USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 471 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 Set 1.1: A 155 GLN : amide:sc= -10.3! C(o=-23!,f=-38!) USER MOD Set 1.2: A 195 ASN : amide:sc= -11.7! C(o=-23!,f=-29!) USER MOD Set 1.3: A 218 CYS SG : rot 161:sc= -1.41 USER MOD Single : A 149 SER OG : rot -139:sc= -1.3 USER MOD Single : A 164 TYR OH : rot -176:sc= 0.628 USER MOD Single : A 169 TYR OH : rot 180:sc= -0.0183 USER MOD Single : A 170 LYS NZ :NH3+ -130:sc= -0.328 (180deg=-1.95!) USER MOD Single : A 171 THR OG1 : rot 82:sc= -1 USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.0967 X(o=-0.097,f=-0.017) USER MOD Single : A 193 ASN :FLIP amide:sc= -6.88! C(o=-8.9!,f=-6.9!) USER MOD Single : A 198 CYS SG : rot 180:sc= -0.612 USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 214 MET CE :methyl -161:sc= -0.118 (180deg=-0.769) USER MOD Single : A 215 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc=-0.00886 X(o=-0.0089,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -12.116 7.114 7.018 1.00 0.00 N ATOM 16 CA SER A 149 -11.537 5.967 7.695 1.00 0.00 C ATOM 17 C SER A 149 -10.525 5.275 6.782 1.00 0.00 C ATOM 18 O SER A 149 -10.905 4.607 5.822 1.00 0.00 O ATOM 19 CB SER A 149 -12.622 4.979 8.131 1.00 0.00 C ATOM 20 OG SER A 149 -12.221 4.211 9.263 1.00 0.00 O ATOM 0 HA SER A 149 -11.025 6.321 8.590 1.00 0.00 H new ATOM 0 HB2 SER A 149 -13.535 5.525 8.368 1.00 0.00 H new ATOM 0 HB3 SER A 149 -12.857 4.310 7.303 1.00 0.00 H new ATOM 0 HG SER A 149 -12.508 3.281 9.146 1.00 0.00 H new ATOM 26 N ILE A 150 -9.255 5.459 7.111 1.00 0.00 N ATOM 27 CA ILE A 150 -8.185 4.860 6.331 1.00 0.00 C ATOM 28 C ILE A 150 -7.964 3.420 6.797 1.00 0.00 C ATOM 29 O ILE A 150 -7.367 2.617 6.081 1.00 0.00 O ATOM 30 CB ILE A 150 -6.926 5.727 6.395 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.277 7.213 6.283 1.00 0.00 C ATOM 32 CG2 ILE A 150 -5.909 5.297 5.336 1.00 0.00 C ATOM 33 CD1 ILE A 150 -7.672 7.575 4.849 1.00 0.00 C ATOM 0 H ILE A 150 -8.943 6.015 7.907 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.461 4.815 5.277 1.00 0.00 H new ATOM 0 HB ILE A 150 -6.459 5.579 7.369 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.097 7.449 6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.424 7.817 6.593 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.024 5.930 5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.626 4.258 5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.351 5.397 4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -7.917 8.636 4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.841 7.360 4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.540 6.987 4.551 1.00 0.00 H new ATOM 45 N LEU A 151 -8.457 3.137 7.995 1.00 0.00 N ATOM 46 CA LEU A 151 -8.321 1.807 8.564 1.00 0.00 C ATOM 47 C LEU A 151 -9.081 0.804 7.694 1.00 0.00 C ATOM 48 O LEU A 151 -8.679 -0.352 7.578 1.00 0.00 O ATOM 49 CB LEU A 151 -8.757 1.806 10.030 1.00 0.00 C ATOM 50 CG LEU A 151 -10.092 2.490 10.334 1.00 0.00 C ATOM 51 CD1 LEU A 151 -11.074 1.513 10.983 1.00 0.00 C ATOM 52 CD2 LEU A 151 -9.885 3.745 11.185 1.00 0.00 C ATOM 0 H LEU A 151 -8.951 3.806 8.586 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.276 1.498 8.566 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.816 0.772 10.370 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -7.980 2.292 10.620 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.533 2.811 9.390 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.014 2.025 11.188 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -11.256 0.677 10.307 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.653 1.140 11.916 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -10.849 4.211 11.386 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -9.411 3.471 12.127 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -9.247 4.447 10.648 1.00 0.00 H new ATOM 64 N ASP A 152 -10.167 1.284 7.107 1.00 0.00 N ATOM 65 CA ASP A 152 -10.987 0.443 6.251 1.00 0.00 C ATOM 66 C ASP A 152 -10.217 0.121 4.968 1.00 0.00 C ATOM 67 O ASP A 152 -10.501 -0.873 4.302 1.00 0.00 O ATOM 68 CB ASP A 152 -12.282 1.156 5.857 1.00 0.00 C ATOM 69 CG ASP A 152 -13.358 0.253 5.250 1.00 0.00 C ATOM 70 OD1 ASP A 152 -14.213 -0.292 5.965 1.00 0.00 O ATOM 71 OD2 ASP A 152 -13.296 0.117 3.969 1.00 0.00 O ATOM 0 H ASP A 152 -10.498 2.244 7.207 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.227 -0.466 6.803 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.694 1.643 6.741 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.043 1.943 5.141 1.00 0.00 H new ATOM 77 N ILE A 153 -9.256 0.981 4.662 1.00 0.00 N ATOM 78 CA ILE A 153 -8.443 0.800 3.472 1.00 0.00 C ATOM 79 C ILE A 153 -7.418 -0.307 3.723 1.00 0.00 C ATOM 80 O ILE A 153 -6.587 -0.197 4.624 1.00 0.00 O ATOM 81 CB ILE A 153 -7.819 2.129 3.043 1.00 0.00 C ATOM 82 CG1 ILE A 153 -8.880 3.079 2.483 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.674 1.904 2.054 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.079 3.179 3.429 1.00 0.00 C ATOM 0 H ILE A 153 -9.023 1.804 5.217 1.00 0.00 H new ATOM 0 HA ILE A 153 -9.061 0.478 2.634 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.393 2.606 3.926 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.446 4.068 2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.211 2.726 1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.248 2.865 1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.903 1.292 2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -7.053 1.395 1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.819 3.860 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.525 2.193 3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.748 3.556 4.397 1.00 0.00 H new ATOM 96 N ARG A 154 -7.510 -1.351 2.911 1.00 0.00 N ATOM 97 CA ARG A 154 -6.601 -2.477 3.035 1.00 0.00 C ATOM 98 C ARG A 154 -6.434 -3.174 1.682 1.00 0.00 C ATOM 99 O ARG A 154 -7.226 -2.959 0.766 1.00 0.00 O ATOM 100 CB ARG A 154 -7.115 -3.489 4.062 1.00 0.00 C ATOM 101 CG ARG A 154 -8.476 -4.050 3.646 1.00 0.00 C ATOM 102 CD ARG A 154 -9.044 -4.968 4.730 1.00 0.00 C ATOM 103 NE ARG A 154 -9.730 -6.123 4.106 1.00 0.00 N ATOM 104 CZ ARG A 154 -10.573 -6.946 4.763 1.00 0.00 C ATOM 105 NH1 ARG A 154 -10.843 -6.749 6.071 1.00 0.00 N ATOM 106 NH2 ARG A 154 -11.129 -7.948 4.107 1.00 0.00 N ATOM 0 H ARG A 154 -8.200 -1.440 2.165 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.638 -2.092 3.372 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -6.398 -4.304 4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.198 -3.011 5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -9.169 -3.230 3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -8.376 -4.603 2.712 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -8.241 -5.318 5.379 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -9.743 -4.415 5.357 1.00 0.00 H new ATOM 0 HE ARG A 154 -9.554 -6.307 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -10.408 -5.973 