Dear Modellers,
I am having difficulty getting modeller to run to completion.
Here is my directory contents, my top and ali files, and an
excerpt from my log file. I have also attached my complete pdb
file and log file. I would greatly appreciate any suggestions
as to how to get this modeller job to run to completion.
My directory contents:
1g2a.atm.old 1g2i_b.pep comppdb monomer.msf
park7-ig2i_b.pair park7.ssearch
1g2i.pdb 1g2i_b.tfa model-monomer.log monomer.ps
park7-ig2i_c.pair xa.nrl3d.list
1g2i_a.pep 1g2i_c.pep model-monomer.top
nm_007262.rsf park7.gap
1g2i_a.tfa 1g2i_c.tfa monomer.ali
np_009193.rsf park7.pdb.netblastp
1g2i_b.pdb 1ga2.atm monomer.list
park7-ig2i_a.pair park7.pep
My top file
# Homology modelling by the MODELLER TOP routine 'model'.
INCLUDE # Include the predefined TOP routines
SET OUTPUT_CONTROL = 1 1 1 1 2 # uncomment to produce a large log
file
SET ALNFILE = 'monomer.ali' # alignment filename
SET KNOWNS = '1ga2' # codes of the templates
SET SEQUENCE = 'prk7' # code of the target
SET ATOM_FILES_DIRECTORY = './:../atom_files' # directories for input atom
files
SET STARTING_MODEL= 1 # index of the first model
SET ENDING_MODEL = 1 # index of the last model
# (determines how many models to
calculate)
CALL ROUTINE = 'model' # do homology modelling
My alignment file
C; alignment
>P1;1ga2
structureX:1ga2:1 : :166 : :Protease:Pyrococcus Horikosh: 2.00:-1.00
---MKVLFLTANEFEDVELIYPYHRLKEEGHEVYIASFE-RGTITGKHGYSVKVDLTFDK
VNPE-EFDALVLPGGRAPERVRLNEKAV--SIARKMFSEGKPVASICHGPQILISAGVLR
GRKGTSYPGIKDDMINAG-VEWVDAEVVVDGNWVSSRVPADLYAWMREFVKLLK------
----------*
>P1;prk7
sequence:prk7:1 : :189 : :park7:human: 2.00:-1.00
MASKRALVILAKGAEEMETVIPVDVMRRAGIKVTVAGLAGKDPVQCSRDVVICPDASLED
AKKEGPYDVVVLPGGNLGAQ-NLSESAAVKEILKEQENRKGLIAAICAGPTALLAHEIGC
GSKVTTHPLAKDKMMNGGHYTYSENRVEKDGLILTSRGPGTSFEFALAIVEALNGKEVAA
QVKAPLVLKD*
The error message
Read the alignment from file : monomer.ali
Total number of alignment positions: 190
# Code #_Res #_Segm PDB_code Name
-------------------------------------------------------------------------------
1 1ga2 166 1 1ga2 Protease
2 prk7 189 1 prk7 park7
TOP_________> 121 107 CHECK_ALIGNMENT
check_a_343_> >> BEGINNING OF COMMAND
openf5__224_> Open 11 OLD SEQUENTIAL ./1ga2.atm
rdpdb___303E> No atoms were read from the specified input PDB file:
1) Possibly because an incorrect/non-existent PDB file is
specified.
2) Possibly because the segment is specified incorrectly
in the
alignment file or by the TOP variable MODEL_SEGMENT. That
is,
the beginning residue number and/or chain id in
MODEL_SEGMENT
may not be found in the input PDB file; MODEL_SEGMENT:
1:
To find out more, switch on maximal output by 'SET
OUTPUT_CONTROL = 1 1 1 1 2'
rdabrk__288W> Protein not accepted: 1
rdabrk__290E> Number of residues in the alignment and pdb files are
different: 166 0
For alignment entry: 1
recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1
The complete log file and pdb file are attached.
Thanks and best wishes,
Rich
--------------------------------------------------------------
Richard A. Friedman, PhD
Associate Research Scientist
Herbert Irving Comprehensive Cancer Center
Oncoinformatics Core
Lecturer
Department of Medical Informatics
Box 95, Room 130BB or P&S 1-420C
Columbia University
630 W. 168th St.
New York, NY 10032
(212)305-6901 (5-6901) (voice)
http://cancercenter.columbia.edu/~friedman/
"You don't have ot do any more work to write a book. You
already wrote a book. Your course notes are a book. I've
seen them lying on the floor of your office. I've seen
course notes used for books on everything from Math to
Origami. Just hand your course notes in. Make sure you
hand in the ones with the apple juice spilled on it."
-Isaac Friedman, age 13
Upon Isaac's attainment of his majority I am discontinuing
the quotes from him.
ATOM 1 N MET A 1 111.527 63.572 14.914 1.00 43.09 N
ATOM 2 CA MET A 1 110.631 62.384 14.894 1.00 40.94 C
ATOM 3 C MET A 1 109.632 62.533 13.749 1.00 39.45 C
ATOM 4 O MET A 1 109.171 63.639 13.462 1.00 33.75 O
ATOM 5 CB MET A 1 109.905 62.275 16.238 1.00 46.28 C
ATOM 6 CG MET A 1 109.101 61.009 16.422 1.00 54.99 C
ATOM 8 CE MET A 1 110.228 59.993 18.743 1.00 61.76 C
ATOM 9 N LYS A 2 109.313 61.426 13.084 1.00 35.85 N
ATOM 10 CA LYS A 2 108.372 61.462 11.970 1.00 35.03 C
ATOM 11 C LYS A 2 106.950 61.158 12.427 1.00 32.69 C
ATOM 12 O LYS A 2 106.661 60.071 12.931 1.00 28.81 O
ATOM 13 CB LYS A 2 108.809 60.486 10.877 1.00 39.76 C
ATOM 14 CG LYS A 2 110.132 60.877 10.231 1.00 47.82 C
ATOM 15 CD LYS A 2 110.437 60.057 8.989 1.00 54.84 C
ATOM 16 CE LYS A 2 110.711 58.606 9.327 1.00 61.43 C
ATOM 17 NZ LYS A 2 111.889 58.455 10.225 1.00 99.94 N
ATOM 18 N VAL A 3 106.067 62.135 12.245 1.00 27.88 N
ATOM 19 CA VAL A 3 104.674 62.009 12.656 1.00 25.09 C
ATOM 20 C VAL A 3 103.740 61.795 11.471 1.00 25.24 C
ATOM 21 O VAL A 3 103.746 62.564 10.507 1.00 23.69 O
ATOM 22 CB VAL A 3 104.227 63.264 13.428 1.00 24.27 C
ATOM 23 CG1 VAL A 3 102.840 63.053 14.020 1.00 22.80 C
ATOM 24 CG2 VAL A 3 105.238 63.580 14.523 1.00 21.67 C
ATOM 25 N LEU A 4 102.933 60.743 11.555 1.00 21.83 N
ATOM 26 CA LEU A 4 101.993 60.410 10.495 1.00 20.54 C
ATOM 27 C LEU A 4 100.575 60.830 10.855 1.00 19.15 C
ATOM 28 O LEU A 4 100.150 60.705 12.003 1.00 17.37 O
ATOM 29 CB LEU A 4 102.013 58.900 10.230 1.00 20.04 C
ATOM 30 CG LEU A 4 101.087 58.378 9.126 1.00 19.46 C
ATOM 31 CD1 LEU A 4 101.599 58.846 7.772 1.00 17.17 C
ATOM 32 CD2 LEU A 4 101.039 56.853 9.167 1.00 17.90 C
ATOM 33 N PHE A 5 99.852 61.341 9.866 1.00 18.95 N
ATOM 34 CA PHE A 5 98.462 61.742 10.056 1.00 19.63 C
ATOM 35 C PHE A 5 97.598 60.841 9.176 1.00 20.06 C
ATOM 36 O PHE A 5 97.895 60.660 7.995 1.00 23.57 O
ATOM 37 CB PHE A 5 98.228 63.198 9.620 1.00 21.77 C
ATOM 38 CG PHE A 5 98.806 64.229 10.551 1.00 22.65 C
ATOM 39 CD1 PHE A 5 100.182 64.357 10.714 1.00 24.45 C
ATOM 40 CD2 PHE A 5 97.968 65.097 11.244 1.00 24.19 C
ATOM 41 CE1 PHE A 5 100.714 65.338 11.553 1.00 25.71 C
ATOM 42 CE2 PHE A 5 98.488 66.081 12.085 1.00 21.76 C
ATOM 43 CZ PHE A 5 99.863 66.203 12.240 1.00 22.04 C
ATOM 44 N LEU A 6 96.544 60.269 9.751 1.00 20.37 N
ATOM 45 CA LEU A 6 95.617 59.433 8.994 1.00 19.36 C
ATOM 46 C LEU A 6 94.337 60.252 8.903 1.00 19.53 C
ATOM 47 O LEU A 6 93.676 60.492 9.913 1.00 18.42 O
ATOM 48 CB LEU A 6 95.340 58.114 9.721 1.00 19.66 C
ATOM 49 CG LEU A 6 96.524 57.158 9.884 1.00 20.37 C
ATOM 50 CD1 LEU A 6 96.076 55.931 10.666 1.00 18.94 C
ATOM 51 CD2 LEU A 6 97.059 56.760 8.519 1.00 19.64 C
ATOM 52 N THR A 7 93.988 60.685 7.696 1.00 19.85 N
ATOM 53 CA THR A 7 92.807 61.513 7.519 1.00 18.72 C
ATOM 54 C THR A 7 92.253 61.403 6.095 1.00 19.87 C
ATOM 55 O THR A 7 92.686 60.548 5.317 1.00 20.45 O
ATOM 56 CB THR A 7 93.161 62.987 7.857 1.00 17.23 C
ATOM 57 OG1 THR A 7 91.988 63.805 7.796 1.00 20.05 O
ATOM 58 CG2 THR A 7 94.205 63.519 6.886 1.00 18.30 C
ATOM 59 N ALA A 8 91.292 62.259 5.759 1.00 18.25 N
ATOM 60 CA ALA A 8 90.680 62.242 4.431 1.00 18.23 C
ATOM 61 C ALA A 8 89.787 63.465 4.249 1.00 20.50 C
ATOM 62 O ALA A 8 89.736 64.329 5.124 1.00 18.39 O
ATOM 63 CB ALA A 8 89.858 60.967 4.259 1.00 17.17 C
ATOM 64 N ASN A 9 89.091 63.539 3.113 1.00 17.06 N
ATOM 65 CA ASN A 9 88.181 64.651 2.845 1.00 18.95 C
ATOM 66 C ASN A 9 87.225 64.801 4.023 1.00 18.31 C
ATOM 67 O ASN A 9 86.849 63.812 4.654 1.00 17.40 O
ATOM 68 CB ASN A 9 87.353 64.384 1.581 1.00 20.09 C
ATOM 69 CG ASN A 9 88.114 64.670 0.298 1.00 20.46 C
ATOM 70 OD1 ASN A 9 87.916 63.991 -0.709 1.00 27.50 O
ATOM 71 ND2 ASN A 9 88.968 65.684 0.319 1.00 16.12 N
ATOM 72 N GLU A 10 86.837 66.040 4.311 1.00 17.93 N
ATOM 73 CA GLU A 10 85.908 66.344 5.401 1.00 18.82 C
ATOM 74 C GLU A 10 86.513 66.250 6.800 1.00 19.21 C
ATOM 75 O GLU A 10 85.799 66.034 7.783 1.00 16.73 O
ATOM 76 CB GLU A 10 84.673 65.442 5.317 1.00 26.08 C
ATOM 77 CG GLU A 10 83.841 65.626 4.053 1.00 34.75 C
ATOM 78 CD GLU A 10 83.075 66.933 4.042 1.00 99.94 C
ATOM 79 OE1 GLU A 10 83.716 68.004 4.021 1.00 99.94 O
ATOM 80 OE2 GLU A 10 81.827 66.886 4.058 1.00 99.94 O
ATOM 81 N PHE A 11 87.829 66.400 6.893 1.00 18.04 N
ATOM 82 CA PHE A 11 88.489 66.389 8.190 1.00 16.85 C
ATOM 83 C PHE A 11 88.159 67.736 8.833 1.00 18.67 C
ATOM 84 O PHE A 11 87.829 68.693 8.124 1.00 13.45 O
ATOM 85 CB PHE A 11 90.007 66.242 8.009 1.00 16.76 C
ATOM 86 CG PHE A 11 90.641 67.341 7.188 1.00 18.85 C
ATOM 87 CD1 PHE A 11 91.022 68.547 7.778 1.00 18.02 C
ATOM 88 CD2 PHE A 11 90.869 67.164 5.826 1.00 16.04 C
ATOM 89 CE1 PHE A 11 91.622 69.559 7.022 1.00 16.46 C
ATOM 90 CE2 PHE A 11 91.467 68.169 5.059 1.00 18.49 C
ATOM 91 CZ PHE A 11 91.845 69.367 5.658 1.00 20.70 C
ATOM 92 N GLU A 12 88.198 67.811 10.162 1.00 15.92 N
ATOM 93 CA GLU A 12 87.936 69.083 10.832 1.00 17.32 C
ATOM 94 C GLU A 12 89.213 69.877 10.602 1.00 17.92 C
ATOM 95 O GLU A 12 90.264 69.553 11.158 1.00 17.38 O
ATOM 96 CB GLU A 12 87.692 68.888 12.330 1.00 19.22 C
ATOM 97 CG GLU A 12 87.591 70.206 13.089 1.00 23.42 C
ATOM 98 CD GLU A 12 86.463 71.083 12.582 1.00 30.84 C
ATOM 99 OE1 GLU A 12 86.504 72.309 12.818 1.00 30.84 O
ATOM 100 OE2 GLU A 12 85.528 70.546 11.954 1.00 33.61 O
ATOM 101 N ASP A 13 89.110 70.912 9.772 1.00 16.39 N
ATOM 102 CA ASP A 13 90.249 71.736 9.381 1.00 15.77 C
ATOM 103 C ASP A 13 91.289 72.061 10.445 1.00 14.93 C
ATOM 104 O ASP A 13 92.453 71.699 10.289 1.00 15.32 O
ATOM 105 CB ASP A 13 89.748 73.030 8.726 1.00 16.26 C
ATOM 106 CG ASP A 13 88.723 72.766 7.636 1.00 17.61 C
ATOM 107 OD1 ASP A 13 87.667 72.180 7.956 1.00 17.88 O
ATOM 108 OD2 ASP A 13 88.969 73.135 6.466 1.00 18.22 O
ATOM 109 N VAL A 14 90.891 72.728 11.525 1.00 13.69 N
ATOM 110 CA VAL A 14 91.863 73.090 12.553 1.00 13.94 C
ATOM 111 C VAL A 14 92.446 71.910 13.330 1.00 17.91 C
ATOM 112 O VAL A 14 93.562 71.996 13.842 1.00 17.08 O
ATOM 113 CB VAL A 14 91.278 74.124 13.550 1.00 13.87 C
ATOM 114 CG1 VAL A 14 90.962 75.422 12.809 1.00 13.29 C
ATOM 115 CG2 VAL A 14 90.026 73.570 14.229 1.00 11.71 C
ATOM 116 N GLU A 15 91.714 70.801 13.404 1.00 15.63 N
ATOM 117 CA GLU A 15 92.217 69.643 14.133 1.00 15.55 C
ATOM 118 C GLU A 15 93.327 68.945 13.369 1.00 18.47 C
ATOM 119 O GLU A 15 94.010 68.075 13.906 1.00 18.29 O
ATOM 120 CB GLU A 15 91.080 68.676 14.450 1.00 15.61 C
ATOM 121 CG GLU A 15 90.000 69.343 15.271 1.00 14.97 C
ATOM 122 CD GLU A 15 88.890 68.405 15.679 1.00 17.94 C
ATOM 123 OE1 GLU A 15 88.755 67.322 15.069 1.00 17.43 O
ATOM 124 OE2 GLU A 15 88.141 68.766 16.608 1.00 21.62 O
ATOM 125 N LEU A 16 93.503 69.325 12.108 1.00 16.37 N
ATOM 126 CA LEU A 16 94.574 68.763 11.303 1.00 16.03 C
ATOM 127 C LEU A 16 95.684 69.803 11.191 1.00 17.43 C
