USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 383 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 117 THR OG1 : rot 180:sc= -0.761 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.66 X(o=-2.4,f=-2.8!) USER MOD Single : A 72 SER OG : rot 33:sc= 0.141 USER MOD Single : A 74 LYS NZ :NH3+ -150:sc= 2.37 (180deg=-0.226) USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= 1.21 (180deg=1.04) USER MOD Single : A 79 CYS SG : rot -14:sc= 0.124 USER MOD Single : A 80 MET CE :methyl -162:sc= -0.0938 (180deg=-0.492) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0913 X(o=-0.091,f=-0.033) USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0958 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.19 K(o=1.2,f=-0.087) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.044 USER MOD Single : A 111 TYR OH : rot -126:sc= 0.0526 USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 123 LYS NZ :NH3+ -150:sc= 0.75 (180deg=0.301) USER MOD ----------------------------------------------------------------- ATOM 100 N SER A 72 9.660 6.890 -1.694 1.00 0.00 N ATOM 101 CA SER A 72 9.898 7.078 -0.292 1.00 0.00 C ATOM 102 C SER A 72 8.578 7.051 0.469 1.00 0.00 C ATOM 103 O SER A 72 7.779 7.983 0.390 1.00 0.00 O ATOM 104 CB SER A 72 10.624 8.397 -0.059 1.00 0.00 C ATOM 105 OG SER A 72 11.825 8.458 -0.826 1.00 0.00 O ATOM 0 HA SER A 72 10.527 6.267 0.076 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.973 9.228 -0.329 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.858 8.506 1.000 1.00 0.00 H new ATOM 0 HG SER A 72 11.700 7.975 -1.669 1.00 0.00 H new ATOM 111 N TRP A 73 8.338 5.967 1.142 1.00 0.00 N ATOM 112 CA TRP A 73 7.160 5.803 1.946 1.00 0.00 C ATOM 113 C TRP A 73 7.526 5.739 3.392 1.00 0.00 C ATOM 114 O TRP A 73 8.633 5.312 3.738 1.00 0.00 O ATOM 115 CB TRP A 73 6.400 4.540 1.571 1.00 0.00 C ATOM 116 CG TRP A 73 5.731 4.611 0.252 1.00 0.00 C ATOM 117 CD1 TRP A 73 6.065 3.933 -0.881 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.610 5.432 -0.077 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.201 4.260 -1.888 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.305 5.188 -1.423 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.826 6.354 0.646 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.260 5.822 -2.071 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.793 6.979 -0.005 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.523 6.711 -1.349 1.00 0.00 C ATOM 0 H TRP A 73 8.961 5.160 1.150 1.00 0.00 H new ATOM 0 HA TRP A 73 6.518 6.664 1.762 1.00 0.00 H new ATOM 0 HB2 TRP A 73 7.092 3.698 1.571 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.651 4.338 2.337 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.889 3.241 -0.970 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.220 3.876 -2.833 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.033 6.563 1.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.037 5.620 -3.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.179 7.689 0.530 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.704 7.225 -1.831 1.00 0.00 H new ATOM 135 N LYS A 74 6.627 6.164 4.233 1.00 0.00 N ATOM 136 CA LYS A 74 6.827 6.077 5.639 1.00 0.00 C ATOM 137 C LYS A 74 5.583 5.525 6.317 1.00 0.00 C ATOM 138 O LYS A 74 4.472 5.606 5.773 1.00 0.00 O ATOM 139 CB LYS A 74 7.204 7.422 6.226 1.00 0.00 C ATOM 140 CG LYS A 74 6.172 8.494 5.997 1.00 0.00 C ATOM 141 CD LYS A 74 6.505 9.760 6.741 1.00 0.00 C ATOM 142 CE LYS A 74 6.398 9.575 8.246 1.00 0.00 C ATOM 143 NZ LYS A 74 5.046 9.131 8.651 1.00 0.00 