6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -11.482 -7.376 6.560 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -10.919 -8.090 3.119 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -11.769 -8.580 4.588 1.00 0.00 H new ATOM 120 N GLN A 155 -5.397 -3.994 1.600 1.00 0.00 N ATOM 121 CA GLN A 155 -5.114 -4.724 0.376 1.00 0.00 C ATOM 122 C GLN A 155 -5.193 -6.231 0.625 1.00 0.00 C ATOM 123 O GLN A 155 -4.364 -6.789 1.345 1.00 0.00 O ATOM 124 CB GLN A 155 -3.749 -4.333 -0.194 1.00 0.00 C ATOM 125 CG GLN A 155 -3.142 -5.482 -1.000 1.00 0.00 C ATOM 126 CD GLN A 155 -2.263 -6.368 -0.116 1.00 0.00 C ATOM 127 OE1 GLN A 155 -2.086 -6.129 1.066 1.00 0.00 O ATOM 128 NE2 GLN A 155 -1.722 -7.403 -0.756 1.00 0.00 N ATOM 0 H GLN A 155 -4.742 -4.169 2.362 1.00 0.00 H new ATOM 0 HA GLN A 155 -5.869 -4.458 -0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -3.855 -3.454 -0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.076 -4.059 0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -3.938 -6.080 -1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.549 -5.081 -1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -1.912 -7.545 -1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 155 -1.118 -8.054 -0.254 1.00 0.00 H new ATOM 196 N PRO A 160 -5.738 -6.327 -5.892 1.00 0.00 N ATOM 197 CA PRO A 160 -4.584 -5.601 -6.396 1.00 0.00 C ATOM 198 C PRO A 160 -4.221 -4.437 -5.471 1.00 0.00 C ATOM 199 O PRO A 160 -5.096 -3.847 -4.839 1.00 0.00 O ATOM 200 CB PRO A 160 -4.981 -5.152 -7.792 1.00 0.00 C ATOM 201 CG PRO A 160 -6.498 -5.236 -7.840 1.00 0.00 C ATOM 202 CD PRO A 160 -6.959 -6.048 -6.641 1.00 0.00 C ATOM 0 HA PRO A 160 -3.683 -6.214 -6.431 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -4.640 -4.135 -7.987 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.530 -5.791 -8.551 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.936 -4.238 -7.816 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.825 -5.706 -8.768 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.676 -5.491 -6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.452 -6.969 -6.952 1.00 0.00 H new ATOM 210 N PHE A 161 -2.931 -4.140 -5.424 1.00 0.00 N ATOM 211 CA PHE A 161 -2.443 -3.057 -4.588 1.00 0.00 C ATOM 212 C PHE A 161 -2.866 -1.697 -5.150 1.00 0.00 C ATOM 213 O PHE A 161 -2.924 -0.711 -4.419 1.00 0.00 O ATOM 214 CB PHE A 161 -0.915 -3.144 -4.592 1.00 0.00 C ATOM 215 CG PHE A 161 -0.232 -2.110 -3.695 1.00 0.00 C ATOM 216 CD1 PHE A 161 -0.324 -2.215 -2.342 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.469 -1.085 -4.251 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.311 -1.255 -1.510 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.104 -0.125 -3.419 1.00 0.00 C ATOM 220 CZ PHE A 161 1.011 -0.230 -2.065 1.00 0.00 C ATOM 0 H PHE A 161 -2.209 -4.631 -5.951 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.854 -3.148 -3.583 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.617 -4.142 -4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.556 -3.017 -5.614 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.880 -3.029 -1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 161 0.543 -1.001 -5.325 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.238 -1.339 -0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 161 1.661 0.688 -3.861 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.493 0.500 -1.432 1.00 0.00 H new ATOM 230 N ARG A 162 -3.148 -1.691 -6.445 1.00 0.00 N ATOM 231 CA ARG A 162 -3.563 -0.469 -7.113 1.00 0.00 C ATOM 232 C ARG A 162 -4.918 -0.003 -6.574 1.00 0.00 C ATOM 233 O ARG A 162 -5.101 1.177 -6.281 1.00 0.00 O ATOM 234 CB ARG A 162 -3.669 -0.677 -8.625 1.00 0.00 C ATOM 235 CG ARG A 162 -3.161 0.551 -9.384 1.00 0.00 C ATOM 236 CD ARG A 162 -2.639 0.163 -10.769 1.00 0.00 C ATOM 237 NE ARG A 162 -3.364 0.920 -11.813 1.00 0.00 N ATOM 238 CZ ARG A 162 -3.225 2.247 -12.018 1.00 0.00 C ATOM 239 NH1 ARG A 162 -2.386 2.976 -11.252 1.00 0.00 N ATOM 240 NH2 ARG A 162 -3.923 2.822 -12.982 1.00 0.00 N ATOM 0 H ARG A 162 -3.097 -2.512 -7.049 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.807 0.291 -6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -3.091 -1.554 -8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.706 -0.874 -8.897 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.966 1.279 -9.486 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.366 1.032 -8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -1.571 0.369 -10.835 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -2.768 -0.908 -10.929 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.009 0.408 -12.415 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -1.850 2.525 -10.511 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -2.288 3.978 -11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -4.554 2.264 -13.557 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -3.830 3.824 -13.151 1.00 0.00 H new ATOM 254 N ASP A 163 -5.832 -0.954 -6.458 1.00 0.00 N ATOM 255 CA ASP A 163 -7.164 -0.657 -5.960 1.00 0.00 C ATOM 256 C ASP A 163 -7.065 -0.182 -4.509 1.00 0.00 C ATOM 257 O ASP A 163 -7.777 0.735 -4.102 1.00 0.00 O ATOM 258 CB ASP A 163 -8.055 -1.900 -5.991 1.00 0.00 C ATOM 259 CG ASP A 163 -8.410 -2.406 -7.390 1.00 0.00 C ATOM 260 OD1 ASP A 163 -7.930 -1.873 -8.402 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.228 -3.403 -7.418 1.00 0.00 O ATOM 0 H ASP A 163 -5.676 -1.932 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.599 0.113 -6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.554 -2.701 -5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.978 -1.680 -5.455 1.00 0.00 H new ATOM 267 N TYR A 164 -6.178 -0.828 -3.766 1.00 0.00 N ATOM 268 CA TYR A 164 -5.978 -0.483 -2.369 1.00 0.00 C ATOM 269 C TYR A 164 -5.461 0.949 -2.227 1.00 0.00 C ATOM 270 O TYR A 164 -5.940 1.705 -1.381 1.00 0.00 O ATOM 271 CB TYR A 164 -4.915 -1.450 -1.845 1.00 0.00 C ATOM 272 CG TYR A 164 -4.326 -1.053 -0.489 1.00 0.00 C ATOM 273 CD1 TYR A 164 -5.163 -0.790 0.576 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.959 -0.956 -0.332 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.610 -0.417 1.852 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.405 -0.583 0.944 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.257 -0.331 1.972 1.00 0.00 C ATOM 278 OH TYR A 164 -2.735 0.022 3.178 1.00 0.00 O ATOM 0 H TYR A 164 -5.590 -1.589 -4.106 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.916 -0.553 -1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -5.353 -2.445 -1.762 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -4.108 -1.517 -2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -6.233 -0.864 0.452 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -2.304 -1.160 -1.166 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.254 -0.210 2.694 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.336 -0.505 1.081 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.762 0.111 3.100 1.00 0.00 H new ATOM 288 N VAL A 165 -4.492 1.281 -3.066 