ATOM 128 O LEU A 16 96.848 69.514 11.458 1.00 17.41 O
ATOM 129 CB LEU A 16 94.070 68.382 9.904 1.00 17.02 C
ATOM 130 CG LEU A 16 95.138 68.077 8.842 1.00 23.35 C
ATOM 131 CD1 LEU A 16 96.183 67.146 9.413 1.00 28.67 C
ATOM 132 CD2 LEU A 16 94.488 67.451 7.607 1.00 22.73 C
ATOM 133 N ILE A 17 95.311 71.024 10.815 1.00 16.29 N
ATOM 134 CA ILE A 17 96.278 72.107 10.643 1.00 16.62 C
ATOM 135 C ILE A 17 97.024 72.528 11.912 1.00 14.32 C
ATOM 136 O ILE A 17 98.224 72.798 11.862 1.00 14.73 O
ATOM 137 CB ILE A 17 95.590 73.349 10.004 1.00 18.42 C
ATOM 138 CG1 ILE A 17 95.118 72.992 8.589 1.00 17.63 C
ATOM 139 CG2 ILE A 17 96.559 74.532 9.952 1.00 14.82 C
ATOM 140 CD1 ILE A 17 94.270 74.060 7.920 1.00 19.53 C
ATOM 141 N TYR A 18 96.332 72.581 13.047 1.00 15.17 N
ATOM 142 CA TYR A 18 96.985 72.986 14.291 1.00 18.04 C
ATOM 143 C TYR A 18 98.127 72.050 14.695 1.00 17.90 C
ATOM 144 O TYR A 18 99.262 72.492 14.874 1.00 17.37 O
ATOM 145 CB TYR A 18 95.978 73.078 15.446 1.00 15.22 C
ATOM 146 CG TYR A 18 96.593 73.649 16.706 1.00 20.44 C
ATOM 147 CD1 TYR A 18 96.809 75.022 16.837 1.00 20.33 C
ATOM 148 CD2 TYR A 18 97.022 72.813 17.741 1.00 19.00 C
ATOM 149 CE1 TYR A 18 97.437 75.553 17.959 1.00 19.54 C
ATOM 150 CE2 TYR A 18 97.657 73.333 18.872 1.00 20.16 C
ATOM 151 CZ TYR A 18 97.862 74.705 18.972 1.00 23.34 C
ATOM 152 OH TYR A 18 98.500 75.233 20.074 1.00 18.34 O
ATOM 153 N PRO A 19 97.846 70.743 14.850 1.00 18.73 N
ATOM 154 CA PRO A 19 98.923 69.825 15.238 1.00 17.80 C
ATOM 155 C PRO A 19 100.019 69.733 14.186 1.00 18.80 C
ATOM 156 O PRO A 19 101.188 69.511 14.509 1.00 19.16 O
ATOM 157 CB PRO A 19 98.191 68.496 15.442 1.00 16.59 C
ATOM 158 CG PRO A 19 97.039 68.594 14.490 1.00 18.08 C
ATOM 159 CD PRO A 19 96.571 70.018 14.700 1.00 16.50 C
ATOM 160 N TYR A 20 99.636 69.901 12.925 1.00 17.33 N
ATOM 161 CA TYR A 20 100.591 69.843 11.830 1.00 16.24 C
ATOM 162 C TYR A 20 101.687 70.885 12.047 1.00 18.03 C
ATOM 163 O TYR A 20 102.880 70.564 12.045 1.00 17.11 O
ATOM 164 CB TYR A 20 99.868 70.092 10.505 1.00 16.01 C
ATOM 165 CG TYR A 20 100.754 70.017 9.283 1.00 21.89 C
ATOM 166 CD1 TYR A 20 101.478 71.127 8.851 1.00 24.90 C
ATOM 167 CD2 TYR A 20 100.870 68.832 8.556 1.00 23.15 C
ATOM 168 CE1 TYR A 20 102.295 71.061 7.723 1.00 27.70 C
ATOM 169 CE2 TYR A 20 101.683 68.754 7.428 1.00 26.33 C
ATOM 170 CZ TYR A 20 102.394 69.871 7.017 1.00 27.74 C
ATOM 171 OH TYR A 20 103.209 69.797 5.909 1.00 29.57 O
ATOM 172 N HIS A 21 101.284 72.135 12.246 1.00 17.86 N
ATOM 173 CA HIS A 21 102.252 73.198 12.464 1.00 18.27 C
ATOM 174 C HIS A 21 102.885 73.161 13.849 1.00 18.97 C
ATOM 175 O HIS A 21 104.083 73.408 13.989 1.00 19.36 O
ATOM 176 CB HIS A 21 101.614 74.569 12.222 1.00 17.81 C
ATOM 177 CG HIS A 21 101.470 74.908 10.773 1.00 19.67 C
ATOM 178 ND1 HIS A 21 100.331 74.622 10.049 1.00 22.83 N
ATOM 179 CD2 HIS A 21 102.350 75.443 9.894 1.00 15.41 C
ATOM 180 CE1 HIS A 21 100.518 74.964 8.786 1.00 16.68 C
ATOM 181 NE2 HIS A 21 101.735 75.465 8.666 1.00 21.94 N
ATOM 182 N ARG A 22 102.094 72.848 14.871 1.00 16.93 N
ATOM 183 CA ARG A 22 102.627 72.805 16.227 1.00 18.89 C
ATOM 184 C ARG A 22 103.787 71.824 16.329 1.00 21.92 C
ATOM 185 O ARG A 22 104.769 72.085 17.027 1.00 24.07 O
ATOM 186 CB ARG A 22 101.540 72.416 17.232 1.00 17.36 C
ATOM 187 CG ARG A 22 102.041 72.367 18.676 1.00 21.63 C
ATOM 188 CD ARG A 22 102.384 73.756 19.197 1.00 22.11 C
ATOM 189 NE ARG A 22 103.066 73.727 20.492 1.00 22.80 N
ATOM 190 CZ ARG A 22 104.360 73.465 20.656 1.00 20.42 C
ATOM 191 NH1 ARG A 22 105.129 73.207 19.607 1.00 22.03 N
ATOM 192 NH2 ARG A 22 104.888 73.470 21.873 1.00 19.72 N
ATOM 193 N LEU A 23 103.678 70.697 15.630 1.00 21.64 N
ATOM 194 CA LEU A 23 104.734 69.694 15.657 1.00 23.47 C
ATOM 195 C LEU A 23 105.908 70.097 14.767 1.00 24.04 C
ATOM 196 O LEU A 23 107.062 69.809 15.092 1.00 21.39 O
ATOM 197 CB LEU A 23 104.176 68.325 15.242 1.00 25.51 C
ATOM 198 CG LEU A 23 103.121 67.763 16.206 1.00 30.57 C
ATOM 199 CD1 LEU A 23 102.535 66.476 15.651 1.00 25.70 C
ATOM 200 CD2 LEU A 23 103.749 67.518 17.574 1.00 29.31 C
ATOM 201 N LYS A 24 105.625 70.765 13.650 1.00 22.34 N
ATOM 202 CA LYS A 24 106.696 71.215 12.764 1.00 23.13 C
ATOM 203 C LYS A 24 107.561 72.225 13.509 1.00 22.54 C
ATOM 204 O LYS A 24 108.766 72.317 13.275 1.00 22.51 O
ATOM 205 CB LYS A 24 106.145 71.884 11.501 1.00 25.63 C
ATOM 206 CG LYS A 24 105.639 70.928 10.445 1.00 28.38 C
ATOM 207 CD LYS A 24 105.442 71.636 9.108 1.00 30.26 C
ATOM 208 CE LYS A 24 106.758 72.188 8.563 1.00 27.22 C
ATOM 209 NZ LYS A 24 106.608 72.718 7.174 1.00 27.29 N
ATOM 210 N GLU A 25 106.935 72.990 14.397 1.00 22.23 N
ATOM 211 CA GLU A 25 107.663 73.983 15.175 1.00 23.42 C
ATOM 212 C GLU A 25 108.797 73.304 15.939 1.00 25.68 C
ATOM 213 O GLU A 25 109.905 73.832 16.026 1.00 23.76 O
ATOM 214 CB GLU A 25 106.730 74.682 16.170 1.00 24.97 C
ATOM 215 CG GLU A 25 107.483 75.511 17.207 1.00 29.07 C
ATOM 216 CD GLU A 25 106.584 76.150 18.247 1.00 31.35 C
ATOM 217 OE1 GLU A 25 107.119 76.596 19.285 1.00 30.65 O
ATOM 218 OE2 GLU A 25 105.355 76.218 18.033 1.00 29.37 O
ATOM 219 N GLU A 26 108.508 72.127 16.484 1.00 26.42 N
ATOM 220 CA GLU A 26 109.483 71.369 17.259 1.00 27.92 C
ATOM 221 C GLU A 26 110.578 70.724 16.418 1.00 28.35 C
ATOM 222 O GLU A 26 111.575 70.245 16.955 1.00 29.66 O
ATOM 223 CB GLU A 26 108.762 70.298 18.082 1.00 27.29 C
ATOM 224 CG GLU A 26 107.799 70.882 19.095 1.00 27.90 C
ATOM 225 CD GLU A 26 108.505 71.762 20.107 1.00 29.45 C
ATOM 226 OE1 GLU A 26 107.852 72.652 20.691 1.00 32.01 O
ATOM 227 OE2 GLU A 26 109.716 71.554 20.325 1.00 32.04 O
ATOM 228 N GLY A 27 110.397 70.710 15.102 1.00 27.83 N
ATOM 229 CA GLY A 27 111.398 70.111 14.239 1.00 25.09 C
ATOM 230 C GLY A 27 111.009 68.725 13.758 1.00 25.34 C
ATOM 231 O GLY A 27 111.782 68.052 13.077 1.00 23.59 O
ATOM 232 N HIS A 28 109.807 68.292 14.118 1.00 25.26 N
ATOM 233 CA HIS A 28 109.319 66.984 13.703 1.00 25.41 C
ATOM 234 C HIS A 28 108.873 67.030 12.251 1.00 26.35 C
ATOM 235 O HIS A 28 108.368 68.049 11.781 1.00 27.35 O
ATOM 236 CB HIS A 28 108.135 66.561 14.572 1.00 23.02 C
ATOM 237 CG HIS A 28 108.486 66.350 16.009 1.00 25.04 C
ATOM 238 ND1 HIS A 28 107.810 66.966 17.039 1.00 25.14 N
ATOM 239 CD2 HIS A 28 109.431 65.574 16.589 1.00 22.81 C
ATOM 240 CE1 HIS A 28 108.322 66.578 18.193 1.00 26.46 C
ATOM 241 NE2 HIS A 28 109.307 65.732 17.947 1.00 27.32 N
ATOM 242 N GLU A 29 109.073 65.929 11.536 1.00 25.87 N
ATOM 243 CA GLU A 29 108.646 65.851 10.150 1.00 28.12 C
ATOM 244 C GLU A 29 107.209 65.342 10.190 1.00 27.19 C
ATOM 245 O GLU A 29 106.908 64.368 10.881 1.00 26.52 O
ATOM 246 CB GLU A 29 109.530 64.879 9.371 1.00 30.36 C
ATOM 247 CG GLU A 29 111.000 65.255 9.372 1.00 37.49 C
ATOM 248 CD GLU A 29 111.854 64.256 8.622 1.00 43.27 C
ATOM 249 OE1 GLU A 29 111.696 64.144 7.388 1.00 70.54 O
ATOM 250 OE2 GLU A 29 112.681 63.580 9.268 1.00 70.51 O
ATOM 251 N VAL A 30 106.323 66.013 9.464 1.00 24.17 N
ATOM 252 CA VAL A 30 104.916 65.635 9.438 1.00 23.84 C
ATOM 253 C VAL A 30 104.498 65.124 8.066 1.00 24.00 C
ATOM 254 O VAL A 30 104.889 65.685 7.043 1.00 25.57 O
ATOM 255 CB VAL A 30 104.034 66.834 9.837 1.00 23.48 C
ATOM 256 CG1 VAL A 30 104.230 67.147 11.310 1.00 20.09 C
ATOM 257 CG2 VAL A 30 104.413 68.054 9.006 1.00 25.41 C
ATOM 258 N TYR A 31 103.707 64.054 8.052 1.00 22.25 N
ATOM 259 CA TYR A 31 103.242 63.455 6.803 1.00 22.52 C
ATOM 260 C TYR A 31 101.736 63.234 6.798 1.00 20.84 C
ATOM 261 O TYR A 31 101.168 62.755 7.778 1.00 20.25 O
ATOM 262 CB TYR A 31 103.929 62.108 6.568 1.00 24.16 C
ATOM 263 CG TYR A 31 105.439 62.166 6.562 1.00 28.89 C
ATOM 264 CD1 TYR A 31 106.156 62.320 7.748 1.00 27.25 C
ATOM 265 CD2 TYR A 31 106.152 62.067 5.367 1.00 28.49 C
ATOM 266 CE1 TYR A 31 107.547 62.370 7.747 1.00 29.04 C
ATOM 267 CE2 TYR A 31 107.546 62.118 5.354 1.00 30.97 C
ATOM 268 CZ TYR A 31 108.235 62.269 6.546 1.00 31.64 C
ATOM 269 OH TYR A 31 109.610 62.318 6.538 1.00 35.39 O
ATOM 270 N ILE A 32 101.095 63.566 5.683 1.00 18.94 N
ATOM 271 CA ILE A 32 99.652 63.392 5.559 1.00 20.05 C
ATOM 272 C ILE A 32 99.342 62.181 4.687 1.00 21.01 C
ATOM 273 O ILE A 32 99.707 62.146 3.511 1.00 22.28 O
ATOM 274 CB ILE A 32 98.984 64.631 4.917 1.00 20.61 C
ATOM 275 CG1 ILE A 32 99.284 65.884 5.746 1.00 21.57 C
ATOM 276 CG2 ILE A 32 97.479 64.411 4.795 1.00 18.85 C
ATOM 277 CD1 ILE A 32 98.768 65.832 7.166 1.00 23.57 C
ATOM 278 N ALA A 33 98.676 61.188 5.268 1.00 20.12 N
ATOM 279 CA ALA A 33 98.303 59.985 4.532 1.00 20.68 C
ATOM 280 C ALA A 33 96.792 59.958 4.355 1.00 19.06 C
ATOM 281 O ALA A 33 96.047 60.316 5.267 1.00 19.98 O
ATOM 282 CB ALA A 33 98.764 58.732 5.285 1.00 17.90 C
ATOM 289 N PHE A 35 93.444 58.273 1.354 1.00 21.52 N
ATOM 290 CA PHE A 35 93.101 57.269 0.351 1.00 21.39 C
ATOM 291 C PHE A 35 93.881 57.387 -0.955 1.00 25.40 C
ATOM 292 O PHE A 35 94.381 56.390 -1.473 1.00 24.82 O
ATOM 293 CB PHE A 35 91.607 57.322 0.025 1.00 20.30 C
ATOM 294 CG PHE A 35 90.715 56.962 1.179 1.00 21.89 C
ATOM 295 CD1 PHE A 35 90.201 57.949 2.013 1.00 19.60 C
ATOM 296 CD2 PHE A 35 90.369 55.634 1.417 1.00 19.93 C
ATOM 297 CE1 PHE A 35 89.349 57.622 3.068 1.00 20.43 C
ATOM 298 CE2 PHE A 35 89.519 55.293 2.467 1.00 20.73 C
ATOM 299 CZ PHE A 35 89.007 56.291 3.295 1.00 20.77 C
ATOM 300 N GLU A 36 93.979 58.599 -1.489 1.00 25.33 N
ATOM 301 CA GLU A 36 94.677 58.806 -2.752 1.00 31.92 C
ATOM 302 C GLU A 36 95.593 60.021 -2.743 1.00 32.72 C
ATOM 303 O GLU A 36 95.514 60.873 -1.857 1.00 32.59 O
ATOM 304 CB GLU A 36 93.661 58.969 -3.884 1.00 34.23 C
ATOM 305 CG GLU A 36 92.636 57.855 -3.971 1.00 43.93 C
ATOM 306 CD GLU A 36 91.647 58.067 -5.099 1.00 46.91 C
ATOM 307 OE1 GLU A 36 90.994 59.132 -5.128 1.00 65.24 O
ATOM 308 OE2 GLU A 36 91.522 57.168 -5.958 1.00 99.54 O
ATOM 309 N ARG A 37 96.462 60.091 -3.745 1.00 34.41 N
ATOM 310 CA ARG A 37 97.382 61.210 -3.878 1.00 36.02 C
ATOM 311 C ARG A 37 96.593 62.453 -4.262 1.00 32.70 C
ATOM 312 O ARG A 37 95.390 62.384 -4.513 1.00 33.19 O
ATOM 313 CB ARG A 37 98.435 60.913 -4.949 1.00 41.76 C
ATOM 314 CG ARG A 37 99.567 60.010 -4.485 1.00 50.07 C
ATOM 315 CD ARG A 37 100.317 60.644 -3.322 1.00 58.14 C
ATOM 316 NE ARG A 37 101.565 59.950 -3.019 1.00 67.48 N
ATOM 317 CZ ARG A 37 102.612 59.902 -3.837 1.00 99.46 C
ATOM 318 NH1 ARG A 37 102.566 60.510 -5.015 1.00 99.27 N
ATOM 319 NH2 ARG A 37 103.709 59.249 -3.476 1.00 99.74 N
ATOM 320 N GLY A 38 97.276 63.589 -4.315 1.00 30.72 N
ATOM 321 CA GLY A 38 96.606 64.826 -4.661 1.00 28.94 C
ATOM 322 C GLY A 38 96.327 65.632 -3.411 1.00 25.81 C
ATOM 323 O GLY A 38 97.215 65.820 -2.579 1.00 25.73 O
ATOM 324 N THR A 39 95.093 66.097 -3.263 1.00 23.05 N
