USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 80 LYS NZ :NH3+ -128:sc= -0.0217 (180deg=-0.256) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -4.21 K(o=-4.2,f=-7.7!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -56:sc= 0.393 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00169 USER MOD Single : A 100 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.122) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0573 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 156:sc= -0.723 (180deg=-2.4!) USER MOD Single : A 111 THR OG1 : rot 86:sc= 1.11 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.295) USER MOD Single : A 133 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 134 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 139 TYR OH : rot 130:sc= 0 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 80 176.181 16.555 -10.146 1.00 0.00 N ATOM 2 CA LYS A 80 176.628 16.494 -8.725 1.00 0.00 C ATOM 3 C LYS A 80 175.467 16.066 -7.824 1.00 0.00 C ATOM 4 O LYS A 80 174.435 16.706 -7.762 1.00 0.00 O ATOM 5 CB LYS A 80 177.073 17.919 -8.389 1.00 0.00 C ATOM 6 CG LYS A 80 178.244 18.317 -9.289 1.00 0.00 C ATOM 7 CD LYS A 80 178.686 19.743 -8.955 1.00 0.00 C ATOM 8 CE LYS A 80 179.787 19.702 -7.892 1.00 0.00 C ATOM 9 NZ LYS A 80 181.028 19.347 -8.638 1.00 0.00 N ATOM 0 HA LYS A 80 177.429 15.771 -8.574 1.00 0.00 H new ATOM 0 HB2 LYS A 80 176.243 18.612 -8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 80 177.369 17.981 -7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 80 179.075 17.626 -9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 80 177.949 18.253 -10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 80 179.051 20.241 -9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 80 177.837 20.322 -8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 80 179.889 20.665 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 80 179.565 18.964 -7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 181.489 18.536 -8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 180.785 19.097 -9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 181.677 20.160 -8.639 1.00 0.00 H new ATOM 23 N ALA A 81 175.645 14.976 -7.126 1.00 0.00 N ATOM 24 CA ALA A 81 174.585 14.458 -6.213 1.00 0.00 C ATOM 25 C ALA A 81 175.013 14.632 -4.754 1.00 0.00 C ATOM 26 O ALA A 81 176.183 14.809 -4.465 1.00 0.00 O ATOM 27 CB ALA A 81 174.481 12.971 -6.552 1.00 0.00 C ATOM 0 H ALA A 81 176.495 14.413 -7.151 1.00 0.00 H new ATOM 0 HA ALA A 81 173.638 14.984 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 81 173.720 12.507 -5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 81 174.206 12.855 -7.600 1.00 0.00 H new ATOM 0 HB3 ALA A 81 175.442 12.489 -6.373 1.00 0.00 H new ATOM 33 N LYS A 82 174.081 14.600 -3.833 1.00 0.00 N ATOM 34 CA LYS A 82 174.442 14.782 -2.398 1.00 0.00 C ATOM 35 C LYS A 82 174.285 13.474 -1.621 1.00 0.00 C ATOM 36 O LYS A 82 173.588 12.565 -2.030 1.00 0.00 O ATOM 37 CB LYS A 82 173.463 15.833 -1.877 1.00 0.00 C ATOM 38 CG LYS A 82 173.794 17.190 -2.500 1.00 0.00 C ATOM 39 CD LYS A 82 172.814 18.245 -1.980 1.00 0.00 C ATOM 40 CE LYS A 82 173.146 19.602 -2.604 1.00 0.00 C ATOM 41 NZ LYS A 82 172.929 20.590 -1.511 1.00 0.00 N ATOM 0 H LYS A 82 173.088 14.456 -4.015 1.00 0.00 H new ATOM 0 HA LYS A 82 175.482 15.087 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 82 172.440 15.547 -2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 82 173.523 15.895 -0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 82 174.817 17.475 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 82 173.734 17.127 -3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 82 171.791 17.960 -2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 82 172.874 18.308 -0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 82 174.175 19.630 -2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 82 172.503 19.811 -3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 173.137 21.547 -1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 171.940 20.545 -1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 173.559 20.369 -0.713 1.00 0.00 H new ATOM 55 N THR A 83 174.945 13.394 -0.491 1.00 0.00 N ATOM 56 CA THR A 83 174.865 12.161 0.359 1.00 0.00 C ATOM 57 C THR A 83 173.393 11.789 0.588 1.00 0.00 C ATOM 58 O THR A 83 173.042 10.637 0.734 1.00 0.00 O ATOM 59 CB THR A 83 175.543 12.540 1.679 1.00 0.00 C ATOM 60 OG1 THR A 83 176.718 13.288 1.405 1.00 0.00 O ATOM 61 CG2 THR A 83 175.913 11.275 2.461 1.00 0.00 C ATOM 0 H THR A 83 175.540 14.134 -0.117 1.00 0.00 H new ATOM 0 HA THR A 83 175.347 11.300 -0.104 1.00 0.00 H new ATOM 0 HB THR A 83 174.856 13.139 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 83 177.153 13.534 2.248 1.00 0.00 H new ATOM 0 HG21 THR A 83 176.395 11.554 3.398 1.00 0.00 H new ATOM 0 HG22 THR A 83 175.011 10.702 2.674 1.00 0.00 H new ATOM 0 HG23 THR A 83 176.597 10.668 1.868 1.00 0.00 H new ATOM 69 N GLU A 84 172.538 12.779 0.609 1.00 0.00 N ATOM 70 CA GLU A 84 171.074 12.537 0.818 1.00 0.00 C ATOM 71 C GLU A 84 170.541 11.476 -0.153 1.00 0.00 C ATOM 72 O GLU A 84 169.697 10.673 0.198 1.00 0.00 O ATOM 73 CB GLU A 84 170.418 13.886 0.519 1.00 0.00 C ATOM 74 CG GLU A 84 170.765 14.881 1.628 1.00 0.00 C ATOM 75 CD GLU A 84 170.119 16.234 1.322 1.00 0.00 C ATOM 76 OE1 GLU A 84 170.740 17.022 0.627 1.00 0.00 O ATOM 77 OE2 GLU A 84 169.014 16.460 1.787 1.00 0.00 O ATOM 0 H GLU A 84 172.794 13.759 0.489 1.00 0.00 H new ATOM 0 HA GLU A 84 170.866 12.172 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 84 170.762 14.264 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 84 169.337 13.768 0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 84 170.413 14.507 2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 84 171.847 14.992 1.706 1.00 0.00 H new ATOM 84 N ASP A 85 171.030 11.471 -1.367 1.00 0.00 N ATOM 85 CA ASP A 85 170.554 10.461 -2.365 1.00 0.00 C ATOM 86 C ASP A 85 170.843 9.046 -1.852 1.00 0.00 C ATOM 87 O ASP A 85 169.976 8.193 -1.830 1.00 0.00 O ATOM 88 CB ASP A 85 171.352 10.748 -3.639 1.00 0.00 C ATOM 89 CG ASP A 85 170.910 9.791 -4.750 1.00 0.00 C ATOM 90 OD1 ASP A 85 171.373 8.663 -4.750 1.00 0.00 O ATOM 91 OD2 ASP A 85 170.116 10.205 -5.579 1.00 0.00 O ATOM 0 H ASP A 85 171.737 12.121 -1.711 1.00 0.00 H new ATOM 0 HA ASP A 85 169.480 10.525 -2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 85 171.197 11.781 -3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 85 172.418 10.630 -3.446 1.00 0.00 H new ATOM 96 N PHE A 86 172.058 8.800 -1.441 1.00 0.00 N ATOM 97 CA PHE A 86 172.427 7.448 -0.924 1.00 0.00 C ATOM 98 C PHE A 86 171.894 7.241 0.499 1.00 0.00 C ATOM 99 O PHE A 86 171.448 6.165 0.849 1.00 0.00 O ATOM 100 CB PHE A 86 173.958 7.426 -0.916 1.00 0.00 C ATOM 101 CG PHE A 86 174.469 6.756 -2.170 1.00 0.00 C ATOM 102 CD1 PHE A 86 174.030 5.470 -2.507 1.00 0.00 C ATOM 103 CD2 PHE A 86 175.385 7.420 -2.996 1.00 0.00 C ATOM 104 CE1 PHE A 86 174.504 4.849 -3.668 1.00 0.00 C ATOM 105 CE2 PHE A 86 175.861 6.798 -4.157 1.00 0.00 C ATOM 106 CZ PHE A 86 175.420 5.512 -4.493 1.00 0.00 C ATOM 0 H PHE A 86 172.817 9.482 -1.441 1.00 0.00 H new ATOM 0 HA PHE A 86 172.002 6.655 -1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 86 174.345 8.443 -0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 86 174.318 6.893 -0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 86 173.325 4.957 -1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 86 175.724 8.412 -2.737 1.00 0.00 H new ATOM 0 HE1 PHE A 86 174.163 3.858 -3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 86 176.568 7.310 -4.793 1.00 0.00 H new ATOM 0 HZ PHE A 86 175.787 5.032 -5.388 1.00 0.00 H new ATOM 116 N VAL A 87 171.973 8.251 1.332 1.00 0.00 N ATOM 117 CA VAL A 87 171.511 8.097 2.749 1.00 0.00 C ATOM 118 C VAL A 87 170.023 7.731 2.804 1.00 0.00 C ATOM 119 O VAL A 87 169.645 6.729 3.376 1.00 0.00 O ATOM 120 CB VAL A 87 171.759 9.465 3.399 1.00 0.00 C ATOM 121 CG1 VAL A 87 171.307 9.438 4.863 1.00 0.00 C ATOM 122 CG2 VAL A 87 173.256 9.794 3.338 1.00 0.00 C ATOM 0 H VAL A 87 172.337 9.174 1.093 1.00 0.00 H new ATOM 0 HA VAL A 87 172.041 7.296 3.264 1.00 0.00 H new ATOM 0 HB VAL A 87 171.191 10.224 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 87 171.486 10.412 5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 87 170.243 9.205 4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 87 171.870 8.677 5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 