USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 562 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 78 THR OG1 : rot 28:sc= 0.376 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.31 F(o=-0.96,f=-0.31) USER MOD Single : A 87 SER OG : rot 158:sc= 0.115 USER MOD Single : A 90 CYS SG : rot -50:sc= -0.687 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0272 USER MOD Single : A 92 SER OG : rot 180:sc= -0.236 USER MOD Single : A 93 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.024) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot -1:sc= -0.995 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 165:sc= -0.0619 USER MOD Single : A 118 HIS :FLIP no HD1:sc= -0.825 F(o=-1.8,f=-0.83) USER MOD Single : A 119 MET CE :methyl 178:sc= -2.27! (180deg=-2.34!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -163:sc= -0.0128 (180deg=-0.139) USER MOD Single : A 131 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.32) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 135 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.167) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 SER OG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N THR A 78 -14.263 7.448 1.407 1.00 0.00 N ATOM 81 CA THR A 78 -13.209 7.522 0.403 1.00 0.00 C ATOM 82 C THR A 78 -13.032 6.185 -0.308 1.00 0.00 C ATOM 83 O THR A 78 -13.557 5.163 0.133 1.00 0.00 O ATOM 84 CB THR A 78 -11.865 7.940 1.029 1.00 0.00 C ATOM 85 OG1 THR A 78 -12.081 8.949 2.023 1.00 0.00 O ATOM 86 CG2 THR A 78 -10.913 8.464 -0.035 1.00 0.00 C ATOM 0 HA THR A 78 -13.515 8.278 -0.321 1.00 0.00 H new ATOM 0 HB THR A 78 -11.416 7.062 1.494 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.981 8.851 2.399 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.971 8.753 0.430 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.729 7.684 -0.774 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.357 9.331 -0.525 1.00 0.00 H new ATOM 94 N TRP A 79 -12.288 6.200 -1.408 1.00 0.00 N ATOM 95 CA TRP A 79 -12.040 4.987 -2.179 1.00 0.00 C ATOM 96 C TRP A 79 -11.035 4.086 -1.470 1.00 0.00 C ATOM 97 O TRP A 79 -10.429 4.480 -0.473 1.00 0.00 O ATOM 98 CB TRP A 79 -11.530 5.341 -3.576 1.00 0.00 C ATOM 99 CG TRP A 79 -12.613 5.797 -4.507 1.00 0.00 C ATOM 100 CD1 TRP A 79 -13.026 7.081 -4.718 1.00 0.00 C ATOM 101 CD2 TRP A 79 -13.422 4.969 -5.350 1.00 0.00 C ATOM 102 NE1 TRP A 79 -14.043 7.102 -5.641 1.00 0.00 N ATOM 103 CE2 TRP A 79 -14.304 5.820 -6.045 1.00 0.00 C ATOM 104 CE3 TRP A 79 -13.485 3.594 -5.587 1.00 0.00 C ATOM 105 CZ2 TRP A 79 -15.237 5.337 -6.959 1.00 0.00 C ATOM 106 CZ3 TRP A 79 -14.412 3.116 -6.494 1.00 0.00 C ATOM 107 CH2 TRP A 79 -15.277 3.986 -7.172 1.00 0.00 C ATOM 0 H TRP A 79 -11.846 7.038 -1.786 1.00 0.00 H new ATOM 0 HA TRP A 79 -12.982 4.446 -2.270 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.779 6.126 -3.492 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -11.035 4.470 -4.005 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.614 7.952 -4.231 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -14.526 7.937 -5.972 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -12.821 2.916 -5.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -15.906 6.005 -7.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -14.471 2.054 -6.683 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -15.989 3.582 -7.876 1.00 0.00 H new ATOM 118 N LYS A 80 -10.861 2.876 -1.990 1.00 0.00 N ATOM 119 CA LYS A 80 -9.927 1.920 -1.408 1.00 0.00 C ATOM 120 C LYS A 80 -9.324 1.023 -2.485 1.00 0.00 C ATOM 121 O LYS A 80 -10.047 0.421 -3.280 1.00 0.00 O ATOM 122 CB LYS A 80 -10.632 1.064 -0.353 1.00 0.00 C ATOM 123 CG LYS A 80 -10.566 1.649 1.047 1.00 0.00 C ATOM 124 CD LYS A 80 -11.572 0.988 1.975 1.00 0.00 C ATOM 125 CE LYS A 80 -11.100 -0.387 2.421 1.00 0.00 C ATOM 126 NZ LYS A 80 -11.734 -0.802 3.703 1.00 0.00 N ATOM 0 H LYS A 80 -11.355 2.534 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.121 2.481 -0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.677 0.940 -0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.184 0.071 -0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.561 1.522 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.759 2.721 1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.732 1.620 2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.532 0.897 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.332 -1.119 1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.016 -0.379 2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.386 -1.744 3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.492 -0.117 4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.767 -0.835 3.585 1.00 0.00 H new ATOM 140 N ILE A 81 -7.999 0.937 -2.504 1.00 0.00 N ATOM 141 CA ILE A 81 -7.301 0.112 -3.482 1.00 0.00 C ATOM 142 C ILE A 81 -6.339 -0.855 -2.799 1.00 0.00 C ATOM 143 O ILE A 81 -5.420 -0.438 -2.094 1.00 0.00 O ATOM 144 CB ILE A 81 -6.516 0.974 -4.488 1.00 0.00 C ATOM 145 CG1 ILE A 81 -7.436 2.015 -5.128 1.00 0.00 C ATOM 146 CG2 ILE A 81 -5.879 0.095 -5.555 1.00 0.00 C ATOM 147 CD1 ILE A 81 -6.694 3.183 -5.740 1.00 0.00 C ATOM 0 H ILE A 81 -7.387 1.429 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.063 -0.454 -4.018 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.723 1.497 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -8.036 1.532 -5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -8.128 2.390 -4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.328 0.719 -6.259 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.196 -0.612 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.657 -0.452 -6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.409 3.881 -6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.115 3.691 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.022 2.820 -6.518 1.00 0.00 H new ATOM 159 N PHE A 82 -6.557 -2.148 -3.014 1.00 0.00 N ATOM 160 CA PHE A 82 -5.710 -3.175 -2.420 1.00 0.00 C ATOM 161 C PHE A 82 -4.437 -3.371 -3.239 1.00 0.00 C ATOM 162 O PHE A 82 -4.489 -3.538 -4.458 1.00 0.00 O ATOM 163 CB PHE A 82 -6.471 -4.498 -2.317 1.00 0.00 C ATOM 164 CG PHE A 82 -5.604 -5.660 -1.925 1.00 0.00 C ATOM 165 CD1 PHE A 82 -4.710 -6.210 -2.829 1.00 0.00 C ATOM 166 CD2 PHE A 82 -5.683 -6.202 -0.652 1.00 0.00 C ATOM 167 CE1 PHE A 82 -3.910 -7.280 -2.472 1.00 0.00 C ATOM 168 CE2 PHE A 82 -4.886 -7.271 -0.289 1.00 0.00 C ATOM 169 CZ PHE A 82 -3.999 -7.811 -1.200 1.00 0.00 C ATOM 0 H PHE A 82 -7.313 -2.509 -3.595 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.431 -2.845 -1.419 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.273 -4.391 -1.586 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.941 -4.713 -3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.637 -5.798 -3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.375 -5.784 0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.217 -7.700 -3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.957 -7.684 0.706 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.376 -8.647 -0.918 1.00 0.00 H new ATOM 179 N VAL A 83 -3.294 -3.347 -2.560 1.00 0.00 N ATOM 180 CA VAL A 83 -2.008 -3.522 -3.224 1.00 0.00 C ATOM 181 C VAL A 83 -1.235 -4.692 -2.624 1.00 0.00 C ATOM 182 O VAL A 83 -0.768 -4.624 -1.488 1.00 0.00 O ATOM 183 CB VAL A 83 -1.147 -2.248 -3.125 1.00 0.00 C ATOM 184 CG1 VAL A 83 0.191 -2.453 -3.818 1.00 0.00 C ATOM 185 CG2 VAL A 83 -1.888 -1.059 -3.717 1.00 0.00 C ATOM 0 H VAL A 83 -3.233 -3.208 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.219 -3.729 -4.273 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.955 -2.040 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.785 -1.543 -3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.724 -3.277 -3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.024 -2.686 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.266 -0.167 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.112 -1.255 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.818 -0.901 -3.171 1.00 0.00 H new ATOM 195 N GLY A 84 -1.103 -5.766 -3.397 1.00 0.00 N ATOM 196 CA GLY A 84 -0.386 -6.936 -2.925 1.00 0.00 C ATOM 197 C GLY A 84 1.008 -7.037 -3.513 1.00 0.00 C ATOM 198 O GLY A 84 1.473 -6.119 -4.186 1.00 0.00 O ATOM 0 H GLY A 84 -1.480 -5.846 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.317 -6.902 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.951 -7.832 -3.181 1.00 0.00 H new ATOM 