ATOM 325 CA THR A 39 94.732 66.888 -2.095 1.00 23.72 C
ATOM 326 C THR A 39 93.401 66.451 -1.507 1.00 24.74 C
ATOM 327 O THR A 39 92.621 65.748 -2.150 1.00 24.16 O
ATOM 328 CB THR A 39 94.618 68.389 -2.446 1.00 25.79 C
ATOM 329 OG1 THR A 39 93.512 68.586 -3.338 1.00 28.32 O
ATOM 330 CG2 THR A 39 95.892 68.883 -3.120 1.00 27.04 C
ATOM 331 N ILE A 40 93.163 66.861 -0.266 1.00 23.39 N
ATOM 332 CA ILE A 40 91.917 66.573 0.426 1.00 20.61 C
ATOM 333 C ILE A 40 91.435 67.920 0.936 1.00 19.78 C
ATOM 334 O ILE A 40 92.232 68.846 1.099 1.00 19.38 O
ATOM 335 CB ILE A 40 92.113 65.586 1.608 1.00 19.30 C
ATOM 336 CG1 ILE A 40 93.344 65.976 2.426 1.00 19.67 C
ATOM 337 CG2 ILE A 40 92.237 64.160 1.075 1.00 18.99 C
ATOM 338 CD1 ILE A 40 93.575 65.096 3.651 1.00 23.07 C
ATOM 339 N THR A 41 90.137 68.035 1.184 1.00 19.43 N
ATOM 340 CA THR A 41 89.566 69.298 1.633 1.00 19.96 C
ATOM 341 C THR A 41 88.794 69.152 2.932 1.00 20.21 C
ATOM 342 O THR A 41 87.976 68.245 3.075 1.00 20.44 O
ATOM 343 CB THR A 41 88.622 69.858 0.553 1.00 22.00 C
ATOM 344 OG1 THR A 41 89.307 69.872 -0.705 1.00 22.12 O
ATOM 345 CG2 THR A 41 88.178 71.269 0.904 1.00 22.64 C
ATOM 346 N GLY A 42 89.047 70.060 3.871 1.00 19.41 N
ATOM 347 CA GLY A 42 88.370 70.014 5.156 1.00 17.85 C
ATOM 348 C GLY A 42 86.917 70.422 5.054 1.00 18.72 C
ATOM 349 O GLY A 42 86.482 70.925 4.021 1.00 19.71 O
ATOM 350 N LYS A 43 86.157 70.216 6.124 1.00 17.00 N
ATOM 351 CA LYS A 43 84.753 70.575 6.098 1.00 17.97 C
ATOM 352 C LYS A 43 84.578 72.082 5.931 1.00 20.23 C
ATOM 353 O LYS A 43 83.548 72.540 5.441 1.00 18.44 O
ATOM 354 CB LYS A 43 84.054 70.105 7.375 1.00 21.01 C
ATOM 355 CG LYS A 43 84.512 70.795 8.640 1.00 31.18 C
ATOM 356 CD LYS A 43 83.522 70.581 9.786 1.00 38.71 C
ATOM 357 CE LYS A 43 83.452 69.125 10.227 1.00 39.66 C
ATOM 358 NZ LYS A 43 82.932 68.221 9.164 1.00 46.31 N
ATOM 359 N HIS A 44 85.590 72.849 6.330 1.00 15.89 N
ATOM 360 CA HIS A 44 85.534 74.305 6.217 1.00 18.88 C
ATOM 361 C HIS A 44 86.180 74.858 4.949 1.00 19.84 C
ATOM 362 O HIS A 44 86.261 76.074 4.768 1.00 20.22 O
ATOM 363 CB HIS A 44 86.174 74.946 7.446 1.00 15.13 C
ATOM 364 CG HIS A 44 85.334 74.834 8.677 1.00 18.45 C
ATOM 365 ND1 HIS A 44 84.328 75.727 8.974 1.00 23.94 N
ATOM 366 CD2 HIS A 44 85.314 73.905 9.661 1.00 21.13 C
ATOM 367 CE1 HIS A 44 83.724 75.353 10.088 1.00 22.30 C
ATOM 368 NE2 HIS A 44 84.303 74.249 10.525 1.00 27.18 N
ATOM 369 N GLY A 45 86.655 73.974 4.079 1.00 20.02 N
ATOM 370 CA GLY A 45 87.239 74.439 2.833 1.00 19.48 C
ATOM 371 C GLY A 45 88.748 74.505 2.705 1.00 19.96 C
ATOM 372 O GLY A 45 89.249 74.801 1.621 1.00 21.05 O
ATOM 373 N TYR A 46 89.488 74.258 3.780 1.00 16.92 N
ATOM 374 CA TYR A 46 90.940 74.292 3.667 1.00 18.75 C
ATOM 375 C TYR A 46 91.411 73.078 2.884 1.00 20.64 C
ATOM 376 O TYR A 46 90.936 71.966 3.100 1.00 20.76 O
ATOM 377 CB TYR A 46 91.615 74.299 5.041 1.00 16.24 C
ATOM 378 CG TYR A 46 91.645 75.661 5.695 1.00 15.48 C
ATOM 379 CD1 TYR A 46 90.655 76.048 6.591 1.00 18.98 C
ATOM 380 CD2 TYR A 46 92.663 76.569 5.402 1.00 18.77 C
ATOM 381 CE1 TYR A 46 90.675 77.305 7.188 1.00 17.23 C
ATOM 382 CE2 TYR A 46 92.692 77.831 5.990 1.00 19.80 C
ATOM 383 CZ TYR A 46 91.696 78.189 6.883 1.00 19.75 C
ATOM 384 OH TYR A 46 91.724 79.424 7.484 1.00 18.43 O
ATOM 391 N VAL A 48 94.606 70.610 1.712 1.00 25.26 N
ATOM 392 CA VAL A 48 95.946 70.183 2.092 1.00 26.29 C
ATOM 393 C VAL A 48 96.387 69.072 1.152 1.00 26.24 C
ATOM 394 O VAL A 48 95.560 68.312 0.648 1.00 25.32 O
ATOM 395 CB VAL A 48 95.992 69.667 3.552 1.00 30.58 C
ATOM 396 CG1 VAL A 48 95.374 70.697 4.491 1.00 26.89 C
ATOM 397 CG2 VAL A 48 95.273 68.344 3.662 1.00 29.92 C
ATOM 398 N LYS A 49 97.689 68.982 0.910 1.00 24.91 N
ATOM 399 CA LYS A 49 98.206 67.959 0.017 1.00 30.27 C
ATOM 400 C LYS A 49 98.481 66.647 0.739 1.00 27.09 C
ATOM 401 O LYS A 49 98.922 66.632 1.887 1.00 27.23 O
ATOM 402 CB LYS A 49 99.484 68.452 -0.669 1.00 37.55 C
ATOM 403 CG LYS A 49 100.563 68.931 0.284 1.00 48.65 C
ATOM 404 CD LYS A 49 101.787 69.424 -0.475 1.00 90.40 C
ATOM 405 CE LYS A 49 102.803 70.061 0.461 1.00 99.23 C
ATOM 406 NZ LYS A 49 102.248 71.262 1.147 1.00 99.32 N
ATOM 407 N VAL A 50 98.197 65.545 0.055 1.00 26.59 N
ATOM 408 CA VAL A 50 98.426 64.216 0.601 1.00 23.18 C
ATOM 409 C VAL A 50 99.867 63.844 0.273 1.00 24.52 C
ATOM 410 O VAL A 50 100.302 63.994 -0.868 1.00 25.31 O
ATOM 411 CB VAL A 50 97.470 63.186 -0.042 1.00 23.70 C
ATOM 412 CG1 VAL A 50 97.794 61.781 0.449 1.00 21.17 C
ATOM 413 CG2 VAL A 50 96.033 63.547 0.289 1.00 21.10 C
ATOM 414 N ASP A 51 100.610 63.374 1.270 1.00 21.58 N
ATOM 415 CA ASP A 51 102.000 62.994 1.052 1.00 24.76 C
ATOM 416 C ASP A 51 102.116 61.562 0.545 1.00 26.43 C
ATOM 417 O ASP A 51 102.980 61.253 -0.275 1.00 26.02 O
ATOM 418 CB ASP A 51 102.802 63.167 2.342 1.00 25.47 C
ATOM 419 CG ASP A 51 102.958 64.623 2.732 1.00 27.74 C
ATOM 420 OD1 ASP A 51 103.579 65.373 1.953 1.00 27.20 O
ATOM 421 OD2 ASP A 51 102.457 65.018 3.806 1.00 27.58 O
ATOM 422 N LEU A 52 101.246 60.686 1.035 1.00 25.24 N
ATOM 423 CA LEU A 52 101.255 59.297 0.597 1.00 27.81 C
ATOM 424 C LEU A 52 99.917 58.639 0.896 1.00 25.82 C
ATOM 425 O LEU A 52 99.154 59.110 1.742 1.00 25.84 O
ATOM 426 CB LEU A 52 102.387 58.513 1.274 1.00 27.40 C
ATOM 427 CG LEU A 52 102.314 58.203 2.772 1.00 29.38 C
ATOM 428 CD1 LEU A 52 103.454 57.260 3.137 1.00 29.91 C
ATOM 429 CD2 LEU A 52 102.400 59.484 3.589 1.00 30.48 C
ATOM 430 N THR A 53 99.632 57.555 0.185 1.00 25.26 N
ATOM 431 CA THR A 53 98.381 56.832 0.368 1.00 25.32 C
ATOM 432 C THR A 53 98.515 55.823 1.500 1.00 24.89 C
ATOM 433 O THR A 53 99.624 55.472 1.904 1.00 25.77 O
ATOM 434 CB THR A 53 97.989 56.069 -0.911 1.00 26.42 C
ATOM 435 OG1 THR A 53 99.000 55.099 -1.211 1.00 28.27 O
ATOM 436 CG2 THR A 53 97.849 57.028 -2.087 1.00 25.50 C
ATOM 437 N PHE A 54 97.378 55.364 2.012 1.00 24.30 N
ATOM 438 CA PHE A 54 97.367 54.379 3.085 1.00 24.01 C
ATOM 439 C PHE A 54 98.154 53.138 2.657 1.00 27.02 C
ATOM 440 O PHE A 54 98.944 52.595 3.427 1.00 27.31 O
ATOM 441 CB PHE A 54 95.922 53.979 3.412 1.00 21.54 C
ATOM 442 CG PHE A 54 95.084 55.103 3.963 1.00 18.15 C
ATOM 443 CD1 PHE A 54 93.744 55.226 3.604 1.00 17.86 C
ATOM 444 CD2 PHE A 54 95.623 56.020 4.860 1.00 17.75 C
ATOM 445 CE1 PHE A 54 92.952 56.248 4.134 1.00 18.33 C
ATOM 446 CE2 PHE A 54 94.839 57.045 5.397 1.00 19.37 C
ATOM 447 CZ PHE A 54 93.503 57.158 5.033 1.00 16.01 C
ATOM 448 N ASP A 55 97.939 52.704 1.419 1.00 29.81 N
ATOM 449 CA ASP A 55 98.606 51.518 0.889 1.00 32.14 C
ATOM 450 C ASP A 55 100.128 51.598 0.855 1.00 33.39 C
ATOM 451 O ASP A 55 100.805 50.581 0.988 1.00 33.79 O
ATOM 452 CB ASP A 55 98.092 51.211 -0.520 1.00 35.56 C
ATOM 453 CG ASP A 55 96.620 50.844 -0.538 1.00 43.79 C
ATOM 454 OD1 ASP A 55 96.231 49.901 0.183 1.00 98.96 O
ATOM 455 OD2 ASP A 55 95.852 51.497 -1.276 1.00 99.81 O
ATOM 456 N LYS A 56 100.665 52.800 0.680 1.00 32.85 N
ATOM 457 CA LYS A 56 102.113 52.981 0.612 1.00 34.98 C
ATOM 458 C LYS A 56 102.766 53.215 1.971 1.00 33.25 C
ATOM 459 O LYS A 56 103.988 53.318 2.069 1.00 32.99 O
ATOM 460 CB LYS A 56 102.439 54.148 -0.323 1.00 39.21 C
ATOM 461 CG LYS A 56 101.885 53.970 -1.729 1.00 48.71 C
ATOM 462 CD LYS A 56 101.996 55.247 -2.547 1.00 99.04 C
ATOM 463 CE LYS A 56 101.319 55.089 -3.901 1.00 99.08 C
ATOM 464 NZ LYS A 56 101.356 56.344 -4.699 1.00 99.29 N
ATOM 465 N VAL A 57 101.956 53.288 3.021 1.00 31.47 N
ATOM 466 CA VAL A 57 102.482 53.522 4.361 1.00 29.15 C
ATOM 467 C VAL A 57 103.042 52.278 5.042 1.00 31.03 C
ATOM 468 O VAL A 57 102.418 51.217 5.035 1.00 29.29 O
ATOM 469 CB VAL A 57 101.398 54.113 5.297 1.00 28.59 C
ATOM 470 CG1 VAL A 57 101.925 54.187 6.728 1.00 24.38 C
ATOM 471 CG2 VAL A 57 100.987 55.496 4.814 1.00 27.71 C
ATOM 472 N ASN A 58 104.231 52.419 5.618 1.00 30.57 N
ATOM 473 CA ASN A 58 104.856 51.335 6.363 1.00 31.15 C
ATOM 474 C ASN A 58 104.898 51.869 7.789 1.00 28.68 C
ATOM 475 O ASN A 58 105.678 52.768 8.095 1.00 29.52 O
ATOM 476 CB ASN A 58 106.282 51.065 5.885 1.00 33.70 C
ATOM 477 CG ASN A 58 106.897 49.846 6.555 1.00 37.99 C
ATOM 478 OD1 ASN A 58 106.682 49.599 7.745 1.00 39.08 O
ATOM 479 ND2 ASN A 58 107.673 49.082 5.797 1.00 42.82 N
ATOM 480 N PRO A 59 104.051 51.328 8.675 1.00 30.04 N
ATOM 481 CA PRO A 59 103.974 51.748 10.079 1.00 32.14 C
ATOM 482 C PRO A 59 105.332 51.851 10.766 1.00 33.34 C
ATOM 483 O PRO A 59 105.541 52.709 11.626 1.00 32.97 O
ATOM 484 CB PRO A 59 103.098 50.671 10.711 1.00 33.55 C
ATOM 485 CG PRO A 59 102.212 50.254 9.581 1.00 31.13 C
ATOM 486 CD PRO A 59 103.179 50.166 8.433 1.00 30.45 C
ATOM 487 N GLU A 60 106.250 50.975 10.376 1.00 34.66 N
ATOM 488 CA GLU A 60 107.581 50.944 10.966 1.00 37.38 C
ATOM 489 C GLU A 60 108.439 52.151 10.607 1.00 36.22 C
ATOM 490 O GLU A 60 109.437 52.426 11.271 1.00 35.05 O
ATOM 491 CB GLU A 60 108.298 49.657 10.551 1.00 40.24 C
ATOM 492 CG GLU A 60 107.498 48.393 10.841 1.00 99.20 C
ATOM 493 CD GLU A 60 107.123 48.251 12.307 1.00 99.81 C
ATOM 494 OE1 GLU A 60 106.386 47.300 12.640 1.00 99.45 O
ATOM 495 OE2 GLU A 60 107.562 49.083 13.128 1.00 99.81 O
ATOM 496 N GLU A 61 108.052 52.877 9.564 1.00 36.83 N
ATOM 497 CA GLU A 61 108.817 54.046 9.149 1.00 37.49 C
ATOM 498 C GLU A 61 108.389 55.329 9.856 1.00 35.57 C
ATOM 499 O GLU A 61 108.965 56.388 9.618 1.00 35.82 O
ATOM 500 CB GLU A 61 108.718 54.236 7.634 1.00 39.79 C
ATOM 501 CG GLU A 61 109.320 53.091 6.835 1.00 49.00 C
ATOM 502 CD GLU A 61 109.325 53.360 5.345 1.00 99.33 C
ATOM 503 OE1 GLU A 61 108.237 53.576 4.774 1.00 99.68 O
ATOM 504 OE2 GLU A 61 110.420 53.354 4.745 1.00 99.11 O
ATOM 505 N PHE A 62 107.386 55.238 10.724 1.00 32.10 N
ATOM 506 CA PHE A 62 106.917 56.414 11.446 1.00 30.36 C
ATOM 507 C PHE A 62 106.999 56.221 12.954 1.00 29.74 C
ATOM 508 O PHE A 62 106.912 55.098 13.449 1.00 29.96 O
ATOM 509 CB PHE A 62 105.493 56.768 11.005 1.00 29.16 C
ATOM 510 CG PHE A 62 105.392 57.098 9.543 1.00 25.70 C
ATOM 511 CD1 PHE A 62 105.212 56.092 8.600 1.00 24.53 C
ATOM 512 CD2 PHE A 62 105.548 58.409 9.101 1.00 27.95 C
ATOM 513 CE1 PHE A 62 105.193 56.383 7.238 1.00 26.82 C
ATOM 514 CE2 PHE A 62 105.531 58.712 7.740 1.00 24.25 C
ATOM 515 CZ PHE A 62 105.354 57.697 6.807 1.00 23.47 C
ATOM 516 N ASP A 63 107.165 57.324 13.681 1.00 27.87 N
ATOM 517 CA ASP A 63 107.316 57.269 15.130 1.00 26.07 C
ATOM 518 C ASP A 63 106.117 57.713 15.956 1.00 27.14 C
ATOM 519 O ASP A 63 106.003 57.356 17.133 1.00 24.28 O
ATOM 520 CB ASP A 63 108.531 58.102 15.535 1.00 29.66 C
ATOM 521 CG ASP A 63 109.725 57.855 14.638 1.00 32.18 C
ATOM 522 OD1 ASP A 63 110.173 56.692 14.561 1.00 28.98 O
ATOM 523 OD2 ASP A 63 110.211 58.819 14.005 1.00 32.15 O