87 173.434 10.765 3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 87 173.819 9.029 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 87 173.580 9.821 2.298 1.00 0.00 H new ATOM 132 N LYS A 88 169.176 8.549 2.223 1.00 0.00 N ATOM 133 CA LYS A 88 167.700 8.272 2.252 1.00 0.00 C ATOM 134 C LYS A 88 167.393 6.873 1.711 1.00 0.00 C ATOM 135 O LYS A 88 166.451 6.226 2.127 1.00 0.00 O ATOM 136 CB LYS A 88 167.075 9.339 1.350 1.00 0.00 C ATOM 137 CG LYS A 88 165.550 9.212 1.388 1.00 0.00 C ATOM 138 CD LYS A 88 165.037 9.643 2.764 1.00 0.00 C ATOM 139 CE LYS A 88 163.507 9.701 2.743 1.00 0.00 C ATOM 140 NZ LYS A 88 163.120 10.099 4.125 1.00 0.00 N ATOM 0 H LYS A 88 169.443 9.400 1.728 1.00 0.00 H new ATOM 0 HA LYS A 88 167.305 8.306 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 88 167.376 10.333 1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 88 167.435 9.222 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 88 165.103 9.832 0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 88 165.255 8.183 1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 88 165.375 8.941 3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 88 165.445 10.619 3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 88 163.149 10.423 2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 88 163.079 8.735 2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 162.084 10.161 4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 163.469 9.390 4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 163.537 11.025 4.349 1.00 0.00 H new ATOM 154 N ALA A 89 168.176 6.419 0.772 1.00 0.00 N ATOM 155 CA ALA A 89 167.940 5.073 0.168 1.00 0.00 C ATOM 156 C ALA A 89 168.139 3.947 1.187 1.00 0.00 C ATOM 157 O ALA A 89 167.346 3.025 1.249 1.00 0.00 O ATOM 158 CB ALA A 89 168.976 4.954 -0.953 1.00 0.00 C ATOM 0 H ALA A 89 168.976 6.925 0.393 1.00 0.00 H new ATOM 0 HA ALA A 89 166.915 4.979 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 89 168.868 3.989 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 89 168.821 5.753 -1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 89 169.978 5.036 -0.532 1.00 0.00 H new ATOM 164 N PHE A 90 169.186 3.995 1.973 1.00 0.00 N ATOM 165 CA PHE A 90 169.423 2.906 2.968 1.00 0.00 C ATOM 166 C PHE A 90 168.566 3.111 4.215 1.00 0.00 C ATOM 167 O PHE A 90 167.833 2.239 4.638 1.00 0.00 O ATOM 168 CB PHE A 90 170.908 3.001 3.315 1.00 0.00 C ATOM 169 CG PHE A 90 171.702 2.149 2.355 1.00 0.00 C ATOM 170 CD1 PHE A 90 172.172 2.694 1.153 1.00 0.00 C ATOM 171 CD2 PHE A 90 171.968 0.813 2.670 1.00 0.00 C ATOM 172 CE1 PHE A 90 172.906 1.899 0.266 1.00 0.00 C ATOM 173 CE2 PHE A 90 172.703 0.019 1.783 1.00 0.00 C ATOM 174 CZ PHE A 90 173.172 0.562 0.581 1.00 0.00 C ATOM 0 H PHE A 90 169.884 4.739 1.968 1.00 0.00 H new ATOM 0 HA PHE A 90 169.157 1.927 2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 90 171.240 4.038 3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 90 171.076 2.667 4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 90 171.968 3.727 0.911 1.00 0.00 H new ATOM 0 HD2 PHE A 90 171.606 0.394 3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 90 173.267 2.317 -0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 90 172.909 -1.013 2.026 1.00 0.00 H new ATOM 0 HZ PHE A 90 173.739 -0.051 -0.103 1.00 0.00 H new ATOM 184 N GLN A 91 168.715 4.249 4.837 1.00 0.00 N ATOM 185 CA GLN A 91 167.985 4.538 6.109 1.00 0.00 C ATOM 186 C GLN A 91 166.487 4.218 6.021 1.00 0.00 C ATOM 187 O GLN A 91 165.901 3.766 6.988 1.00 0.00 O ATOM 188 CB GLN A 91 168.204 6.034 6.353 1.00 0.00 C ATOM 189 CG GLN A 91 167.628 6.853 5.197 1.00 0.00 C ATOM 190 CD GLN A 91 166.188 7.255 5.519 1.00 0.00 C ATOM 191 OE1 GLN A 91 165.281 6.973 4.762 1.00 0.00 O ATOM 192 NE2 GLN A 91 165.937 7.912 6.620 1.00 0.00 N ATOM 0 H GLN A 91 169.321 5.003 4.514 1.00 0.00 H new ATOM 0 HA GLN A 91 168.359 3.915 6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 91 167.729 6.330 7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 91 169.269 6.240 6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 91 168.236 7.742 5.030 1.00 0.00 H new ATOM 0 HG3 GLN A 91 167.656 6.270 4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 91 166.698 8.150 7.257 1.00 0.00 H new ATOM 0 HE22 GLN A 91 164.980 8.187 6.843 1.00 0.00 H new ATOM 201 N VAL A 92 165.855 4.449 4.895 1.00 0.00 N ATOM 202 CA VAL A 92 164.389 4.152 4.802 1.00 0.00 C ATOM 203 C VAL A 92 164.146 2.659 5.072 1.00 0.00 C ATOM 204 O VAL A 92 163.169 2.282 5.691 1.00 0.00 O ATOM 205 CB VAL A 92 163.976 4.546 3.379 1.00 0.00 C ATOM 206 CG1 VAL A 92 164.762 3.719 2.357 1.00 0.00 C ATOM 207 CG2 VAL A 92 162.482 4.290 3.196 1.00 0.00 C ATOM 0 H VAL A 92 166.282 4.824 4.048 1.00 0.00 H new ATOM 0 HA VAL A 92 163.802 4.702 5.538 1.00 0.00 H new ATOM 0 HB VAL A 92 164.191 5.603 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 92 164.462 4.006 1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 92 165.829 3.902 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 92 164.555 2.660 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 92 162.186 4.569 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 92 162.272 3.233 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 92 161.920 4.885 3.916 1.00 0.00 H new ATOM 217 N PHE A 93 165.050 1.818 4.636 1.00 0.00 N ATOM 218 CA PHE A 93 164.903 0.354 4.892 1.00 0.00 C ATOM 219 C PHE A 93 165.159 0.089 6.379 1.00 0.00 C ATOM 220 O PHE A 93 164.407 -0.622 7.018 1.00 0.00 O ATOM 221 CB PHE A 93 165.973 -0.319 4.030 1.00 0.00 C ATOM 222 CG PHE A 93 165.553 -1.735 3.718 1.00 0.00 C ATOM 223 CD1 PHE A 93 165.557 -2.706 4.727 1.00 0.00 C ATOM 224 CD2 PHE A 93 165.160 -2.078 2.418 1.00 0.00 C ATOM 225 CE1 PHE A 93 165.167 -4.019 4.437 1.00 0.00 C ATOM 226 CE2 PHE A 93 164.771 -3.392 2.128 1.00 0.00 C ATOM 227 CZ PHE A 93 164.774 -4.362 3.138 1.00 0.00 C ATOM 0 H PHE A 93 165.885 2.083 4.113 1.00 0.00 H new ATOM 0 HA PHE A 93 163.910 -0.024 4.649 1.00 0.00 H new ATOM 0 HB2 PHE A 93 166.115 0.241 3.106 1.00 0.00 H new ATOM 0 HB3 PHE A 93 166.929 -0.319 4.553 1.00 0.00 H new ATOM 0 HD1 PHE A 93 165.861 -2.442 5.729 1.00 0.00 H new ATOM 0 HD2 PHE A 93 165.157 -1.329 1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 93 165.169 -4.767 5.216 1.00 0.00 H new ATOM 0 HE2 PHE A 93 164.469 -3.657 1.126 1.00 0.00 H new ATOM 0 HZ PHE A 93 164.473 -5.375 2.915 1.00 0.00 H new ATOM 237 N ASP A 94 166.216 0.635 6.929 1.00 0.00 N ATOM 238 CA ASP A 94 166.522 0.393 8.376 1.00 0.00 C ATOM 239 C ASP A 94 165.428 0.993 9.266 1.00 0.00 C ATOM 240 O ASP A 94 165.576 2.074 9.804 1.00 0.00 O ATOM 241 CB ASP A 94 167.861 1.092 8.630 1.00 0.00 C ATOM 242 CG ASP A 94 168.981 0.333 7.916 1.00 0.00 C ATOM 243 OD1 ASP A 94 168.878 -0.879 7.811 1.00 0.00 O ATOM 244 OD2 ASP A 94 169.926 0.976 7.488 1.00 0.00 O ATOM 0 H ASP A 94 166.879 1.237 6.441 1.00 0.00 H new ATOM 0 HA ASP A 94 166.568 -0.671 8.607 1.00 0.00 H new ATOM 0 HB2 ASP A 94 167.819 2.121 8.272 1.00 0.00 H new ATOM 0 HB3 ASP A 94 168.063 1.135 9.700 1.00 0.00 H new ATOM 249 N LYS A 95 164.330 0.298 9.416 1.00 0.00 N ATOM 250 CA LYS A 95 163.214 0.819 10.264 1.00 0.00 C ATOM 251 C LYS A 95 163.680 1.022 11.709 1.00 0.00 C ATOM 252 O LYS A 95 163.293 1.977 12.357 1.00 0.00 O ATOM 253 CB LYS A 95 162.123 -0.254 10.200 1.00 0.00 C ATOM 254 CG LYS A 95 161.600 -0.367 8.767 1.00 0.00 C ATOM 255 CD LYS A 95 160.739 0.855 8.437 1.00 0.00 C ATOM 256 CE LYS A 95 160.273 0.774 6.981 1.00 0.00 C ATOM 257 NZ LYS A 95 158.913 0.171 7.045 1.00 0.00 N ATOM 0 H LYS A 95 164.157 -0.611 8.987 1.00 0.00 H new ATOM 0 HA LYS A 95 162.857 1.786 9.911 1.00 0.00 H new ATOM 0 HB2 LYS A 95 162.522 -1.213 10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 95 161.307 0.001 10.877 1.00 0.00 H new ATOM 0 HG2 LYS A 95 162.434 -0.436 8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 95 161.014 -1.279 8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 95 159.878 0.897 9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 95 161.310 1.769 8.597 1.00 0.00 H new ATOM 0 HE2 LYS A 95 160.246 1.761 6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 95 160.949 0.162 6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 158.527 0.083 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 158.971 -0.771 7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 158.290 0.779 7.614 1.00 0.00 H new ATOM 271 N GLU A 96 164.504 0.140 12.222 1.00 0.00 N