N ATOM 0 H LYS A 74 5.737 6.579 3.957 1.00 0.00 H new ATOM 0 HA LYS A 74 7.656 5.393 5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.365 7.308 7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.151 7.744 5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.100 8.707 4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.195 8.132 6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.516 10.077 6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.831 10.556 6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.135 8.842 8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.637 10.514 8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.836 9.485 9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.343 9.503 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.007 8.092 8.651 1.00 0.00 H new ATOM 157 N VAL A 75 5.788 4.935 7.470 1.00 0.00 N ATOM 158 CA VAL A 75 4.724 4.367 8.283 1.00 0.00 C ATOM 159 C VAL A 75 3.763 5.471 8.742 1.00 0.00 C ATOM 160 O VAL A 75 4.200 6.594 9.029 1.00 0.00 O ATOM 161 CB VAL A 75 5.318 3.614 9.516 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.228 3.045 10.418 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.256 2.501 9.065 1.00 0.00 C ATOM 0 H VAL A 75 6.715 4.831 7.883 1.00 0.00 H new ATOM 0 HA VAL A 75 4.170 3.649 7.678 1.00 0.00 H new ATOM 0 HB VAL A 75 5.882 4.344 10.096 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.686 2.530 11.262 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.600 3.856 10.786 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.618 2.341 9.852 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.659 1.989 9.939 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.706 1.790 8.449 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.074 2.928 8.485 1.00 0.00 H new ATOM 173 N GLY A 76 2.478 5.165 8.762 1.00 0.00 N ATOM 174 CA GLY A 76 1.486 6.111 9.218 1.00 0.00 C ATOM 175 C GLY A 76 1.130 7.120 8.169 1.00 0.00 C ATOM 176 O GLY A 76 0.743 8.255 8.486 1.00 0.00 O ATOM 0 H GLY A 76 2.100 4.265 8.466 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.587 5.573 9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.860 6.627 10.102 1.00 0.00 H new ATOM 180 N ASP A 77 1.264 6.728 6.925 1.00 0.00 N ATOM 181 CA ASP A 77 0.935 7.598 5.813 1.00 0.00 C ATOM 182 C ASP A 77 -0.056 6.972 4.897 1.00 0.00 C ATOM 183 O ASP A 77 -0.157 5.739 4.814 1.00 0.00 O ATOM 184 CB ASP A 77 2.177 8.062 5.041 1.00 0.00 C ATOM 185 CG ASP A 77 2.719 9.375 5.587 1.00 0.00 C ATOM 186 OD1 ASP A 77 3.247 9.411 6.713 1.00 0.00 O ATOM 187 OD2 ASP A 77 2.565 10.426 4.911 1.00 0.00 O ATOM 0 H ASP A 77 1.601 5.805 6.652 1.00 0.00 H new ATOM 0 HA ASP A 77 0.477 8.486 6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.950 7.296 5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.927 8.181 3.987 1.00 0.00 H new ATOM 192 N LYS A 78 -0.792 7.813 4.218 1.00 0.00 N ATOM 193 CA LYS A 78 -1.771 7.405 3.285 1.00 0.00 C ATOM 194 C LYS A 78 -1.190 7.290 1.934 1.00 0.00 C ATOM 195 O LYS A 78 -0.346 8.085 1.516 1.00 0.00 O ATOM 196 CB LYS A 78 -2.922 8.386 3.265 1.00 0.00 C ATOM 197 CG LYS A 78 -3.857 8.252 4.432 1.00 0.00 C ATOM 198 CD LYS A 78 -4.659 6.972 4.312 1.00 0.00 C ATOM 199 CE LYS A 78 -5.649 6.799 5.435 1.00 0.00 C ATOM 200 NZ LYS A 78 -6.685 7.856 5.460 1.00 0.00 N ATOM 0 H LYS A 78 -0.713 8.826 4.312 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.142 6.427 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.522 9.400 3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.486 8.250 