ATOM 524 N ALA A 64 105.228 58.499 15.358 1.00 22.64 N
ATOM 525 CA ALA A 64 104.056 58.979 16.080 1.00 21.05 C
ATOM 526 C ALA A 64 102.861 59.086 15.143 1.00 20.55 C
ATOM 527 O ALA A 64 103.024 59.176 13.925 1.00 21.66 O
ATOM 528 CB ALA A 64 104.354 60.328 16.722 1.00 19.76 C
ATOM 529 N LEU A 65 101.663 59.081 15.716 1.00 20.06 N
ATOM 530 CA LEU A 65 100.441 59.135 14.924 1.00 19.29 C
ATOM 531 C LEU A 65 99.456 60.178 15.436 1.00 18.47 C
ATOM 532 O LEU A 65 99.260 60.324 16.643 1.00 20.00 O
ATOM 533 CB LEU A 65 99.772 57.754 14.934 1.00 17.75 C
ATOM 534 CG LEU A 65 98.454 57.551 14.180 1.00 18.77 C
ATOM 535 CD1 LEU A 65 98.691 57.645 12.676 1.00 18.11 C
ATOM 536 CD2 LEU A 65 97.878 56.181 14.538 1.00 18.04 C
ATOM 537 N VAL A 66 98.837 60.904 14.510 1.00 18.25 N
ATOM 538 CA VAL A 66 97.852 61.913 14.876 1.00 17.75 C
ATOM 539 C VAL A 66 96.554 61.628 14.134 1.00 15.07 C
ATOM 540 O VAL A 66 96.561 61.401 12.927 1.00 15.72 O
ATOM 541 CB VAL A 66 98.332 63.336 14.523 1.00 18.08 C
ATOM 542 CG1 VAL A 66 97.254 64.351 14.892 1.00 15.47 C
ATOM 543 CG2 VAL A 66 99.629 63.645 15.265 1.00 17.38 C
ATOM 544 N LEU A 67 95.447 61.642 14.866 1.00 14.83 N
ATOM 545 CA LEU A 67 94.138 61.368 14.292 1.00 15.76 C
ATOM 546 C LEU A 67 93.170 62.538 14.442 1.00 14.34 C
ATOM 547 O LEU A 67 92.495 62.669 15.466 1.00 15.19 O
ATOM 548 CB LEU A 67 93.541 60.123 14.954 1.00 15.79 C
ATOM 549 CG LEU A 67 94.435 58.878 14.901 1.00 16.31 C
ATOM 550 CD1 LEU A 67 93.825 57.763 15.745 1.00 17.22 C
ATOM 551 CD2 LEU A 67 94.606 58.437 13.459 1.00 13.64 C
ATOM 552 N PRO A 68 93.096 63.411 13.422 1.00 14.83 N
ATOM 553 CA PRO A 68 92.197 64.570 13.446 1.00 16.53 C
ATOM 554 C PRO A 68 90.746 64.100 13.440 1.00 16.58 C
ATOM 555 O PRO A 68 90.468 62.938 13.140 1.00 16.58 O
ATOM 556 CB PRO A 68 92.549 65.315 12.154 1.00 13.83 C
ATOM 557 CG PRO A 68 93.977 64.946 11.916 1.00 17.01 C
ATOM 558 CD PRO A 68 93.995 63.471 12.255 1.00 15.52 C
ATOM 559 N GLY A 69 89.826 65.008 13.752 1.00 15.71 N
ATOM 560 CA GLY A 69 88.419 64.658 13.763 1.00 18.22 C
ATOM 561 C GLY A 69 87.703 64.997 12.462 1.00 19.03 C
ATOM 562 O GLY A 69 88.306 64.995 11.384 1.00 16.61 O
ATOM 563 N GLY A 70 86.413 65.302 12.573 1.00 17.81 N
ATOM 564 CA GLY A 70 85.613 65.622 11.404 1.00 19.77 C
ATOM 565 C GLY A 70 84.814 64.402 10.976 1.00 22.06 C
ATOM 566 O GLY A 70 84.558 63.513 11.786 1.00 19.46 O
ATOM 567 N ARG A 71 84.419 64.357 9.707 1.00 20.08 N
ATOM 568 CA ARG A 71 83.659 63.228 9.177 1.00 21.84 C
ATOM 569 C ARG A 71 84.594 62.177 8.584 1.00 19.53 C
ATOM 570 O ARG A 71 84.191 61.040 8.341 1.00 19.90 O
ATOM 571 CB ARG A 71 82.698 63.699 8.081 1.00 30.27 C
ATOM 572 CG ARG A 71 81.570 64.604 8.540 1.00 42.75 C
ATOM 573 CD ARG A 71 80.712 64.992 7.342 1.00 57.69 C
ATOM 574 NE ARG A 71 79.504 65.725 7.711 1.00 99.85 N
ATOM 575 CZ ARG A 71 78.598 66.156 6.838 1.00 99.84 C
ATOM 576 NH1 ARG A 71 78.764 65.929 5.541 1.00 99.25 N
ATOM 577 NH2 ARG A 71 77.525 66.812 7.259 1.00 99.54 N
ATOM 578 N ALA A 72 85.845 62.563 8.353 1.00 17.10 N
ATOM 579 CA ALA A 72 86.832 61.664 7.767 1.00 17.17 C
ATOM 580 C ALA A 72 87.024 60.325 8.492 1.00 17.25 C
ATOM 581 O ALA A 72 87.146 59.283 7.846 1.00 17.73 O
ATOM 582 CB ALA A 72 88.171 62.382 7.640 1.00 15.01 C
ATOM 583 N PRO A 73 87.060 60.329 9.837 1.00 15.28 N
ATOM 584 CA PRO A 73 87.247 59.064 10.565 1.00 16.79 C
ATOM 585 C PRO A 73 86.246 57.959 10.209 1.00 17.03 C
ATOM 586 O PRO A 73 86.611 56.783 10.153 1.00 14.73 O
ATOM 587 CB PRO A 73 87.143 59.489 12.027 1.00 14.15 C
ATOM 588 CG PRO A 73 87.729 60.881 12.001 1.00 14.53 C
ATOM 589 CD PRO A 73 87.068 61.473 10.769 1.00 15.30 C
ATOM 590 N GLU A 74 84.991 58.326 9.968 1.00 16.04 N
ATOM 591 CA GLU A 74 83.987 57.326 9.624 1.00 18.39 C
ATOM 592 C GLU A 74 84.253 56.644 8.287 1.00 20.60 C
ATOM 593 O GLU A 74 83.754 55.548 8.035 1.00 21.34 O
ATOM 594 CB GLU A 74 82.585 57.936 9.647 1.00 22.17 C
ATOM 595 CG GLU A 74 81.855 57.661 10.953 1.00 30.28 C
ATOM 596 CD GLU A 74 80.428 58.165 10.948 1.00 33.66 C
ATOM 597 OE1 GLU A 74 79.758 58.042 9.908 1.00 34.44 O
ATOM 598 OE2 GLU A 74 79.970 58.670 11.989 1.00 39.06 O
ATOM 599 N ARG A 75 85.041 57.284 7.429 1.00 20.78 N
ATOM 600 CA ARG A 75 85.378 56.678 6.152 1.00 23.28 C
ATOM 601 C ARG A 75 86.712 55.957 6.297 1.00 19.27 C
ATOM 602 O ARG A 75 86.896 54.860 5.775 1.00 18.47 O
ATOM 603 CB ARG A 75 85.455 57.735 5.046 1.00 28.71 C
ATOM 604 CG ARG A 75 84.094 58.292 4.661 1.00 43.88 C
ATOM 605 CD ARG A 75 84.079 58.801 3.229 1.00 99.24 C
ATOM 606 NE ARG A 75 82.717 59.057 2.765 1.00 99.75 N
ATOM 607 CZ ARG A 75 82.398 59.374 1.514 1.00 99.45 C
ATOM 608 NH1 ARG A 75 83.344 59.477 0.589 1.00 99.03 N
ATOM 609 NH2 ARG A 75 81.130 59.581 1.184 1.00 99.08 N
ATOM 610 N VAL A 76 87.637 56.572 7.026 1.00 16.44 N
ATOM 611 CA VAL A 76 88.951 55.980 7.253 1.00 17.46 C
ATOM 612 C VAL A 76 88.864 54.667 8.041 1.00 16.98 C
ATOM 613 O VAL A 76 89.600 53.717 7.764 1.00 16.67 O
ATOM 614 CB VAL A 76 89.869 56.954 8.024 1.00 17.45 C
ATOM 615 CG1 VAL A 76 91.201 56.282 8.336 1.00 18.46 C
ATOM 616 CG2 VAL A 76 90.097 58.219 7.196 1.00 18.43 C
ATOM 617 N ARG A 77 87.956 54.613 9.011 1.00 16.68 N
ATOM 618 CA ARG A 77 87.802 53.425 9.850 1.00 17.98 C
ATOM 619 C ARG A 77 87.285 52.197 9.093 1.00 19.95 C
ATOM 620 O ARG A 77 87.257 51.092 9.643 1.00 18.00 O
ATOM 621 CB ARG A 77 86.878 53.733 11.036 1.00 16.43 C
ATOM 622 CG ARG A 77 85.411 53.804 10.673 1.00 14.95 C
ATOM 623 CD ARG A 77 84.551 54.318 11.816 1.00 18.33 C
ATOM 624 NE ARG A 77 84.701 53.546 13.049 1.00 18.25 N
ATOM 625 CZ ARG A 77 83.851 53.613 14.069 1.00 18.22 C
ATOM 626 NH1 ARG A 77 82.791 54.408 13.997 1.00 15.65 N
ATOM 627 NH2 ARG A 77 84.072 52.911 15.173 1.00 17.16 N
ATOM 628 N LEU A 78 86.870 52.389 7.842 1.00 20.93 N
ATOM 629 CA LEU A 78 86.380 51.280 7.026 1.00 21.28 C
ATOM 630 C LEU A 78 87.481 50.776 6.097 1.00 21.94 C
ATOM 631 O LEU A 78 87.294 49.799 5.370 1.00 20.56 O
ATOM 632 CB LEU A 78 85.164 51.703 6.190 1.00 20.93 C
ATOM 633 CG LEU A 78 83.834 51.897 6.924 1.00 21.25 C
ATOM 634 CD1 LEU A 78 82.769 52.366 5.945 1.00 22.54 C
ATOM 635 CD2 LEU A 78 83.412 50.590 7.571 1.00 20.72 C
ATOM 636 N ASN A 79 88.627 51.450 6.120 1.00 20.49 N
ATOM 637 CA ASN A 79 89.748 51.052 5.284 1.00 20.57 C
ATOM 638 C ASN A 79 90.670 50.140 6.090 1.00 22.16 C
ATOM 639 O ASN A 79 91.285 50.563 7.071 1.00 21.90 O
ATOM 640 CB ASN A 79 90.503 52.290 4.783 1.00 18.34 C
ATOM 641 CG ASN A 79 91.655 51.940 3.859 1.00 21.31 C
ATOM 642 OD1 ASN A 79 92.752 51.613 4.309 1.00 21.84 O
ATOM 643 ND2 ASN A 79 91.405 51.996 2.553 1.00 19.56 N
ATOM 644 N GLU A 80 90.746 48.881 5.672 1.00 22.56 N
ATOM 645 CA GLU A 80 91.569 47.887 6.348 1.00 25.67 C
ATOM 646 C GLU A 80 93.016 48.333 6.534 1.00 22.78 C
ATOM 647 O GLU A 80 93.585 48.172 7.615 1.00 21.31 O
ATOM 648 CB GLU A 80 91.512 46.563 5.571 1.00 30.16 C
ATOM 649 CG GLU A 80 92.385 45.443 6.125 1.00 40.57 C
ATOM 650 CD GLU A 80 93.853 45.602 5.765 1.00 63.72 C
ATOM 651 OE1 GLU A 80 94.167 45.673 4.557 1.00 99.01 O
ATOM 652 OE2 GLU A 80 94.693 45.653 6.689 1.00 99.47 O
ATOM 653 N LYS A 81 93.612 48.895 5.488 1.00 20.86 N
ATOM 654 CA LYS A 81 94.999 49.341 5.568 1.00 21.82 C
ATOM 655 C LYS A 81 95.193 50.459 6.595 1.00 21.29 C
ATOM 656 O LYS A 81 96.112 50.406 7.410 1.00 20.59 O
ATOM 657 CB LYS A 81 95.485 49.809 4.194 1.00 24.48 C
ATOM 658 CG LYS A 81 96.961 50.181 4.152 1.00 30.95 C
ATOM 659 CD LYS A 81 97.849 48.983 4.472 1.00 34.98 C
ATOM 660 CE LYS A 81 99.325 49.316 4.301 1.00 36.16 C
ATOM 661 NZ LYS A 81 99.781 50.350 5.262 1.00 36.90 N
ATOM 662 N ALA A 82 94.330 51.470 6.559 1.00 19.26 N
ATOM 663 CA ALA A 82 94.438 52.585 7.498 1.00 19.48 C
ATOM 664 C ALA A 82 94.272 52.111 8.939 1.00 18.20 C
ATOM 665 O ALA A 82 95.014 52.525 9.830 1.00 18.46 O
ATOM 666 CB ALA A 82 93.392 53.650 7.177 1.00 17.57 C
ATOM 667 N VAL A 83 93.292 51.246 9.165 1.00 18.70 N
ATOM 668 CA VAL A 83 93.041 50.727 10.501 1.00 19.71 C
ATOM 669 C VAL A 83 94.228 49.906 11.011 1.00 19.99 C
ATOM 670 O VAL A 83 94.599 50.012 12.181 1.00 19.05 O
ATOM 671 CB VAL A 83 91.748 49.877 10.524 1.00 18.61 C
ATOM 672 CG1 VAL A 83 91.551 49.238 11.897 1.00 18.53 C
ATOM 673 CG2 VAL A 83 90.554 50.764 10.195 1.00 20.25 C
ATOM 680 N ILE A 85 97.309 50.307 10.201 1.00 23.09 N
ATOM 681 CA ILE A 85 98.395 51.239 10.490 1.00 20.40 C
ATOM 682 C ILE A 85 98.241 51.722 11.926 1.00 19.09 C
ATOM 683 O ILE A 85 99.186 51.683 12.717 1.00 21.82 O
ATOM 684 CB ILE A 85 98.356 52.459 9.545 1.00 20.69 C
ATOM 685 CG1 ILE A 85 98.701 52.021 8.121 1.00 18.30 C
ATOM 686 CG2 ILE A 85 99.327 53.533 10.030 1.00 20.84 C
ATOM 687 CD1 ILE A 85 98.517 53.115 7.083 1.00 23.04 C
ATOM 688 N ALA A 86 97.034 52.171 12.258 1.00 17.28 N
ATOM 689 CA ALA A 86 96.737 52.662 13.596 1.00 19.85 C
ATOM 690 C ALA A 86 96.862 51.555 14.645 1.00 20.27 C
ATOM 691 O ALA A 86 97.389 51.781 15.736 1.00 19.47 O
ATOM 692 CB ALA A 86 95.330 53.252 13.631 1.00 17.98 C
ATOM 693 N ARG A 87 96.374 50.361 14.319 1.00 18.76 N
ATOM 694 CA ARG A 87 96.444 49.252 15.266 1.00 20.00 C
ATOM 695 C ARG A 87 97.894 48.933 15.619 1.00 18.53 C
ATOM 696 O ARG A 87 98.240 48.819 16.794 1.00 19.70 O
ATOM 697 CB ARG A 87 95.749 48.010 14.694 1.00 18.81 C
ATOM 698 CG ARG A 87 95.718 46.812 15.646 1.00 20.65 C
ATOM 699 CD ARG A 87 94.684 45.791 15.187 1.00 26.19 C
ATOM 700 NE ARG A 87 94.842 45.498 13.772 1.00 31.59 N
ATOM 701 CZ ARG A 87 93.861 45.553 12.876 1.00 28.12 C
ATOM 702 NH1 ARG A 87 92.627 45.888 13.241 1.00 26.32 N
ATOM 703 NH2 ARG A 87 94.124 45.291 11.607 1.00 26.55 N
ATOM 704 N LYS A 88 98.743 48.812 14.603 1.00 19.52 N
ATOM 705 CA LYS A 88 100.153 48.507 14.824 1.00 22.67 C
ATOM 706 C LYS A 88 100.873 49.596 15.612 1.00 25.92 C
ATOM 707 O LYS A 88 101.497 49.320 16.638 1.00 27.48 O
ATOM 708 CB LYS A 88 100.873 48.303 13.490 1.00 24.16 C
ATOM 709 CG LYS A 88 100.422 47.083 12.710 1.00 31.30 C
ATOM 710 CD LYS A 88 101.176 46.982 11.391 1.00 36.49 C
ATOM 711 CE LYS A 88 100.704 45.798 10.562 1.00 39.80 C
ATOM 712 NZ LYS A 88 101.423 45.717 9.261 1.00 99.56 N
ATOM 713 N MET A 89 100.786 50.835 15.133 1.00 24.60 N
ATOM 714 CA MET A 89 101.455 51.948 15.801 1.00 24.19 C
ATOM 715 C MET A 89 101.006 52.116 17.253 1.00 24.27 C
ATOM 716 O MET A 89 101.834 52.316 18.143 1.00 24.04 O
ATOM 717 CB MET A 89 101.240 53.250 15.011 1.00 24.56 C
ATOM 718 CG MET A 89 101.950 53.272 13.652 1.00 25.95 C
ATOM 720 CE MET A 89 103.151 55.817 13.618 1.00 30.47 C
ATOM 721 N PHE A 90 99.702 52.021 17.495 1.00 21.02 N
ATOM 722 CA PHE A 90 99.162 52.163 18.844 1.00 20.69 C
ATOM 723 C PHE A 90 99.626 51.021 19.750 1.00 24.59 C