ATOM 272 CA GLU A 96 164.986 0.293 13.630 1.00 0.00 C ATOM 273 C GLU A 96 166.299 1.088 13.677 1.00 0.00 C ATOM 274 O GLU A 96 167.018 1.040 14.655 1.00 0.00 O ATOM 275 CB GLU A 96 165.210 -1.136 14.127 1.00 0.00 C ATOM 276 CG GLU A 96 163.859 -1.835 14.299 1.00 0.00 C ATOM 277 CD GLU A 96 163.104 -1.207 15.473 1.00 0.00 C ATOM 278 OE1 GLU A 96 163.753 -0.812 16.428 1.00 0.00 O ATOM 279 OE2 GLU A 96 161.888 -1.133 15.398 1.00 0.00 O ATOM 0 H GLU A 96 164.862 -0.677 11.728 1.00 0.00 H new ATOM 0 HA GLU A 96 164.271 0.839 14.246 1.00 0.00 H new ATOM 0 HB2 GLU A 96 165.828 -1.686 13.418 1.00 0.00 H new ATOM 0 HB3 GLU A 96 165.748 -1.122 15.075 1.00 0.00 H new ATOM 0 HG2 GLU A 96 163.272 -1.744 13.385 1.00 0.00 H new ATOM 0 HG3 GLU A 96 164.009 -2.900 14.477 1.00 0.00 H new ATOM 286 N SER A 97 166.593 1.848 12.644 1.00 0.00 N ATOM 287 CA SER A 97 167.833 2.698 12.599 1.00 0.00 C ATOM 288 C SER A 97 169.070 2.038 13.229 1.00 0.00 C ATOM 289 O SER A 97 169.874 2.708 13.853 1.00 0.00 O ATOM 290 CB SER A 97 167.463 3.968 13.360 1.00 0.00 C ATOM 291 OG SER A 97 168.444 4.967 13.112 1.00 0.00 O ATOM 0 H SER A 97 166.011 1.916 11.809 1.00 0.00 H new ATOM 0 HA SER A 97 168.122 2.877 11.563 1.00 0.00 H new ATOM 0 HB2 SER A 97 166.481 4.321 13.046 1.00 0.00 H new ATOM 0 HB3 SER A 97 167.401 3.760 14.428 1.00 0.00 H new ATOM 0 HG SER A 97 169.329 4.625 13.359 1.00 0.00 H new ATOM 297 N THR A 98 169.238 0.746 13.072 1.00 0.00 N ATOM 298 CA THR A 98 170.439 0.083 13.673 1.00 0.00 C ATOM 299 C THR A 98 171.709 0.630 13.014 1.00 0.00 C ATOM 300 O THR A 98 172.737 0.773 13.648 1.00 0.00 O ATOM 301 CB THR A 98 170.272 -1.408 13.374 1.00 0.00 C ATOM 302 OG1 THR A 98 170.063 -1.588 11.980 1.00 0.00 O ATOM 303 CG2 THR A 98 169.072 -1.956 14.147 1.00 0.00 C ATOM 0 H THR A 98 168.606 0.130 12.561 1.00 0.00 H new ATOM 0 HA THR A 98 170.524 0.265 14.744 1.00 0.00 H new ATOM 0 HB THR A 98 171.171 -1.943 13.680 1.00 0.00 H new ATOM 0 HG1 THR A 98 169.957 -2.543 11.786 1.00 0.00 H new ATOM 0 HG21 THR A 98 168.955 -3.018 13.932 1.00 0.00 H new ATOM 0 HG22 THR A 98 169.234 -1.818 15.216 1.00 0.00 H new ATOM 0 HG23 THR A 98 168.170 -1.423 13.845 1.00 0.00 H new ATOM 311 N GLY A 99 171.635 0.941 11.746 1.00 0.00 N ATOM 312 CA GLY A 99 172.825 1.489 11.028 1.00 0.00 C ATOM 313 C GLY A 99 173.632 0.358 10.374 1.00 0.00 C ATOM 314 O GLY A 99 174.754 0.563 9.951 1.00 0.00 O ATOM 0 H GLY A 99 170.797 0.838 11.174 1.00 0.00 H new ATOM 0 HA2 GLY A 99 172.502 2.199 10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 99 173.457 2.037 11.727 1.00 0.00 H new ATOM 318 N LYS A 100 173.078 -0.829 10.285 1.00 0.00 N ATOM 319 CA LYS A 100 173.823 -1.960 9.656 1.00 0.00 C ATOM 320 C LYS A 100 172.925 -2.687 8.650 1.00 0.00 C ATOM 321 O LYS A 100 171.719 -2.719 8.799 1.00 0.00 O ATOM 322 CB LYS A 100 174.179 -2.889 10.816 1.00 0.00 C ATOM 323 CG LYS A 100 175.319 -2.274 11.629 1.00 0.00 C ATOM 324 CD LYS A 100 175.921 -3.341 12.544 1.00 0.00 C ATOM 325 CE LYS A 100 177.082 -2.738 13.339 1.00 0.00 C ATOM 326 NZ LYS A 100 178.238 -2.751 12.401 1.00 0.00 N ATOM 0 H LYS A 100 172.143 -1.060 10.621 1.00 0.00 H new ATOM 0 HA LYS A 100 174.706 -1.623 9.113 1.00 0.00 H new ATOM 0 HB2 LYS A 100 173.307 -3.045 11.452 1.00 0.00 H new ATOM 0 HB3 LYS A 100 174.475 -3.867 10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 100 176.084 -1.877 10.962 1.00 0.00 H new ATOM 0 HG3 LYS A 100 174.948 -1.438 12.222 1.00 0.00 H new ATOM 0 HD2 LYS A 100 175.160 -3.723 13.225 1.00 0.00 H new ATOM 0 HD3 LYS A 100 176.272 -4.186 11.952 1.00 0.00 H new ATOM 0 HE2 LYS A 100 176.851 -1.725 13.667 1.00 0.00 H new ATOM 0 HE3 LYS A 100 177.293 -3.323 14.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 179.040 -3.241 12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 177.970 -3.247 11.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 178.512 -1.774 12.174 1.00 0.00 H new ATOM 340 N VAL A 101 173.504 -3.289 7.641 1.00 0.00 N ATOM 341 CA VAL A 101 172.685 -4.035 6.638 1.00 0.00 C ATOM 342 C VAL A 101 173.494 -5.215 6.094 1.00 0.00 C ATOM 343 O VAL A 101 174.708 -5.229 6.171 1.00 0.00 O ATOM 344 CB VAL A 101 172.358 -3.030 5.525 1.00 0.00 C ATOM 345 CG1 VAL A 101 171.498 -3.710 4.458 1.00 0.00 C ATOM 346 CG2 VAL A 101 171.577 -1.851 6.110 1.00 0.00 C ATOM 0 H VAL A 101 174.509 -3.296 7.469 1.00 0.00 H new ATOM 0 HA VAL A 101 171.771 -4.441 7.071 1.00 0.00 H new ATOM 0 HB VAL A 101 173.288 -2.674 5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 101 171.266 -2.996 3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 101 172.043 -4.554 4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 101 170.572 -4.065 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 101 171.346 -1.139 5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 101 170.650 -2.213 6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 101 172.178 -1.360 6.875 1.00 0.00 H new ATOM 356 N SER A 102 172.833 -6.196 5.538 1.00 0.00 N ATOM 357 CA SER A 102 173.559 -7.374 4.977 1.00 0.00 C ATOM 358 C SER A 102 174.120 -7.027 3.598 1.00 0.00 C ATOM 359 O SER A 102 173.511 -6.298 2.840 1.00 0.00 O ATOM 360 CB SER A 102 172.504 -8.473 4.858 1.00 0.00 C ATOM 361 OG SER A 102 171.320 -7.929 4.291 1.00 0.00 O ATOM 0 H SER A 102 171.818 -6.232 5.448 1.00 0.00 H new ATOM 0 HA SER A 102 174.397 -7.681 5.603 1.00 0.00 H new ATOM 0 HB2 SER A 102 172.878 -9.286 4.236 1.00 0.00 H new ATOM 0 HB3 SER A 102 172.290 -8.895 5.840 1.00 0.00 H new ATOM 0 HG SER A 102 170.642 -8.632 4.212 1.00 0.00 H new ATOM 367 N VAL A 103 175.279 -7.540 3.268 1.00 0.00 N ATOM 368 CA VAL A 103 175.890 -7.238 1.931 1.00 0.00 C ATOM 369 C VAL A 103 174.922 -7.613 0.799 1.00 0.00 C ATOM 370 O VAL A 103 174.825 -6.914 -0.192 1.00 0.00 O ATOM 371 CB VAL A 103 177.166 -8.090 1.869 1.00 0.00 C ATOM 372 CG1 VAL A 103 176.812 -9.575 1.989 1.00 0.00 C ATOM 373 CG2 VAL A 103 177.884 -7.843 0.537 1.00 0.00 C ATOM 0 H VAL A 103 175.831 -8.156 3.865 1.00 0.00 H new ATOM 0 HA VAL A 103 176.109 -6.177 1.811 1.00 0.00 H new ATOM 0 HB VAL A 103 177.820 -7.810 2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 103 177.723 -10.171 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 103 176.308 -9.753 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 103 176.152 -9.859 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 103 178.790 -8.448 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 103 177.225 -8.116 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 103 178.148 -6.789 0.456 1.00 0.00 H new ATOM 383 N GLY A 104 174.213 -8.706 0.935 1.00 0.00 N ATOM 384 CA GLY A 104 173.258 -9.123 -0.136 1.00 0.00 C ATOM 385 C GLY A 104 172.201 -8.034 -0.347 1.00 0.00 C ATOM 386 O GLY A 104 171.830 -7.726 -1.463 1.00 0.00 O ATOM 0 H GLY A 104 174.255 -9.328 1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 104 173.797 -9.303 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 104 172.776 -10.061 0.140 1.00 0.00 H new ATOM 390 N ASP A 105 171.725 -7.447 0.723 1.00 0.00 N ATOM 391 CA ASP A 105 170.697 -6.368 0.603 1.00 0.00 C ATOM 392 C ASP A 105 171.360 -5.031 0.265 1.00 0.00 C ATOM 393 O ASP A 105 170.849 -4.254 -0.517 1.00 0.00 O ATOM 394 CB ASP A 105 170.024 -6.304 1.975 1.00 0.00 C ATOM 395 CG ASP A 105 168.747 -5.466 1.882 1.00 0.00 C ATOM 396 OD1 ASP A 105 168.731 -4.529 1.101 1.00 0.00 O ATOM 397 OD2 ASP A 105 167.806 -5.778 2.593 1.00 0.00 O ATOM 0 H ASP A 105 172.006 -7.670 1.678 1.00 0.00 H new ATOM 0 HA ASP A 105 169.981 -6.572 -0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 105 169.787 -7.310 2.322 1.00 0.00 H new ATOM 0 HB3 ASP A 105 170.705 -5.867 2.705 1.00 0.00 H new ATOM 402 N LEU A 106 172.491 -4.756 0.867 1.00 0.00 N ATOM 403 CA LEU A 106 173.194 -3.461 0.605 1.00 0.00 C ATOM 404 C LEU A 106 173.530 -3.334 -0.885 1.00 0.00 C ATOM 405 O LEU A 106 173.261 -2.318 -1.499 1.00 0.00 O ATOM 406 CB LEU A 106 174.478 -3.531 1.441 1.00 0.00 C ATOM 407 CG LEU A 106 175.284 -2.241 1.265 1.00 0.00 C ATOM 408 CD1 LEU A 106 176.074 -1.953 2.543 1.00 0.00 C ATOM 409 CD2 LEU A 106 176.255 -2.405 0.094 1.00 0.00 C ATOM 0 H LEU A 106 172.959 -5.374 1.530 1.00 0.00 H new ATOM 0 HA LEU A 106 172.582 -2.598 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 106 174.230 -3.675 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 106 175.076 -4.389 1.134 1.00 0.00 H new ATOM 0 HG LEU A 106 174.605 -1.413 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 106 176.648 -1.035 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 