202 N ASN A 85 1.677 -8.156 -3.255 1.00 0.00 N ATOM 203 CA ASN A 85 3.028 -8.373 -3.762 1.00 0.00 C ATOM 204 C ASN A 85 3.930 -7.189 -3.429 1.00 0.00 C ATOM 205 O ASN A 85 4.671 -6.699 -4.282 1.00 0.00 O ATOM 206 CB ASN A 85 2.997 -8.596 -5.275 1.00 0.00 C ATOM 207 CG ASN A 85 4.130 -9.485 -5.751 1.00 0.00 C ATOM 208 OD1 ASN A 85 5.210 -8.868 -6.217 1.00 0.00 O flip ATOM 209 ND2 ASN A 85 4.035 -10.711 -5.700 1.00 0.00 N flip ATOM 0 H ASN A 85 1.306 -8.926 -2.698 1.00 0.00 H new ATOM 0 HA ASN A 85 3.433 -9.262 -3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.044 -9.046 -5.554 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.056 -7.633 -5.783 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.186 -11.142 -5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.805 -11.296 -6.024 1.00 0.00 H new ATOM 216 N VAL A 86 3.863 -6.733 -2.182 1.00 0.00 N ATOM 217 CA VAL A 86 4.675 -5.607 -1.734 1.00 0.00 C ATOM 218 C VAL A 86 6.015 -6.081 -1.183 1.00 0.00 C ATOM 219 O VAL A 86 6.066 -6.855 -0.227 1.00 0.00 O ATOM 220 CB VAL A 86 3.948 -4.786 -0.653 1.00 0.00 C ATOM 221 CG1 VAL A 86 4.822 -3.634 -0.181 1.00 0.00 C ATOM 222 CG2 VAL A 86 2.615 -4.275 -1.178 1.00 0.00 C ATOM 0 H VAL A 86 3.255 -7.126 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 86 4.847 -4.974 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 86 3.751 -5.435 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.292 -3.065 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.748 -4.028 0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.053 -2.983 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.115 -3.697 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.786 -3.641 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.988 -5.120 -1.462 1.00 0.00 H new ATOM 232 N SER A 87 7.099 -5.611 -1.792 1.00 0.00 N ATOM 233 CA SER A 87 8.441 -5.989 -1.364 1.00 0.00 C ATOM 234 C SER A 87 8.628 -5.730 0.128 1.00 0.00 C ATOM 235 O SER A 87 7.912 -4.927 0.724 1.00 0.00 O ATOM 236 CB SER A 87 9.491 -5.216 -2.164 1.00 0.00 C ATOM 237 OG SER A 87 10.682 -5.971 -2.304 1.00 0.00 O ATOM 0 H SER A 87 7.074 -4.968 -2.583 1.00 0.00 H new ATOM 0 HA SER A 87 8.568 -7.056 -1.548 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.094 -4.970 -3.149 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.711 -4.272 -1.665 1.00 0.00 H new ATOM 0 HG SER A 87 11.188 -5.644 -3.077 1.00 0.00 H new ATOM 243 N ALA A 88 9.598 -6.415 0.724 1.00 0.00 N ATOM 244 CA ALA A 88 9.883 -6.258 2.144 1.00 0.00 C ATOM 245 C ALA A 88 10.600 -4.941 2.418 1.00 0.00 C ATOM 246 O ALA A 88 10.333 -4.273 3.417 1.00 0.00 O ATOM 247 CB ALA A 88 10.714 -7.429 2.649 1.00 0.00 C ATOM 0 H ALA A 88 10.200 -7.085 0.245 1.00 0.00 H new ATOM 0 HA ALA A 88 8.934 -6.243 2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.919 -7.298 3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.164 -8.358 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.655 -7.471 2.100 1.00 0.00 H new ATOM 253 N ALA A 89 11.514 -4.573 1.526 1.00 0.00 N ATOM 254 CA ALA A 89 12.269 -3.335 1.671 1.00 0.00 C ATOM 255 C ALA A 89 11.498 -2.151 1.096 1.00 0.00 C ATOM 256 O ALA A 89 12.093 -1.184 0.618 1.00 0.00 O ATOM 257 CB ALA A 89 13.626 -3.462 0.995 1.00 0.00 C ATOM 0 H ALA A 89 11.749 -5.115 0.695 1.00 0.00 H new ATOM 0 HA ALA A 89 12.421 -3.154 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.179 -2.530 1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.187 -4.276 1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.486 -3.671 -0.066 1.00 0.00 H new ATOM 263 N CYS A 90 10.173 -2.234 1.145 1.00 0.00 N ATOM 264 CA CYS A 90 9.321 -1.170 0.627 1.00 0.00 C ATOM 265 C CYS A 90 8.742 -0.335 1.765 1.00 0.00 C ATOM 266 O CYS A 90 8.435 -0.856 2.838 1.00 0.00 O ATOM 267 CB CYS A 90 8.190 -1.759 -0.217 1.00 0.00 C ATOM 268 SG CYS A 90 7.236 -0.528 -1.135 1.00 0.00 S ATOM 0 H CYS A 90 9.666 -3.027 1.538 1.00 0.00 H new ATOM 0 HA CYS A 90 9.932 -0.521 -0.001 1.00 0.00 H new ATOM 0 HB2 CYS A 90 8.612 -2.475 -0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 90 7.515 -2.313 0.435 1.00 0.00 H new ATOM 0 HG CYS A 90 6.866 0.423 -0.330 1.00 0.00 H new ATOM 274 N THR A 91 8.595 0.964 1.524 1.00 0.00 N ATOM 275 CA THR A 91 8.056 1.872 2.529 1.00 0.00 C ATOM 276 C THR A 91 6.613 2.246 2.213 1.00 0.00 C ATOM 277 O THR A 91 6.154 2.089 1.081 1.00 0.00 O ATOM 278 CB THR A 91 8.897 3.158 2.633 1.00 0.00 C ATOM 279 OG1 THR A 91 9.244 3.624 1.325 1.00 0.00 O ATOM 280 CG2 THR A 91 10.162 2.913 3.442 1.00 0.00 C ATOM 0 H THR A 91 8.842 1.411 0.641 1.00 0.00 H new ATOM 0 HA THR A 91 8.092 1.346 3.483 1.00 0.00 H new ATOM 0 HB THR A 91 8.301 3.916 3.141 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.777 4.443 1.400 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.740 3.835 3.502 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.894 2.587 4.447 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.760 2.141 2.958 1.00 0.00 H new ATOM 288 N SER A 92 5.901 2.743 3.220 1.00 0.00 N ATOM 289 CA SER A 92 4.508 3.137 3.049 1.00 0.00 C ATOM 290 C SER A 92 4.395 4.351 2.132 1.00 0.00 C ATOM 291 O SER A 92 3.624 4.347 1.173 1.00 0.00 O ATOM 292 CB SER A 92 3.874 3.449 4.407 1.00 0.00 C ATOM 293 OG SER A 92 4.462 4.598 4.992 1.00 0.00 O ATOM 0 H SER A 92 6.266 2.882 4.162 1.00 0.00 H new ATOM 0 HA SER A 92 3.975 2.305 2.589 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.803 3.607 4.284 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.995 2.595 5.073 1.00 0.00 H new ATOM 0 HG SER A 92 4.039 4.777 5.858 1.00 0.00 H new ATOM 299 N GLN A 93 5.169 5.388 2.434 1.00 0.00 N ATOM 300 CA GLN A 93 5.156 6.609 1.637 1.00 0.00 C ATOM 301 C GLN A 93 5.313 6.292 0.154 1.00 0.00 C ATOM 302 O GLN A 93 4.722 6.956 -0.698 1.00 0.00 O ATOM 303 CB GLN A 93 6.273 7.551 2.091 1.00 0.00 C ATOM 304 CG GLN A 93 7.649 7.153 1.581 1.00 0.00 C ATOM 305 CD GLN A 93 8.769 7.677 2.457 1.00 0.00 C ATOM 306 OE1 GLN A 93 9.673 8.366 1.984 1.00 0.00 O ATOM 307 NE2 GLN A 93 8.716 7.352 3.744 1.00 0.00 N ATOM 0 H GLN A 93 5.813 5.407 3.225 1.00 0.00 H new ATOM 0 HA GLN A 93 4.194 7.100 1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 93 6.046 8.561 1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.293 7.579 3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.712 6.066 1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.779 7.530 0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.948 6.779 4.094 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.443 7.676 4.382 1.00 0.00 H new ATOM 316 N GLU A 94 6.114 5.274 -0.148 1.00 0.00 N ATOM 317 CA GLU A 94 6.348 4.872 -1.530 1.00 0.00 C ATOM 318 C GLU A 94 5.029 4.652 -2.264 1.00 0.00 C ATOM 319 O GLU A 94 4.650 5.440 -3.132 1.00 0.00 O ATOM 320 CB GLU A 94 7.189 3.594 -1.576 1.00 0.00 C ATOM 321 CG GLU A 94 7.779 3.303 -2.946 1.00 0.00 C ATOM 322 CD GLU A 94 6.721 2.944 -3.972 1.00 0.00 C ATOM 323 OE1 GLU A 94 5.990 1.957 -3.751 1.00 0.00 O ATOM 324 OE2 GLU A 94 6.625 3.653 -4.996 1.00 0.00 O ATOM 0 H GLU A 94 6.611 4.714 0.545 1.00 0.00 H new ATOM 0 HA GLU A 94 6.891 5.675 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.999 3.676 -0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.570 2.751 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.334 4.175 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.493 2.483 -2.864 1.00 0.00 H new ATOM 331 N LEU A 95 4.334 3.577 -1.911 1.00 0.00 N ATOM 332 CA LEU A 95 3.056 3.252 -2.536 1.00 0.00 C ATOM 333 C LEU A 95 2.147 4.475 -2.584 1.00 0.00 C ATOM 334 O LEU A 95 1.556 4.781 -3.620 1.00 0.00 O ATOM 335 CB LEU A 95 2.367 2.119 -1.773 1.00 0.00 C ATOM 336 CG LEU A 95 1.176 1.465 -2.475 1.00 0.00 C ATOM 337 CD1 LEU A 95 1.552 1.051 -3.889 1.00 0.00 C ATOM 338 CD2 LEU A 95 0.681 0.266 -1.680 1.00 0.00 C ATOM 0 H LEU A 95 4.633 2.915 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 95 3.251 2.927 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.107 1.347 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.029 2.508 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 95 0.368 2.194 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.692 0.588 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.858 1.930 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.376 0.338 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.167 -0.187 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.483 -0.466 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.371 