ATOM 724 O PHE A 90 100.060 51.249 20.882 1.00 25.48 O
ATOM 725 CB PHE A 90 97.632 52.171 18.806 1.00 20.13 C
ATOM 726 CG PHE A 90 96.989 52.521 20.122 1.00 18.73 C
ATOM 727 CD1 PHE A 90 96.663 53.838 20.423 1.00 18.75 C
ATOM 728 CD2 PHE A 90 96.708 51.532 21.061 1.00 20.56 C
ATOM 729 CE1 PHE A 90 96.060 54.169 21.639 1.00 21.93 C
ATOM 730 CE2 PHE A 90 96.107 51.847 22.279 1.00 22.48 C
ATOM 731 CZ PHE A 90 95.781 53.171 22.569 1.00 25.34 C
ATOM 738 N GLU A 92 102.215 49.169 19.390 1.00 28.75 N
ATOM 739 CA GLU A 92 103.665 49.195 19.561 1.00 30.03 C
ATOM 740 C GLU A 92 104.050 50.191 20.650 1.00 29.27 C
ATOM 741 O GLU A 92 105.219 50.299 21.021 1.00 28.24 O
ATOM 742 CB GLU A 92 104.364 49.582 18.257 1.00 31.95 C
ATOM 743 CG GLU A 92 104.303 48.524 17.166 1.00 37.00 C
ATOM 744 CD GLU A 92 105.009 48.962 15.895 1.00 99.80 C
ATOM 745 OE1 GLU A 92 104.641 50.019 15.342 1.00 99.94 O
ATOM 746 OE2 GLU A 92 105.931 48.249 15.449 1.00 99.46 O
ATOM 747 N GLY A 93 103.062 50.926 21.150 1.00 26.60 N
ATOM 748 CA GLY A 93 103.322 51.895 22.200 1.00 26.39 C
ATOM 749 C GLY A 93 103.791 53.250 21.701 1.00 26.05 C
ATOM 750 O GLY A 93 104.201 54.096 22.494 1.00 26.24 O
ATOM 751 N LYS A 94 103.740 53.464 20.392 1.00 24.25 N
ATOM 752 CA LYS A 94 104.159 54.747 19.837 1.00 23.90 C
ATOM 753 C LYS A 94 103.155 55.832 20.208 1.00 23.12 C
ATOM 754 O LYS A 94 101.975 55.554 20.430 1.00 23.00 O
ATOM 755 CB LYS A 94 104.285 54.653 18.316 1.00 24.35 C
ATOM 756 CG LYS A 94 105.410 53.750 17.845 1.00 23.73 C
ATOM 757 CD LYS A 94 105.427 53.633 16.328 1.00 22.78 C
ATOM 758 CE LYS A 94 106.585 52.768 15.846 1.00 20.68 C
ATOM 759 NZ LYS A 94 106.556 52.586 14.362 1.00 21.91 N
ATOM 760 N PRO A 95 103.616 57.089 20.299 1.00 23.03 N
ATOM 761 CA PRO A 95 102.729 58.202 20.647 1.00 21.24 C
ATOM 762 C PRO A 95 101.561 58.319 19.665 1.00 19.93 C
ATOM 763 O PRO A 95 101.758 58.311 18.452 1.00 20.19 O
ATOM 764 CB PRO A 95 103.658 59.413 20.582 1.00 21.89 C
ATOM 765 CG PRO A 95 104.980 58.835 20.991 1.00 25.22 C
ATOM 766 CD PRO A 95 105.015 57.543 20.203 1.00 22.80 C
ATOM 767 N VAL A 96 100.349 58.423 20.198 1.00 19.79 N
ATOM 768 CA VAL A 96 99.157 58.553 19.370 1.00 20.83 C
ATOM 769 C VAL A 96 98.270 59.659 19.930 1.00 21.35 C
ATOM 770 O VAL A 96 97.863 59.610 21.089 1.00 21.92 O
ATOM 771 CB VAL A 96 98.345 57.236 19.330 1.00 20.61 C
ATOM 772 CG1 VAL A 96 97.096 57.418 18.466 1.00 21.86 C
ATOM 773 CG2 VAL A 96 99.212 56.108 18.784 1.00 19.00 C
ATOM 774 N ALA A 97 97.978 60.658 19.100 1.00 19.06 N
ATOM 775 CA ALA A 97 97.135 61.772 19.515 1.00 17.48 C
ATOM 776 C ALA A 97 95.807 61.727 18.770 1.00 16.33 C
ATOM 777 O ALA A 97 95.780 61.626 17.545 1.00 16.31 O
ATOM 778 CB ALA A 97 97.845 63.096 19.239 1.00 20.50 C
ATOM 785 N ILE A 99 91.607 63.374 18.585 1.00 19.95 N
ATOM 786 CA ILE A 99 90.687 64.419 19.001 1.00 17.75 C
ATOM 787 C ILE A 99 89.372 64.284 18.242 1.00 19.70 C
ATOM 788 O ILE A 99 89.354 63.804 17.106 1.00 19.29 O
ATOM 789 CB ILE A 99 91.293 65.838 18.763 1.00 17.08 C
ATOM 790 CG1 ILE A 99 90.382 66.905 19.375 1.00 15.34 C
ATOM 791 CG2 ILE A 99 91.459 66.109 17.266 1.00 14.61 C
ATOM 792 CD1 ILE A 99 91.018 68.287 19.444 1.00 15.30 C
ATOM 793 N CYS A 100 88.276 64.680 18.889 1.00 20.06 N
ATOM 794 CA CYS A 100 86.941 64.653 18.289 1.00 21.68 C
ATOM 795 C CYS A 100 86.494 63.253 17.852 1.00 20.50 C
ATOM 796 O CYS A 100 86.302 62.371 18.693 1.00 17.33 O
ATOM 797 CB CYS A 100 86.904 65.623 17.100 1.00 25.35 C
ATOM 798 SG CYS A 100 85.248 66.055 16.516 1.00 39.43 S
ATOM 799 N HIS A 101 86.313 63.051 16.547 1.00 18.86 N
ATOM 800 CA HIS A 101 85.907 61.740 16.029 1.00 17.02 C
ATOM 801 C HIS A 101 87.122 60.878 15.676 1.00 16.88 C
ATOM 802 O HIS A 101 86.987 59.698 15.339 1.00 16.45 O
ATOM 803 CB HIS A 101 85.022 61.887 14.784 1.00 14.81 C
ATOM 804 CG HIS A 101 83.627 62.347 15.077 1.00 17.17 C
ATOM 805 ND1 HIS A 101 83.312 63.664 15.334 1.00 19.08 N
ATOM 806 CD2 HIS A 101 82.463 61.660 15.160 1.00 16.97 C
ATOM 807 CE1 HIS A 101 82.014 63.769 15.561 1.00 16.24 C
ATOM 808 NE2 HIS A 101 81.476 62.567 15.462 1.00 17.76 N
ATOM 809 N GLY A 102 88.309 61.470 15.753 1.00 17.65 N
ATOM 810 CA GLY A 102 89.524 60.737 15.434 1.00 16.86 C
ATOM 811 C GLY A 102 89.654 59.361 16.080 1.00 18.53 C
ATOM 812 O GLY A 102 90.084 58.413 15.423 1.00 18.26 O
ATOM 813 N PRO A 103 89.291 59.209 17.361 1.00 16.65 N
ATOM 814 CA PRO A 103 89.416 57.890 17.990 1.00 17.21 C
ATOM 815 C PRO A 103 88.507 56.784 17.441 1.00 18.90 C
ATOM 816 O PRO A 103 88.655 55.625 17.819 1.00 15.55 O
ATOM 817 CB PRO A 103 89.173 58.189 19.474 1.00 15.52 C
ATOM 818 CG PRO A 103 88.244 59.367 19.431 1.00 19.24 C
ATOM 819 CD PRO A 103 88.848 60.220 18.338 1.00 15.19 C
ATOM 820 N GLN A 104 87.565 57.128 16.563 1.00 16.81 N
ATOM 821 CA GLN A 104 86.703 56.102 15.976 1.00 16.27 C
ATOM 822 C GLN A 104 87.603 55.109 15.242 1.00 15.64 C
ATOM 823 O GLN A 104 87.294 53.920 15.143 1.00 15.82 O
ATOM 824 CB GLN A 104 85.704 56.712 14.982 1.00 14.57 C
ATOM 825 CG GLN A 104 84.632 57.588 15.614 1.00 14.24 C
ATOM 826 CD GLN A 104 83.648 58.128 14.588 1.00 15.17 C
ATOM 827 OE1 GLN A 104 84.044 58.663 13.552 1.00 14.31 O
ATOM 828 NE2 GLN A 104 82.360 57.995 14.878 1.00 12.74 N
ATOM 829 N ILE A 105 88.723 55.612 14.728 1.00 15.48 N
ATOM 830 CA ILE A 105 89.686 54.782 14.012 1.00 15.73 C
ATOM 831 C ILE A 105 90.334 53.773 14.965 1.00 18.95 C
ATOM 832 O ILE A 105 90.583 52.622 14.593 1.00 16.76 O
ATOM 833 CB ILE A 105 90.779 55.661 13.359 1.00 15.19 C
ATOM 834 CG1 ILE A 105 90.155 56.509 12.245 1.00 17.43 C
ATOM 835 CG2 ILE A 105 91.908 54.789 12.820 1.00 16.34 C
ATOM 836 CD1 ILE A 105 91.049 57.652 11.748 1.00 15.51 C
ATOM 837 N LEU A 106 90.604 54.210 16.193 1.00 18.11 N
ATOM 838 CA LEU A 106 91.202 53.335 17.197 1.00 18.28 C
ATOM 839 C LEU A 106 90.169 52.312 17.665 1.00 18.93 C
ATOM 840 O LEU A 106 90.508 51.161 17.938 1.00 19.00 O
ATOM 841 CB LEU A 106 91.718 54.158 18.382 1.00 17.99 C
ATOM 842 CG LEU A 106 92.878 55.103 18.043 1.00 17.86 C
ATOM 843 CD1 LEU A 106 93.263 55.916 19.270 1.00 18.82 C
ATOM 844 CD2 LEU A 106 94.066 54.296 17.540 1.00 18.20 C
ATOM 845 N ILE A 107 88.909 52.731 17.763 1.00 18.40 N
ATOM 846 CA ILE A 107 87.846 51.812 18.157 1.00 16.71 C
ATOM 847 C ILE A 107 87.873 50.642 17.171 1.00 19.99 C
ATOM 848 O ILE A 107 87.915 49.474 17.564 1.00 18.65 O
ATOM 849 CB ILE A 107 86.448 52.485 18.086 1.00 18.27 C
ATOM 850 CG1 ILE A 107 86.269 53.460 19.253 1.00 15.57 C
ATOM 851 CG2 ILE A 107 85.350 51.421 18.107 1.00 17.97 C
ATOM 852 CD1 ILE A 107 84.910 54.153 19.278 1.00 17.42 C
ATOM 859 N ALA A 109 90.239 49.662 15.316 1.00 15.47 N
ATOM 860 CA ALA A 109 91.498 48.929 15.378 1.00 18.08 C
ATOM 861 C ALA A 109 91.407 47.888 16.500 1.00 18.67 C
ATOM 862 O ALA A 109 92.187 46.940 16.538 1.00 20.13 O
ATOM 863 CB ALA A 109 92.661 49.890 15.640 1.00 14.90 C
ATOM 864 N GLY A 110 90.453 48.087 17.409 1.00 18.78 N
ATOM 865 CA GLY A 110 90.241 47.165 18.519 1.00 21.36 C
ATOM 866 C GLY A 110 91.289 47.195 19.621 1.00 24.25 C
ATOM 867 O GLY A 110 91.503 46.195 20.314 1.00 21.54 O
ATOM 868 N VAL A 111 91.918 48.349 19.815 1.00 21.29 N
ATOM 869 CA VAL A 111 92.973 48.478 20.817 1.00 20.91 C
ATOM 870 C VAL A 111 92.631 49.289 22.061 1.00 19.14 C
ATOM 871 O VAL A 111 93.486 49.472 22.924 1.00 24.40 O
ATOM 872 CB VAL A 111 94.219 49.128 20.188 1.00 22.06 C
ATOM 873 CG1 VAL A 111 94.705 48.298 19.009 1.00 23.17 C
ATOM 874 CG2 VAL A 111 93.878 50.552 19.726 1.00 17.82 C
ATOM 875 N LEU A 112 91.393 49.753 22.181 1.00 17.77 N
ATOM 876 CA LEU A 112 91.030 50.608 23.308 1.00 17.67 C
ATOM 877 C LEU A 112 90.486 50.009 24.600 1.00 18.80 C
ATOM 878 O LEU A 112 90.305 50.738 25.573 1.00 15.43 O
ATOM 879 CB LEU A 112 90.046 51.685 22.831 1.00 18.08 C
ATOM 880 CG LEU A 112 90.527 52.660 21.749 1.00 19.71 C
ATOM 881 CD1 LEU A 112 89.409 53.657 21.426 1.00 16.82 C
ATOM 882 CD2 LEU A 112 91.776 53.398 22.229 1.00 19.10 C
ATOM 883 N ARG A 113 90.227 48.708 24.647 1.00 17.50 N
ATOM 884 CA ARG A 113 89.664 48.158 25.876 1.00 20.18 C
ATOM 885 C ARG A 113 90.564 48.384 27.089 1.00 18.67 C
ATOM 886 O ARG A 113 91.732 48.013 27.085 1.00 16.71 O
ATOM 887 CB ARG A 113 89.345 46.664 25.720 1.00 20.21 C
ATOM 888 CG ARG A 113 88.813 46.033 27.006 1.00 25.39 C
ATOM 889 CD ARG A 113 87.797 44.911 26.755 1.00 26.73 C
ATOM 890 NE ARG A 113 86.498 45.425 26.321 1.00 26.37 N
ATOM 891 CZ ARG A 113 86.074 45.438 25.060 1.00 27.46 C
ATOM 892 NH1 ARG A 113 86.846 44.961 24.088 1.00 25.32 N
ATOM 893 NH2 ARG A 113 84.875 45.929 24.771 1.00 29.21 N
ATOM 894 N GLY A 114 90.003 49.011 28.119 1.00 21.02 N
ATOM 895 CA GLY A 114 90.753 49.277 29.332 1.00 24.75 C
ATOM 896 C GLY A 114 91.532 50.579 29.330 1.00 26.77 C
ATOM 897 O GLY A 114 92.081 50.972 30.361 1.00 24.67 O
ATOM 898 N ARG A 115 91.586 51.254 28.184 1.00 23.90 N
ATOM 899 CA ARG A 115 92.319 52.510 28.096 1.00 22.68 C
ATOM 900 C ARG A 115 91.481 53.678 28.605 1.00 22.47 C
ATOM 901 O ARG A 115 90.250 53.603 28.663 1.00 24.06 O
ATOM 902 CB ARG A 115 92.780 52.758 26.656 1.00 22.67 C
ATOM 903 CG ARG A 115 93.687 51.664 26.109 1.00 25.31 C
ATOM 904 CD ARG A 115 94.874 51.420 27.035 1.00 27.46 C
ATOM 905 NE ARG A 115 95.803 52.547 27.042 1.00 23.89 N
ATOM 906 CZ ARG A 115 96.876 52.636 26.264 1.00 24.11 C
ATOM 907 NH1 ARG A 115 97.165 51.658 25.416 1.00 20.41 N
ATOM 908 NH2 ARG A 115 97.657 53.707 26.328 1.00 25.09 N
ATOM 909 N LYS A 116 92.162 54.753 28.988 1.00 21.30 N
ATOM 910 CA LYS A 116 91.502 55.936 29.524 1.00 20.59 C
ATOM 911 C LYS A 116 91.675 57.113 28.568 1.00 18.92 C
ATOM 912 O LYS A 116 92.792 57.448 28.183 1.00 16.83 O
ATOM 913 CB LYS A 116 92.105 56.275 30.890 1.00 23.93 C
ATOM 914 CG LYS A 116 91.347 57.324 31.678 1.00 25.57 C
ATOM 915 CD LYS A 116 91.896 57.409 33.098 1.00 33.06 C
ATOM 916 CE LYS A 116 91.064 58.329 33.973 1.00 36.69 C
ATOM 917 NZ LYS A 116 91.552 58.322 35.384 1.00 40.24 N
ATOM 918 N GLY A 117 90.566 57.736 28.188 1.00 21.23 N
ATOM 919 CA GLY A 117 90.644 58.854 27.269 1.00 21.15 C
ATOM 920 C GLY A 117 89.323 59.563 27.075 1.00 21.27 C
ATOM 921 O GLY A 117 88.358 59.329 27.809 1.00 19.16 O
ATOM 922 N THR A 118 89.277 60.433 26.072 1.00 19.56 N
ATOM 923 CA THR A 118 88.070 61.190 25.787 1.00 17.75 C
ATOM 924 C THR A 118 87.870 61.306 24.278 1.00 17.68 C
ATOM 925 O THR A 118 88.644 60.751 23.493 1.00 16.13 O
ATOM 926 CB THR A 118 88.154 62.597 26.418 1.00 14.96 C
ATOM 927 OG1 THR A 118 86.876 63.240 26.339 1.00 16.92 O
ATOM 928 CG2 THR A 118 89.195 63.442 25.697 1.00 15.39 C
ATOM 935 N TYR A 120 84.867 63.339 21.127 1.00 18.53 N
ATOM 936 CA TYR A 120 83.715 64.195 20.909 1.00 19.44 C
ATOM 937 C TYR A 120 82.651 63.574 21.812 1.00 18.55 C