106 175.384 -1.838 3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 106 176.754 -2.781 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 106 176.830 -1.488 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 106 176.934 -3.233 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 106 175.694 -2.611 -0.818 1.00 0.00 H new ATOM 421 N ARG A 107 174.129 -4.343 -1.464 1.00 0.00 N ATOM 422 CA ARG A 107 174.496 -4.263 -2.912 1.00 0.00 C ATOM 423 C ARG A 107 173.247 -4.228 -3.795 1.00 0.00 C ATOM 424 O ARG A 107 173.268 -3.675 -4.879 1.00 0.00 O ATOM 425 CB ARG A 107 175.334 -5.513 -3.197 1.00 0.00 C ATOM 426 CG ARG A 107 176.302 -5.226 -4.349 1.00 0.00 C ATOM 427 CD ARG A 107 175.663 -5.657 -5.672 1.00 0.00 C ATOM 428 NE ARG A 107 175.998 -7.103 -5.818 1.00 0.00 N ATOM 429 CZ ARG A 107 175.472 -7.799 -6.788 1.00 0.00 C ATOM 430 NH1 ARG A 107 174.204 -8.106 -6.758 1.00 0.00 N ATOM 431 NH2 ARG A 107 176.214 -8.188 -7.789 1.00 0.00 N ATOM 0 H ARG A 107 174.379 -5.216 -1.000 1.00 0.00 H new ATOM 0 HA ARG A 107 175.050 -3.351 -3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 107 175.889 -5.803 -2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 107 174.684 -6.349 -3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 107 176.544 -4.164 -4.379 1.00 0.00 H new ATOM 0 HG3 ARG A 107 177.238 -5.762 -4.193 1.00 0.00 H new ATOM 0 HD2 ARG A 107 174.584 -5.503 -5.656 1.00 0.00 H new ATOM 0 HD3 ARG A 107 176.056 -5.076 -6.506 1.00 0.00 H new ATOM 0 HE ARG A 107 176.638 -7.548 -5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 107 173.624 -7.802 -5.976 1.00 0.00 H new ATOM 0 HH12 ARG A 107 173.793 -8.650 -7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 107 177.205 -7.948 -7.813 1.00 0.00 H new ATOM 0 HH22 ARG A 107 175.803 -8.732 -8.547 1.00 0.00 H new ATOM 445 N TYR A 108 172.163 -4.823 -3.351 1.00 0.00 N ATOM 446 CA TYR A 108 170.927 -4.822 -4.191 1.00 0.00 C ATOM 447 C TYR A 108 170.381 -3.399 -4.334 1.00 0.00 C ATOM 448 O TYR A 108 170.066 -2.960 -5.424 1.00 0.00 O ATOM 449 CB TYR A 108 169.930 -5.729 -3.470 1.00 0.00 C ATOM 450 CG TYR A 108 168.691 -5.889 -4.315 1.00 0.00 C ATOM 451 CD1 TYR A 108 168.607 -6.931 -5.247 1.00 0.00 C ATOM 452 CD2 TYR A 108 167.624 -4.993 -4.170 1.00 0.00 C ATOM 453 CE1 TYR A 108 167.457 -7.078 -6.032 1.00 0.00 C ATOM 454 CE2 TYR A 108 166.474 -5.141 -4.956 1.00 0.00 C ATOM 455 CZ TYR A 108 166.391 -6.183 -5.887 1.00 0.00 C ATOM 456 OH TYR A 108 165.258 -6.328 -6.661 1.00 0.00 O ATOM 0 H TYR A 108 172.083 -5.303 -2.454 1.00 0.00 H new ATOM 0 HA TYR A 108 171.122 -5.182 -5.201 1.00 0.00 H new ATOM 0 HB2 TYR A 108 170.381 -6.703 -3.279 1.00 0.00 H new ATOM 0 HB3 TYR A 108 169.669 -5.303 -2.501 1.00 0.00 H new ATOM 0 HD1 TYR A 108 169.430 -7.621 -5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 108 167.688 -4.188 -3.452 1.00 0.00 H new ATOM 0 HE1 TYR A 108 167.393 -7.882 -6.750 1.00 0.00 H new ATOM 0 HE2 TYR A 108 165.651 -4.451 -4.844 1.00 0.00 H new ATOM 0 HH TYR A 108 164.614 -5.625 -6.434 1.00 0.00 H new ATOM 466 N MET A 109 170.254 -2.677 -3.243 1.00 0.00 N ATOM 467 CA MET A 109 169.714 -1.288 -3.336 1.00 0.00 C ATOM 468 C MET A 109 170.645 -0.421 -4.170 1.00 0.00 C ATOM 469 O MET A 109 170.194 0.366 -4.982 1.00 0.00 O ATOM 470 CB MET A 109 169.650 -0.777 -1.900 1.00 0.00 C ATOM 471 CG MET A 109 168.248 -1.026 -1.330 1.00 0.00 C ATOM 472 SD MET A 109 167.566 0.513 -0.651 1.00 0.00 S ATOM 473 CE MET A 109 167.730 1.517 -2.153 1.00 0.00 C ATOM 0 H MET A 109 170.499 -2.989 -2.303 1.00 0.00 H new ATOM 0 HA MET A 109 168.735 -1.261 -3.814 1.00 0.00 H new ATOM 0 HB2 MET A 109 170.398 -1.283 -1.289 1.00 0.00 H new ATOM 0 HB3 MET A 109 169.882 0.288 -1.871 1.00 0.00 H new ATOM 0 HG2 MET A 109 167.592 -1.409 -2.112 1.00 0.00 H new ATOM 0 HG3 MET A 109 168.294 -1.787 -0.551 1.00 0.00 H new ATOM 0 HE1 MET A 109 167.014 2.338 -2.122 1.00 0.00 H new ATOM 0 HE2 MET A 109 168.741 1.920 -2.213 1.00 0.00 H new ATOM 0 HE3 MET A 109 167.534 0.897 -3.028 1.00 0.00 H new ATOM 483 N LEU A 110 171.939 -0.562 -4.004 1.00 0.00 N ATOM 484 CA LEU A 110 172.884 0.259 -4.825 1.00 0.00 C ATOM 485 C LEU A 110 172.574 0.020 -6.304 1.00 0.00 C ATOM 486 O LEU A 110 172.477 0.940 -7.093 1.00 0.00 O ATOM 487 CB LEU A 110 174.288 -0.252 -4.471 1.00 0.00 C ATOM 488 CG LEU A 110 175.061 0.836 -3.721 1.00 0.00 C ATOM 489 CD1 LEU A 110 174.657 0.827 -2.245 1.00 0.00 C ATOM 490 CD2 LEU A 110 176.563 0.565 -3.837 1.00 0.00 C ATOM 0 H LEU A 110 172.378 -1.203 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 110 172.801 1.328 -4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 110 174.214 -1.149 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 110 174.823 -0.531 -5.379 1.00 0.00 H new ATOM 0 HG LEU A 110 174.830 1.809 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 110 175.208 1.602 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 110 173.587 1.018 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 110 174.887 -0.146 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 110 177.115 1.339 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 110 176.792 -0.408 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 110 176.854 0.571 -4.887 1.00 0.00 H new ATOM 502 N THR A 111 172.380 -1.221 -6.662 1.00 0.00 N ATOM 503 CA THR A 111 172.042 -1.559 -8.081 1.00 0.00 C ATOM 504 C THR A 111 170.737 -0.862 -8.479 1.00 0.00 C ATOM 505 O THR A 111 170.545 -0.473 -9.616 1.00 0.00 O ATOM 506 CB THR A 111 171.873 -3.080 -8.106 1.00 0.00 C ATOM 507 OG1 THR A 111 173.069 -3.694 -7.650 1.00 0.00 O ATOM 508 CG2 THR A 111 171.574 -3.539 -9.534 1.00 0.00 C ATOM 0 H THR A 111 172.441 -2.021 -6.032 1.00 0.00 H new ATOM 0 HA THR A 111 172.810 -1.232 -8.782 1.00 0.00 H new ATOM 0 HB THR A 111 171.046 -3.365 -7.455 1.00 0.00 H new ATOM 0 HG1 THR A 111 173.055 -3.750 -6.672 1.00 0.00 H new ATOM 0 HG21 THR A 111 171.454 -4.622 -9.550 1.00 0.00 H new ATOM 0 HG22 THR A 111 170.656 -3.067 -9.883 1.00 0.00 H new ATOM 0 HG23 THR A 111 172.399 -3.256 -10.188 1.00 0.00 H new ATOM 516 N GLY A 112 169.858 -0.679 -7.532 1.00 0.00 N ATOM 517 CA GLY A 112 168.570 0.021 -7.801 1.00 0.00 C ATOM 518 C GLY A 112 168.750 1.540 -7.649 1.00 0.00 C ATOM 519 O GLY A 112 167.901 2.314 -8.044 1.00 0.00 O ATOM 0 H GLY A 112 169.980 -0.990 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 112 168.224 -0.213 -8.808 1.00 0.00 H new ATOM 0 HA3 GLY A 112 167.804 -0.333 -7.111 1.00 0.00 H new ATOM 523 N LEU A 113 169.834 1.968 -7.044 1.00 0.00 N ATOM 524 CA LEU A 113 170.073 3.425 -6.814 1.00 0.00 C ATOM 525 C LEU A 113 170.961 4.055 -7.903 1.00 0.00 C ATOM 526 O LEU A 113 171.379 5.191 -7.767 1.00 0.00 O ATOM 527 CB LEU A 113 170.797 3.479 -5.465 1.00 0.00 C ATOM 528 CG LEU A 113 170.229 4.615 -4.612 1.00 0.00 C ATOM 529 CD1 LEU A 113 170.888 4.593 -3.233 1.00 0.00 C ATOM 530 CD2 LEU A 113 170.511 5.959 -5.288 1.00 0.00 C ATOM 0 H LEU A 113 170.573 1.357 -6.696 1.00 0.00 H new ATOM 0 HA LEU A 113 169.137 3.983 -6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 113 170.682 2.529 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 113 171.865 3.630 -5.622 1.00 0.00 H new ATOM 0 HG LEU A 113 169.152 4.483 -4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 113 170.484 5.402 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 113 170.686 3.638 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 113 171.965 4.723 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 113 170.105 6.766 -4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 113 171.587 6.093 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 113 170.042 5.977 -6.272 1.00 0.00 H new ATOM 542 N GLY A 114 171.276 3.346 -8.959 1.00 0.00 N ATOM 543 CA GLY A 114 172.161 3.934 -10.018 1.00 0.00 C ATOM 544 C GLY A 114 173.574 3.356 -9.874 1.00 0.00 C ATOM 545 O GLY A 114 174.558 3.998 -10.192 1.00 0.00 O ATOM 0 H GLY A 114 170.962 2.392 -9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 114 171.763 3.709 -11.007 1.00 0.00 H new ATOM 0 HA3 GLY A 114 172.188 5.020 -9.924 1.00 0.00 H new ATOM 549 N GLU A 115 173.667 2.134 -9.425 1.00 0.00 N ATOM 550 CA GLU A 115 175.004 1.474 -9.286 1.00 0.00 C ATOM 551 C GLU A 115 175.127 0.313 -10.273 1.00 0.00 C ATOM 552 O GLU A 115 174.370 -0.637 -10.215 1.00 0.00 O ATOM 553 CB GLU A 115 175.066 0.956 -7.851 1.00 0.00 C ATOM 554 CG GLU A 115 176.529 0.762 -7.433 1.00 0.00 C ATOM 555 CD GLU A 115 176.896 -0.723 -7.519 1.00 0.00 C ATOM 556 OE1 GLU A 115 