0.591 -0.687 1.00 0.00 H new ATOM 350 N ARG A 96 2.042 5.173 -1.458 1.00 0.00 N ATOM 351 CA ARG A 96 1.206 6.364 -1.373 1.00 0.00 C ATOM 352 C ARG A 96 1.582 7.372 -2.455 1.00 0.00 C ATOM 353 O ARG A 96 0.716 7.908 -3.147 1.00 0.00 O ATOM 354 CB ARG A 96 1.339 7.009 0.008 1.00 0.00 C ATOM 355 CG ARG A 96 0.529 8.286 0.165 1.00 0.00 C ATOM 356 CD ARG A 96 1.069 9.153 1.292 1.00 0.00 C ATOM 357 NE ARG A 96 0.842 10.574 1.045 1.00 0.00 N ATOM 358 CZ ARG A 96 1.364 11.542 1.790 1.00 0.00 C ATOM 359 NH1 ARG A 96 2.140 11.243 2.823 1.00 0.00 N ATOM 360 NH2 ARG A 96 1.112 12.813 1.502 1.00 0.00 N ATOM 0 H ARG A 96 2.525 4.934 -0.592 1.00 0.00 H new ATOM 0 HA ARG A 96 0.170 6.061 -1.527 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.023 6.293 0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.390 7.230 0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.548 8.848 -0.769 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.513 8.035 0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.592 8.867 2.230 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.137 8.971 1.409 1.00 0.00 H new ATOM 0 HE ARG A 96 0.250 10.838 0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.337 10.268 3.047 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.540 11.988 3.393 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.517 13.048 0.708 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.514 13.555 2.075 1.00 0.00 H new ATOM 374 N SER A 97 2.880 7.625 -2.596 1.00 0.00 N ATOM 375 CA SER A 97 3.371 8.571 -3.591 1.00 0.00 C ATOM 376 C SER A 97 2.849 8.217 -4.980 1.00 0.00 C ATOM 377 O SER A 97 2.334 9.074 -5.700 1.00 0.00 O ATOM 378 CB SER A 97 4.900 8.589 -3.597 1.00 0.00 C ATOM 379 OG SER A 97 5.394 9.677 -4.358 1.00 0.00 O ATOM 0 H SER A 97 3.610 7.188 -2.034 1.00 0.00 H new ATOM 0 HA SER A 97 3.005 9.563 -3.326 1.00 0.00 H new ATOM 0 HB2 SER A 97 5.270 8.659 -2.574 1.00 0.00 H new ATOM 0 HB3 SER A 97 5.276 7.653 -4.009 1.00 0.00 H new ATOM 0 HG SER A 97 6.374 9.667 -4.345 1.00 0.00 H new ATOM 385 N LEU A 98 2.987 6.949 -5.352 1.00 0.00 N ATOM 386 CA LEU A 98 2.530 6.480 -6.655 1.00 0.00 C ATOM 387 C LEU A 98 1.071 6.859 -6.890 1.00 0.00 C ATOM 388 O LEU A 98 0.744 7.534 -7.866 1.00 0.00 O ATOM 389 CB LEU A 98 2.698 4.963 -6.761 1.00 0.00 C ATOM 390 CG LEU A 98 4.106 4.465 -7.086 1.00 0.00 C ATOM 391 CD1 LEU A 98 4.244 2.990 -6.740 1.00 0.00 C ATOM 392 CD2 LEU A 98 4.431 4.702 -8.554 1.00 0.00 C ATOM 0 H LEU A 98 3.412 6.227 -4.769 1.00 0.00 H new ATOM 0 HA LEU A 98 3.139 6.961 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.385 4.516 -5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.018 4.595 -7.529 1.00 0.00 H new ATOM 0 HG LEU A 98 4.817 5.028 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.253 2.653 -6.978 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.055 2.847 -5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.523 2.412 -7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.437 4.341 -8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.714 4.166 -9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.374 5.769 -8.772 1.00 0.00 H new ATOM 404 N PHE A 99 0.199 6.422 -5.987 1.00 0.00 N ATOM 405 CA PHE A 99 -1.225 6.717 -6.095 1.00 0.00 C ATOM 406 C PHE A 99 -1.474 8.222 -6.050 1.00 0.00 C ATOM 407 O PHE A 99 -2.372 8.733 -6.718 1.00 0.00 O ATOM 408 CB PHE A 99 -1.997 6.027 -4.969 1.00 0.00 C ATOM 409 CG PHE A 99 -2.141 4.544 -5.162 1.00 0.00 C ATOM 410 CD1 PHE A 99 -3.093 4.035 -6.030 1.00 0.00 C ATOM 411 CD2 PHE A 99 -1.325 3.660 -4.475 1.00 0.00 C ATOM 412 CE1 PHE A 99 -3.228 2.671 -6.211 1.00 0.00 C ATOM 413 CE2 PHE A 99 -1.455 2.296 -4.652 1.00 0.00 C ATOM 414 CZ PHE A 99 -2.409 1.800 -5.519 1.00 0.00 C ATOM 0 H PHE A 99 0.453 5.863 -5.173 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.578 6.337 -7.054 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.489 6.215 -4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.988 6.473 -4.892 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.737 4.712 -6.572 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.579 4.041 -3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.973 2.287 -6.892 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.811 1.618 -4.112 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.514 0.734 -5.656 1.00 0.00 H new ATOM 424 N GLU A 100 -0.672 8.925 -5.257 1.00 0.00 N ATOM 425 CA GLU A 100 -0.806 10.371 -5.123 1.00 0.00 C ATOM 426 C GLU A 100 -0.672 11.057 -6.479 1.00 0.00 C ATOM 427 O GLU A 100 -1.434 11.968 -6.804 1.00 0.00 O ATOM 428 CB GLU A 100 0.247 10.916 -4.156 1.00 0.00 C ATOM 429 CG GLU A 100 -0.209 10.935 -2.707 1.00 0.00 C ATOM 430 CD GLU A 100 -1.068 12.142 -2.381 1.00 0.00 C ATOM 431 OE1 GLU A 100 -1.979 12.452 -3.177 1.00 0.00 O ATOM 432 OE2 GLU A 100 -0.828 12.776 -1.332 1.00 0.00 O ATOM 0 H GLU A 100 0.077 8.517 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.798 10.583 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.150 10.310 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.515 11.929 -4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.771 10.026 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.665 10.929 -2.055 1.00 0.00 H new ATOM 439 N ARG A 101 0.303 10.614 -7.266 1.00 0.00 N ATOM 440 CA ARG A 101 0.540 11.187 -8.585 1.00 0.00 C ATOM 441 C ARG A 101 -0.595 10.833 -9.542 1.00 0.00 C ATOM 442 O ARG A 101 -1.050 11.674 -10.318 1.00 0.00 O ATOM 443 CB ARG A 101 1.871 10.688 -9.150 1.00 0.00 C ATOM 444 CG ARG A 101 3.079 11.446 -8.623 1.00 0.00 C ATOM 445 CD ARG A 101 4.353 11.036 -9.344 1.00 0.00 C ATOM 446 NE ARG A 101 5.509 11.805 -8.893 1.00 0.00 N ATOM 447 CZ ARG A 101 6.716 11.707 -9.439 1.00 0.00 C ATOM 448 NH1 ARG A 101 6.923 10.877 -10.452 1.00 0.00 N ATOM 449 NH2 ARG A 101 7.719 12.440 -8.973 1.00 0.00 N ATOM 0 H ARG A 101 0.942 9.860 -7.013 1.00 0.00 H new ATOM 0 HA ARG A 101 0.581 12.271 -8.481 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.984 9.630 -8.911 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.848 10.769 -10.237 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.919 12.517 -8.745 1.00 0.00 H new ATOM 0 HG3 ARG A 101 3.189 11.260 -7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 101 4.537 9.974 -9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.222 11.174 -10.417 1.00 0.00 H new ATOM 0 HE ARG A 101 5.383 12.453 -8.116 1.00 0.00 H new ATOM 0 HH11 ARG A 101 6.155 10.312 -10.814 1.00 0.00 H new ATOM 0 HH12 ARG A 101 7.851 10.803 -10.870 1.00 0.00 H new ATOM 0 HH21 ARG A 101 7.564 13.080 -8.194 1.00 0.00 H new ATOM 0 HH22 ARG A 101 8.645 12.363 -9.394 1.00 0.00 H new ATOM 463 N ARG A 102 -1.046 9.585 -9.482 1.00 0.00 N ATOM 464 CA ARG A 102 -2.126 9.120 -10.344 1.00 0.00 C ATOM 465 C ARG A 102 -3.487 9.448 -9.736 1.00 0.00 C ATOM 466 O ARG A 102 -4.508 8.893 -10.139 1.00 0.00 O ATOM 467 CB ARG A 102 -2.009 7.612 -10.576 1.00 0.00 C ATOM 468 CG ARG A 102 -1.013 7.238 -11.661 1.00 0.00 C ATOM 469 CD ARG A 102 0.413 7.243 -11.135 1.00 0.00 C ATOM 470 NE ARG A 102 1.392 7.052 -12.202 1.00 0.00 N ATOM 471 CZ ARG A 102 1.642 5.877 -12.768 1.00 0.00 C ATOM 472 NH1 ARG A 102 0.988 4.794 -12.371 1.00 0.00 N ATOM 473 NH2 ARG A 102 2.547 5.784 -13.734 1.00 0.00 N ATOM 0 H ARG A 102 -0.680 8.877 -8.845 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.041 9.636 -11.301 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.715 7.131 -9.643 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.989 7.217 -10.843 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.254 6.250 -12.052 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.098 7.939 -12.491 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.609 8.188 -10.629 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.528 6.454 -10.392 1.00 0.00 H new ATOM 0 HE ARG A 102 1.912 7.866 -12.530 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.291 4.862 -11.629 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.182 3.893 -12.807 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.051 6.615 -14.042 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.738 4.881 -14.168 1.00 0.00 H new ATOM 487 N GLY A 103 -3.491 10.353 -8.762 1.00 0.00 N ATOM 488 CA GLY A 103 -4.731 10.739 -8.114 1.00 0.00 C ATOM 489 C GLY A 103 -4.529 11.130 -6.663 1.00 0.00 C ATOM 490 O GLY A 103 -3.582 10.682 -6.018 1.00 0.00 O ATOM 0 H GLY A 103 -2.658 10.825 -8.410 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.175 