1.00 0.00 N ATOM 289 CA VAL A 165 -3.906 2.612 -3.046 1.00 0.00 C ATOM 290 C VAL A 165 -4.986 3.646 -3.371 1.00 0.00 C ATOM 291 O VAL A 165 -5.061 4.693 -2.732 1.00 0.00 O ATOM 292 CB VAL A 165 -2.712 2.672 -3.999 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.412 4.114 -4.411 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.479 2.012 -3.377 1.00 0.00 C ATOM 0 H VAL A 165 -4.097 0.652 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.523 2.846 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.973 2.113 -4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.558 4.129 -5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.282 4.537 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.182 4.705 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.644 2.069 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.216 2.530 -2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.698 0.967 -3.157 1.00 0.00 H new ATOM 304 N ASP A 166 -5.795 3.315 -4.369 1.00 0.00 N ATOM 305 CA ASP A 166 -6.866 4.201 -4.788 1.00 0.00 C ATOM 306 C ASP A 166 -7.791 4.474 -3.600 1.00 0.00 C ATOM 307 O ASP A 166 -8.211 5.611 -3.384 1.00 0.00 O ATOM 308 CB ASP A 166 -7.701 3.568 -5.902 1.00 0.00 C ATOM 309 CG ASP A 166 -7.274 3.943 -7.323 1.00 0.00 C ATOM 310 OD1 ASP A 166 -8.110 4.293 -8.168 1.00 0.00 O ATOM 311 OD2 ASP A 166 -6.007 3.861 -7.551 1.00 0.00 O ATOM 0 H ASP A 166 -5.729 2.446 -4.898 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.416 5.123 -5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -7.655 2.484 -5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.743 3.857 -5.764 1.00 0.00 H new ATOM 317 N ARG A 167 -8.081 3.414 -2.861 1.00 0.00 N ATOM 318 CA ARG A 167 -8.948 3.525 -1.700 1.00 0.00 C ATOM 319 C ARG A 167 -8.275 4.365 -0.613 1.00 0.00 C ATOM 320 O ARG A 167 -8.908 5.234 -0.015 1.00 0.00 O ATOM 321 CB ARG A 167 -9.286 2.145 -1.132 1.00 0.00 C ATOM 322 CG ARG A 167 -10.667 2.147 -0.472 1.00 0.00 C ATOM 323 CD ARG A 167 -11.756 1.768 -1.477 1.00 0.00 C ATOM 324 NE ARG A 167 -11.881 0.295 -1.555 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.680 -0.352 -2.431 1.00 0.00 C ATOM 326 NH1 ARG A 167 -13.432 0.340 -3.313 1.00 0.00 N ATOM 327 NH2 ARG A 167 -12.715 -1.671 -2.411 1.00 0.00 N ATOM 0 H ARG A 167 -7.731 2.473 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.870 4.010 -2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -9.262 1.403 -1.930 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.531 1.853 -0.402 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.676 1.445 0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -10.875 3.134 -0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -12.708 2.207 -1.177 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -11.513 2.173 -2.459 1.00 0.00 H new ATOM 0 HE ARG A 167 -11.329 -0.267 -0.907 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -13.400 1.359 -3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -14.033 -0.157 -3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -12.144 -2.186 -1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -13.313 -2.175 -3.066 1.00 0.00 H new ATOM 341 N PHE A 168 -7.001 4.077 -0.390 1.00 0.00 N ATOM 342 CA PHE A 168 -6.236 4.796 0.614 1.00 0.00 C ATOM 343 C PHE A 168 -6.221 6.298 0.322 1.00 0.00 C ATOM 344 O PHE A 168 -6.455 7.109 1.215 1.00 0.00 O ATOM 345 CB PHE A 168 -4.803 4.261 0.552 1.00 0.00 C ATOM 346 CG PHE A 168 -3.867 4.868 1.599 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.174 6.002 1.315 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.728 4.272 2.814 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.304 6.565 2.288 1.00 0.00 C ATOM 350 CE2 PHE A 168 -2.860 4.834 3.786 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.166 5.970 3.502 1.00 0.00 C ATOM 0 H PHE A 168 -6.479 3.355 -0.888 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.683 4.650 1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.824 3.179 0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.396 4.455 -0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.284 6.475 0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.279 3.371 3.039 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -1.753 7.466 2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.750 4.361 4.750 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.506 6.398 4.241 1.00 0.00 H new ATOM 361 N TYR A 169 -5.945 6.621 -0.932 1.00 0.00 N ATOM 362 CA TYR A 169 -5.895 8.011 -1.353 1.00 0.00 C ATOM 363 C TYR A 169 -7.303 8.601 -1.459 1.00 0.00 C ATOM 364 O TYR A 169 -7.478 9.816 -1.386 1.00 0.00 O ATOM 365 CB TYR A 169 -5.251 8.008 -2.742 1.00 0.00 C ATOM 366 CG TYR A 169 -3.731 7.830 -2.722 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.169 6.773 -2.037 1.00 0.00 C ATOM 368 CD2 TYR A 169 -2.924 8.729 -3.390 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.739 6.605 -2.018 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.494 8.561 -3.372 1.00 0.00 C ATOM 371 CZ TYR A 169 -0.973 7.508 -2.687 1.00 0.00 C ATOM 372 OH TYR A 169 0.379 7.350 -2.670 1.00 0.00 O ATOM 0 H TYR A 169 -5.754 5.944 -1.671 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.336 8.611 -0.634 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.693 7.207 -3.334 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.490 8.945 -3.244 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.802 6.071 -1.515 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.365 9.557 -3.925 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.286 5.782 -1.485 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -0.850 9.255 -3.891 1.00 0.00 H new ATOM 0 HH TYR A 169 0.799 8.067 -3.190 1.00 0.00 H new ATOM 382 N LYS A 170 -8.272 7.713 -1.627 1.00 0.00 N ATOM 383 CA LYS A 170 -9.659 8.130 -1.743 1.00 0.00 C ATOM 384 C LYS A 170 -10.167 8.579 -0.370 1.00 0.00 C ATOM 385 O LYS A 170 -10.829 9.609 -0.257 1.00 0.00 O ATOM 386 CB LYS A 170 -10.501 7.023 -2.379 1.00 0.00 C ATOM 387 CG LYS A 170 -10.544 7.173 -3.901 1.00 0.00 C ATOM 388 CD LYS A 170 -10.885 5.841 -4.572 1.00 0.00 C ATOM 389 CE LYS A 170 -10.625 5.906 -6.079 1.00 0.00 C ATOM 390 NZ LYS A 170 -10.919 4.600 -6.712 1.00 0.00 N ATOM 0 H LYS A 170 -8.124 6.706 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 170 -9.745 8.986 -2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.086 6.050 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.514 7.056 -1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.285 7.923 -4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.580 7.530 -4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.288 5.043 -4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -11.931 5.595 -4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -11.245 6.682 -6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -9.586 6.181 -6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -10.116 4.315 -7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -11.074 3.884 -5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -11.774 