176.794 -1.275 -8.601 1.00 0.00 O ATOM 557 OE2 GLU A 115 177.270 -1.280 -6.501 1.00 0.00 O ATOM 0 H GLU A 115 172.872 1.559 -9.146 1.00 0.00 H new ATOM 0 HA GLU A 115 175.818 2.168 -9.498 1.00 0.00 H new ATOM 0 HB2 GLU A 115 174.576 1.660 -7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 115 174.527 0.012 -7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 115 177.183 1.347 -8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 115 176.678 1.126 -6.416 1.00 0.00 H new ATOM 564 N LYS A 116 176.088 0.364 -11.161 1.00 0.00 N ATOM 565 CA LYS A 116 176.266 -0.761 -12.126 1.00 0.00 C ATOM 566 C LYS A 116 177.680 -1.329 -12.004 1.00 0.00 C ATOM 567 O LYS A 116 178.439 -1.373 -12.951 1.00 0.00 O ATOM 568 CB LYS A 116 175.984 -0.196 -13.519 1.00 0.00 C ATOM 569 CG LYS A 116 174.508 0.192 -13.623 1.00 0.00 C ATOM 570 CD LYS A 116 174.225 0.757 -15.017 1.00 0.00 C ATOM 571 CE LYS A 116 174.866 2.140 -15.149 1.00 0.00 C ATOM 572 NZ LYS A 116 173.964 2.895 -16.062 1.00 0.00 N ATOM 0 H LYS A 116 176.753 1.131 -11.259 1.00 0.00 H new ATOM 0 HA LYS A 116 175.584 -1.586 -11.923 1.00 0.00 H new ATOM 0 HB2 LYS A 116 176.614 0.674 -13.704 1.00 0.00 H new ATOM 0 HB3 LYS A 116 176.231 -0.936 -14.280 1.00 0.00 H new ATOM 0 HG2 LYS A 116 173.878 -0.678 -13.437 1.00 0.00 H new ATOM 0 HG3 LYS A 116 174.261 0.932 -12.862 1.00 0.00 H new ATOM 0 HD2 LYS A 116 174.622 0.087 -15.780 1.00 0.00 H new ATOM 0 HD3 LYS A 116 173.150 0.826 -15.181 1.00 0.00 H new ATOM 0 HE2 LYS A 116 174.948 2.631 -14.180 1.00 0.00 H new ATOM 0 HE3 LYS A 116 175.874 2.071 -15.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 174.337 3.856 -16.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 173.911 2.407 -16.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 173.014 2.950 -15.643 1.00 0.00 H new ATOM 586 N LEU A 117 178.007 -1.802 -10.831 1.00 0.00 N ATOM 587 CA LEU A 117 179.336 -2.426 -10.585 1.00 0.00 C ATOM 588 C LEU A 117 179.230 -3.924 -10.876 1.00 0.00 C ATOM 589 O LEU A 117 178.189 -4.523 -10.679 1.00 0.00 O ATOM 590 CB LEU A 117 179.634 -2.178 -9.105 1.00 0.00 C ATOM 591 CG LEU A 117 179.675 -0.672 -8.829 1.00 0.00 C ATOM 592 CD1 LEU A 117 179.873 -0.434 -7.330 1.00 0.00 C ATOM 593 CD2 LEU A 117 180.837 -0.039 -9.600 1.00 0.00 C ATOM 0 H LEU A 117 177.394 -1.781 -10.016 1.00 0.00 H new ATOM 0 HA LEU A 117 180.126 -2.016 -11.215 1.00 0.00 H new ATOM 0 HB2 LEU A 117 178.870 -2.650 -8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 117 180.587 -2.632 -8.835 1.00 0.00 H new ATOM 0 HG LEU A 117 178.737 -0.221 -9.151 1.00 0.00 H new ATOM 0 HD11 LEU A 117 179.902 0.638 -7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 117 179.047 -0.882 -6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 117 180.811 -0.888 -7.010 1.00 0.00 H new ATOM 0 HD21 LEU A 117 180.864 1.033 -9.402 1.00 0.00 H new ATOM 0 HD22 LEU A 117 181.776 -0.491 -9.279 1.00 0.00 H new ATOM 0 HD23 LEU A 117 180.699 -0.207 -10.668 1.00 0.00 H new ATOM 605 N THR A 118 180.291 -4.539 -11.329 1.00 0.00 N ATOM 606 CA THR A 118 180.244 -6.003 -11.614 1.00 0.00 C ATOM 607 C THR A 118 181.112 -6.761 -10.608 1.00 0.00 C ATOM 608 O THR A 118 182.154 -6.273 -10.217 1.00 0.00 O ATOM 609 CB THR A 118 180.808 -6.151 -13.026 1.00 0.00 C ATOM 610 OG1 THR A 118 180.209 -5.186 -13.879 1.00 0.00 O ATOM 611 CG2 THR A 118 180.511 -7.557 -13.551 1.00 0.00 C ATOM 0 H THR A 118 181.188 -4.090 -11.514 1.00 0.00 H new ATOM 0 HA THR A 118 179.235 -6.408 -11.535 1.00 0.00 H new ATOM 0 HB THR A 118 181.887 -5.995 -13.005 1.00 0.00 H new ATOM 0 HG1 THR A 118 180.572 -5.280 -14.784 1.00 0.00 H new ATOM 0 HG21 THR A 118 180.914 -7.662 -14.558 1.00 0.00 H new ATOM 0 HG22 THR A 118 180.974 -8.295 -12.896 1.00 0.00 H new ATOM 0 HG23 THR A 118 179.433 -7.717 -13.573 1.00 0.00 H new ATOM 619 N ASP A 119 180.685 -7.923 -10.148 1.00 0.00 N ATOM 620 CA ASP A 119 181.479 -8.703 -9.125 1.00 0.00 C ATOM 621 C ASP A 119 182.995 -8.665 -9.386 1.00 0.00 C ATOM 622 O ASP A 119 183.787 -8.743 -8.464 1.00 0.00 O ATOM 623 CB ASP A 119 180.965 -10.138 -9.250 1.00 0.00 C ATOM 624 CG ASP A 119 181.513 -10.979 -8.096 1.00 0.00 C ATOM 625 OD1 ASP A 119 182.698 -11.273 -8.112 1.00 0.00 O ATOM 626 OD2 ASP A 119 180.740 -11.315 -7.215 1.00 0.00 O ATOM 0 H ASP A 119 179.815 -8.368 -10.439 1.00 0.00 H new ATOM 0 HA ASP A 119 181.346 -8.277 -8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 119 179.875 -10.148 -9.235 1.00 0.00 H new ATOM 0 HB3 ASP A 119 181.275 -10.565 -10.204 1.00 0.00 H new ATOM 631 N ALA A 120 183.404 -8.502 -10.620 1.00 0.00 N ATOM 632 CA ALA A 120 184.865 -8.407 -10.920 1.00 0.00 C ATOM 633 C ALA A 120 185.442 -7.174 -10.215 1.00 0.00 C ATOM 634 O ALA A 120 186.401 -7.266 -9.471 1.00 0.00 O ATOM 635 CB ALA A 120 184.954 -8.239 -12.439 1.00 0.00 C ATOM 0 H ALA A 120 182.790 -8.431 -11.431 1.00 0.00 H new ATOM 0 HA ALA A 120 185.422 -9.280 -10.580 1.00 0.00 H new ATOM 0 HB1 ALA A 120 186.000 -8.162 -12.736 1.00 0.00 H new ATOM 0 HB2 ALA A 120 184.501 -9.101 -12.928 1.00 0.00 H new ATOM 0 HB3 ALA A 120 184.425 -7.334 -12.737 1.00 0.00 H new ATOM 641 N GLU A 121 184.848 -6.026 -10.430 1.00 0.00 N ATOM 642 CA GLU A 121 185.336 -4.783 -9.761 1.00 0.00 C ATOM 643 C GLU A 121 184.891 -4.760 -8.293 1.00 0.00 C ATOM 644 O GLU A 121 185.646 -4.401 -7.409 1.00 0.00 O ATOM 645 CB GLU A 121 184.690 -3.634 -10.536 1.00 0.00 C ATOM 646 CG GLU A 121 185.381 -3.480 -11.893 1.00 0.00 C ATOM 647 CD GLU A 121 184.759 -2.308 -12.653 1.00 0.00 C ATOM 648 OE1 GLU A 121 183.544 -2.265 -12.747 1.00 0.00 O ATOM 649 OE2 GLU A 121 185.509 -1.471 -13.128 1.00 0.00 O ATOM 0 H GLU A 121 184.043 -5.897 -11.043 1.00 0.00 H new ATOM 0 HA GLU A 121 186.424 -4.714 -9.763 1.00 0.00 H new ATOM 0 HB2 GLU A 121 183.627 -3.829 -10.678 1.00 0.00 H new ATOM 0 HB3 GLU A 121 184.771 -2.707 -9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 121 186.448 -3.310 -11.752 1.00 0.00 H new ATOM 0 HG3 GLU A 121 185.278 -4.398 -12.472 1.00 0.00 H new ATOM 656 N VAL A 122 183.666 -5.148 -8.033 1.00 0.00 N ATOM 657 CA VAL A 122 183.152 -5.163 -6.626 1.00 0.00 C ATOM 658 C VAL A 122 184.004 -6.096 -5.760 1.00 0.00 C ATOM 659 O VAL A 122 184.240 -5.818 -4.599 1.00 0.00 O ATOM 660 CB VAL A 122 181.708 -5.679 -6.719 1.00 0.00 C ATOM 661 CG1 VAL A 122 181.082 -5.734 -5.320 1.00 0.00 C ATOM 662 CG2 VAL A 122 180.885 -4.736 -7.597 1.00 0.00 C ATOM 0 H VAL A 122 182.996 -5.457 -8.738 1.00 0.00 H new ATOM 0 HA VAL A 122 183.195 -4.175 -6.167 1.00 0.00 H new ATOM 0 HB VAL A 122 181.715 -6.679 -7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 122 180.058 -6.101 -5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 122 181.663 -6.405 -4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 122 181.079 -4.735 -4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 122 179.860 -5.102 -7.663 1.00 0.00 H new ATOM 0 HG22 VAL A 122 180.886 -3.738 -7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 122 181.321 -4.695 -8.595 1.00 0.00 H new ATOM 672 N ASP A 123 184.473 -7.191 -6.308 1.00 0.00 N ATOM 673 CA ASP A 123 185.314 -8.120 -5.492 1.00 0.00 C ATOM 674 C ASP A 123 186.614 -7.408 -5.103 1.00 0.00 C ATOM 675 O ASP A 123 187.108 -7.561 -4.002 1.00 0.00 O ATOM 676 CB ASP A 123 185.586 -9.334 -6.382 1.00 0.00 C ATOM 677 CG ASP A 123 186.427 -10.355 -5.612 1.00 0.00 C ATOM 678 OD1 ASP A 123 187.575 -10.055 -5.331 1.00 0.00 O ATOM 679 OD2 ASP A 123 185.908 -11.419 -5.318 1.00 0.00 O ATOM 0 H ASP A 123 184.312 -7.479 -7.273 1.00 0.00 H new ATOM 0 HA ASP A 123 184.824 -8.429 -4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 123 184.645 -9.786 -6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 123 186.109 -9.025 -7.287 1.00 0.00 H new ATOM 684 N GLU A 124 187.149 -6.607 -5.992 1.00 0.00 N ATOM 685 CA GLU A 124 188.399 -5.852 -5.670 1.00 0.00 C ATOM 686 C GLU A 124 188.122 -4.878 -4.521 1.00 0.00 C ATOM 687 O GLU A 124 188.842 -4.833 -3.543 1.00 0.00 O ATOM 688 CB GLU A 124 188.744 -5.081 -6.947 1.00 0.00 C ATOM 689 CG GLU A 124 189.207 -6.061 -8.027 1.00 0.00 C ATOM 690 CD GLU A 124 190.528 -6.703 -7.602 1.00 0.00 C ATOM 691 OE1 GLU A 124 191.485 -5.971 -7.409 1.00 0.00 O ATOM 692 OE2 GLU A 124 190.561 -7.916 -7.478 1.00 0.00 O ATOM 0 H GLU A 124 186.774 -6.444 -6.926 1.00 0.00 H new ATOM 0 HA GLU A 124 189.215 -6.506 -5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 124 187.873 -4.525 -7.295 1.00 0.00 H new ATOM 0 HB3 GLU A 124 189.528 -4.351 -6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 124 