11.575 -8.654 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.439 9.912 -8.169 1.00 0.00 H new ATOM 494 N ARG A 104 -5.422 11.970 -6.149 1.00 0.00 N ATOM 495 CA ARG A 104 -5.335 12.425 -4.767 1.00 0.00 C ATOM 496 C ARG A 104 -5.519 11.259 -3.799 1.00 0.00 C ATOM 497 O ARG A 104 -6.456 10.472 -3.929 1.00 0.00 O ATOM 498 CB ARG A 104 -6.390 13.499 -4.494 1.00 0.00 C ATOM 499 CG ARG A 104 -6.854 13.543 -3.047 1.00 0.00 C ATOM 500 CD ARG A 104 -7.265 14.949 -2.637 1.00 0.00 C ATOM 501 NE ARG A 104 -8.596 15.294 -3.127 1.00 0.00 N ATOM 502 CZ ARG A 104 -9.115 16.514 -3.047 1.00 0.00 C ATOM 503 NH1 ARG A 104 -8.419 17.500 -2.498 1.00 0.00 N ATOM 504 NH2 ARG A 104 -10.334 16.751 -3.516 1.00 0.00 N ATOM 0 H ARG A 104 -6.214 12.349 -6.669 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.344 12.851 -4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -5.984 14.473 -4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.252 13.322 -5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.695 12.863 -2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.053 13.192 -2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.247 15.030 -1.550 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -6.540 15.666 -3.022 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.158 14.558 -3.554 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -7.482 17.323 -2.136 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.820 18.436 -2.438 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.874 15.996 -3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.731 17.688 -3.454 1.00 0.00 H new ATOM 518 N VAL A 105 -4.616 11.155 -2.829 1.00 0.00 N ATOM 519 CA VAL A 105 -4.678 10.086 -1.839 1.00 0.00 C ATOM 520 C VAL A 105 -4.925 10.645 -0.442 1.00 0.00 C ATOM 521 O VAL A 105 -4.013 11.168 0.199 1.00 0.00 O ATOM 522 CB VAL A 105 -3.381 9.257 -1.826 1.00 0.00 C ATOM 523 CG1 VAL A 105 -3.439 8.190 -0.743 1.00 0.00 C ATOM 524 CG2 VAL A 105 -3.136 8.630 -3.190 1.00 0.00 C ATOM 0 H VAL A 105 -3.833 11.798 -2.708 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.510 9.441 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.548 9.923 -1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.513 7.614 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -3.564 8.665 0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.281 7.525 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.215 8.048 -3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.971 7.977 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.046 9.415 -3.941 1.00 0.00 H new ATOM 534 N ILE A 106 -6.164 10.530 0.025 1.00 0.00 N ATOM 535 CA ILE A 106 -6.530 11.022 1.347 1.00 0.00 C ATOM 536 C ILE A 106 -5.896 10.175 2.445 1.00 0.00 C ATOM 537 O ILE A 106 -5.352 10.703 3.414 1.00 0.00 O ATOM 538 CB ILE A 106 -8.058 11.032 1.541 1.00 0.00 C ATOM 539 CG1 ILE A 106 -8.737 11.756 0.376 1.00 0.00 C ATOM 540 CG2 ILE A 106 -8.420 11.690 2.864 1.00 0.00 C ATOM 541 CD1 ILE A 106 -10.238 11.867 0.526 1.00 0.00 C ATOM 0 H ILE A 106 -6.931 10.100 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.156 12.043 1.417 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.414 10.002 1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.314 12.756 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -8.511 11.228 -0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -9.503 11.689 2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.962 11.136 3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -8.055 12.717 2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -10.652 12.391 -0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -10.672 10.869 0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -10.473 12.421 1.435 1.00 0.00 H new ATOM 553 N GLU A 107 -5.967 8.857 2.283 1.00 0.00 N ATOM 554 CA GLU A 107 -5.398 7.937 3.261 1.00 0.00 C ATOM 555 C GLU A 107 -4.467 6.934 2.586 1.00 0.00 C ATOM 556 O GLU A 107 -4.471 6.793 1.362 1.00 0.00 O ATOM 557 CB GLU A 107 -6.511 7.195 4.004 1.00 0.00 C ATOM 558 CG GLU A 107 -6.911 7.852 5.314 1.00 0.00 C ATOM 559 CD GLU A 107 -5.716 8.329 6.116 1.00 0.00 C ATOM 560 OE1 GLU A 107 -4.881 7.482 6.497 1.00 0.00 O ATOM 561 OE2 GLU A 107 -5.615 9.549 6.363 1.00 0.00 O ATOM 0 H GLU A 107 -6.412 8.403 1.485 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.819 8.520 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.386 7.129 3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.185 6.174 4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.566 8.698 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.485 7.143 5.911 1.00 0.00 H new ATOM 568 N CYS A 108 -3.669 6.242 3.392 1.00 0.00 N ATOM 569 CA CYS A 108 -2.731 5.253 2.873 1.00 0.00 C ATOM 570 C CYS A 108 -2.118 4.438 4.008 1.00 0.00 C ATOM 571 O CYS A 108 -1.605 4.994 4.979 1.00 0.00 O ATOM 572 CB CYS A 108 -1.626 5.940 2.069 1.00 0.00 C ATOM 573 SG CYS A 108 -0.197 6.441 3.056 1.00 0.00 S ATOM 0 H CYS A 108 -3.653 6.347 4.406 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.280 4.576 2.218 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -1.291 5.265 1.281 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.042 6.820 1.579 1.00 0.00 H new ATOM 0 HG CYS A 108 -0.396 6.123 4.301 1.00 0.00 H new ATOM 579 N ASP A 109 -2.176 3.117 3.878 1.00 0.00 N ATOM 580 CA ASP A 109 -1.628 2.224 4.893 1.00 0.00 C ATOM 581 C ASP A 109 -0.927 1.033 4.247 1.00 0.00 C ATOM 582 O ASP A 109 -1.116 0.756 3.062 1.00 0.00 O ATOM 583 CB ASP A 109 -2.736 1.736 5.826 1.00 0.00 C ATOM 584 CG ASP A 109 -2.934 2.650 7.019 1.00 0.00 C ATOM 585 OD1 ASP A 109 -1.967 2.843 7.785 1.00 0.00 O ATOM 586 OD2 ASP A 109 -4.056 3.173 7.187 1.00 0.00 O ATOM 0 H ASP A 109 -2.597 2.641 3.080 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.895 2.782 5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.670 1.663 5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.495 0.733 6.177 1.00 0.00 H new ATOM 591 N VAL A 110 -0.117 0.332 5.034 1.00 0.00 N ATOM 592 CA VAL A 110 0.612 -0.830 4.539 1.00 0.00 C ATOM 593 C VAL A 110 0.414 -2.034 5.454 1.00 0.00 C ATOM 594 O VAL A 110 0.569 -1.934 6.671 1.00 0.00 O ATOM 595 CB VAL A 110 2.118 -0.536 4.414 1.00 0.00 C ATOM 596 CG1 VAL A 110 2.882 -1.803 4.060 1.00 0.00 C ATOM 597 CG2 VAL A 110 2.365 0.551 3.379 1.00 0.00 C ATOM 0 H VAL A 110 0.051 0.548 6.017 1.00 0.00 H new ATOM 0 HA VAL A 110 0.211 -1.058 3.551 1.00 0.00 H new ATOM 0 HB VAL A 110 2.481 -0.178 5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.945 -1.576 3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 110 2.731 -2.549 4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.518 -2.194 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 110 3.435 0.746 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.987 0.224 2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.850 1.464 3.680 1.00 0.00 H new ATOM 607 N VAL A 111 0.071 -3.172 4.860 1.00 0.00 N ATOM 608 CA VAL A 111 -0.147 -4.396 5.621 1.00 0.00 C ATOM 609 C VAL A 111 1.019 -5.364 5.450 1.00 0.00 C ATOM 610 O VAL A 111 1.909 -5.143 4.629 1.00 0.00 O ATOM 611 CB VAL A 111 -1.449 -5.099 5.194 1.00 0.00 C ATOM 612 CG1 VAL A 111 -1.892 -6.095 6.255 1.00 0.00 C ATOM 613 CG2 VAL A 111 -2.542 -4.075 4.923 1.00 0.00 C ATOM 0 H VAL A 111 -0.062 -3.272 3.854 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.226 -4.107 6.669 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.259 -5.648 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.814 -6.581 5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.115 -6.846 6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.065 -5.572 7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.455 -4.589 4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.732 -3.497 5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.223 -3.405 4.125 1.00 0.00 H new ATOM 623 N LYS A 112 1.008 -6.438 6.232 1.00 0.00 N ATOM 624 CA LYS A 112 2.063 -7.443 6.167 1.00 0.00 C ATOM 625 C LYS A 112 2.621 -7.556 4.752 1.00 0.00 C ATOM 626 O LYS A 112 3.713 -7.065 4.465 1.00 0.00 O ATOM 627 CB LYS A 112 1.530 -8.802 6.627 1.00 0.00 C ATOM 628 CG LYS A 112 1.660 -9.032 8.122 1.00 0.00 C ATOM 629 CD LYS A 112 0.591 -9.983 8.635 1.00 0.00 C ATOM 630 CE LYS A 112 0.371 -9.821 10.131 1.00 0.00 C ATOM 631 NZ LYS A 112 1.423 -10.514 10.925 1.00 0.00 N ATOM 0 H LYS A 112 0.280 -6.635 6.919 1.00 0.00 H new ATOM 0 HA LYS A 112 2.869 -7.131 6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.480 -8.885 6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 112 2.066 -9.591 6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.647 -9.438 8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.582 -8.079 8.646 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.345 -9.799 8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.883 -11.011 8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.364 -8.761 10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.608 -10.219 10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.237 -10.380 11.