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.291 8.250 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.529 9.109 4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.191 6.969 3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.978 6.121 4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.132 5.827 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.116 6.798 6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.454 7.573 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.265 8.746 5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.065 7.992 4.502 1.00 0.00 H new ATOM 214 N CYS A 79 -1.631 6.304 1.276 1.00 0.00 N ATOM 215 CA CYS A 79 -1.221 5.999 -0.028 1.00 0.00 C ATOM 216 C CYS A 79 -2.388 5.379 -0.723 1.00 0.00 C ATOM 217 O CYS A 79 -3.442 5.167 -0.107 1.00 0.00 O ATOM 218 CB CYS A 79 -0.058 5.016 0.032 1.00 0.00 C ATOM 219 SG CYS A 79 -0.400 3.540 1.019 1.00 0.00 S ATOM 0 H CYS A 79 -2.323 5.653 1.648 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.892 6.890 -0.562 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.201 4.712 -0.982 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.814 5.524 0.445 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.469 3.734 1.733 1.00 0.00 H new ATOM 225 N MET A 80 -2.240 5.116 -1.958 1.00 0.00 N ATOM 226 CA MET A 80 -3.241 4.438 -2.688 1.00 0.00 C ATOM 227 C MET A 80 -2.652 3.116 -3.018 1.00 0.00 C ATOM 228 O MET A 80 -1.537 3.043 -3.521 1.00 0.00 O ATOM 229 CB MET A 80 -3.580 5.210 -3.957 1.00 0.00 C ATOM 230 CG MET A 80 -3.949 6.656 -3.683 1.00 0.00 C ATOM 231 SD MET A 80 -5.509 6.874 -2.789 1.00 0.00 S ATOM 232 CE MET A 80 -6.682 6.174 -3.945 1.00 0.00 C ATOM 0 H MET A 80 -1.414 5.366 -2.502 1.00 0.00 H new ATOM 0 HA MET A 80 -4.168 4.337 -2.123 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.727 5.179 -4.635 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.409 4.718 -4.466 1.00 0.00 H new ATOM 0 HG2 MET A 80 -3.147 7.120 -3.109 1.00 0.00 H new ATOM 0 HG3 MET A 80 -4.011 7.189 -4.632 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.687 6.514 -3.695 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.432 6.495 -4.956 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.643 5.086 -3.889 1.00 0.00 H new ATOM 242 N ALA A 81 -3.357 2.103 -2.738 1.00 0.00 N ATOM 243 CA ALA A 81 -2.864 0.781 -2.931 1.00 0.00 C ATOM 244 C ALA A 81 -3.763 0.030 -3.838 1.00 0.00 C ATOM 245 O ALA A 81 -4.969 0.260 -3.856 1.00 0.00 O ATOM 246 CB ALA A 81 -2.750 0.067 -1.606 1.00 0.00 C ATOM 0 H ALA A 81 -4.305 2.152 -2.364 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.874 0.839 -3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.372 -0.942 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.064 0.612 -0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.732 0.016 -1.135 1.00 0.00 H new ATOM 252 N VAL A 82 -3.191 -0.842 -4.590 1.00 0.00 N ATOM 253 CA VAL A 82 -3.935 -1.672 -5.478 1.00 0.00 C ATOM 254 C VAL A 82 -4.427 -2.874 -4.715 1.00 0.00 C ATOM 255 O VAL A 82 -3.628 -3.670 -4.227 1.00 0.00 O ATOM 256 CB VAL A 82 -3.077 -2.108 -6.687 1.00 0.00 C ATOM 257 CG1 VAL A 82 -3.849 -3.052 -7.591 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.630 -0.886 -7.464 1.00 0.00 C ATOM 0 H VAL A 82 -2.184 -1.003 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.783 -1.110 -5.870 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.201 -2.640 -6.316 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.222 -3.343 -8.434 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.137 -3.940 -7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.744 -2.551 -7.961 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.025 -1.198 -8.316 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.504 -0.341 -7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.038 -0.239 -6.816 1.00 0.00 H new ATOM 268 N TRP A 83 -5.730 -2.965 -4.589 1.00 0.00 N ATOM 269 CA TRP A 83 -6.380 -4.033 -3.877 1.00 0.00 C ATOM 270 C TRP A 83 -6.101 -5.312 -4.599 1.00 0.00 C ATOM 271 O TRP A 83 -6.445 -5.444 -5.758 1.00 0.00 O ATOM 272 CB TRP A 83 -7.890 -3.776 -3.828 1.00 0.00 C ATOM 273 CG TRP A 83 -8.651 -4.688 -2.918 1.00 0.00 C ATOM 274 CD1 TRP A 83 -8.163 -5.334 -1.837 1.00 0.00 C ATOM 275 CD2 TRP A 83 -10.043 -5.014 -2.985 1.00 0.00 C ATOM 276 NE1 TRP A 83 -9.146 -6.056 -1.230 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.318 -5.870 -1.906 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.080 -4.670 -3.847 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.586 -6.384 -1.666 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.342 -5.184 -3.611 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.581 -6.030 -2.527 1.00 0.00 C ATOM 0 H TRP A 83 -6.378 -2.285 -4.987 1.00 0.00 H new ATOM 0 HA TRP A 83 -6.005 -4.092 -2.855 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.059 -2.746 -3.513 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.294 -3.871 -4.836 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -7.138 -5.285 -1.501 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -9.026 -6.641 -0.403 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -10.902 -4.013 -4.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.776 -7.039 -0.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.154 -4.927 -4.275 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.578 -6.413 -2.367 1.00 0.00 H new ATOM 292 N SER A 84 -5.500 -6.239 -3.923 1.00 0.00 N ATOM 293 CA SER A 84 -5.097 -7.500 -4.507 1.00 0.00 C ATOM 294 C SER A 84 -6.309 -8.313 -4.995 1.00 0.00 C ATOM 295 O SER A 84 -6.178 -9.188 -5.849 1.00 0.00 O ATOM 296 CB SER A 84 -4.268 -8.297 -3.486 1.00 0.00 C ATOM 297 OG SER A 84 -3.744 -9.506 -4.031 1.00 0.00 O ATOM 0 H SER A 84 -5.267 -6.150 -2.934 1.00 0.00 H new ATOM 0 HA SER A 84 -4.482 -7.296 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.446 -7.678 -3.128 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.890 -8.532 -2.622 1.00 0.00 H new ATOM 0 HG SER A 84 -3.224 -9.976 -3.346 1.00 0.00 H new ATOM 303 N GLU A 85 -7.477 -8.003 -4.480 1.00 0.00 N ATOM 304 CA GLU A 85 -8.659 -8.739 -4.843 1.00 0.00 C ATOM 305 C GLU A 85 -9.304 -8.223 -6.127 1.00 0.00 C ATOM 306 O GLU A 85 -9.718 -9.010 -6.962 1.00 0.00 O ATOM 307 CB GLU A 85 -9.654 -8.682 -3.724 1.00 0.00 C ATOM 308 CG GLU A 85 -9.169 -9.292 -2.428 1.00 0.00 C ATOM 309 CD GLU A 85 -8.855 -10.759 -2.552 1.00 0.00 C ATOM 310 OE1 GLU A 85 -9.790 -11.574 -2.640 1.00 0.00 O ATOM 311 OE2 GLU A 85 -7.668 -11.127 -2.542 1.00 0.00 O ATOM 0 H GLU A 85 -7.630 -7.248 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.352 -9.769 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.922 -7.641 -3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.564 -9.196 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.277 -8.762 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.929 -9.152 -1.660 1.00 0.00 H new ATOM 318 N ASP A 86 -9.386 -6.910 -6.294 1.00 0.00 N ATOM 319 CA ASP A 86 -10.082 -6.371 -7.472 1.00 0.00 C ATOM 320 C ASP A 86 -9.112 -5.745 -8.440 1.00 0.00 C ATOM 321 O ASP A 86 -9.437 -5.496 -9.600 1.00 0.00 O ATOM 322 CB ASP A 86 -11.143 -5.358 -7.046 1.00 0.00 C ATOM 323 CG ASP A 86 -12.118 -4.988 -8.145 1.00 0.00 C ATOM 324 OD1 ASP A 86 -12.858 -5.877 -8.623 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.210 -3.807 -8.500 1.00 0.00 O ATOM 0 H ASP A 86 -8.997 -6.213 -5.658 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.574 -7.200 -7.981 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.700 -5.764 -6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.647 -4.453 -6.695 1.00 0.00 H new ATOM 330 N GLY A 87 -7.914 -5.483 -7.966 1.00 0.00 N ATOM 331 CA GLY A 87 -6.887 -4.938 -8.830 1.00 0.00 C ATOM 332 C GLY A 87 -7.031 -3.456 -9.056 1.00 0.00 C ATOM 333 O GLY A 87 -6.366 -2.893 -9.912 1.00 0.00 O ATOM 0 H GLY A 87 -7.628 -5.636 -6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.909 -5.140 -8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.919 -5.451 -9.791 1.00 0.00 H new ATOM 337 N GLN A 88 -7.915 -2.823 -8.320 1.00 0.00 N ATOM 338 CA GLN A 88 -8.076 -1.381 -8.431 1.00 0.00 C ATOM 339 C GLN A 88 -7.404 -0.702 -7.259 1.00 0.00 C ATOM 340 O GLN A 88 -7.147 -1.341 -6.240 1.00 0.00 O ATOM 341 CB GLN A 88 -9.540 -0.987 -8.459 1.00 0.00 C ATOM 342 CG GLN A 88 -10.356 -1.634 -9.557 1.00 0.00 C ATOM 343 CD GLN A 88 -9.812 -1.386 -10.948 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.117 -0.376 -11.572 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.070 -2.324 -11.474 1.00 0.00 N ATOM 0 H GLN A 88 -8.531 -3.273 -7.643 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.615 -1.064 -9.367 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.987 -1.240 -7.498 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.607 0.096 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.399 -2.709 -9.380 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.379 -1.261 -9.505 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.833 -3.153 -10.929 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.727 -2.227 -12.430 1.00 0.00 H new ATOM 354 N CYS A 89 -7.141 0.570 -7.383 1.00 0.00 N ATOM 355 CA CYS A 89 -6.493 1.315 -6.325 1.00 0.00 C ATOM 356 C CYS A 89 -7.503 1.921 -5.354 1.00 0.00 C ATOM 357 O CYS A 89 -8.554 2.421 -5.759 1.00 0.00 O ATOM 358 CB CYS A 89 -5.570 2.378 -6.915 1.00 0.00 C ATOM 359 SG CYS A 89 -6.342 3.398 -8.192 1.00 0.00 S ATOM 0 H CYS A 89 -7.366 1.121 -8.211 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.886 0.619 -5.746 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.218 3.025 -6.111 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.693 1.888 -7.337 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.483 4.270 -8.629 1.00 0.00 H new ATOM 365 N TYR A 90 -7.196 1.809 -4.084 1.00 0.00 N ATOM 366 CA TYR A 90 -8.000 2.318 -2.988 1.00 0.00 C ATOM 367 C TYR A 90 -7.096 2.995 -1.983 1.00 0.00 C ATOM 368 O TYR A 90 -5.893 2.722 -1.964 1.00 0.00 O ATOM 369 CB TYR A 90 -8.764 1.195 -2.304 1.00 0.00 C ATOM 370 CG TYR A 90 -9.824 0.544 -3.156 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.512 -0.498 -4.019 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.135 0.963 -3.084 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.478 -1.102 -4.791 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.118 0.362 -3.851 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.782 -0.671 -4.705 1.00 0.00 C ATOM 376 OH TYR A 90 -12.755 -1.272 -5.471 1.00 0.00 O ATOM 0 H TYR A 90 -6.346 1.343 -3.768 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.722 3.031 -3.387 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.054 0.432 -1.986 