ATOM 938 O TYR A 120 82.401 62.372 21.739 1.00 17.16 O
ATOM 939 CB TYR A 120 83.274 64.120 19.443 1.00 22.30 C
ATOM 940 CG TYR A 120 81.983 64.847 19.141 1.00 28.89 C
ATOM 941 CD1 TYR A 120 81.874 66.225 19.326 1.00 33.89 C
ATOM 942 CD2 TYR A 120 80.871 64.157 18.657 1.00 30.40 C
ATOM 943 CE1 TYR A 120 80.687 66.899 19.033 1.00 36.99 C
ATOM 944 CE2 TYR A 120 79.682 64.819 18.363 1.00 34.78 C
ATOM 945 CZ TYR A 120 79.597 66.189 18.552 1.00 36.90 C
ATOM 946 OH TYR A 120 78.424 66.846 18.251 1.00 40.10 O
ATOM 947 N PRO A 121 82.023 64.376 22.684 1.00 21.62 N
ATOM 948 CA PRO A 121 80.994 63.858 23.592 1.00 20.84 C
ATOM 949 C PRO A 121 79.905 63.036 22.908 1.00 22.68 C
ATOM 950 O PRO A 121 79.354 62.105 23.502 1.00 21.52 O
ATOM 951 CB PRO A 121 80.444 65.124 24.241 1.00 23.42 C
ATOM 952 CG PRO A 121 81.653 66.014 24.285 1.00 22.58 C
ATOM 953 CD PRO A 121 82.236 65.818 22.906 1.00 21.13 C
ATOM 954 N GLY A 122 79.605 63.384 21.661 1.00 20.94 N
ATOM 955 CA GLY A 122 78.577 62.679 20.915 1.00 19.31 C
ATOM 956 C GLY A 122 78.811 61.189 20.722 1.00 18.96 C
ATOM 957 O GLY A 122 77.863 60.444 20.478 1.00 19.56 O
ATOM 958 N ILE A 123 80.059 60.742 20.813 1.00 15.54 N
ATOM 959 CA ILE A 123 80.340 59.319 20.640 1.00 16.59 C
ATOM 960 C ILE A 123 80.912 58.681 21.901 1.00 18.60 C
ATOM 961 O ILE A 123 81.532 57.616 21.841 1.00 16.43 O
ATOM 962 CB ILE A 123 81.323 59.068 19.470 1.00 15.46 C
ATOM 963 CG1 ILE A 123 82.674 59.721 19.765 1.00 16.48 C
ATOM 964 CG2 ILE A 123 80.734 59.619 18.168 1.00 13.41 C
ATOM 965 CD1 ILE A 123 83.742 59.372 18.750 1.00 15.46 C
ATOM 966 N LYS A 124 80.698 59.323 23.046 1.00 18.89 N
ATOM 967 CA LYS A 124 81.208 58.784 24.300 1.00 19.23 C
ATOM 968 C LYS A 124 80.671 57.374 24.551 1.00 16.91 C
ATOM 969 O LYS A 124 81.384 56.519 25.066 1.00 13.88 O
ATOM 970 CB LYS A 124 80.833 59.696 25.475 1.00 18.92 C
ATOM 971 CG LYS A 124 79.355 59.710 25.823 1.00 25.85 C
ATOM 972 CD LYS A 124 79.103 60.530 27.084 1.00 29.13 C
ATOM 973 CE LYS A 124 77.638 60.475 27.498 1.00 36.05 C
ATOM 974 NZ LYS A 124 77.192 59.081 27.800 1.00 41.10 N
ATOM 975 N ASP A 125 79.417 57.122 24.183 1.00 16.04 N
ATOM 976 CA ASP A 125 78.847 55.797 24.406 1.00 18.49 C
ATOM 977 C ASP A 125 79.513 54.726 23.563 1.00 18.68 C
ATOM 978 O ASP A 125 79.572 53.560 23.966 1.00 17.82 O
ATOM 979 CB ASP A 125 77.340 55.793 24.143 1.00 18.09 C
ATOM 980 CG ASP A 125 76.567 56.500 25.230 1.00 24.28 C
ATOM 981 OD1 ASP A 125 77.110 56.625 26.350 1.00 23.38 O
ATOM 982 OD2 ASP A 125 75.420 56.916 24.972 1.00 25.34 O
ATOM 983 N ASP A 126 80.009 55.113 22.392 1.00 17.29 N
ATOM 984 CA ASP A 126 80.677 54.160 21.516 1.00 17.46 C
ATOM 985 C ASP A 126 82.077 53.888 22.058 1.00 17.87 C
ATOM 986 O ASP A 126 82.598 52.777 21.929 1.00 16.22 O
ATOM 987 CB ASP A 126 80.753 54.699 20.084 1.00 18.04 C
ATOM 988 CG ASP A 126 79.387 55.062 19.521 1.00 17.22 C
ATOM 989 OD1 ASP A 126 78.415 54.308 19.758 1.00 15.38 O
ATOM 990 OD2 ASP A 126 79.284 56.099 18.831 1.00 18.06 O
ATOM 991 N MET A 127 82.689 54.907 22.657 1.00 13.49 N
ATOM 992 CA MET A 127 84.013 54.749 23.245 1.00 13.67 C
ATOM 993 C MET A 127 83.851 53.811 24.449 1.00 14.28 C
ATOM 994 O MET A 127 84.632 52.880 24.642 1.00 16.75 O
ATOM 995 CB MET A 127 84.568 56.108 23.697 1.00 14.43 C
ATOM 996 CG MET A 127 84.962 57.057 22.552 1.00 14.75 C
ATOM 998 CE MET A 127 87.767 57.187 22.687 1.00 19.54 C
ATOM 999 N ILE A 128 82.819 54.055 25.248 1.00 16.14 N
ATOM 1000 CA ILE A 128 82.551 53.224 26.417 1.00 18.87 C
ATOM 1001 C ILE A 128 82.296 51.766 26.002 1.00 19.93 C
ATOM 1002 O ILE A 128 82.849 50.841 26.600 1.00 19.17 O
ATOM 1003 CB ILE A 128 81.338 53.768 27.202 1.00 18.73 C
ATOM 1004 CG1 ILE A 128 81.699 55.117 27.836 1.00 19.42 C
ATOM 1005 CG2 ILE A 128 80.907 52.773 28.278 1.00 21.01 C
ATOM 1006 CD1 ILE A 128 80.522 55.842 28.469 1.00 18.92 C
ATOM 1007 N ASN A 129 81.469 51.565 24.977 1.00 17.83 N
ATOM 1008 CA ASN A 129 81.158 50.216 24.497 1.00 17.85 C
ATOM 1009 C ASN A 129 82.394 49.496 23.969 1.00 17.57 C
ATOM 1010 O ASN A 129 82.402 48.268 23.846 1.00 15.94 O
ATOM 1011 CB ASN A 129 80.081 50.271 23.406 1.00 17.38 C
ATOM 1012 CG ASN A 129 78.683 50.429 23.975 1.00 19.67 C
ATOM 1013 OD1 ASN A 129 77.773 50.923 23.304 1.00 23.60 O
ATOM 1014 ND2 ASN A 129 78.500 49.993 25.215 1.00 15.43 N
ATOM 1015 N ALA A 130 83.434 50.263 23.651 1.00 16.38 N
ATOM 1016 CA ALA A 130 84.681 49.689 23.158 1.00 17.58 C
ATOM 1017 C ALA A 130 85.624 49.377 24.325 1.00 18.63 C
ATOM 1018 O ALA A 130 86.749 48.923 24.119 1.00 19.17 O
ATOM 1019 CB ALA A 130 85.358 50.653 22.179 1.00 17.92 C
ATOM 1020 N GLY A 131 85.165 49.639 25.547 1.00 19.72 N
ATOM 1021 CA GLY A 131 85.980 49.354 26.719 1.00 22.48 C
ATOM 1022 C GLY A 131 86.780 50.526 27.259 1.00 23.12 C
ATOM 1023 O GLY A 131 87.649 50.354 28.118 1.00 21.88 O
ATOM 1024 N VAL A 132 86.497 51.724 26.760 1.00 21.55 N
ATOM 1025 CA VAL A 132 87.207 52.913 27.212 1.00 19.30 C
ATOM 1026 C VAL A 132 86.580 53.497 28.471 1.00 19.26 C
ATOM 1027 O VAL A 132 85.361 53.561 28.591 1.00 19.03 O
ATOM 1028 CB VAL A 132 87.186 54.042 26.133 1.00 19.72 C
ATOM 1029 CG1 VAL A 132 87.756 55.337 26.718 1.00 17.17 C
ATOM 1030 CG2 VAL A 132 87.986 53.625 24.907 1.00 17.40 C
ATOM 1031 N GLU A 133 87.410 53.905 29.425 1.00 23.75 N
ATOM 1032 CA GLU A 133 86.872 54.563 30.603 1.00 26.82 C
ATOM 1033 C GLU A 133 86.924 56.016 30.143 1.00 24.65 C
ATOM 1034 O GLU A 133 87.976 56.650 30.142 1.00 23.45 O
ATOM 1035 CB GLU A 133 87.739 54.315 31.845 1.00 31.84 C
ATOM 1036 CG GLU A 133 89.220 54.546 31.681 1.00 40.61 C
ATOM 1037 CD GLU A 133 89.981 54.258 32.963 1.00 99.54 C
ATOM 1038 OE1 GLU A 133 89.685 54.909 33.989 1.00 99.62 O
ATOM 1039 OE2 GLU A 133 90.868 53.379 32.947 1.00 99.55 O
ATOM 1040 N TRP A 134 85.771 56.512 29.711 1.00 26.75 N
ATOM 1041 CA TRP A 134 85.639 57.856 29.172 1.00 26.56 C
ATOM 1042 C TRP A 134 85.682 58.974 30.204 1.00 28.56 C
ATOM 1043 O TRP A 134 84.972 58.938 31.206 1.00 30.20 O
ATOM 1044 CB TRP A 134 84.338 57.948 28.384 1.00 25.16 C
ATOM 1045 CG TRP A 134 84.322 59.052 27.394 1.00 23.23 C
ATOM 1046 CD1 TRP A 134 84.830 59.024 26.126 1.00 21.38 C
ATOM 1047 CD2 TRP A 134 83.779 60.360 27.583 1.00 22.36 C
ATOM 1048 NE1 TRP A 134 84.634 60.236 25.511 1.00 20.53 N
ATOM 1049 CE2 TRP A 134 83.991 61.076 26.382 1.00 21.22 C
ATOM 1050 CE3 TRP A 134 83.133 61.000 28.649 1.00 23.35 C
ATOM 1051 CZ2 TRP A 134 83.579 62.401 26.217 1.00 20.95 C
ATOM 1052 CZ3 TRP A 134 82.722 62.321 28.486 1.00 26.84 C
ATOM 1053 CH2 TRP A 134 82.948 63.006 27.277 1.00 25.17 C
ATOM 1054 N VAL A 135 86.508 59.979 29.933 1.00 28.36 N
ATOM 1055 CA VAL A 135 86.653 61.124 30.824 1.00 27.64 C
ATOM 1056 C VAL A 135 86.284 62.406 30.084 1.00 26.28 C
ATOM 1057 O VAL A 135 86.676 62.603 28.937 1.00 24.23 O
ATOM 1058 CB VAL A 135 88.109 61.255 31.326 1.00 29.27 C
ATOM 1059 CG1 VAL A 135 88.231 62.443 32.274 1.00 32.63 C
ATOM 1060 CG2 VAL A 135 88.537 59.970 32.017 1.00 32.26 C
ATOM 1061 N ASP A 136 85.522 63.273 30.739 1.00 25.62 N
ATOM 1062 CA ASP A 136 85.130 64.533 30.127 1.00 26.44 C
ATOM 1063 C ASP A 136 86.119 65.613 30.553 1.00 24.98 C
ATOM 1064 O ASP A 136 85.861 66.370 31.489 1.00 27.87 O
ATOM 1065 CB ASP A 136 83.711 64.912 30.556 1.00 27.64 C
ATOM 1066 CG ASP A 136 83.194 66.143 29.839 1.00 31.21 C
ATOM 1067 OD1 ASP A 136 83.837 66.587 28.863 1.00 33.34 O
ATOM 1068 OD2 ASP A 136 82.134 66.660 30.245 1.00 32.94 O
ATOM 1069 N ALA A 137 87.258 65.663 29.867 1.00 23.87 N
ATOM 1070 CA ALA A 137 88.303 66.640 30.154 1.00 23.73 C
ATOM 1071 C ALA A 137 88.897 67.151 28.843 1.00 24.91 C
ATOM 1072 O ALA A 137 88.898 66.435 27.841 1.00 23.35 O
ATOM 1073 CB ALA A 137 89.391 66.002 31.007 1.00 23.35 C
ATOM 1074 N GLU A 138 89.403 68.383 28.852 1.00 21.32 N
ATOM 1075 CA GLU A 138 89.989 68.973 27.650 1.00 21.40 C
ATOM 1076 C GLU A 138 91.119 68.123 27.086 1.00 20.16 C
ATOM 1077 O GLU A 138 91.381 68.140 25.881 1.00 21.79 O
ATOM 1078 CB GLU A 138 90.490 70.393 27.935 1.00 20.63 C
ATOM 1079 CG GLU A 138 91.394 70.519 29.150 1.00 27.09 C
ATOM 1080 CD GLU A 138 91.834 71.951 29.392 1.00 30.95 C
ATOM 1081 OE1 GLU A 138 91.268 72.863 28.750 1.00 31.42 O
ATOM 1082 OE2 GLU A 138 92.739 72.164 30.227 1.00 34.08 O
ATOM 1083 N VAL A 139 91.802 67.389 27.957 1.00 19.93 N
ATOM 1084 CA VAL A 139 92.874 66.515 27.507 1.00 17.91 C
ATOM 1085 C VAL A 139 93.124 65.402 28.513 1.00 22.98 C
ATOM 1086 O VAL A 139 93.112 65.626 29.722 1.00 19.03 O
ATOM 1087 CB VAL A 139 94.197 67.285 27.264 1.00 18.88 C
ATOM 1088 CG1 VAL A 139 94.804 67.744 28.582 1.00 21.31 C
ATOM 1089 CG2 VAL A 139 95.169 66.396 26.507 1.00 16.70 C
ATOM 1090 N VAL A 140 93.323 64.196 28.000 1.00 22.27 N
ATOM 1091 CA VAL A 140 93.591 63.043 28.843 1.00 22.80 C
ATOM 1092 C VAL A 140 94.871 62.406 28.338 1.00 21.31 C
ATOM 1093 O VAL A 140 95.075 62.273 27.129 1.00 21.37 O
ATOM 1094 CB VAL A 140 92.444 62.008 28.773 1.00 21.82 C
ATOM 1095 CG1 VAL A 140 92.745 60.829 29.687 1.00 25.31 C
ATOM 1096 CG2 VAL A 140 91.132 62.660 29.171 1.00 21.51 C
ATOM 1097 N VAL A 141 95.743 62.039 29.269 1.00 21.23 N
ATOM 1098 CA VAL A 141 97.008 61.407 28.930 1.00 19.55 C
ATOM 1099 C VAL A 141 97.023 60.018 29.561 1.00 23.38 C
ATOM 1100 O VAL A 141 97.006 59.882 30.785 1.00 22.52 O
ATOM 1101 CB VAL A 141 98.199 62.215 29.475 1.00 21.06 C
ATOM 1102 CG1 VAL A 141 99.499 61.507 29.144 1.00 19.25 C
ATOM 1103 CG2 VAL A 141 98.185 63.618 28.886 1.00 22.22 C
ATOM 1104 N ASP A 142 97.042 58.995 28.718 1.00 21.76 N
ATOM 1105 CA ASP A 142 97.054 57.614 29.184 1.00 24.68 C
ATOM 1106 C ASP A 142 98.204 56.888 28.514 1.00 23.65 C
ATOM 1107 O ASP A 142 98.023 56.205 27.508 1.00 25.30 O
ATOM 1108 CB ASP A 142 95.725 56.932 28.845 1.00 27.85 C
ATOM 1109 CG ASP A 142 95.727 55.450 29.171 1.00 30.48 C
ATOM 1110 OD1 ASP A 142 96.361 55.066 30.174 1.00 30.69 O
ATOM 1111 OD2 ASP A 142 95.084 54.673 28.434 1.00 32.11 O
ATOM 1112 N GLY A 143 99.397 57.045 29.078 1.00 23.40 N
ATOM 1113 CA GLY A 143 100.559 56.407 28.496 1.00 23.31 C
ATOM 1114 C GLY A 143 100.888 57.047 27.160 1.00 25.13 C
ATOM 1115 O GLY A 143 101.164 58.246 27.085 1.00 24.74 O
ATOM 1116 N ASN A 144 100.843 56.253 26.098 1.00 23.74 N
ATOM 1117 CA ASN A 144 101.151 56.748 24.762 1.00 24.28 C
ATOM 1118 C ASN A 144 99.954 57.410 24.078 1.00 21.86 C
ATOM 1119 O ASN A 144 100.092 57.959 22.987 1.00 24.56 O
ATOM 1120 CB ASN A 144 101.637 55.592 23.890 1.00 26.00 C
ATOM 1121 CG ASN A 144 100.550 54.558 23.639 1.00 26.74 C
ATOM 1122 OD1 ASN A 144 99.864 54.126 24.565 1.00 24.39 O
ATOM 1123 ND2 ASN A 144 100.393 54.155 22.384 1.00 24.19 N
ATOM 1124 N TRP A 145 98.789 57.365 24.718 1.00 22.22 N