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.413 -11.530 10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.355 -10.117 10.688 1.00 0.00 H new ATOM 645 N ASP A 113 1.865 -8.203 3.873 1.00 0.00 N ATOM 646 CA ASP A 113 2.283 -8.378 2.487 1.00 0.00 C ATOM 647 C ASP A 113 1.490 -7.461 1.560 1.00 0.00 C ATOM 648 O ASP A 113 2.021 -6.948 0.575 1.00 0.00 O ATOM 649 CB ASP A 113 2.104 -9.835 2.057 1.00 0.00 C ATOM 650 CG ASP A 113 0.758 -10.399 2.469 1.00 0.00 C ATOM 651 OD1 ASP A 113 0.484 -10.452 3.686 1.00 0.00 O ATOM 652 OD2 ASP A 113 -0.021 -10.787 1.573 1.00 0.00 O ATOM 0 H ASP A 113 0.959 -8.615 4.095 1.00 0.00 H new ATOM 0 HA ASP A 113 3.338 -8.113 2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 113 2.209 -9.907 0.974 1.00 0.00 H new ATOM 0 HB3 ASP A 113 2.898 -10.440 2.495 1.00 0.00 H new ATOM 657 N TYR A 114 0.218 -7.260 1.883 1.00 0.00 N ATOM 658 CA TYR A 114 -0.649 -6.408 1.078 1.00 0.00 C ATOM 659 C TYR A 114 -0.702 -4.993 1.646 1.00 0.00 C ATOM 660 O TYR A 114 -0.063 -4.692 2.654 1.00 0.00 O ATOM 661 CB TYR A 114 -2.060 -6.996 1.012 1.00 0.00 C ATOM 662 CG TYR A 114 -2.633 -7.347 2.366 1.00 0.00 C ATOM 663 CD1 TYR A 114 -2.297 -8.539 2.997 1.00 0.00 C ATOM 664 CD2 TYR A 114 -3.511 -6.487 3.015 1.00 0.00 C ATOM 665 CE1 TYR A 114 -2.819 -8.864 4.234 1.00 0.00 C ATOM 666 CE2 TYR A 114 -4.036 -6.804 4.253 1.00 0.00 C ATOM 667 CZ TYR A 114 -3.687 -7.993 4.858 1.00 0.00 C ATOM 668 OH TYR A 114 -4.210 -8.313 6.091 1.00 0.00 O ATOM 0 H TYR A 114 -0.236 -7.675 2.697 1.00 0.00 H new ATOM 0 HA TYR A 114 -0.235 -6.361 0.071 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -2.720 -6.281 0.522 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -2.043 -7.891 0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -1.616 -9.223 2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -3.787 -5.555 2.544 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -2.549 -9.795 4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.716 -6.124 4.744 1.00 0.00 H new ATOM 0 HH TYR A 114 -4.603 -7.513 6.497 1.00 0.00 H new ATOM 678 N ALA A 115 -1.469 -4.127 0.991 1.00 0.00 N ATOM 679 CA ALA A 115 -1.609 -2.745 1.431 1.00 0.00 C ATOM 680 C ALA A 115 -2.989 -2.196 1.087 1.00 0.00 C ATOM 681 O ALA A 115 -3.770 -2.844 0.389 1.00 0.00 O ATOM 682 CB ALA A 115 -0.524 -1.880 0.805 1.00 0.00 C ATOM 0 H ALA A 115 -2.003 -4.359 0.153 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.498 -2.722 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.640 -0.850 1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 115 0.456 -2.252 1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.610 -1.918 -0.281 1.00 0.00 H new ATOM 688 N PHE A 116 -3.285 -0.998 1.581 1.00 0.00 N ATOM 689 CA PHE A 116 -4.573 -0.363 1.327 1.00 0.00 C ATOM 690 C PHE A 116 -4.405 1.137 1.106 1.00 0.00 C ATOM 691 O PHE A 116 -3.999 1.868 2.010 1.00 0.00 O ATOM 692 CB PHE A 116 -5.528 -0.614 2.496 1.00 0.00 C ATOM 693 CG PHE A 116 -6.345 -1.865 2.344 1.00 0.00 C ATOM 694 CD1 PHE A 116 -7.568 -1.836 1.694 1.00 0.00 C ATOM 695 CD2 PHE A 116 -5.889 -3.071 2.852 1.00 0.00 C ATOM 696 CE1 PHE A 116 -8.322 -2.986 1.554 1.00 0.00 C ATOM 697 CE2 PHE A 116 -6.638 -4.225 2.715 1.00 0.00 C ATOM 698 CZ PHE A 116 -7.856 -4.182 2.064 1.00 0.00 C ATOM 0 H PHE A 116 -2.650 -0.448 2.159 1.00 0.00 H new ATOM 0 HA PHE A 116 -4.994 -0.801 0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -4.951 -0.676 3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -6.199 0.239 2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -7.937 -0.904 1.292 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -4.937 -3.110 3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -9.275 -2.949 1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -6.272 -5.158 3.116 1.00 0.00 H new ATOM 0 HZ PHE A 116 -8.443 -5.082 1.954 1.00 0.00 H new ATOM 708 N VAL A 117 -4.719 1.590 -0.104 1.00 0.00 N ATOM 709 CA VAL A 117 -4.604 3.003 -0.445 1.00 0.00 C ATOM 710 C VAL A 117 -5.970 3.606 -0.757 1.00 0.00 C ATOM 711 O VAL A 117 -6.736 3.057 -1.549 1.00 0.00 O ATOM 712 CB VAL A 117 -3.674 3.214 -1.655 1.00 0.00 C ATOM 713 CG1 VAL A 117 -3.587 4.690 -2.010 1.00 0.00 C ATOM 714 CG2 VAL A 117 -2.293 2.643 -1.370 1.00 0.00 C ATOM 0 H VAL A 117 -5.055 0.999 -0.864 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.178 3.505 0.424 1.00 0.00 H new ATOM 0 HB VAL A 117 -4.092 2.684 -2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.926 4.820 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.580 5.064 -2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.192 5.246 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.649 2.800 -2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.864 3.144 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -2.375 1.575 -1.169 1.00 0.00 H new ATOM 724 N HIS A 118 -6.267 4.738 -0.128 1.00 0.00 N ATOM 725 CA HIS A 118 -7.541 5.418 -0.339 1.00 0.00 C ATOM 726 C HIS A 118 -7.363 6.641 -1.234 1.00 0.00 C ATOM 727 O HIS A 118 -6.328 7.306 -1.193 1.00 0.00 O ATOM 728 CB HIS A 118 -8.148 5.835 1.001 1.00 0.00 C ATOM 729 CG HIS A 118 -8.275 4.708 1.978 1.00 0.00 C ATOM 730 ND1 HIS A 118 -7.488 3.627 2.191 1.00 0.00 N flip ATOM 731 CD2 HIS A 118 -9.314 4.607 2.880 1.00 0.00 C flip ATOM 732 CE1 HIS A 118 -8.058 2.902 3.208 1.00 0.00 C flip ATOM 733 NE2 HIS A 118 -9.159 3.514 3.606 1.00 0.00 N flip ATOM 0 H HIS A 118 -5.644 5.204 0.532 1.00 0.00 H new ATOM 0 HA HIS A 118 -8.218 4.723 -0.835 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -7.532 6.619 1.441 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -9.134 6.266 0.826 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -10.127 5.311 2.977 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -7.669 1.981 3.616 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -9.783 3.197 4.348 1.00 0.00 H new ATOM 741 N MET A 119 -8.378 6.931 -2.041 1.00 0.00 N ATOM 742 CA MET A 119 -8.333 8.074 -2.945 1.00 0.00 C ATOM 743 C MET A 119 -9.688 8.770 -3.009 1.00 0.00 C ATOM 744 O MET A 119 -10.716 8.178 -2.682 1.00 0.00 O ATOM 745 CB MET A 119 -7.909 7.628 -4.345 1.00 0.00 C ATOM 746 CG MET A 119 -6.439 7.253 -4.445 1.00 0.00 C ATOM 747 SD MET A 119 -6.050 6.368 -5.967 1.00 0.00 S ATOM 748 CE MET A 119 -5.868 7.731 -7.114 1.00 0.00 C ATOM 0 H MET A 119 -9.242 6.390 -2.087 1.00 0.00 H new ATOM 0 HA MET A 119 -7.599 8.782 -2.559 1.00 0.00 H new ATOM 0 HB2 MET A 119 -8.515 6.772 -4.644 1.00 0.00 H new ATOM 0 HB3 MET A 119 -8.120 8.430 -5.052 1.00 0.00 H new ATOM 0 HG2 MET A 119 -5.833 8.157 -4.390 1.00 0.00 H new ATOM 0 HG3 MET A 119 -6.167 6.634 -3.590 1.00 0.00 H new ATOM 0 HE1 MET A 119 -5.591 7.346 -8.095 1.00 0.00 H new ATOM 0 HE2 MET A 119 -6.812 8.271 -7.190 1.00 0.00 H new ATOM 0 HE3 MET A 119 -5.091 8.406 -6.756 1.00 0.00 H new ATOM 758 N GLU A 120 -9.682 10.031 -3.431 1.00 0.00 N ATOM 759 CA GLU A 120 -10.912 10.807 -3.536 1.00 0.00 C ATOM 760 C GLU A 120 -11.493 10.718 -4.944 1.00 0.00 C ATOM 761 O GLU A 120 -12.635 10.300 -5.132 1.00 0.00 O ATOM 762 CB GLU A 120 -10.651 12.270 -3.171 1.00 0.00 C ATOM 763 CG GLU A 120 -11.894 13.014 -2.714 1.00 0.00 C ATOM 764 CD GLU A 120 -11.582 14.116 -1.721 1.00 0.00 C ATOM 765 OE1 GLU A 120 -10.408 14.538 -1.651 1.00 0.00 O ATOM 766 OE2 GLU A 120 -12.512 14.558 -1.013 1.00 0.00 O ATOM 0 H GLU A 120 -8.840 10.536 -3.705 1.00 0.00 H new ATOM 0 HA GLU A 120 -11.636 10.389 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.902 12.310 -2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -10.229 12.782 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -12.396 13.443 -3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -12.590 12.308 -2.261 1.00 0.00 H new ATOM 773 N LYS A 121 -10.697 11.116 -5.932 1.00 0.00 N ATOM 774 CA LYS A 121 -11.130 11.082 -7.324 1.00 0.00 C ATOM 775 C LYS A 121 -11.253 9.644 -7.820 1.00 0.00 C ATOM 776 O LYS A 121 -10.271 8.903 -7.850 1.00 0.00 O ATOM 777 CB LYS A 121 -10.145 11.854 -8.205 1.00 0.00 C ATOM 778 CG LYS A 121 -10.195 13.358 -7.998 1.00 0.00 C ATOM 779 CD LYS A 121 -9.034 14.054 -8.688 1.00 0.00 C ATOM 780 CE LYS A 121 -9.371 15.498 -9.026 1.00 0.00 C ATOM 781 NZ LYS A 121 -8.462 16.051 -10.068 1.00 0.00 N ATOM 0 H LYS A 121 -9.749 11.466 -5.794 1.00 0.00 H new ATOM 0 HA LYS A 121 -12.110 11.555 -7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -9.134 11.501 -8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -10.355 11.632 -9.251 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -11.136 13.748 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -10.172 13.580 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -8.156 14.026 -8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -8.776 13.516 -9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -10.402 15.558 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -9.303 16.107 -8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -8.725 17.037 -10.