4.683 -7.298 1.00 0.00 H new ATOM 404 N THR A 171 -9.838 7.784 0.637 1.00 0.00 N ATOM 405 CA THR A 171 -10.253 8.087 1.995 1.00 0.00 C ATOM 406 C THR A 171 -9.431 9.246 2.559 1.00 0.00 C ATOM 407 O THR A 171 -9.943 10.063 3.322 1.00 0.00 O ATOM 408 CB THR A 171 -10.141 6.803 2.821 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.113 5.934 2.246 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.616 6.992 4.263 1.00 0.00 C ATOM 0 H THR A 171 -9.289 6.930 0.539 1.00 0.00 H new ATOM 0 HA THR A 171 -11.290 8.422 2.026 1.00 0.00 H new ATOM 0 HB THR A 171 -9.106 6.461 2.822 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.738 5.507 1.447 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.516 6.052 4.805 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.010 7.757 4.748 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.661 7.302 4.264 1.00 0.00 H new ATOM 418 N LEU A 172 -8.166 9.281 2.163 1.00 0.00 N ATOM 419 CA LEU A 172 -7.267 10.326 2.619 1.00 0.00 C ATOM 420 C LEU A 172 -7.856 11.692 2.261 1.00 0.00 C ATOM 421 O LEU A 172 -7.775 12.633 3.049 1.00 0.00 O ATOM 422 CB LEU A 172 -5.858 10.099 2.065 1.00 0.00 C ATOM 423 CG LEU A 172 -5.371 11.118 1.032 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.254 12.513 1.649 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.060 10.663 0.389 1.00 0.00 C ATOM 0 H LEU A 172 -7.743 8.601 1.531 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.167 10.296 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.157 10.094 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -5.822 9.108 1.613 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.114 11.180 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -4.906 13.217 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.229 12.830 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -4.543 12.487 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -3.736 11.405 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.296 10.554 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.212 9.706 -0.110 1.00 0.00 H new ATOM 437 N ARG A 173 -8.436 11.758 1.071 1.00 0.00 N ATOM 438 CA ARG A 173 -9.038 12.992 0.599 1.00 0.00 C ATOM 439 C ARG A 173 -10.177 13.416 1.529 1.00 0.00 C ATOM 440 O ARG A 173 -10.427 14.607 1.705 1.00 0.00 O ATOM 441 CB ARG A 173 -9.582 12.832 -0.821 1.00 0.00 C ATOM 442 CG ARG A 173 -8.451 12.884 -1.851 1.00 0.00 C ATOM 443 CD ARG A 173 -9.007 12.896 -3.276 1.00 0.00 C ATOM 444 NE ARG A 173 -8.210 13.812 -4.123 1.00 0.00 N ATOM 445 CZ ARG A 173 -8.549 14.167 -5.380 1.00 0.00 C ATOM 446 NH1 ARG A 173 -9.673 13.684 -5.951 1.00 0.00 N ATOM 447 NH2 ARG A 173 -7.761 14.993 -6.046 1.00 0.00 N ATOM 0 H ARG A 173 -8.501 10.976 0.420 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.263 13.758 0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -10.113 11.884 -0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.304 13.621 -1.029 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -7.845 13.775 -1.686 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.795 12.023 -1.720 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -8.983 11.889 -3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -10.050 13.212 -3.266 1.00 0.00 H new ATOM 0 HE ARG A 173 -7.351 14.199 -3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -10.275 13.045 -5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -9.921 13.958 -6.902 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -6.912 15.352 -5.609 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -8.002 15.272 -6.997 1.00 0.00 H new ATOM 461 N ALA A 174 -10.836 12.418 2.099 1.00 0.00 N ATOM 462 CA ALA A 174 -11.942 12.672 3.006 1.00 0.00 C ATOM 463 C ALA A 174 -11.445 12.572 4.449 1.00 0.00 C ATOM 464 O ALA A 174 -12.245 12.488 5.380 1.00 0.00 O ATOM 465 CB ALA A 174 -13.080 11.693 2.711 1.00 0.00 C ATOM 0 H ALA A 174 -10.625 11.431 1.950 1.00 0.00 H new ATOM 0 HA ALA A 174 -12.334 13.679 2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -13.910 11.884 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.416 11.825 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.726 10.671 2.848 1.00 0.00 H new ATOM 630 N THR A 186 1.463 9.059 6.636 1.00 0.00 N ATOM 631 CA THR A 186 0.516 8.495 5.689 1.00 0.00 C ATOM 632 C THR A 186 1.072 7.206 5.082 1.00 0.00 C ATOM 633 O THR A 186 0.460 6.146 5.202 1.00 0.00 O ATOM 634 CB THR A 186 0.197 9.569 4.646 1.00 0.00 C ATOM 635 OG1 THR A 186 -0.830 10.347 5.253 1.00 0.00 O ATOM 636 CG2 THR A 186 -0.464 8.990 3.395 1.00 0.00 C ATOM 0 HA THR A 186 -0.414 8.210 6.181 1.00 0.00 H new ATOM 0 HB THR A 186 1.114 10.087 4.365 1.00 0.00 H new ATOM 0 HG1 THR A 186 -1.096 11.068 4.646 1.00 0.00 H new ATOM 0 HG21 THR A 186 -0.669 9.793 2.687 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.204 8.262 2.934 1.00 0.00 H new ATOM 0 HG23 THR A 186 -1.399 8.501 3.670 1.00 0.00 H new ATOM 644 N GLU A 187 2.227 7.338 4.445 1.00 0.00 N ATOM 645 CA GLU A 187 2.872 6.197 3.821 1.00 0.00 C ATOM 646 C GLU A 187 2.979 5.039 4.814 1.00 0.00 C ATOM 647 O GLU A 187 2.791 3.881 4.447 1.00 0.00 O ATOM 648 CB GLU A 187 4.247 6.578 3.271 1.00 0.00 C ATOM 649 CG GLU A 187 5.126 5.339 3.086 1.00 0.00 C ATOM 650 CD GLU A 187 5.742 4.899 4.417 1.00 0.00 C ATOM 651 OE1 GLU A 187 5.834 5.707 5.353 1.00 0.00 O ATOM 652 OE2 GLU A 187 6.130 3.670 4.458 1.00 0.00 O ATOM 0 H GLU A 187 2.732 8.219 4.348 1.00 0.00 H new ATOM 0 HA GLU A 187 2.259 5.872 2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.131 7.092 2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.734 7.276 3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 187 4.531 4.526 2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 187 5.918 5.554 2.368 1.00 0.00 H new ATOM 660 N THR A 188 3.284 5.392 6.055 1.00 0.00 N ATOM 661 CA THR A 188 3.420 4.395 7.104 1.00 0.00 C ATOM 662 C THR A 188 2.070 3.736 7.393 1.00 0.00 C ATOM 663 O THR A 188 2.016 2.582 7.813 1.00 0.00 O ATOM 664 CB THR A 188 4.037 5.078 8.327 1.00 0.00 C ATOM 665 OG1 THR A 188 5.061 4.182 8.746 1.00 0.00 O ATOM 666 CG2 THR A 188 3.075 5.128 9.516 1.00 0.00 C ATOM 0 H THR A 188 3.441 6.354 6.357 1.00 0.00 H new ATOM 0 HA THR A 188 4.082 3.585 6.797 1.00 0.00 H new ATOM 0 HB THR A 188 4.341 6.091 8.063 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.514 4.548 9.534 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.561 5.622 10.357 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.180 5.684 9.237 1.00 0.00 H new ATOM 0 HG23 THR A 188 2.797 4.114 9.802 1.00 0.00 H new ATOM 674 N LEU A 189 1.014 4.500 7.154 1.00 0.00 N ATOM 675 CA LEU A 189 -0.334 4.004 7.384 1.00 0.00 C ATOM 676 C LEU A 189 -0.684 2.976 6.306 1.00 0.00 C ATOM 677 O LEU A 189 -1.193 1.898 6.614 1.00 0.00 O ATOM 678 CB LEU A 189 -1.324 5.167 7.468 1.00 0.00 C ATOM 679 CG LEU A 189 -1.818 5.527 8.871 1.00 0.00 C ATOM 680 CD1 LEU A 189 -2.672 6.796 8.844 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.558 4.351 9.512 1.00 0.00 C ATOM 0 H LEU A 189 1.063 5.457 6.804 