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.233 1.589 -1.403 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.490 -0.842 -4.086 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.399 1.772 -2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.215 -1.908 -5.459 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.142 0.699 -3.782 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.621 -0.850 -5.290 1.00 0.00 H new ATOM 386 N GLU A 91 -7.649 3.871 -1.172 1.00 0.00 N ATOM 387 CA GLU A 91 -6.853 4.603 -0.198 1.00 0.00 C ATOM 388 C GLU A 91 -6.494 3.677 0.953 1.00 0.00 C ATOM 389 O GLU A 91 -7.363 3.030 1.540 1.00 0.00 O ATOM 390 CB GLU A 91 -7.616 5.817 0.345 1.00 0.00 C ATOM 391 CG GLU A 91 -6.769 6.698 1.264 1.00 0.00 C ATOM 392 CD GLU A 91 -7.528 7.853 1.882 1.00 0.00 C ATOM 393 OE1 GLU A 91 -7.722 8.884 1.213 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.919 7.761 3.072 1.00 0.00 O ATOM 0 H GLU A 91 -8.644 4.097 -1.164 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.950 4.961 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.976 6.416 -0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.494 5.472 0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.355 6.081 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.926 7.093 0.696 1.00 0.00 H new ATOM 401 N ALA A 92 -5.234 3.612 1.267 1.00 0.00 N ATOM 402 CA ALA A 92 -4.756 2.750 2.300 1.00 0.00 C ATOM 403 C ALA A 92 -3.660 3.423 3.093 1.00 0.00 C ATOM 404 O ALA A 92 -2.957 4.283 2.582 1.00 0.00 O ATOM 405 CB ALA A 92 -4.259 1.463 1.699 1.00 0.00 C ATOM 0 H ALA A 92 -4.506 4.160 0.809 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.577 2.529 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.895 0.808 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.074 0.971 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.448 1.676 1.003 1.00 0.00 H new ATOM 411 N GLU A 93 -3.531 3.048 4.325 1.00 0.00 N ATOM 412 CA GLU A 93 -2.532 3.609 5.195 1.00 0.00 C ATOM 413 C GLU A 93 -1.475 2.572 5.524 1.00 0.00 C ATOM 414 O GLU A 93 -1.797 1.423 5.813 1.00 0.00 O ATOM 415 CB GLU A 93 -3.190 4.154 6.455 1.00 0.00 C ATOM 416 CG GLU A 93 -2.227 4.732 7.464 1.00 0.00 C ATOM 417 CD GLU A 93 -2.944 5.412 8.585 1.00 0.00 C ATOM 418 OE1 GLU A 93 -3.537 4.719 9.437 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.960 6.654 8.628 1.00 0.00 O ATOM 0 H GLU A 93 -4.117 2.339 4.765 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.035 4.436 4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.906 4.926 6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.756 3.353 6.930 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.598 3.937 7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.566 5.444 6.970 1.00 0.00 H new ATOM 426 N ILE A 94 -0.237 2.975 5.421 1.00 0.00 N ATOM 427 CA ILE A 94 0.910 2.133 5.700 1.00 0.00 C ATOM 428 C ILE A 94 1.080 1.881 7.189 1.00 0.00 C ATOM 429 O ILE A 94 1.208 2.816 7.986 1.00 0.00 O ATOM 430 CB ILE A 94 2.185 2.784 5.156 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.028 3.042 3.670 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.395 1.899 5.421 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.079 3.935 3.098 1.00 0.00 C ATOM 0 H ILE A 94 0.015 3.921 5.134 1.00 0.00 H new ATOM 0 HA ILE A 94 0.735 1.176 5.208 1.00 0.00 H new ATOM 0 HB ILE A 94 2.345 3.733 5.667 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.047 2.089 3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.049 3.487 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.290 2.379 