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -7.480 16.017 -9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -8.545 15.486 -10.937 1.00 0.00 H new ATOM 795 N GLU A 122 -12.464 9.259 -8.210 1.00 0.00 N ATOM 796 CA GLU A 122 -12.713 7.911 -8.706 1.00 0.00 C ATOM 797 C GLU A 122 -11.931 7.650 -9.990 1.00 0.00 C ATOM 798 O GLU A 122 -11.170 6.687 -10.082 1.00 0.00 O ATOM 799 CB GLU A 122 -14.208 7.703 -8.955 1.00 0.00 C ATOM 800 CG GLU A 122 -14.514 6.556 -9.904 1.00 0.00 C ATOM 801 CD GLU A 122 -15.984 6.473 -10.264 1.00 0.00 C ATOM 802 OE1 GLU A 122 -16.825 6.817 -9.407 1.00 0.00 O ATOM 803 OE2 GLU A 122 -16.295 6.065 -11.403 1.00 0.00 O ATOM 0 H GLU A 122 -13.287 9.861 -8.192 1.00 0.00 H new ATOM 0 HA GLU A 122 -12.377 7.205 -7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -14.704 7.517 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -14.631 8.622 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -13.927 6.676 -10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -14.202 5.617 -9.446 1.00 0.00 H new ATOM 810 N ALA A 123 -12.126 8.515 -10.980 1.00 0.00 N ATOM 811 CA ALA A 123 -11.438 8.380 -12.259 1.00 0.00 C ATOM 812 C ALA A 123 -9.942 8.163 -12.058 1.00 0.00 C ATOM 813 O ALA A 123 -9.347 7.275 -12.667 1.00 0.00 O ATOM 814 CB ALA A 123 -11.684 9.608 -13.122 1.00 0.00 C ATOM 0 H ALA A 123 -12.754 9.316 -10.921 1.00 0.00 H new ATOM 0 HA ALA A 123 -11.840 7.504 -12.769 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -11.165 9.494 -14.074 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -12.753 9.717 -13.303 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -11.310 10.494 -12.609 1.00 0.00 H new ATOM 820 N ASP A 124 -9.341 8.980 -11.200 1.00 0.00 N ATOM 821 CA ASP A 124 -7.914 8.877 -10.919 1.00 0.00 C ATOM 822 C ASP A 124 -7.589 7.552 -10.236 1.00 0.00 C ATOM 823 O ASP A 124 -6.508 6.994 -10.424 1.00 0.00 O ATOM 824 CB ASP A 124 -7.460 10.043 -10.039 1.00 0.00 C ATOM 825 CG ASP A 124 -7.910 11.386 -10.580 1.00 0.00 C ATOM 826 OD1 ASP A 124 -9.069 11.485 -11.035 1.00 0.00 O ATOM 827 OD2 ASP A 124 -7.103 12.338 -10.549 1.00 0.00 O ATOM 0 H ASP A 124 -9.820 9.721 -10.687 1.00 0.00 H new ATOM 0 HA ASP A 124 -7.378 8.918 -11.867 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -7.855 9.909 -9.032 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -6.373 10.032 -9.959 1.00 0.00 H new ATOM 832 N ALA A 125 -8.531 7.055 -9.442 1.00 0.00 N ATOM 833 CA ALA A 125 -8.346 5.795 -8.732 1.00 0.00 C ATOM 834 C ALA A 125 -8.106 4.646 -9.706 1.00 0.00 C ATOM 835 O ALA A 125 -7.066 3.989 -9.663 1.00 0.00 O ATOM 836 CB ALA A 125 -9.553 5.501 -7.854 1.00 0.00 C ATOM 0 H ALA A 125 -9.431 7.506 -9.274 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.464 5.890 -8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -9.401 4.557 -7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -9.678 6.303 -7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -10.446 5.431 -8.475 1.00 0.00 H new ATOM 842 N LYS A 126 -9.075 4.408 -10.583 1.00 0.00 N ATOM 843 CA LYS A 126 -8.970 3.339 -11.569 1.00 0.00 C ATOM 844 C LYS A 126 -7.749 3.539 -12.461 1.00 0.00 C ATOM 845 O LYS A 126 -6.908 2.650 -12.586 1.00 0.00 O ATOM 846 CB LYS A 126 -10.237 3.281 -12.426 1.00 0.00 C ATOM 847 CG LYS A 126 -11.394 2.564 -11.753 1.00 0.00 C ATOM 848 CD LYS A 126 -12.175 3.496 -10.842 1.00 0.00 C ATOM 849 CE LYS A 126 -13.611 3.027 -10.663 1.00 0.00 C ATOM 850 NZ LYS A 126 -14.426 3.257 -11.887 1.00 0.00 N ATOM 0 H LYS A 126 -9.943 4.942 -10.631 1.00 0.00 H new ATOM 0 HA LYS A 126 -8.857 2.396 -11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -10.545 4.297 -12.674 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -10.007 2.779 -13.366 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -12.060 2.154 -12.512 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -11.014 1.722 -11.174 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -11.685 3.551 -9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -12.169 4.503 -11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -13.618 1.965 -10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -14.063 3.553 -9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -15.436 3.201 -11.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -14.214 4.199 -12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -14.198 2.532 -12.597 1.00 0.00 H new ATOM 864 N ALA A 127 -7.658 4.713 -13.077 1.00 0.00 N ATOM 865 CA ALA A 127 -6.538 5.030 -13.955 1.00 0.00 C ATOM 866 C ALA A 127 -5.214 4.609 -13.327 1.00 0.00 C ATOM 867 O ALA A 127 -4.335 4.079 -14.007 1.00 0.00 O ATOM 868 CB ALA A 127 -6.524 6.517 -14.275 1.00 0.00 C ATOM 0 H ALA A 127 -8.346 5.460 -12.984 1.00 0.00 H new ATOM 0 HA ALA A 127 -6.664 4.471 -14.882 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -5.683 6.740 -14.931 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -7.455 6.791 -14.772 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -6.425 7.087 -13.351 1.00 0.00 H new ATOM 874 N ALA A 128 -5.076 4.851 -12.028 1.00 0.00 N ATOM 875 CA ALA A 128 -3.859 4.496 -11.309 1.00 0.00 C ATOM 876 C ALA A 128 -3.670 2.983 -11.264 1.00 0.00 C ATOM 877 O ALA A 128 -2.587 2.475 -11.557 1.00 0.00 O ATOM 878 CB ALA A 128 -3.892 5.068 -9.900 1.00 0.00 C ATOM 0 H ALA A 128 -5.793 5.292 -11.452 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.012 4.926 -11.844 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.977 4.795 -9.375 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.971 6.154 -9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.752 4.666 -9.364 1.00 0.00 H new ATOM 884 N ILE A 129 -4.728 2.270 -10.894 1.00 0.00 N ATOM 885 CA ILE A 129 -4.678 0.816 -10.811 1.00 0.00 C ATOM 886 C ILE A 129 -4.210 0.206 -12.128 1.00 0.00 C ATOM 887 O ILE A 129 -3.605 -0.866 -12.147 1.00 0.00 O ATOM 888 CB ILE A 129 -6.052 0.225 -10.444 1.00 0.00 C ATOM 889 CG1 ILE A 129 -6.542 0.804 -9.115 1.00 0.00 C ATOM 890 CG2 ILE A 129 -5.973 -1.293 -10.369 1.00 0.00 C ATOM 891 CD1 ILE A 129 -7.881 0.256 -8.674 1.00 0.00 C ATOM 0 H ILE A 129 -5.631 2.676 -10.647 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.964 0.569 -10.025 1.00 0.00 H new ATOM 0 HB ILE A 129 -6.766 0.494 -11.222 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.801 0.597 -8.343 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -6.614 1.888 -9.205 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -6.952 -1.696 -10.109 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -5.663 -1.689 -11.336 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -5.248 -1.582 -9.609 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -8.165 0.711 -7.725 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -8.634 0.487 -9.427 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -7.809 -0.825 -8.552 1.00 0.00 H new ATOM 903 N ALA A 130 -4.493 0.897 -13.227 1.00 0.00 N ATOM 904 CA ALA A 130 -4.097 0.426 -14.549 1.00 0.00 C ATOM 905 C ALA A 130 -2.612 0.666 -14.796 1.00 0.00 C ATOM 906 O ALA A 130 -1.901 -0.221 -15.267 1.00 0.00 O ATOM 907 CB ALA A 130 -4.931 1.108 -15.623 1.00 0.00 C ATOM 0 H ALA A 130 -4.995 1.785 -13.228 1.00 0.00 H new ATOM 0 HA ALA A 130 -4.276 -0.648 -14.594 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -4.625 0.747 -16.605 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -5.985 0.880 -15.465 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -4.781 2.186 -15.570 1.00 0.00 H new ATOM 913 