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.394 3.493 8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.856 6.049 7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.189 4.927 6.850 1.00 0.00 H new ATOM 0 HG LEU A 189 -0.949 5.738 9.494 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -3.010 7.029 9.854 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -2.079 7.626 8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.537 6.639 8.199 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.898 4.634 10.508 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.418 4.084 8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -1.886 3.496 9.588 1.00 0.00 H new ATOM 693 N LEU A 190 -0.397 3.342 5.066 1.00 0.00 N ATOM 694 CA LEU A 190 -0.675 2.464 3.942 1.00 0.00 C ATOM 695 C LEU A 190 0.075 1.145 4.135 1.00 0.00 C ATOM 696 O LEU A 190 -0.489 0.070 3.929 1.00 0.00 O ATOM 697 CB LEU A 190 -0.353 3.167 2.622 1.00 0.00 C ATOM 698 CG LEU A 190 -0.394 2.291 1.368 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.509 2.739 0.421 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.969 2.262 0.676 1.00 0.00 C ATOM 0 H LEU A 190 0.026 4.236 4.814 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.737 2.224 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -1.057 3.989 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.641 3.608 2.701 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.623 1.270 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.515 2.100 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.470 2.665 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.337 3.772 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.913 1.633 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 190 1.252 3.274 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.716 1.859 1.360 1.00 0.00 H new ATOM 712 N VAL A 191 1.335 1.267 4.525 1.00 0.00 N ATOM 713 CA VAL A 191 2.167 0.097 4.747 1.00 0.00 C ATOM 714 C VAL A 191 1.644 -0.672 5.962 1.00 0.00 C ATOM 715 O VAL A 191 1.501 -1.893 5.914 1.00 0.00 O ATOM 716 CB VAL A 191 3.632 0.516 4.890 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.503 -0.668 5.311 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.151 1.147 3.596 1.00 0.00 C ATOM 0 H VAL A 191 1.800 2.159 4.693 1.00 0.00 H new ATOM 0 HA VAL A 191 2.117 -0.575 3.890 1.00 0.00 H new ATOM 0 HB VAL A 191 3.689 1.269 5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.539 -0.342 5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.155 -1.053 6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.437 -1.454 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.194 1.436 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.072 0.426 2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.557 2.029 3.358 1.00 0.00 H new ATOM 728 N GLN A 192 1.375 0.073 7.023 1.00 0.00 N ATOM 729 CA GLN A 192 0.871 -0.523 8.249 1.00 0.00 C ATOM 730 C GLN A 192 -0.502 -1.155 8.007 1.00 0.00 C ATOM 731 O GLN A 192 -0.806 -2.214 8.551 1.00 0.00 O ATOM 732 CB GLN A 192 0.810 0.509 9.377 1.00 0.00 C ATOM 733 CG GLN A 192 0.601 -0.171 10.731 1.00 0.00 C ATOM 734 CD GLN A 192 -0.824 0.053 11.244 1.00 0.00 C ATOM 735 OE1 GLN A 192 -1.588 -0.874 11.453 1.00 0.00 O ATOM 736 NE2 GLN A 192 -1.135 1.331 11.434 1.00 0.00 N ATOM 0 H GLN A 192 1.496 1.085 7.060 1.00 0.00 H new ATOM 0 HA GLN A 192 1.561 -1.308 8.558 1.00 0.00 H new ATOM 0 HB2 GLN A 192 1.733 1.088 9.395 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -0.003 1.211 9.189 1.00 0.00 H new ATOM 0 HG2 GLN A 192 0.794 -1.240 10.639 1.00 0.00 H new ATOM 0 HG3 GLN A 192 1.317 0.221 11.453 1.00 0.00 H new ATOM 0 HE21 GLN A 192 -0.447 2.058 11.239 1.00 0.00 H new ATOM 0 HE22 GLN A 192 -2.062 1.585 11.775 1.00 0.00 H new ATOM 745 N ASN A 193 -1.294 -0.475 7.190 1.00 0.00 N ATOM 746 CA ASN A 193 -2.627 -0.956 6.869 1.00 0.00 C ATOM 747 C ASN A 193 -2.566 -1.804 5.597 1.00 0.00 C ATOM 748 O ASN A 193 -3.590 -2.043 4.958 1.00 0.00 O ATOM 749 CB ASN A 193 -3.586 0.209 6.617 1.00 0.00 C ATOM 750 CG ASN A 193 -5.043 -0.251 6.700 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.918 0.740 6.843 1.00 0.00 O flip ATOM 752 ND2 ASN A 193 -5.352 -1.431 6.639 1.00 0.00 N flip ATOM 0 H ASN A 193 -1.038 0.404 6.741 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.987 -1.543 7.714 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.407 0.996 7.349 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.392 0.638 5.634 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -4.629 -2.142 6.529 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -6.333 -1.705 6.698 1.00 0.00 H new ATOM 759 N ALA A 194 -1.358 -2.233 5.267 1.00 0.00 N ATOM 760 CA ALA A 194 -1.150 -3.049 4.083 1.00 0.00 C ATOM 761 C ALA A 194 -0.717 -4.455 4.506 1.00 0.00 C ATOM 762 O ALA A 194 -0.254 -4.654 5.628 1.00 0.00 O ATOM 763 CB ALA A 194 -0.126 -2.372 3.171 1.00 0.00 C ATOM 0 H ALA A 194 -0.512 -2.031 5.799 1.00 0.00 H new ATOM 0 HA ALA A 194 -2.076 -3.147 3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.031 -2.984 2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -0.495 -1.390 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 194 0.818 -2.259 3.704 1.00 0.00 H new ATOM 769 N ASN A 195 -0.882 -5.392 3.586 1.00 0.00 N ATOM 770 CA ASN A 195 -0.513 -6.772 3.849 1.00 0.00 C ATOM 771 C ASN A 195 0.823 -6.805 4.596 1.00 0.00 C ATOM 772 O ASN A 195 1.561 -5.822 4.598 1.00 0.00 O ATOM 773 CB ASN A 195 -0.344 -7.556 2.545 1.00 0.00 C ATOM 774 CG ASN A 195 0.373 -6.714 1.488 1.00 0.00 C ATOM 775 OD1 ASN A 195 0.526 -5.510 1.615 1.00 0.00 O ATOM 776 ND2 ASN A 195 0.801 -7.412 0.440 1.00 0.00 N ATOM 0 H ASN A 195 -1.267 -5.223 2.657 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.307 -7.225 4.442 1.00 0.00 H new ATOM 0 HB2 ASN A 195 0.223 -8.467 2.735 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -1.321 -7.861 2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 195 1.291 -6.941 -0.321 1.00 0.00 H new ATOM 0 HD22 ASN A 195 0.640 -8.418 0.397 1.00 0.00 H new ATOM 783 N PRO A 196 1.100 -7.979 5.226 1.00 0.00 N ATOM 784 CA PRO A 196 2.334 -8.152 5.974 1.00 0.00 C ATOM 785 C PRO A 196 3.525 -8.338 5.032 1.00 0.00 C ATOM 786 O PRO A 196 4.558 -7.689 5.196 1.00 0.00 O ATOM 787 CB PRO A 196 2.086 -9.359 6.864 1.00 0.00 C ATOM 788 CG PRO A 196 0.906 -10.095 6.250 1.00 0.00 C ATOM 789 CD PRO A 196 0.250 -9.165 5.243 1.00 0.00 C ATOM 0 HA PRO A 196 2.591 -7.278 6.572 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.967 -10.000 6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.865 -9.052 7.886 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.239 -11.011 5.763 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.194 -10.385 7.022 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.193 -9.626 4.257 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.770 -8.917 5.538 1.00 0.00 H new ATOM 797 N ASP A 197 3.342 -9.225 4.065 1.00 0.00 N ATOM 798 CA ASP A 197 4.388 -9.503 3.097 1.00 0.00 C ATOM 799 C ASP A 197 