188.451 -6.830 -8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 124 189.333 -5.540 -8.976 1.00 0.00 H new ATOM 699 N LEU A 125 187.070 -4.104 -4.639 1.00 0.00 N ATOM 700 CA LEU A 125 186.718 -3.128 -3.563 1.00 0.00 C ATOM 701 C LEU A 125 186.462 -3.869 -2.248 1.00 0.00 C ATOM 702 O LEU A 125 186.971 -3.508 -1.204 1.00 0.00 O ATOM 703 CB LEU A 125 185.427 -2.461 -4.047 1.00 0.00 C ATOM 704 CG LEU A 125 185.709 -1.661 -5.320 1.00 0.00 C ATOM 705 CD1 LEU A 125 184.386 -1.265 -5.977 1.00 0.00 C ATOM 706 CD2 LEU A 125 186.501 -0.397 -4.967 1.00 0.00 C ATOM 0 H LEU A 125 186.438 -4.107 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 125 187.515 -2.407 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 125 184.666 -3.217 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 125 185.033 -1.804 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 125 186.290 -2.272 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 125 184.587 -0.695 -6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 125 183.822 -2.163 -6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 125 183.805 -0.654 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 125 186.701 0.172 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 125 185.921 0.215 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 125 187.445 -0.678 -4.499 1.00 0.00 H new ATOM 718 N LEU A 126 185.670 -4.908 -2.306 1.00 0.00 N ATOM 719 CA LEU A 126 185.357 -5.701 -1.077 1.00 0.00 C ATOM 720 C LEU A 126 186.628 -6.326 -0.488 1.00 0.00 C ATOM 721 O LEU A 126 186.638 -6.776 0.643 1.00 0.00 O ATOM 722 CB LEU A 126 184.405 -6.804 -1.544 1.00 0.00 C ATOM 723 CG LEU A 126 182.994 -6.233 -1.690 1.00 0.00 C ATOM 724 CD1 LEU A 126 182.121 -7.234 -2.447 1.00 0.00 C ATOM 725 CD2 LEU A 126 182.395 -5.981 -0.302 1.00 0.00 C ATOM 0 H LEU A 126 185.222 -5.245 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 126 184.922 -5.074 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 126 184.744 -7.212 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 126 184.404 -7.625 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 126 183.037 -5.293 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 126 181.114 -6.831 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 126 182.546 -7.414 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 126 182.080 -8.172 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 126 181.389 -5.574 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 126 182.350 -6.919 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 126 183.019 -5.270 0.240 1.00 0.00 H new ATOM 737 N LYS A 127 187.690 -6.387 -1.258 1.00 0.00 N ATOM 738 CA LYS A 127 188.952 -7.019 -0.761 1.00 0.00 C ATOM 739 C LYS A 127 189.438 -6.346 0.528 1.00 0.00 C ATOM 740 O LYS A 127 190.205 -6.917 1.279 1.00 0.00 O ATOM 741 CB LYS A 127 189.971 -6.783 -1.879 1.00 0.00 C ATOM 742 CG LYS A 127 191.243 -7.582 -1.592 1.00 0.00 C ATOM 743 CD LYS A 127 191.083 -9.006 -2.128 1.00 0.00 C ATOM 744 CE LYS A 127 192.458 -9.575 -2.486 1.00 0.00 C ATOM 745 NZ LYS A 127 193.185 -9.668 -1.190 1.00 0.00 N ATOM 0 H LYS A 127 187.736 -6.025 -2.211 1.00 0.00 H new ATOM 0 HA LYS A 127 188.807 -8.075 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 127 189.549 -7.084 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 127 190.206 -5.721 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 127 192.101 -7.100 -2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 127 191.436 -7.605 -0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 127 190.601 -9.635 -1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 127 190.438 -9.005 -3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 127 192.370 -10.553 -2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 127 192.983 -8.927 -3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 194.004 -10.301 -1.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 193.513 -8.722 -0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 192.547 -10.046 -0.461 1.00 0.00 H new ATOM 759 N GLY A 128 189.000 -5.135 0.787 1.00 0.00 N ATOM 760 CA GLY A 128 189.440 -4.426 2.022 1.00 0.00 C ATOM 761 C GLY A 128 188.232 -4.136 2.918 1.00 0.00 C ATOM 762 O GLY A 128 188.254 -3.213 3.711 1.00 0.00 O ATOM 0 H GLY A 128 188.357 -4.611 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 128 190.166 -5.035 2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 128 189.939 -3.494 1.758 1.00 0.00 H new ATOM 766 N VAL A 129 187.183 -4.917 2.810 1.00 0.00 N ATOM 767 CA VAL A 129 185.983 -4.683 3.670 1.00 0.00 C ATOM 768 C VAL A 129 185.894 -5.772 4.743 1.00 0.00 C ATOM 769 O VAL A 129 185.996 -6.952 4.471 1.00 0.00 O ATOM 770 CB VAL A 129 184.778 -4.722 2.725 1.00 0.00 C ATOM 771 CG1 VAL A 129 183.491 -4.490 3.521 1.00 0.00 C ATOM 772 CG2 VAL A 129 184.924 -3.622 1.671 1.00 0.00 C ATOM 0 H VAL A 129 187.108 -5.704 2.165 1.00 0.00 H new ATOM 0 HA VAL A 129 186.028 -3.729 4.195 1.00 0.00 H new ATOM 0 HB VAL A 129 184.733 -5.696 2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 129 182.636 -4.518 2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 129 183.384 -5.270 4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 129 183.536 -3.517 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 129 184.068 -3.648 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 129 184.970 -2.650 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 129 185.839 -3.783 1.101 1.00 0.00 H new ATOM 782 N GLU A 130 185.729 -5.354 5.969 1.00 0.00 N ATOM 783 CA GLU A 130 185.657 -6.319 7.110 1.00 0.00 C ATOM 784 C GLU A 130 184.214 -6.588 7.559 1.00 0.00 C ATOM 785 O GLU A 130 183.622 -5.832 8.304 1.00 0.00 O ATOM 786 CB GLU A 130 186.464 -5.668 8.243 1.00 0.00 C ATOM 787 CG GLU A 130 185.863 -4.306 8.595 1.00 0.00 C ATOM 788 CD GLU A 130 185.445 -4.277 10.069 1.00 0.00 C ATOM 789 OE1 GLU A 130 184.645 -5.114 10.455 1.00 0.00 O ATOM 790 OE2 GLU A 130 185.933 -3.420 10.786 1.00 0.00 O ATOM 0 H GLU A 130 185.640 -4.373 6.234 1.00 0.00 H new ATOM 0 HA GLU A 130 186.056 -7.291 6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 130 186.461 -6.314 9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 130 187.504 -5.549 7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 130 186.591 -3.518 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 130 184.999 -4.106 7.961 1.00 0.00 H new ATOM 797 N VAL A 131 183.668 -7.700 7.136 1.00 0.00 N ATOM 798 CA VAL A 131 182.289 -8.080 7.556 1.00 0.00 C ATOM 799 C VAL A 131 182.369 -8.766 8.926 1.00 0.00 C ATOM 800 O VAL A 131 183.417 -9.244 9.319 1.00 0.00 O ATOM 801 CB VAL A 131 181.785 -9.046 6.474 1.00 0.00 C ATOM 802 CG1 VAL A 131 182.711 -10.267 6.367 1.00 0.00 C ATOM 803 CG2 VAL A 131 180.375 -9.511 6.834 1.00 0.00 C ATOM 0 H VAL A 131 184.125 -8.365 6.512 1.00 0.00 H new ATOM 0 HA VAL A 131 181.616 -7.228 7.653 1.00 0.00 H new ATOM 0 HB VAL A 131 181.776 -8.528 5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 131 182.338 -10.940 5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 131 183.717 -9.939 6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 131 182.736 -10.790 7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 131 180.012 -10.197 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 131 180.395 -10.019 7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 131 179.711 -8.648 6.892 1.00 0.00 H new ATOM 813 N ASP A 132 181.286 -8.800 9.660 1.00 0.00 N ATOM 814 CA ASP A 132 181.320 -9.435 11.013 1.00 0.00 C ATOM 815 C ASP A 132 180.846 -10.890 10.960 1.00 0.00 C ATOM 816 O ASP A 132 180.522 -11.421 9.916 1.00 0.00 O ATOM 817 CB ASP A 132 180.369 -8.596 11.865 1.00 0.00 C ATOM 818 CG ASP A 132 180.954 -7.197 12.065 1.00 0.00 C ATOM 819 OD1 ASP A 132 182.168 -7.088 12.143 1.00 0.00 O ATOM 820 OD2 ASP A 132 180.181 -6.257 12.136 1.00 0.00 O ATOM 0 H ASP A 132 180.382 -8.417 9.383 1.00 0.00 H new ATOM 0 HA ASP A 132 182.332 -9.460 11.418 1.00 0.00 H new ATOM 0 HB2 ASP A 132 179.395 -8.528 11.380 1.00 0.00 H new ATOM 0 HB3 ASP A 132 180.211 -9.076 12.831 1.00 0.00 H new ATOM 825 N SER A 133 180.819 -11.534 12.100 1.00 0.00 N ATOM 826 CA SER A 133 180.385 -12.964 12.169 1.00 0.00 C ATOM 827 C SER A 133 178.871 -13.119 11.929 1.00 0.00 C ATOM 828 O SER A 133 178.363 -14.224 11.903 1.00 0.00 O ATOM 829 CB SER A 133 180.744 -13.415 13.584 1.00 0.00 C ATOM 830 OG SER A 133 182.069 -12.998 13.887 1.00 0.00 O ATOM 0 H SER A 133 181.082 -11.125 12.997 1.00 0.00 H new ATOM 0 HA SER A 133 180.872 -13.560 11.398 1.00 0.00 H new ATOM 0 HB2 SER A 133 180.043 -12.990 14.303 1.00 0.00 H new ATOM 0 HB3 SER A 133 180.664 -14.499 13.664 1.00 0.00 H new ATOM 0 HG SER A 133 182.302 -13.284 14.795 1.00 0.00 H new ATOM 836 N ASN A 134 178.150 -12.038 11.734 1.00 0.00 N ATOM 837 CA ASN A 134 176.685 -12.147 11.473 1.00 0.00 C ATOM 838 C ASN A 134 176.377 -11.830 10.000 1.00 0.00 C ATOM 839 O ASN A 134 175.283 -12.075 9.527 1.00 0.00 O ATOM 840 CB ASN A 134 176.033 -11.118 12.397 1.00 0.00 C ATOM 841 CG ASN A 134 174.557 -11.469 12.592 1.00 0.00 C ATOM 842 OD1 ASN A 134 173.711 -11.028 11.839 1.00 0.00 O ATOM 843 ND2 ASN A 134 174.208 -12.249 13.579 1.00 0.00 N ATOM 0 H ASN A 134 178.517 -11.086 11.745 1.00 0.00 H new ATOM 0 HA ASN A 134 176.310 -13.153 11.662 1.00 0.00 H new ATOM 0 HB2 ASN A 134 176.544 -11.103 13.360 1.00 0.00 H new ATOM 0 HB3 ASN A 134 176.127 -10.119 11.970 1.00 0.00 H new ATOM 0 HD21 ASN A 134 173.226 -12.488 13.718 1.00 0.00 H new ATOM 0 HD22 ASN A 134 174.917 -12.620 14.211 1.00 0.00 H new ATOM 850 N GLY A 135 177.331 -11.295 9.272 1.00 0.00 N ATOM 851 CA GLY A 135 177.091 -10.972 7.835 1.00 0.00 C ATOM 852 C GLY A 135 176.552 -9.545 7.708 1.00 0.00 C ATOM 853 O GLY A 135 175.810 -9.231 6.797 1.00 0.00 O ATOM 0 H GLY A 135 178.265 -11.070 9.615 1.00 0.00 H new ATOM 0 HA2 GLY A 135 178.018 -11.072 7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 135 176.380 -11.679 7.408 1.00 0.00 H new ATOM 857 N GLU A 136 176.911 -8.685 8.629 1.00 0.00 N ATOM 858 CA GLU A 136 176.410 -7.280 8.581 1.00 0.00 C ATOM 859 C GLU A 136 177.541 -6.301 8.255 1.00 0.00 C ATOM 860 O GLU A 136 178.626 -6.375 8.801 1.00 0.00 O ATOM 861 CB GLU A 136 175.855 -7.011 9.979 1.00 0.00 C ATOM 862 CG GLU A 136 174.635 -7.902 10.224 1.00 0.00 C ATOM 863 CD GLU A 136 174.080 -7.633 11.624 1.00 0.00 C ATOM 864 OE1 GLU A 136 174.865 -7.613 12.559 1.00 0.00 O ATOM 865 OE2 GLU A 136 172.879 -7.451 11.739 1.00 0.00 O ATOM 0 H GLU A 136 177.530 -8.897 9.412 1.00 0.00 H new ATOM 0 HA GLU A 136 175.657 -7.147 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 136 176.620 -7.209 10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 136 175.577 -5.961 10.076 1.00 0.00 H new ATOM 0 HG2 GLU A 136 173.870 -7.704 9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 136 174.912 -8.952 10.127 1.00 0.00 H new ATOM 872 N ILE A 137 177.273 -5.377 7.373 1.00 0.00 N ATOM 873 CA ILE A 137 178.296 -4.360 6.992 1.00 0.00 C ATOM 874 C ILE A 137 177.705 -2.960 7.195 1.00 0.00 C ATOM 875 O ILE A 137 176.515 -2.812 7.409 1.00 0.00 O ATOM 876 CB ILE A 137 178.599 -4.638 5.513 1.00 0.00 C ATOM 877 CG1 ILE A 137 179.278 -6.005 5.386 1.00 0.00 C ATOM 878 CG2 ILE A 137 179.537 -3.561 4.954 1.00 0.00 C ATOM 879 CD1 ILE A 137 178.220 -7.101 5.240 1.00 0.00 C ATOM 0 H ILE A 137 176.378 -5.282 6.894 1.00 0.00 H new ATOM 0 HA ILE A 137 179.205 -4.412 7.591 1.00 0.00 H new ATOM 0 HB ILE A 137 177.665 -4.628 4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 137 179.943 -6.012 4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 137 179.895 -6.197 6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 137 179.745 -3.769 3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 137 179.063 -2.584 5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 137 180.471 -3.564 5.516 1.00 0.00 H new ATOM 0 HD11 ILE A 137 178.710 -8.070 5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 137 177.573 -7.101 6.117 1.00 0.00 H new ATOM 0 HD13 ILE A 137 177.622 -6.913 4.348 1.00 0.00 H new ATOM 891 N ASP A 138 178.520 -1.938 7.134 1.00 0.00 N ATOM 892 CA ASP A 138 177.995 -0.551 7.329 1.00 0.00 C ATOM 893 C ASP A 138 177.760 0.121 5.970 1.00 0.00 C ATOM 894 O ASP A 138 178.690 0.391 5.235 1.00 0.00 O ATOM 895 CB ASP A 138 179.087 0.181 8.109 1.00 0.00 C ATOM 896 CG ASP A 138 178.506 1.457 8.721 1.00 0.00 C ATOM 897 OD1 ASP A 138 177.730 2.114 8.048 1.00 0.00 O ATOM 898 OD2 ASP A 138 178.845 1.752 9.855 1.00 0.00 O ATOM 0 H ASP A 138 179.523 -2.002 6.958 1.00 0.00 H new ATOM 0 HA ASP A 138 177.042 -0.540 7.858 1.00 0.00 H new ATOM 0 HB2 ASP A 138 179.483 -0.464 8.893 1.00 0.00 H new ATOM 0 HB3 ASP A 138 179.918 0.427 7.448 1.00 0.00 H new ATOM 903 N TYR A 139 176.523 0.366 5.624 1.00 0.00 N ATOM 904 CA TYR A 139 176.213 0.994 4.300 1.00 0.00 C ATOM 905 C TYR A 139 176.741 2.430 4.203 1.00 0.00 C ATOM 906 O TYR A 139 177.126 2.877 3.139 1.00 0.00 O ATOM 907 CB TYR A 139 174.681 0.979 4.183 1.00 0.00 C ATOM 908 CG TYR A 139 174.039 1.772 5.300 1.00 0.00 C ATOM 909 CD1 TYR A 139 173.902 3.162 5.189 1.00 0.00 C ATOM 910 CD2 TYR A 139 173.558 1.113 6.436 1.00 0.00 C ATOM 911 CE1 TYR A 139 173.287 3.889 6.216 1.00 0.00 C ATOM 912 CE2 TYR A 139 172.946 1.838 7.463 1.00 0.00 C ATOM 913 CZ TYR A 139 172.808 3.226 7.354 1.00 0.00 C ATOM 914 OH TYR A 139 172.202 3.942 8.366 1.00 0.00 O ATOM 0 H TYR A 139 175.709 0.158 6.202 1.00 0.00 H new ATOM 0 HA TYR A 139 176.696 0.444 3.493 1.00 0.00 H new ATOM 0 HB2 TYR A 139 174.383 1.395 3.221 1.00 0.00 H new ATOM 0 HB3 TYR A 139 174.322 -0.050 4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 139 174.271 3.673 4.312 1.00 0.00 H new ATOM 0 HD2 TYR A 139 173.660 0.041 6.520 1.00 0.00 H new ATOM 0 HE1 TYR A 139 173.182 4.961 6.131 1.00 0.00 H new ATOM 0 HE2 TYR A 139 172.580 1.326 8.341 1.00 0.00 H new ATOM 0 HH TYR A 139 171.346 3.523 8.596 1.00 0.00 H new ATOM 924 N LYS A 140 176.741 3.168 5.287 1.00 0.00 N ATOM 925 CA LYS A 140 177.219 4.586 5.224 1.00 0.00 C ATOM 926 C LYS A 140 178.734 4.644 5.002 1.00 0.00 C ATOM 927 O LYS A 140 179.234 5.480 4.273 1.00 0.00 O ATOM 928 CB LYS A 140 176.853 5.203 6.584 1.00 0.00 C ATOM 929 CG LYS A 140 175.799 6.297 6.392 1.00 0.00 C ATOM 930 CD LYS A 140 175.417 6.880 7.754 1.00 0.00 C ATOM 931 CE LYS A 140 174.243 7.846 7.586 1.00 0.00 C ATOM 932 NZ LYS A 140 174.102 8.514 8.909 1.00 0.00 N ATOM 0 H LYS A 140 176.433 2.853 6.207 1.00 0.00 H new ATOM 0 HA LYS A 140 176.761 5.125 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 140 176.471 4.431 7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 140 177.743 5.621 7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 140 176.188 7.082 5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 140 174.918 5.886 5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 140 175.146 6.078 8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 140 176.270 7.400 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 140 174.439 8.571 6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 140 173.331 7.315 7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 173.315 9.193 8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 173.910 7.800 9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 174.983 9.017 9.140 1.00 0.00 H new ATOM 946 N LYS A 141 179.464 3.772 5.647 1.00 0.00 N ATOM 947 CA LYS A 141 180.952 3.776 5.507 1.00 0.00 C ATOM 948 C LYS A 141 181.381 3.377 4.092 1.00 0.00 C ATOM 949 O LYS A 141 182.282 3.964 3.520 1.00 0.00 O ATOM 950 CB LYS A 141 181.455 2.745 6.519 1.00 0.00 C ATOM 951 CG LYS A 141 181.244 3.276 7.937 1.00 0.00 C ATOM 952 CD LYS A 141 181.753 2.247 8.948 1.00 0.00 C ATOM 953 CE LYS A 141 181.564 2.785 10.368 1.00 0.00 C ATOM 954 NZ LYS A 141 181.942 1.655 11.261 1.00 0.00 N ATOM 0 H LYS A 141 179.092 3.053 6.268 1.00 0.00 H new ATOM 0 HA LYS A 141 181.362 4.770 5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 141 180.922 1.803 6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 141 182.512 2.540 6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 141 181.773 4.220 8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 141 180.186 3.477 8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 141 181.213 1.308 8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 141 182.806 2.034 8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 141 182.193 3.657 10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 141 180.533 3.095 10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 181.838 1.947 12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 181.322 0.842 11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 182.930 1.386 11.081 1.00 0.00 H new ATOM 968 N PHE A 142 180.768 2.360 3.542 1.00 0.00 N ATOM 969 CA PHE A 142 181.166 1.889 2.180 1.00 0.00 C ATOM 970 C PHE A 142 180.723 2.881 1.107 1.00 0.00 C ATOM 971 O PHE A 142 181.331 2.979 0.061 1.00 0.00 O ATOM 972 CB PHE A 142 180.475 0.537 1.995 1.00 0.00 C ATOM 973 CG PHE A 142 181.096 -0.196 0.832 1.00 