ATOM 1125 CA TRP A 145 97.574 57.929 24.132 1.00 20.77 C
ATOM 1126 C TRP A 145 97.115 59.258 24.727 1.00 21.71 C
ATOM 1127 O TRP A 145 96.666 59.328 25.875 1.00 19.77 O
ATOM 1128 CB TRP A 145 96.438 56.894 24.219 1.00 21.71 C
ATOM 1129 CG TRP A 145 95.148 57.322 23.577 1.00 20.24 C
ATOM 1130 CD1 TRP A 145 95.004 58.089 22.455 1.00 19.65 C
ATOM 1131 CD2 TRP A 145 93.820 56.968 23.994 1.00 20.19 C
ATOM 1132 NE1 TRP A 145 93.671 58.235 22.148 1.00 18.61 N
ATOM 1133 CE2 TRP A 145 92.922 57.558 23.075 1.00 19.93 C
ATOM 1134 CE3 TRP A 145 93.301 56.208 25.053 1.00 18.80 C
ATOM 1135 CZ2 TRP A 145 91.532 57.416 23.183 1.00 20.01 C
ATOM 1136 CZ3 TRP A 145 91.919 56.065 25.162 1.00 19.78 C
ATOM 1137 CH2 TRP A 145 91.050 56.668 24.230 1.00 18.10 C
ATOM 1138 N VAL A 146 97.220 60.311 23.921 1.00 20.81 N
ATOM 1139 CA VAL A 146 96.811 61.650 24.329 1.00 19.04 C
ATOM 1140 C VAL A 146 95.546 62.005 23.548 1.00 19.30 C
ATOM 1141 O VAL A 146 95.572 62.089 22.321 1.00 19.38 O
ATOM 1142 CB VAL A 146 97.924 62.685 24.021 1.00 20.68 C
ATOM 1143 CG1 VAL A 146 97.467 64.083 24.418 1.00 18.36 C
ATOM 1144 CG2 VAL A 146 99.199 62.313 24.772 1.00 21.45 C
ATOM 1157 N ARG A 149 88.737 66.471 23.127 1.00 19.01 N
ATOM 1158 CA ARG A 149 87.359 66.432 22.648 1.00 19.96 C
ATOM 1159 C ARG A 149 86.968 67.282 21.443 1.00 21.42 C
ATOM 1160 O ARG A 149 86.417 66.770 20.463 1.00 19.11 O
ATOM 1161 CB ARG A 149 86.421 66.805 23.797 1.00 19.71 C
ATOM 1162 CG ARG A 149 86.731 66.120 25.119 1.00 20.74 C
ATOM 1163 CD ARG A 149 86.096 66.884 26.282 1.00 24.30 C
ATOM 1164 NE ARG A 149 86.614 68.251 26.376 1.00 22.88 N
ATOM 1165 CZ ARG A 149 86.322 69.103 27.356 1.00 25.23 C
ATOM 1166 NH1 ARG A 149 85.507 68.740 28.338 1.00 24.65 N
ATOM 1167 NH2 ARG A 149 86.850 70.319 27.358 1.00 23.91 N
ATOM 1168 N VAL A 150 87.225 68.583 21.533 1.00 18.16 N
ATOM 1169 CA VAL A 150 86.840 69.518 20.481 1.00 19.32 C
ATOM 1170 C VAL A 150 87.925 70.552 20.177 1.00 20.55 C
ATOM 1171 O VAL A 150 88.945 70.617 20.862 1.00 21.18 O
ATOM 1172 CB VAL A 150 85.548 70.263 20.895 1.00 22.23 C
ATOM 1173 CG1 VAL A 150 84.386 69.277 21.028 1.00 19.86 C
ATOM 1174 CG2 VAL A 150 85.770 70.970 22.231 1.00 21.15 C
ATOM 1175 N PRO A 151 87.715 71.379 19.138 1.00 20.49 N
ATOM 1176 CA PRO A 151 88.696 72.405 18.768 1.00 20.34 C
ATOM 1177 C PRO A 151 89.108 73.316 19.922 1.00 18.24 C
ATOM 1178 O PRO A 151 90.239 73.796 19.969 1.00 20.06 O
ATOM 1179 CB PRO A 151 87.986 73.168 17.656 1.00 20.14 C
ATOM 1180 CG PRO A 151 87.207 72.080 16.973 1.00 21.41 C
ATOM 1181 CD PRO A 151 86.619 71.327 18.150 1.00 20.44 C
ATOM 1182 N ALA A 152 88.192 73.559 20.852 1.00 18.77 N
ATOM 1183 CA ALA A 152 88.494 74.421 21.989 1.00 21.17 C
ATOM 1184 C ALA A 152 89.594 73.830 22.872 1.00 21.91 C
ATOM 1185 O ALA A 152 90.222 74.553 23.650 1.00 20.96 O
ATOM 1186 CB ALA A 152 87.233 74.661 22.813 1.00 23.73 C
ATOM 1187 N ASP A 153 89.830 72.524 22.740 1.00 18.84 N
ATOM 1188 CA ASP A 153 90.850 71.833 23.534 1.00 19.02 C
ATOM 1189 C ASP A 153 92.226 71.804 22.879 1.00 18.94 C
ATOM 1190 O ASP A 153 93.184 71.315 23.478 1.00 21.49 O
ATOM 1191 CB ASP A 153 90.442 70.378 23.807 1.00 18.66 C
ATOM 1192 CG ASP A 153 89.085 70.252 24.471 1.00 21.78 C
ATOM 1193 OD1 ASP A 153 88.730 71.123 25.295 1.00 20.39 O
ATOM 1194 OD2 ASP A 153 88.375 69.263 24.178 1.00 19.78 O
ATOM 1195 N LEU A 154 92.331 72.317 21.656 1.00 18.41 N
ATOM 1196 CA LEU A 154 93.599 72.299 20.924 1.00 17.51 C
ATOM 1197 C LEU A 154 94.858 72.664 21.712 1.00 18.94 C
ATOM 1198 O LEU A 154 95.863 71.950 21.647 1.00 17.11 O
ATOM 1199 CB LEU A 154 93.511 73.195 19.682 1.00 18.00 C
ATOM 1200 CG LEU A 154 92.661 72.690 18.508 1.00 18.96 C
ATOM 1201 CD1 LEU A 154 92.642 73.742 17.403 1.00 17.60 C
ATOM 1202 CD2 LEU A 154 93.230 71.381 17.977 1.00 17.31 C
ATOM 1203 N TYR A 155 94.819 73.772 22.446 1.00 19.20 N
ATOM 1204 CA TYR A 155 95.995 74.193 23.204 1.00 20.44 C
ATOM 1205 C TYR A 155 96.465 73.116 24.182 1.00 20.34 C
ATOM 1206 O TYR A 155 97.648 72.774 24.216 1.00 20.72 O
ATOM 1207 CB TYR A 155 95.711 75.508 23.947 1.00 18.41 C
ATOM 1208 CG TYR A 155 94.850 75.378 25.186 1.00 21.17 C
ATOM 1209 CD1 TYR A 155 95.425 75.391 26.458 1.00 23.90 C
ATOM 1210 CD2 TYR A 155 93.467 75.244 25.090 1.00 20.74 C
ATOM 1211 CE1 TYR A 155 94.640 75.277 27.605 1.00 23.72 C
ATOM 1212 CE2 TYR A 155 92.672 75.124 26.231 1.00 23.13 C
ATOM 1213 CZ TYR A 155 93.267 75.143 27.483 1.00 24.30 C
ATOM 1214 OH TYR A 155 92.490 75.034 28.612 1.00 24.74 O
ATOM 1215 N ALA A 156 95.534 72.569 24.958 1.00 19.09 N
ATOM 1216 CA ALA A 156 95.867 71.541 25.939 1.00 20.13 C
ATOM 1217 C ALA A 156 96.266 70.231 25.273 1.00 20.08 C
ATOM 1218 O ALA A 156 97.166 69.531 25.743 1.00 19.32 O
ATOM 1219 CB ALA A 156 94.686 71.314 26.870 1.00 18.87 C
ATOM 1220 N TRP A 157 95.595 69.908 24.172 1.00 19.65 N
ATOM 1221 CA TRP A 157 95.860 68.683 23.430 1.00 20.22 C
ATOM 1222 C TRP A 157 97.320 68.558 22.999 1.00 21.96 C
ATOM 1223 O TRP A 157 97.986 67.576 23.333 1.00 20.50 O
ATOM 1224 CB TRP A 157 94.938 68.613 22.204 1.00 18.68 C
ATOM 1225 CG TRP A 157 95.049 67.349 21.394 1.00 20.21 C
ATOM 1226 CD1 TRP A 157 95.099 66.067 21.868 1.00 19.75 C
ATOM 1227 CD2 TRP A 157 95.048 67.246 19.962 1.00 19.19 C
ATOM 1228 NE1 TRP A 157 95.126 65.174 20.821 1.00 22.39 N
ATOM 1229 CE2 TRP A 157 95.096 65.870 19.641 1.00 17.87 C
ATOM 1230 CE3 TRP A 157 95.008 68.183 18.919 1.00 18.04 C
ATOM 1231 CZ2 TRP A 157 95.105 65.407 18.320 1.00 18.29 C
ATOM 1232 CZ3 TRP A 157 95.015 67.723 17.604 1.00 18.52 C
ATOM 1233 CH2 TRP A 157 95.064 66.345 17.318 1.00 19.70 C
ATOM 1234 N MET A 158 97.828 69.542 22.261 1.00 19.60 N
ATOM 1235 CA MET A 158 99.215 69.467 21.817 1.00 20.12 C
ATOM 1236 C MET A 158 100.207 69.814 22.923 1.00 18.84 C
ATOM 1237 O MET A 158 101.380 69.458 22.836 1.00 19.77 O
ATOM 1238 CB MET A 158 99.448 70.351 20.588 1.00 21.03 C
ATOM 1239 CG MET A 158 98.984 69.722 19.268 1.00 21.71 C
ATOM 1241 CE MET A 158 98.659 66.934 19.135 1.00 35.84 C
ATOM 1242 N ARG A 159 99.750 70.504 23.964 1.00 20.36 N
ATOM 1243 CA ARG A 159 100.657 70.822 25.065 1.00 22.77 C
ATOM 1244 C ARG A 159 101.159 69.487 25.621 1.00 22.06 C
ATOM 1245 O ARG A 159 102.351 69.306 25.866 1.00 20.56 O
ATOM 1246 CB ARG A 159 99.934 71.584 26.175 1.00 23.01 C
ATOM 1247 CG ARG A 159 100.837 71.923 27.357 1.00 29.32 C
ATOM 1248 CD ARG A 159 100.125 71.667 28.668 1.00 30.69 C
ATOM 1249 NE ARG A 159 98.946 72.508 28.812 1.00 37.11 N
ATOM 1250 CZ ARG A 159 97.793 72.094 29.324 1.00 32.68 C
ATOM 1251 NH1 ARG A 159 97.660 70.842 29.739 1.00 28.99 N
ATOM 1252 NH2 ARG A 159 96.775 72.935 29.420 1.00 35.04 N
ATOM 1253 N GLU A 160 100.235 68.549 25.803 1.00 20.84 N
ATOM 1254 CA GLU A 160 100.579 67.232 26.328 1.00 22.36 C
ATOM 1255 C GLU A 160 101.286 66.345 25.306 1.00 21.38 C
ATOM 1256 O GLU A 160 102.266 65.676 25.636 1.00 21.14 O
ATOM 1257 CB GLU A 160 99.325 66.511 26.833 1.00 20.33 C
ATOM 1258 CG GLU A 160 98.657 67.158 28.035 1.00 20.35 C
ATOM 1259 CD GLU A 160 99.632 67.434 29.167 1.00 25.50 C
ATOM 1260 OE1 GLU A 160 100.547 66.614 29.378 1.00 25.17 O
ATOM 1261 OE2 GLU A 160 99.478 68.468 29.850 1.00 29.55 O
ATOM 1262 N PHE A 161 100.801 66.338 24.067 1.00 21.08 N
ATOM 1263 CA PHE A 161 101.417 65.496 23.047 1.00 20.81 C
ATOM 1264 C PHE A 161 102.854 65.909 22.764 1.00 22.57 C
ATOM 1265 O PHE A 161 103.718 65.058 22.548 1.00 24.80 O
ATOM 1266 CB PHE A 161 100.609 65.514 21.744 1.00 22.94 C
ATOM 1267 CG PHE A 161 100.931 64.362 20.821 1.00 22.62 C
ATOM 1268 CD1 PHE A 161 100.766 63.046 21.252 1.00 21.60 C
ATOM 1269 CD2 PHE A 161 101.409 64.588 19.534 1.00 19.86 C
ATOM 1270 CE1 PHE A 161 101.074 61.971 20.413 1.00 19.56 C
ATOM 1271 CE2 PHE A 161 101.719 63.523 18.688 1.00 22.75 C
ATOM 1272 CZ PHE A 161 101.551 62.209 19.130 1.00 20.49 C
ATOM 1273 N VAL A 162 103.116 67.213 22.759 1.00 24.13 N
ATOM 1274 CA VAL A 162 104.472 67.696 22.515 1.00 23.94 C
ATOM 1275 C VAL A 162 105.411 67.138 23.586 1.00 24.13 C
ATOM 1276 O VAL A 162 106.512 66.677 23.279 1.00 22.51 O
ATOM 1277 CB VAL A 162 104.524 69.246 22.520 1.00 26.20 C
ATOM 1278 CG1 VAL A 162 105.966 69.732 22.617 1.00 27.68 C
ATOM 1279 CG2 VAL A 162 103.890 69.784 21.239 1.00 25.00 C
ATOM 1280 N LYS A 163 104.966 67.168 24.840 1.00 27.32 N
ATOM 1281 CA LYS A 163 105.768 66.656 25.950 1.00 31.40 C
ATOM 1282 C LYS A 163 106.131 65.190 25.731 1.00 32.31 C
ATOM 1283 O LYS A 163 107.267 64.775 25.968 1.00 31.38 O
ATOM 1284 CB LYS A 163 105.004 66.788 27.268 1.00 33.73 C
ATOM 1285 CG LYS A 163 104.686 68.211 27.678 1.00 39.87 C
ATOM 1286 CD LYS A 163 103.885 68.237 28.975 1.00 44.36 C
ATOM 1287 CE LYS A 163 103.518 69.660 29.374 1.00 47.30 C
ATOM 1288 NZ LYS A 163 102.645 69.693 30.584 1.00 65.12 N
ATOM 1289 N LEU A 164 105.159 64.409 25.272 1.00 32.34 N
ATOM 1290 CA LEU A 164 105.364 62.987 25.032 1.00 32.03 C
ATOM 1291 C LEU A 164 106.416 62.763 23.949 1.00 32.82 C
ATOM 1292 O LEU A 164 107.202 61.820 24.020 1.00 32.05 O
ATOM 1293 CB LEU A 164 104.039 62.339 24.615 1.00 33.50 C
ATOM 1294 CG LEU A 164 103.847 60.832 24.809 1.00 33.13 C
ATOM 1295 CD1 LEU A 164 102.496 60.430 24.245 1.00 27.54 C
ATOM 1296 CD2 LEU A 164 104.952 60.055 24.122 1.00 39.42 C
ATOM 1297 N LEU A 165 106.428 63.637 22.948 1.00 31.14 N
ATOM 1298 CA LEU A 165 107.373 63.528 21.839 1.00 34.65 C
ATOM 1299 C LEU A 165 108.779 64.024 22.181 1.00 37.36 C
ATOM 1300 O LEU A 165 109.745 63.662 21.511 1.00 36.28 O
ATOM 1301 CB LEU A 165 106.842 64.300 20.625 1.00 34.86 C
ATOM 1302 CG LEU A 165 105.713 63.706 19.766 1.00 37.91 C
ATOM 1303 CD1 LEU A 165 106.311 62.872 18.662 1.00 36.71 C
ATOM 1304 CD2 LEU A 165 104.756 62.877 20.612 1.00 29.87 C
ATOM 1305 N LYS A 166 108.895 64.853 23.214 1.00 42.11 N
ATOM 1306 CA LYS A 166 110.196 65.384 23.613 1.00 49.56 C
ATOM 1307 C LYS A 166 111.147 64.265 24.030 1.00 50.89 C
ATOM 1308 O LYS A 166 110.683 63.115 24.186 1.00 50.18 O
ATOM 1309 CB LYS A 166 110.038 66.369 24.775 1.00 50.36 C
ATOM 1310 CG LYS A 166 109.177 67.578 24.460 1.00 82.21 C
ATOM 1311 CD LYS A 166 108.968 68.436 25.698 1.00 82.42 C
ATOM 1312 CE LYS A 166 108.033 69.601 25.415 1.00 99.39 C
ATOM 1313 NZ LYS A 166 107.744 70.391 26.643 1.00 99.83 N
ATOM 1314 OXT LYS A 166 112.347 64.558 24.205 1.00 54.50 O
END
MODELLER 6v2, 17 Feb 2002
PROTEIN STRUCTURE MODELLING BY SATISFACTION OF SPATIAL RESTRAINTS
Copyright(c) 1989-2002 Andrej Sali
All Rights Reserved
Written by A. Sali
with help from A. Fiser, R. Sanchez, M.A. Marti-Renom,
B. Jerkovic, A. Badretdinov, F. Melo,
J.P. Overington & E. Feyfant
Rockefeller University, New York, USA
Harvard University, Cambridge, USA