4.921 -8.184 2.535 1.00 0.00 C ATOM 800 O ASP A 197 6.131 -8.001 2.413 1.00 0.00 O ATOM 801 CB ASP A 197 3.852 -10.333 1.930 1.00 0.00 C ATOM 802 CG ASP A 197 3.917 -11.848 2.131 1.00 0.00 C ATOM 803 OD1 ASP A 197 2.883 -12.535 2.156 1.00 0.00 O ATOM 804 OD2 ASP A 197 5.105 -12.330 2.266 1.00 0.00 O ATOM 0 H ASP A 197 2.484 -9.761 3.932 1.00 0.00 H new ATOM 0 HA ASP A 197 5.176 -10.060 3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.815 -10.050 1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.415 -10.076 1.032 1.00 0.00 H new ATOM 810 N CYS A 198 3.991 -7.300 2.206 1.00 0.00 N ATOM 811 CA CYS A 198 4.351 -6.003 1.661 1.00 0.00 C ATOM 812 C CYS A 198 5.230 -5.278 2.681 1.00 0.00 C ATOM 813 O CYS A 198 6.153 -4.557 2.308 1.00 0.00 O ATOM 814 CB CYS A 198 3.114 -5.182 1.288 1.00 0.00 C ATOM 815 SG CYS A 198 3.617 -3.653 0.415 1.00 0.00 S ATOM 0 H CYS A 198 2.988 -7.457 2.307 1.00 0.00 H new ATOM 0 HA CYS A 198 4.909 -6.139 0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.453 -5.772 0.653 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.551 -4.929 2.186 1.00 0.00 H new ATOM 0 HG CYS A 198 2.560 -2.965 0.101 1.00 0.00 H new ATOM 821 N LYS A 199 4.912 -5.494 3.948 1.00 0.00 N ATOM 822 CA LYS A 199 5.661 -4.872 5.025 1.00 0.00 C ATOM 823 C LYS A 199 7.138 -5.246 4.897 1.00 0.00 C ATOM 824 O LYS A 199 8.012 -4.385 4.990 1.00 0.00 O ATOM 825 CB LYS A 199 5.051 -5.232 6.381 1.00 0.00 C ATOM 826 CG LYS A 199 5.529 -4.272 7.472 1.00 0.00 C ATOM 827 CD LYS A 199 4.806 -4.538 8.793 1.00 0.00 C ATOM 828 CE LYS A 199 4.074 -3.284 9.279 1.00 0.00 C ATOM 829 NZ LYS A 199 4.829 -2.635 10.375 1.00 0.00 N ATOM 0 H LYS A 199 4.144 -6.092 4.253 1.00 0.00 H new ATOM 0 HA LYS A 199 5.600 -3.786 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.964 -5.199 6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.323 -6.254 6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 199 6.604 -4.383 7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 199 5.353 -3.243 7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 199 4.093 -5.353 8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 199 5.525 -4.859 9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 199 3.949 -2.585 8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 199 3.075 -3.550 9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 4.319 -1.786 10.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 4.926 -3.299 11.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 5.773 -2.364 10.033 1.00 0.00 H new ATOM 843 N THR A 200 7.373 -6.534 4.686 1.00 0.00 N ATOM 844 CA THR A 200 8.731 -7.033 4.544 1.00 0.00 C ATOM 845 C THR A 200 9.400 -6.414 3.315 1.00 0.00 C ATOM 846 O THR A 200 10.563 -6.017 3.372 1.00 0.00 O ATOM 847 CB THR A 200 8.670 -8.561 4.498 1.00 0.00 C ATOM 848 OG1 THR A 200 8.210 -8.929 5.795 1.00 0.00 O ATOM 849 CG2 THR A 200 10.056 -9.199 4.399 1.00 0.00 C ATOM 0 H THR A 200 6.647 -7.246 4.610 1.00 0.00 H new ATOM 0 HA THR A 200 9.350 -6.743 5.393 1.00 0.00 H new ATOM 0 HB THR A 200 8.065 -8.875 3.648 1.00 0.00 H new ATOM 0 HG1 THR A 200 8.140 -9.905 5.852 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.956 -10.284 4.370 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.551 -8.855 3.490 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.651 -8.913 5.266 1.00 0.00 H new ATOM 857 N ILE A 201 8.638 -6.351 2.233 1.00 0.00 N ATOM 858 CA ILE A 201 9.141 -5.788 0.993 1.00 0.00 C ATOM 859 C ILE A 201 9.449 -4.303 1.200 1.00 0.00 C ATOM 860 O ILE A 201 10.395 -3.775 0.619 1.00 0.00 O ATOM 861 CB ILE A 201 8.168 -6.061 -0.154 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.508 -7.433 -0.001 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.862 -5.908 -1.510 1.00 0.00 C ATOM 864 CD1 ILE A 201 7.490 -8.187 -1.331 1.00 0.00 C ATOM 0 H ILE A 201 7.674 -6.682 2.190 1.00 0.00 H new ATOM 0 HA ILE A 201 10.076 -6.271 0.707 1.00 0.00 H new ATOM 0 HB ILE A 201 7.374 -5.316 -0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 201 8.046 -8.018 0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.489 -7.311 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 201 8.148 -6.108 -2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 201 9.244 -4.892 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.689 -6.615 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 201 7.015 -9.158 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.930 -7.611 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 201 8.512 -8.329 -1.682 1.00 0.00 H new ATOM 876 N LEU A 202 8.631 -3.674 2.030 1.00 0.00 N ATOM 877 CA LEU A 202 8.803 -2.259 2.321 1.00 0.00 C ATOM 878 C LEU A 202 10.069 -2.066 3.157 1.00 0.00 C ATOM 879 O LEU A 202 10.764 -1.061 3.014 1.00 0.00 O ATOM 880 CB LEU A 202 7.541 -1.690 2.973 1.00 0.00 C ATOM 881 CG LEU A 202 6.835 -0.572 2.203 1.00 0.00 C ATOM 882 CD1 LEU A 202 7.850 0.382 1.569 1.00 0.00 C ATOM 883 CD2 LEU A 202 5.865 -1.147 1.168 1.00 0.00 C ATOM 0 H LEU A 202 7.848 -4.116 2.511 1.00 0.00 H new ATOM 0 HA LEU A 202 8.940 -1.693 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.833 -2.505 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.805 -1.313 3.961 1.00 0.00 H new ATOM 0 HG LEU A 202 6.244 0.010 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 202 7.322 1.167 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 202 8.465 0.830 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 202 8.486 -0.171 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 202 5.376 -0.331 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 202 6.414 -1.766 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 202 5.112 -1.753 1.672 1.00 0.00 H new ATOM 895 N LYS A 203 10.329 -3.044 4.014 1.00 0.00 N ATOM 896 CA LYS A 203 11.500 -2.993 4.872 1.00 0.00 C ATOM 897 C LYS A 203 12.761 -3.119 4.018 1.00 0.00 C ATOM 898 O LYS A 203 13.768 -2.464 4.286 1.00 0.00 O ATOM 899 CB LYS A 203 11.398 -4.045 5.978 1.00 0.00 C ATOM 900 CG LYS A 203 10.813 -3.443 7.257 1.00 0.00 C ATOM 901 CD LYS A 203 10.369 -4.540 8.227 1.00 0.00 C ATOM 902 CE LYS A 203 11.576 -5.278 8.810 1.00 0.00 C ATOM 903 NZ LYS A 203 11.259 -6.710 9.014 1.00 0.00 N ATOM 0 H LYS A 203 9.749 -3.875 4.132 1.00 0.00 H new ATOM 0 HA LYS A 203 11.557 -2.031 5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.772 -4.871 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 203 12.386 -4.457 6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 203 11.557 -2.807 7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.963 -2.807 7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 203 9.782 -4.101 9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 203 9.721 -5.247 7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 203 12.429 -5.180 8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 203 11.864 -4.824 9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 12.089 -7.196 9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 10.459 -6.798 9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 11.006 -7.143 