0.00 C ATOM 974 CD1 PHE A 142 182.470 -0.466 0.828 1.00 0.00 C ATOM 975 CD2 PHE A 142 180.298 -0.610 -0.240 1.00 0.00 C ATOM 976 CE1 PHE A 142 183.046 -1.150 -0.250 1.00 0.00 C ATOM 977 CE2 PHE A 142 180.874 -1.296 -1.318 1.00 0.00 C ATOM 978 CZ PHE A 142 182.248 -1.565 -1.321 1.00 0.00 C ATOM 0 H PHE A 142 180.009 1.835 3.977 1.00 0.00 H new ATOM 0 HA PHE A 142 182.248 1.802 2.086 1.00 0.00 H new ATOM 0 HB2 PHE A 142 180.568 -0.057 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 142 179.409 0.683 1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 142 183.086 -0.147 1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 142 179.238 -0.401 -0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 142 184.106 -1.357 -0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 142 180.259 -1.617 -2.146 1.00 0.00 H new ATOM 0 HZ PHE A 142 182.692 -2.094 -2.151 1.00 0.00 H new ATOM 988 N ILE A 143 179.670 3.615 1.354 1.00 0.00 N ATOM 989 CA ILE A 143 179.187 4.603 0.343 1.00 0.00 C ATOM 990 C ILE A 143 179.962 5.922 0.467 1.00 0.00 C ATOM 991 O ILE A 143 180.482 6.437 -0.504 1.00 0.00 O ATOM 992 CB ILE A 143 177.702 4.799 0.680 1.00 0.00 C ATOM 993 CG1 ILE A 143 176.951 3.486 0.450 1.00 0.00 C ATOM 994 CG2 ILE A 143 177.096 5.882 -0.213 1.00 0.00 C ATOM 995 CD1 ILE A 143 175.537 3.599 1.024 1.00 0.00 C ATOM 0 H ILE A 143 179.122 3.573 2.213 1.00 0.00 H new ATOM 0 HA ILE A 143 179.333 4.261 -0.682 1.00 0.00 H new ATOM 0 HB ILE A 143 177.614 5.102 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 143 176.905 3.263 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 143 177.483 2.662 0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 143 176.043 6.011 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 143 177.624 6.822 -0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 143 177.188 5.586 -1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 143 175.002 2.664 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 143 175.594 3.802 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 143 175.007 4.412 0.528 1.00 0.00 H new ATOM 1007 N GLU A 144 180.038 6.467 1.652 1.00 0.00 N ATOM 1008 CA GLU A 144 180.772 7.758 1.851 1.00 0.00 C ATOM 1009 C GLU A 144 182.254 7.608 1.494 1.00 0.00 C ATOM 1010 O GLU A 144 182.900 8.572 1.125 1.00 0.00 O ATOM 1011 CB GLU A 144 180.621 8.078 3.338 1.00 0.00 C ATOM 1012 CG GLU A 144 179.168 8.461 3.635 1.00 0.00 C ATOM 1013 CD GLU A 144 179.011 8.782 5.124 1.00 0.00 C ATOM 1014 OE1 GLU A 144 179.971 9.250 5.717 1.00 0.00 O ATOM 1015 OE2 GLU A 144 177.932 8.559 5.646 1.00 0.00 O ATOM 0 H GLU A 144 179.622 6.074 2.497 1.00 0.00 H new ATOM 0 HA GLU A 144 180.374 8.547 1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 144 180.910 7.215 3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 144 181.287 8.895 3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 144 178.880 9.324 3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 144 178.503 7.643 3.358 1.00 0.00 H new ATOM 1022 N ASP A 145 182.800 6.422 1.594 1.00 0.00 N ATOM 1023 CA ASP A 145 184.243 6.243 1.250 1.00 0.00 C ATOM 1024 C ASP A 145 184.414 5.918 -0.243 1.00 0.00 C ATOM 1025 O ASP A 145 185.495 6.063 -0.785 1.00 0.00 O ATOM 1026 CB ASP A 145 184.746 5.100 2.133 1.00 0.00 C ATOM 1027 CG ASP A 145 186.245 4.897 1.900 1.00 0.00 C ATOM 1028 OD1 ASP A 145 186.602 4.438 0.829 1.00 0.00 O ATOM 1029 OD2 ASP A 145 187.010 5.203 2.800 1.00 0.00 O ATOM 0 H ASP A 145 182.314 5.578 1.896 1.00 0.00 H new ATOM 0 HA ASP A 145 184.814 7.154 1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 145 184.558 5.327 3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 145 184.204 4.183 1.903 1.00 0.00 H new ATOM 1034 N VAL A 146 183.364 5.520 -0.920 1.00 0.00 N ATOM 1035 CA VAL A 146 183.479 5.233 -2.384 1.00 0.00 C ATOM 1036 C VAL A 146 183.012 6.463 -3.178 1.00 0.00 C ATOM 1037 O VAL A 146 183.620 6.855 -4.155 1.00 0.00 O ATOM 1038 CB VAL A 146 182.573 4.018 -2.630 1.00 0.00 C ATOM 1039 CG1 VAL A 146 182.463 3.732 -4.133 1.00 0.00 C ATOM 1040 CG2 VAL A 146 183.175 2.795 -1.935 1.00 0.00 C ATOM 0 H VAL A 146 182.435 5.382 -0.523 1.00 0.00 H new ATOM 0 HA VAL A 146 184.500 5.022 -2.701 1.00 0.00 H new ATOM 0 HB VAL A 146 181.580 4.230 -2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 146 181.818 2.868 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 146 182.039 4.600 -4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 146 183.454 3.525 -4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 146 182.536 1.928 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 146 184.168 2.599 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 146 183.250 2.985 -0.864 1.00 0.00 H new ATOM 1050 N LEU A 147 181.930 7.065 -2.754 1.00 0.00 N ATOM 1051 CA LEU A 147 181.394 8.271 -3.462 1.00 0.00 C ATOM 1052 C LEU A 147 182.343 9.471 -3.338 1.00 0.00 C ATOM 1053 O LEU A 147 182.230 10.432 -4.076 1.00 0.00 O ATOM 1054 CB LEU A 147 180.054 8.582 -2.781 1.00 0.00 C ATOM 1055 CG LEU A 147 178.900 7.887 -3.523 1.00 0.00 C ATOM 1056 CD1 LEU A 147 178.812 8.406 -4.967 1.00 0.00 C ATOM 1057 CD2 LEU A 147 179.124 6.369 -3.527 1.00 0.00 C ATOM 0 H LEU A 147 181.389 6.771 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 147 181.284 8.079 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 147 180.080 8.249 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 147 179.888 9.659 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 147 177.964 8.110 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 147 177.992 7.907 -5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 147 178.634 9.481 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 147 179.748 8.198 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 147 178.304 5.882 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 147 180.064 6.141 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 147 179.164 6.004 -2.501 1.00 0.00 H new ATOM 1069 N ARG A 148 183.275 9.425 -2.417 1.00 0.00 N ATOM 1070 CA ARG A 148 184.231 10.568 -2.255 1.00 0.00 C ATOM 1071 C ARG A 148 185.018 10.783 -3.553 1.00 0.00 C ATOM 1072 O ARG A 148 185.476 9.841 -4.172 1.00 0.00 O ATOM 1073 CB ARG A 148 185.178 10.141 -1.127 1.00 0.00 C ATOM 1074 CG ARG A 148 184.782 10.843 0.174 1.00 0.00 C ATOM 1075 CD ARG A 148 185.787 10.488 1.274 1.00 0.00 C ATOM 1076 NE ARG A 148 185.447 11.381 2.419 1.00 0.00 N ATOM 1077 CZ ARG A 148 186.060 11.236 3.563 1.00 0.00 C ATOM 1078 NH1 ARG A 148 186.169 10.051 4.099 1.00 0.00 N ATOM 1079 NH2 ARG A 148 186.561 12.276 4.171 1.00 0.00 N ATOM 0 H ARG A 148 183.416 8.648 -1.771 1.00 0.00 H new ATOM 0 HA ARG A 148 183.719 11.503 -2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 148 185.137 9.060 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 148 186.206 10.392 -1.388 1.00 0.00 H new ATOM 0 HG2 ARG A 148 184.757 11.922 0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 148 183.778 10.540 0.472 1.00 0.00 H new ATOM 0 HD2 ARG A 148 185.707 9.438 1.556 1.00 0.00 H new ATOM 0 HD3 ARG A 148 186.811 10.651 0.939 1.00 0.00 H new ATOM 0 HE ARG A 148 184.736 12.104 2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 148 185.775 9.238 3.624 1.00 0.00 H new ATOM 0 HH12 ARG A 148 186.648 9.937 4.992 1.00 0.00 H new ATOM 0 HH21 ARG A 148 186.474 13.202 3.753 1.00 0.00 H new ATOM 0 HH22 ARG A 148 187.040 12.163 5.065 1.00 0.00 H new ATOM 1093 N GLN A 149 185.174 12.015 -3.964 1.00 0.00 N ATOM 1094 CA GLN A 149 185.930 12.302 -5.220 1.00 0.00 C ATOM 1095 C GLN A 149 186.517 13.717 -5.176 1.00 0.00 C ATOM 1096 O GLN A 149 187.498 13.952 -5.862 1.00 0.00 O ATOM 1097 CB GLN A 149 184.901 12.175 -6.350 1.00 0.00 C ATOM 1098 CG GLN A 149 183.748 13.160 -6.127 1.00 0.00 C ATOM 1099 CD GLN A 149 182.831 13.161 -7.351 1.00 0.00 C ATOM 1100 OE1 GLN A 149 182.427 12.116 -7.822 1.00 0.00 O ATOM 1101 NE2 GLN A 149 182.483 14.297 -7.890 1.00 0.00 N ATOM 1102 OXT GLN A 149 185.975 14.539 -4.456 1.00 0.00 O ATOM 0 H GLN A 149 184.809 12.837 -3.483 1.00 0.00 H new ATOM 0 HA GLN A 149 186.767 11.618 -5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 149 185.378 12.373 -7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 149 184.516 11.156 -6.389 1.00 0.00 H new ATOM 0 HG2 GLN A 149 183.184 12.880 -5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 149 184.141 14.162 -5.953 1.00 0.00 H new ATOM 0 HE21 GLN A 149 182.822 15.174 -7.495 1.00 0.00 H new ATOM 0 HE22 GLN A 149 181.872 14.308 -8.707 1.00 0.00 H new TER 1111 GLN A 149