N GLN A 131 -2.151 1.870 -14.475 1.00 0.00 N ATOM 914 CA GLN A 131 -0.750 2.226 -14.664 1.00 0.00 C ATOM 915 C GLN A 131 0.095 1.758 -13.484 1.00 0.00 C ATOM 916 O GLN A 131 1.317 1.914 -13.481 1.00 0.00 O ATOM 917 CB GLN A 131 -0.605 3.739 -14.841 1.00 0.00 C ATOM 918 CG GLN A 131 -1.066 4.239 -16.200 1.00 0.00 C ATOM 919 CD GLN A 131 -0.378 3.527 -17.348 1.00 0.00 C ATOM 920 OE1 GLN A 131 0.829 3.671 -17.550 1.00 0.00 O ATOM 921 NE2 GLN A 131 -1.143 2.752 -18.108 1.00 0.00 N ATOM 0 H GLN A 131 -2.727 2.615 -14.083 1.00 0.00 H new ATOM 0 HA GLN A 131 -0.393 1.726 -15.564 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -1.178 4.244 -14.064 1.00 0.00 H new ATOM 0 HB3 GLN A 131 0.440 4.015 -14.697 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -2.144 4.102 -16.287 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -0.873 5.309 -16.274 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -2.138 2.661 -17.905 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -0.735 2.247 -18.895 1.00 0.00 H new ATOM 930 N LEU A 132 -0.562 1.183 -12.483 1.00 0.00 N ATOM 931 CA LEU A 132 0.128 0.691 -11.296 1.00 0.00 C ATOM 932 C LEU A 132 0.110 -0.834 -11.248 1.00 0.00 C ATOM 933 O LEU A 132 1.143 -1.470 -11.046 1.00 0.00 O ATOM 934 CB LEU A 132 -0.519 1.260 -10.033 1.00 0.00 C ATOM 935 CG LEU A 132 -0.235 2.733 -9.738 1.00 0.00 C ATOM 936 CD1 LEU A 132 -0.945 3.170 -8.466 1.00 0.00 C ATOM 937 CD2 LEU A 132 1.263 2.975 -9.625 1.00 0.00 C ATOM 0 H LEU A 132 -1.573 1.046 -12.470 1.00 0.00 H new ATOM 0 HA LEU A 132 1.165 1.022 -11.346 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -1.598 1.127 -10.111 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -0.186 0.669 -9.180 1.00 0.00 H new ATOM 0 HG LEU A 132 -0.618 3.330 -10.566 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -0.731 4.221 -8.273 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -2.020 3.035 -8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -0.594 2.568 -7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 132 1.447 4.029 -9.415 1.00 0.00 H new ATOM 0 HD22 LEU A 132 1.670 2.368 -8.816 1.00 0.00 H new ATOM 0 HD23 LEU A 132 1.747 2.702 -10.563 1.00 0.00 H new ATOM 949 N ASN A 133 -1.071 -1.413 -11.439 1.00 0.00 N ATOM 950 CA ASN A 133 -1.223 -2.863 -11.419 1.00 0.00 C ATOM 951 C ASN A 133 -0.147 -3.535 -12.266 1.00 0.00 C ATOM 952 O ASN A 133 -0.246 -3.582 -13.491 1.00 0.00 O ATOM 953 CB ASN A 133 -2.610 -3.258 -11.930 1.00 0.00 C ATOM 954 CG ASN A 133 -2.754 -4.757 -12.111 1.00 0.00 C ATOM 955 OD1 ASN A 133 -2.495 -5.532 -11.190 1.00 0.00 O ATOM 956 ND2 ASN A 133 -3.170 -5.171 -13.302 1.00 0.00 N ATOM 0 H ASN A 133 -1.936 -0.900 -11.609 1.00 0.00 H new ATOM 0 HA ASN A 133 -1.112 -3.201 -10.388 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -3.367 -2.905 -11.229 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -2.799 -2.760 -12.881 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -3.287 -6.168 -13.483 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -3.373 -4.492 -14.036 1.00 0.00 H new ATOM 963 N GLY A 134 0.883 -4.054 -11.603 1.00 0.00 N ATOM 964 CA GLY A 134 1.963 -4.716 -12.310 1.00 0.00 C ATOM 965 C GLY A 134 3.255 -3.926 -12.267 1.00 0.00 C ATOM 966 O GLY A 134 4.344 -4.501 -12.250 1.00 0.00 O ATOM 0 H GLY A 134 0.988 -4.027 -10.589 1.00 0.00 H new ATOM 0 HA2 GLY A 134 2.129 -5.701 -11.874 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.671 -4.872 -13.348 1.00 0.00 H new ATOM 970 N LYS A 135 3.137 -2.602 -12.250 1.00 0.00 N ATOM 971 CA LYS A 135 4.305 -1.730 -12.209 1.00 0.00 C ATOM 972 C LYS A 135 5.375 -2.297 -11.282 1.00 0.00 C ATOM 973 O LYS A 135 5.119 -2.550 -10.105 1.00 0.00 O ATOM 974 CB LYS A 135 3.903 -0.328 -11.744 1.00 0.00 C ATOM 975 CG LYS A 135 5.087 0.579 -11.456 1.00 0.00 C ATOM 976 CD LYS A 135 4.750 2.037 -11.721 1.00 0.00 C ATOM 977 CE LYS A 135 6.006 2.876 -11.901 1.00 0.00 C ATOM 978 NZ LYS A 135 6.978 2.662 -10.794 1.00 0.00 N ATOM 0 H LYS A 135 2.244 -2.110 -12.264 1.00 0.00 H new ATOM 0 HA LYS A 135 4.718 -1.668 -13.216 1.00 0.00 H new ATOM 0 HB2 LYS A 135 3.279 0.135 -12.509 1.00 0.00 H new ATOM 0 HB3 LYS A 135 3.294 -0.413 -10.844 1.00 0.00 H new ATOM 0 HG2 LYS A 135 5.394 0.459 -10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 135 5.933 0.282 -12.075 1.00 0.00 H new ATOM 0 HD2 LYS A 135 4.130 2.112 -12.615 1.00 0.00 H new ATOM 0 HD3 LYS A 135 4.163 2.432 -10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 135 6.477 2.626 -12.852 1.00 0.00 H new ATOM 0 HE3 LYS A 135 5.735 3.931 -11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 7.720 3.389 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 6.484 2.727 -9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 7.409 1.720 -10.888 1.00 0.00 H new ATOM 992 N GLU A 136 6.575 -2.492 -11.821 1.00 0.00 N ATOM 993 CA GLU A 136 7.684 -3.029 -11.040 1.00 0.00 C ATOM 994 C GLU A 136 8.153 -2.020 -9.996 1.00 0.00 C ATOM 995 O GLU A 136 8.578 -0.914 -10.332 1.00 0.00 O ATOM 996 CB GLU A 136 8.847 -3.407 -11.959 1.00 0.00 C ATOM 997 CG GLU A 136 9.943 -4.195 -11.261 1.00 0.00 C ATOM 998 CD GLU A 136 10.867 -4.899 -12.236 1.00 0.00 C ATOM 999 OE1 GLU A 136 11.874 -4.286 -12.646 1.00 0.00 O ATOM 1000 OE2 GLU A 136 10.582 -6.062 -12.589 1.00 0.00 O ATOM 0 H GLU A 136 6.804 -2.287 -12.794 1.00 0.00 H new ATOM 0 HA GLU A 136 7.333 -3.923 -10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.464 -3.995 -12.793 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.277 -2.498 -12.380 1.00 0.00 H new ATOM 0 HG2 GLU A 136 10.527 -3.521 -10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 136 9.490 -4.933 -10.599 1.00 0.00 H new ATOM 1007 N VAL A 137 8.072 -2.408 -8.728 1.00 0.00 N ATOM 1008 CA VAL A 137 8.489 -1.539 -7.634 1.00 0.00 C ATOM 1009 C VAL A 137 9.269 -2.317 -6.580 1.00 0.00 C ATOM 1010 O VAL A 137 8.853 -3.393 -6.152 1.00 0.00 O ATOM 1011 CB VAL A 137 7.279 -0.861 -6.964 1.00 0.00 C ATOM 1012 CG1 VAL A 137 7.730 0.007 -5.799 1.00 0.00 C ATOM 1013 CG2 VAL A 137 6.498 -0.041 -7.980 1.00 0.00 C ATOM 0 H VAL A 137 7.721 -3.319 -8.432 1.00 0.00 H new ATOM 0 HA VAL A 137 9.133 -0.773 -8.066 1.00 0.00 H new ATOM 0 HB VAL A 137 6.620 -1.637 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.861 0.478 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 137 8.242 -0.611 -5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 137 8.411 0.777 -6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.647 0.431 -7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 137 7.145 0.728 -8.402 1.00 0.00 H new ATOM 0 HG23 VAL A 137 6.142 -0.693 -8.777 1.00 0.00 H new ATOM 1023 N LYS A 138 10.404 -1.764 -6.166 1.00 0.00 N ATOM 1024 CA LYS A 138 11.244 -2.404 -5.160 1.00 0.00 C ATOM 1025 C LYS A 138 11.749 -3.756 -5.654 1.00 0.00 C ATOM 1026 O LYS A 138 12.041 -4.649 -4.858 1.00 0.00 O ATOM 1027 CB LYS A 138 10.466 -2.584 -3.855 1.00 0.00 C ATOM 1028 CG LYS A 138 10.313 -1.301 -3.056 1.00 0.00 C ATOM 1029 CD LYS A 138 11.538 -1.030 -2.198 1.00 0.00 C ATOM 1030 CE LYS A 138 12.695 -0.498 -3.030 1.00 0.00 C ATOM 1031 NZ LYS A 138 13.586 0.392 -2.236 1.00 0.00 N ATOM 0 H LYS A 138 10.763 -0.874 -6.511 1.00 0.00 H new ATOM 0 HA LYS A 138 12.104 -1.759 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 138 9.477 -2.980 -4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 138 10.973 -3.327 -3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 138 10.152 -0.465 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 138 9.430 -1.370 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 138 11.286 -0.309 -1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 138 11.842 -1.948 -1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 138 13.274 -1.334 -3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 138 12.304 0.051 -3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 14.362 0.734 -2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 13.040 1.203 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 13.980 -0.138 -1.433 1.00 0.00 H new ATOM 1045 N GLY A 139 11.851 -3.900 -6.971 1.00 0.00 N ATOM 1046 CA GLY A 139 12.323 -5.146 -7.548 1.00 0.00 C ATOM 1047 C GLY A 139 11.206 -6.152 -7.747 1.00 0.00 C ATOM 1048 O GLY A 139 11.331 -7.079 -8.548 1.00 0.00 O ATOM 0 H GLY A 139 11.615 -3.176 -7.650 1.00 0.00 H new ATOM 0 HA2 GLY A 139 12.799 -4.942 -8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 139 13.085 -5.578 -6.899 1.00 0.00 H new ATOM 1052 N LYS A 140 10.111 -5.970 -7.017 1.00 0.00 N ATOM 1053 CA LYS A 140 8.967 -6.869 -7.116 1.00 0.00 C ATOM 1054 C LYS A 140 7.780 -6.168 -7.768 1.00 0.00 C ATOM 1055 O LYS A 140 7.526 -4.990 -7.513 1.00 0.00 O ATOM 1056 CB LYS A 140 8.572 -7.380 -5.729 1.00 0.00 C ATOM 1057 CG LYS A 140 9.668 -8.172 -5.037 1.00 0.00 C ATOM 1058 CD LYS A 140 9.103 -9.086 -3.963 1.00 0.00 C ATOM 1059 CE LYS A 140 10.165 -10.030 -3.419 1.00 0.00 C ATOM 1060 NZ LYS A 140 9.796 -10.566 -2.080 1.00 0.00 N ATOM 0 H LYS A 140 9.991 -5.208 -6.350 1.00 0.00 H new ATOM 0 HA LYS A 140 9.255 -7.715 -7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 140 8.298 -6.531 -5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 140 7.685 -8.007 -5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 140 10.209 -8.766 -5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 140 10.387 -7.486 -4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 140 8.697 -8.485 -3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 140 8.276 -9.665 -4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 140 10.307 -10.857 -4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 140 11.117 -9.504 -3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 10.545 -11.205 -1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 9.685 -9.779 -1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 8.900 -11.089 -2.150 1.00 0.00 H new ATOM 1074 N ARG A 141 7.056 -6.899 -8.609 1.00 0.00 N ATOM 1075 CA ARG A 141 5.895 -6.347 -9.297 1.00 0.00 C ATOM 1076 C ARG A 141 4.679 -6.321 -8.376 1.00 0.00 C ATOM 1077 O ARG A 141 4.105 -7.363 -8.059 1.00 0.00 O ATOM 1078 CB ARG A 141 5.581 -7.166 -10.550 1.00 0.00 C ATOM 1079 CG ARG A 141 6.384 -6.744 -11.770 1.00 0.00 C ATOM 1080 CD ARG A 141 5.866 -7.410 -13.035 1.00 0.00 C ATOM 1081 NE ARG A 141 6.508 -8.700 -13.277 1.00 0.00 N ATOM 1082 CZ ARG A 141 7.786 -8.833 -13.611 1.00 0.00 C ATOM 1083 NH1 ARG A 141 8.556 -7.762 -13.742 1.00 0.00 N ATOM 1084 NH2 ARG A 141 8.298 -10.041 -13.815 1.00 0.00 N ATOM 0 H ARG A 141 7.253 -7.875 -8.830 1.00 0.00 H new ATOM 0 HA ARG A 141 6.130 -5.324 -9.589 1.00 0.00 H new ATOM 0 HB2 ARG A 141 5.775 -8.219 -10.344 1.00 0.00 H new ATOM 0 HB3 ARG A 141 4.518 -7.076 -10.776 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.336 -5.661 -11.882 1.00 0.00 H new ATOM 0 HG3 ARG A 141 7.433 -7.003 -11.624 1.00 0.00 H new ATOM 0 HD2 ARG A 141 4.788 -7.551 -12.955 1.00 0.00 H new ATOM 0 HD3 ARG A 141 6.039 -6.753 -13.887 1.00 0.00 H new ATOM 0 HE ARG A 141 5.943 -9.544 -13.184 1.00 0.00 H new ATOM 0 HH11 ARG A 141 8.167 -6.832 -13.586 1.00 0.00 H new ATOM 0 HH12 ARG A 141 9.537 -7.868 -13.999 1.00 0.00 H new ATOM 0 HH21 ARG A 141 7.709 -10.868 -13.715 1.00 0.00 H new ATOM 0 HH22 ARG A 141 9.280 -10.142 -14.072 1.00 0.00 H new ATOM 1098 N ILE A 142 4.292 -5.123 -7.949 1.00 0.00 N ATOM 1099 CA ILE A 142 3.144 -4.962 -7.066 1.00 0.00 C ATOM 1100 C ILE A 142 1.837 -5.220 -7.809 1.00 0.00 C ATOM 1101 O ILE A 142 1.694 -4.859 -8.976 1.00 0.00 O ATOM 1102 CB ILE A 142 3.101 -3.551 -6.450 1.00 0.00 C ATOM 1103 CG1 ILE A 142 2.963 -2.495 -7.549 1.00 0.00 C ATOM 1104 CG2 ILE A 142 4.350 -3.298 -5.619 1.00 0.00 C ATOM 1105 CD1 ILE A 142 2.604 -1.122 -7.026 1.00 0.00 C ATOM 0 H ILE A 142 4.757 -4.251 -8.200 1.00 0.00 H new ATOM 0 HA ILE A 142 3.256 -5.695 -6.267 1.00 0.00 H new ATOM 0 HB ILE A 142 2.232 -3.483 -5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 142 3.901 -2.431 -8.100 1.00 0.00 H new ATOM 0 HG13 ILE A 142 2.199 -2.817 -8.257 1.00 0.00 H new ATOM 0 HG21 ILE A 142 4.305 -2.297 -5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 142 4.409 -4.034 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 142 5.232 -3.382 -6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 142 2.523 -0.425 -7.860 1.00 0.00 H new ATOM 0 HD12 ILE A 142 1.651 -1.171 -6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 142 3.379 -0.779 -6.341 1.00 0.00 H new ATOM 1117 N ASN A 143 0.886 -5.845 -7.122 1.00 0.00 N ATOM 1118 CA ASN A 143 -0.410 -6.150 -7.717 1.00 0.00 C ATOM 1119 C ASN A 143 -1.498 -5.250 -7.140 1.00 0.00 C ATOM 1120 O ASN A 143 -1.941 -5.440 -6.008 1.00 0.00 O ATOM 1121 CB ASN A 143 -0.770 -7.618 -7.481 1.00 0.00 C ATOM 1122 CG ASN A 143 -1.761 -8.142 -8.503 1.00 0.00 C ATOM 1123 OD1 ASN A 143 -1.398 -8.438 -9.641 1.00 0.00 O ATOM 1124 ND2 ASN A 143 -3.020 -8.258 -8.099 1.00 0.00 N ATOM 0 H ASN A 143 0.988 -6.150 -6.154 1.00 0.00 H new ATOM 0 HA ASN A 143 -0.342 -5.967 -8.789 1.00 0.00 H new ATOM 0 HB2 ASN A 143 0.137 -8.222 -7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -1.190 -7.730 -6.481 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -3.732 -8.605 -8.742 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -3.275 -8.001 -7.146 1.00 0.00 H new ATOM 1131 N VAL A 144 -1.926 -4.268 -7.929 1.00 0.00 N ATOM 1132 CA VAL A 144 -2.964 -3.339 -7.498 1.00 0.00 C ATOM 1133 C VAL A 144 -4.319 -3.719 -8.084 1.00 0.00 C ATOM 1134 O VAL A 144 -4.408 -4.177 -9.222 1.00 0.00 O ATOM 1135 CB VAL A 144 -2.628 -1.893 -7.908 1.00 0.00 C ATOM 1136 CG1 VAL A 144 -3.740 -0.946 -7.486 1.00 0.00 C ATOM 1137 CG2 VAL A 144 -1.297 -1.466 -7.308 1.00 0.00 C ATOM 0 H VAL A 144 -1.570 -4.096 -8.869 1.00 0.00 H new ATOM 0 HA VAL A 144 -3.011 -3.399 -6.411 1.00 0.00 H new ATOM 0 HB VAL A 144 -2.542 -1.852 -8.994 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -3.485 0.071 -7.784 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.672 -1.242 -7.967 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -3.862 -0.987 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -1.075 -0.442 -7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -1.353 -1.522 -6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -0.508 -2.128 -7.665 1.00 0.00 H new ATOM 1147 N GLU A 145 -5.373 -3.526 -7.297 1.00 0.00 N ATOM 1148 CA GLU A 145 -6.725 -3.849 -7.738 1.00 0.00 C ATOM 1149 C GLU A 145 -7.764 -3.161 -6.857 1.00 0.00 C ATOM 1150 O GLU A 145 -7.595 -3.060 -5.641 1.00 0.00 O ATOM 1151 CB GLU A 145 -6.944 -5.363 -7.716 1.00 0.00 C ATOM 1152 CG GLU A 145 -7.080 -5.938 -6.316 1.00 0.00 C ATOM 1153 CD GLU A 145 -7.017 -7.453 -6.300 1.00 0.00 C ATOM 1154 OE1 GLU A 145 -7.756 -8.087 -7.082 1.00 0.00 O ATOM 1155 OE2 GLU A 145 -6.229 -8.005 -5.504 1.00 0.00 O ATOM 0 H GLU A 145 -5.317 -3.148 -6.351 1.00 0.00 H new ATOM 0 HA GLU A 145 -6.843 -3.487 -8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -7.842 -5.600 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -6.109 -5.850 -8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -6.287 -5.538 -5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -8.026 -5.613 -5.884 1.00 0.00 H new ATOM 1162 N LEU A 146 -8.838 -2.688 -7.479 1.00 0.00 N ATOM 1163 CA LEU A 146 -9.906 -2.009 -6.753 1.00 0.00 C ATOM 1164 C LEU A 146 -10.473 -2.904 -5.656 1.00 0.00 C ATOM 1165 O LEU A 146 -10.861 -4.044 -5.910 1.00 0.00 O ATOM 1166 CB LEU A 146 -11.020 -1.593 -7.716 1.00 0.00 C ATOM 1167 CG LEU A 146 -12.075 -0.642 -7.151 1.00 0.00 C ATOM 1168 CD1 LEU A 146 -11.450 0.697 -6.793 1.00 0.00 C ATOM 1169 CD2 LEU A 146 -13.211 -0.454 -8.146 1.00 0.00 C ATOM 0 H LEU A 146 -8.993 -2.762 -8.484 1.00 0.00 H new ATOM 0 HA LEU A 146 -9.486 -1.118 -6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -10.563 -1.121 -8.586 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -11.523 -2.493 -8.069 1.00 0.00 H new ATOM 0 HG LEU A 146 -12.484 -1.083 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -12.216 1.361 -6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -10.672 0.547 -6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -11.013 1.145 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -13.953 0.226 -7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -12.818 -0.036 -9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -13.677 -1.417 -8.352 1.00 0.00 H new ATOM 1181 N SER A 147 -10.521 -2.378 -4.436 1.00 0.00 N ATOM 1182 CA SER A 147 -11.040 -3.129 -3.300 1.00 0.00 C ATOM 1183 C SER A 147 -12.565 -3.176 -3.330 1.00 0.00 C ATOM 1184 O SER A 147 -13.235 -2.276 -2.822 1.00 0.00 O ATOM 1185 CB SER A 147 -10.563 -2.504 -1.987 1.00 0.00 C ATOM 1186 OG SER A 147 -11.029 -3.243 -0.872 1.00 0.00 O ATOM 0 H SER A 147 -10.207 -1.434 -4.210 1.00 0.00 H new ATOM 0 HA SER A 147 -10.661 -4.149 -3.367 1.00 0.00 H new ATOM 0 HB2 SER A 147 -9.474 -2.467 -1.973 1.00 0.00 H new ATOM 0 HB3 SER A 147 -10.918 -1.476 -1.920 1.00 0.00 H new ATOM 0 HG SER A 147 -10.996 -2.681 -0.070 1.00 0.00 H new