Imperial Cancer Research Fund, London, UK
Birkbeck College, University of London, London, UK
Kind, OS, HostName, Kernel, Processor: 4, OSF1 cancercenter.columbia.edu V5.0 alpha
Date and time of compilation : 07/05/2002 17:16:17
Job starting time (YY/MM/DD HH:MM:SS): 2003/03/12 15:50:31.782
TOP_________> 105 705 SET ALNFILE = 'monomer.ali'
TOP_________> 106 706 SET KNOWNS = '1ga2'
TOP_________> 107 707 SET SEQUENCE = 'prk7'
TOP_________> 108 708 SET ATOM_FILES_DIRECTORY = './:../atom_files'
TOP_________> 109 709 SET STARTING_MODEL = 1
TOP_________> 110 710 SET ENDING_MODEL = 1
TOP_________> 111 711 CALL ROUTINE = 'model'
TOP_________> 112 399 CALL ROUTINE = 'getnames'
TOP_________> 113 509 STRING_IF STRING_ARGUMENTS = MODEL 'undefined', OPERATION;
= 'EQ', THEN = 'STRING_OPERATE OPERATION = CONCATENA;
TE, STRING_ARGUMENTS = SEQUENCE .ini, RESULT = MODEL'
TOP_________> 114 510 STRING_IF STRING_ARGUMENTS = CSRFILE 'undefined', OPERATI;
ON = 'EQ', THEN = 'STRING_OPERATE OPERATION = CONCATE;
NATE, STRING_ARGUMENTS = SEQUENCE .rsr, RESULT = CSRFILE;
'
TOP_________> 115 511 STRING_OPERATE OPERATION = 'CONCATENATE', ;
STRING_ARGUMENTS = SEQUENCE '.sch', RESULT = SCHFILE
TOP_________> 116 512 STRING_OPERATE OPERATION = 'CONCATENATE', ;
STRING_ARGUMENTS = SEQUENCE '.mat', RESULT = MATRIX_FI;
LE
TOP_________> 117 513 SET ROOT_NAME = SEQUENCE
TOP_________> 118 514 RETURN
TOP_________> 119 400 CALL ROUTINE = 'homcsr'
TOP_________> 120 106 READ_ALIGNMENT FILE = ALNFILE, ALIGN_CODES = KNOWNS SEQUE;
NCE
Status of dynamic memory allocation in routine: amaxseq
Variable T L1 U1 L2 U2 L3 U3 Size Bytes
---------------------------------------------------------------------------
iseqdb I 1 1 1 4
nseqdb I 1 1 1 4
seqdb S 1 1 1 1 1 4
codep S 1 1 1 20
ialn2 I 1 1 1 4 4 16
nresn2 I 1 4 4 16
irestypn2 I 1 1 1 4 4 16
invaln2 I 1 1 1 4 4 16
nsegmn2 I 1 4 4 16
iress1n2 I 1 30 1 4 120 480
iress2n2 I 1 30 1 4 120 480
resol2 R 1 4 4 16
rfactr2 R 1 4 4 16
caln2 S 1 1 1 4 4 4
ccaln2 S 1 1 1 4 4 4
alnchn2 S 1 2 1 4 8 8
prottyp2 S 1 4 4 320
source2 S 1 4 4 320
range2 S 1 2 1 4 8 40
name2 S 1 4 4 320
segidn2 S 1 30 1 4 120 2400
codein2 L 1 4 4 16
iattmod I 1 50 50 200
iatmgrp I 1 220 220 880
grpatm S 1 50 50 250
attmod S 1 220 220 1980
var R 1 4 1 16 64 256
pdf R 1 4 1 50 200 800
ientry I 1 4 4 16
jentry I 1 4 4 16
nentries I 1 1 1 4
iar I 1 1 1 4
jar I 1 1 1 4
kar I 1 1 1 4
lar I 1 1 1 4
b1ic R 1 1 1 4
b2ic R 1 1 1 4
t1ic R 1 1 1 4
t2ic R 1 1 1 4
pic R 1 1 1 4
tar L 1 1 1 4
xmin R 1 1 1 4
ymin R 1 1 1 4
zmin R 1 1 1 4
ialn I 1 1 1 4 4 16
nresn I 1 4 4 16
irestypn I 1 1 1 4 4 16
invaln I 1 1 1 4 4 16
nsegmn I 1 4 4 16
iress1n I 1 30 1 4 120 480
iress2n I 1 30 1 4 120 480
resol R 1 4 4 16
rfactr R 1 4 4 16
alnacc R 1 1 1 4
prof R 1 1 1 4 4 16
gapdst R 1 3 1 3 9 36
caln S 1 1 1 4 4 4
ccaln S 1 1 1 4 4 4
alnchn S 1 2 1 4 8 8
prottyp S 1 4 4 320
source S 1 4 4 320
range S 1 2 1 4 8 40
name S 1 4 4 320
segidn S 1 30 1 4 120 2400
atmfull S 1 4 4 1024
codein L 1 4 4 16
iresatmn I 1 1 1 4 4 16
natmn I 1 4 4 16
iatmr1n I 1 1 1 4 4 16
idih I 1 1 1 9 1 4 36 144
idihc I 1 1 1 9 1 4 36 144
iglbsim I 1 4 1 4 16 64
isstruc I 1 1 1 4 4 16
neigh I 1 1 1 4 4 16
ineigh I 1 50 1 1 1 4 200 800
iresol I 1 4 4 16
indats2n I 1 2 1 1 1 4 8 32
imnchw I 1 1 1 4 4 16
iacont I 1 4 4 16
idsta1 I 1 1 1 4 4 16
idsta2 I 1 1 1 4 4 16
fractglsim R 1 4 1 4 16 64
xn R 1 1 1 4 4 16
yn R 1 1 1 4 4 16
zn R 1 1 1 4 4 16
dih R 1 1 1 9 1 4 36 144
acc R 1 1 1 4 4 16
bison R 1 1 1 4 4 16
curvn R 1 1 1 4 4 16
atmnamn S 1 1 1 4 4 16
resnumn S 1 1 1 4 4 20
resnamn S 1 1 1 4 4 16
chainn S 1 1 1 4 4 4
accepts L 1 4 4 16
memrange S 1 2 1 6 1 4 48 48
memalnchn S 1 2 1 6 1 4 48 48
mematmfull S 1 6 1 4 24 6144
iatc I 1 5 1 1 5 20
natc I 1 1 1 4
iata I 1 3 1 1 3 12
iatd I 1 4 1 1 4 16
iatb I 1 2 1 1 2 8
iati I 1 4 1 1 4 16
resseg S 1 1 1 4
iatmr1 I 1 1 1 4
iattyp I 1 1 1 4
iresatm I 1 1 1 4
iatta I 1 1 1 4
indats I 1 1 1 3 3 12
irestyp I 1 1 1 4
idihres I 1 4 1 9 1 1 36 144
natngh I 1 1 1 4
radii R 1 1 1 4
charge R 1 1 1 4
x R 1 1 1 4
y R 1 1 1 4
z R 1 1 1 4
biso R 1 1 1 4
vx R 1 1 1 4
vy R 1 1 1 4
vz R 1 1 1 4
atmacc R 1 1 1 4
resnam S 1 1 1 4
atmnam S 1 1 1 4
resnum S 1 1 1 5
chain S 1 1 1 1
picres L 1 1 1 3 3 12
picatm L 1 1 1 3 3 12
katmr1 I 1 1 1 4
kresatm I 1 1 1 4
krestyp I 1 1 1 4
x2 R 1 1 1 4
y2 R 1 1 1 4
z2 R 1 1 1 4
charg2 R 1 1 1 4
biso2 R 1 1 1 4
radii2 R 1 1 1 4
atm2nam S 1 1 1 4
res2nam S 1 1 1 4
chain2 S 1 1 1 1
res2num S 1 1 1 5
dvx R 1 1 1 4
dvy R 1 1 1 4
dvz R 1 1 1 4
pdbfil S 1 16331 16331 2090368
pdblst S 1 16331 16331 81655
indatm I 1 1 1 4
itcsr I 1 7 1 1 7 28
iatm I 1 1 1 4
ipcsr I 1 1 1 4
indatt I 1 1 1 4
itacsr I 1 7 1 1 7 28
iatt I 1 1 1 4
ipacsr I 1 1 1 4
iapairs I 1 2 1 1 2 8
iarsr2 I 1 50 1 50 2500 10000
iarsr I 1 50 50 200
indcsr I 1 1 1 4
pcsr R 1 1 1 4
pacsr R 1 1 1 4
iatsym1 I 1 1 1 4
iatsym2 I 1 1 1 4
wghsym R 1 1 1 4
Dynamically allocated memory at amaxseq [B,kB,MB]: 2205269 2153.583 2.103
openf5__224_> Open 11 OLD SEQUENTIAL monomer.ali
Status of dynamic memory allocation in routine: amaxbnd
Variable T L1 U1 L2 U2 L3 U3 Size Bytes
---------------------------------------------------------------------------
iseqdb I 1 1 1 4
nseqdb I 1 1 1 4
seqdb S 1 1 1 1 1 4
codep S 1 1 1 20
ialn2 I 1 220 1 4 880 3520
nresn2 I 1 4 4 16
irestypn2 I 1 220 1 4 880 3520
invaln2 I 1 220 1 4 880 3520
nsegmn2 I 1 4 4 16
iress1n2 I 1 30 1 4 120 480
iress2n2 I 1 30 1 4 120 480
resol2 R 1 4 4 16
rfactr2 R 1 4 4 16
caln2 S 1 220 1 4 880 880
ccaln2 S 1 220 1 4 880 880
alnchn2 S 1 2 1 4 8 8
prottyp2 S 1 4 4 320
source2 S 1 4 4 320
range2 S 1 2 1 4 8 40
name2 S 1 4 4 320
segidn2 S 1 30 1 4 120 2400
codein2 L 1 4 4 16
iattmod I 1 50 50 200
iatmgrp I 1 220 220 880
grpatm S 1 50 50 250
attmod S 1 220 220 1980
var R 1 4 1 16 64 256
pdf R 1 4 1 50 200 800
ientry I 1 84480 84480 337920
jentry I 1 84480 84480 337920
nentries I 1 21120 21120 84480
iar I 1 10560 10560 42240
jar I 1 10560 10560 42240
kar I 1 10560 10560 42240
lar I 1 10560 10560 42240
b1ic R 1 10560 10560 42240
b2ic R 1 10560 10560 42240
t1ic R 1 10560 10560 42240
t2ic R 1 10560 10560 42240
pic R 1 10560 10560 42240
tar L 1 10560 10560 42240
xmin R 1 2640 2640 10560
ymin R 1 2640 2640 10560
zmin R 1 2640 2640 10560
ialn I 1 220 1 4 880 3520
nresn I 1 4 4 16
irestypn I 1 220 1 4 880 3520
invaln I 1 220 1 4 880 3520
nsegmn I 1 4 4 16
iress1n I 1 30 1 4 120 480
iress2n I 1 30 1 4 120 480
resol R 1 4 4 16
rfactr R 1 4 4 16
alnacc R 1 220 220 880
prof R 1 220 1 4 880 3520
gapdst R 1 222 1 222 49284 197136
caln S 1 220 1 4 880 880
ccaln S 1 220 1 4 880 880
alnchn S 1 2 1 4 8 8
prottyp S 1 4 4 320
source S 1 4 4 320
range S 1 2 1 4 8 40
name S 1 4 4 320
segidn S 1 30 1 4 120 2400
atmfull S 1 4 4 1024
codein L 1 4 4 16
iresatmn I 1 2640 1 4 10560 42240
natmn I 1 4 4 16
iatmr1n I 1 220 1 4 880 3520
idih I 1 220 1 9 1 4 7920 31680
idihc I 1 220 1 9 1 4 7920 31680
iglbsim I 1 4 1 4 16 64
isstruc I 1 220 1 4 880 3520
neigh I 1 220 1 4 880 3520
ineigh I 1 50 1 220 1 4 44000 176000
iresol I 1 4 4 16
indats2n I 1 2 1 2640 1 4 21120 84480
imnchw I 1 220 1 4 880 3520
iacont I 1 4 4 16
idsta1 I 1 220 1 4 880 3520
idsta2 I 1 220 1 4 880 3520
fractglsim R 1 4 1 4 16 64
xn R 1 2640 1 4 10560 42240
yn R 1 2640 1 4 10560 42240
zn R 1 2640 1 4 10560 42240
dih R 1 220 1 9 1 4 7920 31680
acc R 1 220 1 4 880 3520
bison R 1 2640 1 4 10560 42240
curvn R 1 220 1 4 880 3520
atmnamn S 1 2640 1 4 10560 42240
resnumn S 1 220 1 4 880 4400
resnamn S 1 220 1 4 880 3520
chainn S 1 220 1 4 880 880
accepts L 1 4 4 16
memrange S 1 2 1 6 1 4 48 48
memalnchn S 1 2 1 6 1 4 48 48
mematmfull S 1 6 1 4 24 6144
iatc I 1 5 1 2640 13200 52800
natc I 1 2640 2640 10560
iata I 1 3 1 5280 15840 63360
iatd I 1 4 1 7920 31680 126720
iatb I 1 2 1 2640 5280 21120
iati I 1 4 1 1100 4400 17600
resseg S 1 220 220 880
iatmr1 I 1 220 220 880
iattyp I 1 2640 2640 10560
iresatm I 1 2640 2640 10560
iatta I 1 2640 2640 10560
indats I 1 2640 1 3 7920 31680
irestyp I 1 220 220 880
idihres I 1 4 1 9 1 220 7920 31680
natngh I 1 2640 2640 10560
radii R 1 2640 2640 10560
charge R 1 2640 2640 10560
x R 1 2640 2640 10560
y R 1 2640 2640 10560
z R 1 2640 2640 10560
biso R 1 2640 2640 10560
vx R 1 2640 2640 10560
vy R 1 2640 2640 10560
vz R 1 2640 2640 10560
atmacc R 1 2640 2640 10560
resnam S 1 220 220 880
atmnam S 1 2640 2640 10560
resnum S 1 220 220 1100
chain S 1 220 220 220
picres L 1 220 1 3 660 2640
picatm L 1 2640 1 3 7920 31680
katmr1 I 1 220 220 880
kresatm I 1 2640 2640 10560
krestyp I 1 220 220 880
x2 R 1 2640 2640 10560
y2 R 1 2640 2640 10560
z2 R 1 2640 2640 10560
charg2 R 1 2640 2640 10560
biso2 R 1 2640 2640 10560
radii2 R 1 2640 2640 10560
atm2nam S 1 2640 2640 10560
res2nam S 1 220 220 880
chain2 S 1 220 220 220
res2num S 1 220 220 1100
dvx R 1 2640 2640 10560
dvy R 1 2640 2640 10560
dvz R 1 2640 2640 10560
pdbfil S 1 16331 16331 2090368
pdblst S 1 16331 16331 81655
indatm I 1 1 1 4
itcsr I 1 7 1 1 7 28
iatm I 1 1 1 4
ipcsr I 1 1 1 4
indatt I 1 1 1 4
itacsr I 1 7 1 1 7 28
iatt I 1 1 1 4
ipacsr I 1 1 1 4
iapairs I 1 2 1 1 2 8
iarsr2 I 1 50 1 50 2500 10000
iarsr I 1 50 50 200
indcsr I 1 1 1 4
pcsr R 1 1 1 4
pacsr R 1 1 1 4
iatsym1 I 1 2640 2640 10560
iatsym2 I 1 2640 2640 10560
wghsym R 1 2640 2640 10560
Dynamically allocated memory at amaxbnd [B,kB,MB]: 4994449 4877.392 4.763
openf5__224_> Open 11 OLD SEQUENTIAL monomer.ali
Read the alignment from file : monomer.ali
Total number of alignment positions: 190
# Code #_Res #_Segm PDB_code Name
-------------------------------------------------------------------------------
1 1ga2 166 1 1ga2 Protease
2 prk7 189 1 prk7 park7
TOP_________> 121 107 CHECK_ALIGNMENT
check_a_343_> >> BEGINNING OF COMMAND
openf5__224_> Open 11 OLD SEQUENTIAL ./1ga2.atm
rdpdb___303E> No atoms were read from the specified input PDB file:
1) Possibly because an incorrect/non-existent PDB file is specified.
2) Possibly because the segment is specified incorrectly in the
alignment file or by the TOP variable MODEL_SEGMENT. That is,
the beginning residue number and/or chain id in MODEL_SEGMENT
may not be found in the input PDB file; MODEL_SEGMENT: 1:
To find out more, switch on maximal output by 'SET OUTPUT_CONTROL = 1 1 1 1 2'
rdabrk__288W> Protein not accepted: 1
rdabrk__290E> Number of residues in the alignment and pdb files are different: 166 0
For alignment entry: 1
recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1
Dynamically allocated memory at finish [B,kB,MB]: 4994449 4877.392 4.763
Starting time : 2003/03/12 15:50:31.782
Closing time : 2003/03/12 15:50:35.448
Total CPU time [seconds] : 0.00