8.103 1.00 0.00 H new ATOM 917 N ALA A 204 12.668 -3.968 3.003 1.00 0.00 N ATOM 918 CA ALA A 204 13.790 -4.190 2.107 1.00 0.00 C ATOM 919 C ALA A 204 13.861 -3.044 1.095 1.00 0.00 C ATOM 920 O ALA A 204 14.921 -2.778 0.527 1.00 0.00 O ATOM 921 CB ALA A 204 13.642 -5.554 1.431 1.00 0.00 C ATOM 0 H ALA A 204 11.832 -4.510 2.782 1.00 0.00 H new ATOM 0 HA ALA A 204 14.728 -4.201 2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.484 -5.720 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.624 -6.336 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.713 -5.579 0.862 1.00 0.00 H new ATOM 927 N LEU A 205 12.723 -2.396 0.899 1.00 0.00 N ATOM 928 CA LEU A 205 12.643 -1.285 -0.034 1.00 0.00 C ATOM 929 C LEU A 205 13.425 -0.096 0.529 1.00 0.00 C ATOM 930 O LEU A 205 14.588 0.107 0.180 1.00 0.00 O ATOM 931 CB LEU A 205 11.183 -0.963 -0.360 1.00 0.00 C ATOM 932 CG LEU A 205 10.780 -1.093 -1.830 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.241 -2.494 -2.127 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.785 0.000 -2.224 1.00 0.00 C ATOM 0 H LEU A 205 11.847 -2.619 1.371 1.00 0.00 H new ATOM 0 HA LEU A 205 13.106 -1.551 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.546 -1.621 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 205 10.975 0.057 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 205 11.670 -0.953 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 205 9.961 -2.561 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.011 -3.234 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.366 -2.686 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.515 -0.115 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 205 8.890 -0.083 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.240 0.979 -2.072 1.00 0.00 H new ATOM 946 N GLY A 206 12.757 0.658 1.389 1.00 0.00 N ATOM 947 CA GLY A 206 13.374 1.822 2.001 1.00 0.00 C ATOM 948 C GLY A 206 12.380 2.560 2.901 1.00 0.00 C ATOM 949 O GLY A 206 11.171 2.490 2.684 1.00 0.00 O ATOM 0 H GLY A 206 11.794 0.485 1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 206 14.240 1.513 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.737 2.496 1.225 1.00 0.00 H new ATOM 953 N PRO A 207 12.941 3.270 3.916 1.00 0.00 N ATOM 954 CA PRO A 207 12.118 4.020 4.848 1.00 0.00 C ATOM 955 C PRO A 207 11.586 5.301 4.203 1.00 0.00 C ATOM 956 O PRO A 207 11.828 6.398 4.700 1.00 0.00 O ATOM 957 CB PRO A 207 13.021 4.288 6.043 1.00 0.00 C ATOM 958 CG PRO A 207 14.442 4.087 5.543 1.00 0.00 C ATOM 959 CD PRO A 207 14.369 3.376 4.202 1.00 0.00 C ATOM 0 HA PRO A 207 11.225 3.474 5.154 1.00 0.00 H new ATOM 0 HB2 PRO A 207 12.879 5.301 6.421 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.795 3.607 6.864 1.00 0.00 H new ATOM 0 HG2 PRO A 207 14.949 5.046 5.439 1.00 0.00 H new ATOM 0 HG3 PRO A 207 15.018 3.498 6.257 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.887 3.940 3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.838 2.393 4.249 1.00 0.00 H new ATOM 967 N GLY A 208 10.870 5.117 3.102 1.00 0.00 N ATOM 968 CA GLY A 208 10.300 6.244 2.383 1.00 0.00 C ATOM 969 C GLY A 208 10.135 5.918 0.897 1.00 0.00 C ATOM 970 O GLY A 208 10.555 6.692 0.038 1.00 0.00 O ATOM 0 H GLY A 208 10.672 4.205 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.332 6.502 2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 208 10.943 7.117 2.499 1.00 0.00 H new ATOM 974 N ALA A 209 9.524 4.771 0.640 1.00 0.00 N ATOM 975 CA ALA A 209 9.298 4.334 -0.727 1.00 0.00 C ATOM 976 C ALA A 209 8.078 5.061 -1.296 1.00 0.00 C ATOM 977 O ALA A 209 7.207 5.500 -0.546 1.00 0.00 O ATOM 978 CB ALA A 209 9.137 2.813 -0.758 1.00 0.00 C ATOM 0 H ALA A 209 9.179 4.131 1.355 1.00 0.00 H new ATOM 0 HA ALA A 209 10.153 4.584 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 209 8.967 2.486 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 209 10.042 2.343 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 209 8.287 2.524 -0.140 1.00 0.00 H new ATOM 984 N THR A 210 8.054 5.165 -2.617 1.00 0.00 N ATOM 985 CA THR A 210 6.954 5.832 -3.295 1.00 0.00 C ATOM 986 C THR A 210 5.897 4.813 -3.722 1.00 0.00 C ATOM 987 O THR A 210 6.220 3.663 -4.018 1.00 0.00 O ATOM 988 CB THR A 210 7.535 6.632 -4.462 1.00 0.00 C ATOM 989 OG1 THR A 210 6.403 7.284 -5.033 1.00 0.00 O ATOM 990 CG2 THR A 210 8.053 5.734 -5.587 1.00 0.00 C ATOM 0 H THR A 210 8.778 4.799 -3.236 1.00 0.00 H new ATOM 0 HA THR A 210 6.440 6.527 -2.630 1.00 0.00 H new ATOM 0 HB THR A 210 8.345 7.265 -4.100 1.00 0.00 H new ATOM 0 HG1 THR A 210 6.689 7.827 -5.797 1.00 0.00 H new ATOM 0 HG21 THR A 210 8.455 6.352 -6.390 1.00 0.00 H new ATOM 0 HG22 THR A 210 8.839 5.084 -5.201 1.00 0.00 H new ATOM 0 HG23 THR A 210 7.235 5.125 -5.972 1.00 0.00 H new ATOM 998 N LEU A 211 4.653 5.272 -3.742 1.00 0.00 N ATOM 999 CA LEU A 211 3.545 4.416 -4.128 1.00 0.00 C ATOM 1000 C LEU A 211 3.961 3.561 -5.329 1.00 0.00 C ATOM 1001 O LEU A 211 3.492 2.435 -5.486 1.00 0.00 O ATOM 1002 CB LEU A 211 2.284 5.246 -4.373 1.00 0.00 C ATOM 1003 CG LEU A 211 2.062 5.721 -5.811 1.00 0.00 C ATOM 1004 CD1 LEU A 211 3.289 6.471 -6.336 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.671 4.553 -6.719 1.00 0.00 C ATOM 0 H LEU A 211 4.389 6.226 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 211 3.294 3.731 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 211 1.420 4.656 -4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 211 2.317 6.121 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 211 1.229 6.424 -5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 211 3.105 6.798 -7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 211 3.481 7.340 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 211 4.155 5.810 -6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 211 1.519 4.917 -7.735 1.00 0.00 H new ATOM 0 HD22 LEU A 211 2.466 3.808 -6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 211 0.749 4.101 -6.354 1.00 0.00 H new ATOM 1017 N GLU A 212 4.837 4.130 -6.144 1.00 0.00 N ATOM 1018 CA GLU A 212 5.322 3.435 -7.324 1.00 0.00 C ATOM 1019 C GLU A 212 6.189 2.241 -6.919 1.00 0.00 C ATOM 1020 O GLU A 212 5.971 1.124 -7.386 1.00 0.00 O ATOM 1021 CB GLU A 212 6.091 4.385 -8.242 1.00 0.00 C ATOM 1022 CG GLU A 212 5.854 4.040 -9.714 1.00 0.00 C ATOM 1023 CD GLU A 212 6.971 4.600 -10.597 1.00 0.00 C ATOM 1024 OE1 GLU A 212 7.360 3.961 -11.585 1.00 0.00 O ATOM 1025 OE2 GLU A 212 7.437 5.745 -10.225 1.00 0.00 O ATOM 0 H GLU A 212 5.223 5.064 -6.010 1.00 0.00 H new ATOM 0 HA GLU A 212 4.462 3.062 -7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 212 5.779 5.412 -8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 212 7.156 4.328 -8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 212 5.800 2.958 -9.833 1.00 0.00 H new ATOM 0 HG3 GLU A 212 4.894 4.444 -10.036 1.00 0.00 H new ATOM 1033 N GLU A 213 7.154 2.518 -6.055 1.00 0.00 N ATOM 1034 CA GLU A 213 8.055 1.482 -5.581 1.00 0.00 C ATOM 1035 C GLU A 213 7.292 0.460 -4.736 1.00 0.00 C ATOM 1036 O GLU A 213 7.542 -0.740 -4.830 1.00 0.00 O ATOM 1037 CB GLU A 213 9.221 2.085 -4.795 1.00 0.00 C ATOM 1038 CG GLU A 213 10.476 1.219 -4.925 1.00 0.00 C ATOM 1039 CD GLU A 213 11.392 1.742 -6.033 1.00 0.00 C ATOM 1040 OE1 GLU A 213 10.955 2.545 -6.870 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.598 1.285 -6.005 1.00 0.00 O ATOM 0 H GLU A 213 7.332 3.446 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 213 8.473 0.968 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.429 3.091 -5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 213 8.946 2.178 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.015 1.209 -3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.191 0.189 -5.140 1.00 0.00 H new ATOM 1049 N MET A 214 6.377 0.975 -3.928 1.00 0.00 N ATOM 1050 CA MET A 214 5.575 0.124 -3.065 1.00 0.00 C ATOM 1051 C MET A 214 4.701 -0.823 -3.889 1.00 0.00 C ATOM 1052 O MET A 214 4.585 -2.004 -3.565 1.00 0.00 O ATOM 1053 CB MET A 214 4.687 0.994 -2.172 1.00 0.00 C ATOM 1054 CG MET A 214 5.531 1.886 -1.260 1.00 0.00 C ATOM 1055 SD MET A 214 4.578 2.375 0.167 1.00 0.00 S ATOM 1056 CE MET A 214 4.028 3.988 -0.365 1.00 0.00 C ATOM 0 H MET A 214 6.173 1.972 -3.853 1.00 0.00 H new ATOM 0 HA MET A 214 6.247 -0.475 -2.450 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.038 1.613 -2.791 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.040 0.359 -1.567 1.00 0.00 H new ATOM 0 HG2 MET A 214 6.427 1.352 -0.944 1.00 0.00 H new ATOM 0 HG3 MET A 214 5.862 2.769 -1.806 1.00 0.00 H new ATOM 0 HE1 MET A 214 3.715 4.570 0.502 1.00 0.00 H new ATOM 0 HE2 MET A 214 4.845 4.502 -0.872 1.00 0.00 H new ATOM 0 HE3 MET A 214 3.188 3.878 -1.051 1.00 0.00 H new ATOM 1066 N MET A 215 4.109 -0.270 -4.936 1.00 0.00 N ATOM 1067 CA MET A 215 3.248 -1.051 -5.810 1.00 0.00 C ATOM 1068 C MET A 215 4.061 -2.072 -6.609 1.00 0.00 C ATOM 1069 O MET A 215 3.589 -3.177 -6.872 1.00 0.00 O ATOM 1070 CB MET A 215 2.515 -0.116 -6.772 1.00 0.00 C ATOM 1071 CG MET A 215 1.764 -0.912 -7.843 1.00 0.00 C ATOM 1072 SD MET A 215 1.038 0.202 -9.033 1.00 0.00 S ATOM 1073 CE MET A 215 2.042 -0.170 -10.461 1.00 0.00 C ATOM 0 H MET A 215 4.208 0.710 -5.200 1.00 0.00 H new ATOM 0 HA MET A 215 2.528 -1.590 -5.194 1.00 0.00 H new ATOM 0 HB2 MET A 215 1.813 0.506 -6.217 1.00 0.00 H new ATOM 0 HB3 MET A 215 3.230 0.556 -7.247 1.00 0.00 H new ATOM 0 HG2 MET A 215 2.447 -1.598 -8.344 1.00 0.00 H new ATOM 0 HG3 MET A 215 0.987 -1.519 -7.379 1.00 0.00 H new ATOM 0 HE1 MET A 215 1.720 0.444 -11.302 1.00 0.00 H new ATOM 0 HE2 MET A 215 3.087 0.043 -10.236 1.00 0.00 H new ATOM 0 HE3 MET A 215 1.933 -1.224 -10.718 1.00 0.00 H new ATOM 1083 N THR A 216 5.268 -1.665 -6.974 1.00 0.00 N ATOM 1084 CA THR A 216 6.150 -2.532 -7.738 1.00 0.00 C ATOM 1085 C THR A 216 6.583 -3.731 -6.893 1.00 0.00 C ATOM 1086 O THR A 216 6.698 -4.845 -7.403 1.00 0.00 O ATOM 1087 CB THR A 216 7.322 -1.687 -8.240 1.00 0.00 C ATOM 1088 OG1 THR A 216 6.982 -1.388 -9.591 1.00 0.00 O ATOM 1089 CG2 THR A 216 8.618 -2.491 -8.352 1.00 0.00 C ATOM 0 H THR A 216 5.656 -0.747 -6.755 1.00 0.00 H new ATOM 0 HA THR A 216 5.639 -2.953 -8.604 1.00 0.00 H new ATOM 0 HB THR A 216 7.475 -0.844 -7.567 1.00 0.00 H new ATOM 0 HG1 THR A 216 7.689 -0.840 -9.993 1.00 0.00 H new ATOM 0 HG21 THR A 216 9.418 -1.844 -8.713 1.00 0.00 H new ATOM 0 HG22 THR A 216 8.886 -2.888 -7.373 1.00 0.00 H new ATOM 0 HG23 THR A 216 8.476 -3.315 -9.051 1.00 0.00 H new ATOM 1097 N ALA A 217 6.813 -3.462 -5.615 1.00 0.00 N ATOM 1098 CA ALA A 217 7.231 -4.507 -4.695 1.00 0.00 C ATOM 1099 C ALA A 217 6.048 -5.434 -4.411 1.00 0.00 C ATOM 1100 O ALA A 217 6.220 -6.645 -4.285 1.00 0.00 O ATOM 1101 CB ALA A 217 7.791 -3.869 -3.423 1.00 0.00 C ATOM 0 H ALA A 217 6.718 -2.537 -5.196 1.00 0.00 H new ATOM 0 HA ALA A 217 8.024 -5.112 -5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.105 -4.651 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.647 -3.243 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.021 -3.257 -2.953 1.00 0.00 H new ATOM 1107 N CYS A 218 4.873 -4.829 -4.318 1.00 0.00 N ATOM 1108 CA CYS A 218 3.661 -5.586 -4.049 1.00 0.00 C ATOM 1109 C CYS A 218 3.424 -6.542 -5.220 1.00 0.00 C ATOM 1110 O CYS A 218 3.134 -7.720 -5.016 1.00 0.00 O ATOM 1111 CB CYS A 218 2.462 -4.667 -3.812 1.00 0.00 C ATOM 1112 SG CYS A 218 1.101 -5.604 -3.025 1.00 0.00 S ATOM 0 H CYS A 218 4.734 -3.824 -4.424 1.00 0.00 H new ATOM 0 HA CYS A 218 3.783 -6.160 -3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.754 -3.831 -3.176 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.124 -4.245 -4.758 1.00 0.00 H new ATOM 0 HG CYS A 218 0.270 -4.775 -2.465 1.00 0.00 H new ATOM 1118 N GLN A 219 3.555 -6.000 -6.422 1.00 0.00 N ATOM 1119 CA GLN A 219 3.358 -6.789 -7.625 1.00 0.00 C ATOM 1120 C GLN A 219 4.382 -7.926 -7.688 1.00 0.00 C ATOM 1121 O GLN A 219 4.141 -8.946 -8.330 1.00 0.00 O ATOM 1122 CB GLN A 219 3.436 -5.912 -8.876 1.00 0.00 C ATOM 1123 CG GLN A 219 2.173 -6.058 -9.728 1.00 0.00 C ATOM 1124 CD GLN A 219 2.425 -5.598 -11.164 1.00 0.00 C ATOM 1125 OE1 GLN A 219 3.402 -5.962 -11.798 1.00 0.00 O ATOM 1126 NE2 GLN A 219 1.490 -4.782 -11.644 1.00 0.00 N ATOM 0 H GLN A 219 3.795 -5.023 -6.588 1.00 0.00 H new ATOM 0 HA GLN A 219 2.360 -7.226 -7.589 1.00 0.00 H new ATOM 0 HB2 GLN A 219 3.565 -4.869 -8.586 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.310 -6.189 -9.465 1.00 0.00 H new ATOM 0 HG2 GLN A 219 1.848 -7.098 -9.727 1.00 0.00 H new ATOM 0 HG3 GLN A 219 1.365 -5.471 -9.291 1.00 0.00 H new ATOM 0 HE21 GLN A 219 0.697 -4.516 -11.061 1.00 0.00 H new ATOM 0 HE22 GLN A 219 1.566 -4.422 -12.595 1.00 0.00 H new ATOM 1135 N GLY A 220 5.500 -7.710 -7.011 1.00 0.00 N ATOM 1136 CA GLY A 220 6.561 -8.702 -6.982 1.00 0.00 C ATOM 1137 C GLY A 220 6.221 -9.839 -6.016 1.00 0.00 C ATOM 1138 O GLY A 220 6.642 -10.976 -6.218 1.00 0.00 O ATOM 0 H GLY A 220 5.694 -6.862 -6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.715 -9.104 -7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.496 -8.231 -6.680 1.00 0.00 H new ATOM 1142 N VAL A 221 5.462 -9.491 -4.987 1.00 0.00 N ATOM 1143 CA VAL A 221 5.061 -10.468 -3.989 1.00 0.00 C ATOM 1144 C VAL A 221 4.489 -11.702 -4.690 1.00 0.00 C ATOM 1145 O VAL A 221 3.837 -11.585 -5.727 1.00 0.00 O ATOM 1146 CB VAL A 221 4.080 -9.834 -3.001 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.637 -9.976 -3.492 1.00 0.00 C ATOM 1148 CG2 VAL A 221 4.244 -10.436 -1.604 1.00 0.00 C ATOM 0 H VAL A 221 5.114 -8.546 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 221 5.923 -10.795 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 221 4.309 -8.770 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.961 -9.517 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.530 -9.480 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 221 2.391 -11.033 -3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 221 3.535 -9.968 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 221 4.054 -11.509 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 221 5.260 -10.261 -1.249 1.00 0.00 H new