5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.507 1.748 6.495 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.255 0.935 4.932 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.899 4.072 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.046 4.903 3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.060 3.483 3.245 1.00 0.00 H new ATOM 445 N GLU A 95 1.106 0.625 7.527 1.00 0.00 N ATOM 446 CA GLU A 95 1.274 0.164 8.885 1.00 0.00 C ATOM 447 C GLU A 95 2.714 -0.256 9.144 1.00 0.00 C ATOM 448 O GLU A 95 3.261 -0.021 10.216 1.00 0.00 O ATOM 449 CB GLU A 95 0.368 -1.027 9.086 1.00 0.00 C ATOM 450 CG GLU A 95 -1.090 -0.685 8.971 1.00 0.00 C ATOM 451 CD GLU A 95 -1.588 0.049 10.182 1.00 0.00 C ATOM 452 OE1 GLU A 95 -2.003 -0.613 11.148 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.563 1.291 10.206 1.00 0.00 O ATOM 0 H GLU A 95 1.009 -0.132 6.851 1.00 0.00 H new ATOM 0 HA GLU A 95 1.026 0.971 9.575 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.615 -1.792 8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.557 -1.458 10.069 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.251 -0.073 8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.668 -1.599 8.837 1.00 0.00 H new ATOM 460 N GLU A 96 3.323 -0.876 8.161 1.00 0.00 N ATOM 461 CA GLU A 96 4.654 -1.403 8.298 1.00 0.00 C ATOM 462 C GLU A 96 5.344 -1.417 6.949 1.00 0.00 C ATOM 463 O GLU A 96 4.694 -1.631 5.934 1.00 0.00 O ATOM 464 CB GLU A 96 4.565 -2.812 8.894 1.00 0.00 C ATOM 465 CG GLU A 96 5.841 -3.594 8.846 1.00 0.00 C ATOM 466 CD GLU A 96 5.747 -4.895 9.584 1.00 0.00 C ATOM 467 OE1 GLU A 96 5.257 -5.884 9.002 1.00 0.00 O ATOM 468 OE2 GLU A 96 6.172 -4.952 10.766 1.00 0.00 O ATOM 0 H GLU A 96 2.906 -1.028 7.243 1.00 0.00 H new ATOM 0 HA GLU A 96 5.244 -0.775 8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.242 -2.733 9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.794 -3.369 8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.105 -3.788 7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.646 -2.996 9.273 1.00 0.00 H new ATOM 475 N ILE A 97 6.633 -1.152 6.931 1.00 0.00 N ATOM 476 CA ILE A 97 7.401 -1.157 5.702 1.00 0.00 C ATOM 477 C ILE A 97 8.574 -2.111 5.831 1.00 0.00 C ATOM 478 O ILE A 97 9.190 -2.213 6.895 1.00 0.00 O ATOM 479 CB ILE A 97 7.961 0.260 5.380 1.00 0.00 C ATOM 480 CG1 ILE A 97 6.829 1.267 5.310 1.00 0.00 C ATOM 481 CG2 ILE A 97 8.756 0.263 4.063 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.290 2.670 5.083 1.00 0.00 C ATOM 0 H ILE A 97 7.177 -0.928 7.764 1.00 0.00 H new ATOM 0 HA ILE A 97 6.735 -1.472 4.899 1.00 0.00 H new ATOM 0 HB ILE A 97 8.642 0.542 6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.150 0.982 4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.260 1.226 6.239 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.133 1.267 3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.594 -0.430 4.142 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.106 -0.046 3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.427 3.335 5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 97 7.946 2.974 5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.834 2.726 4.140 1.00 0.00 H new ATOM 494 N ASP A 98 8.848 -2.827 4.780 1.00 0.00 N ATOM 495 CA ASP A 98 10.023 -3.643 4.677 1.00 0.00 C ATOM 496 C ASP A 98 10.746 -3.207 3.431 1.00 0.00 C ATOM 497 O ASP A 98 10.382 -3.599 2.330 1.00 0.00 O ATOM 498 CB ASP A 98 9.683 -5.121 4.575 1.00 0.00 C ATOM 499 CG ASP A 98 10.930 -5.983 4.573 1.00 0.00 C ATOM 500 OD1 ASP A 98 11.534 -6.179 3.516 1.00 0.00 O ATOM 501 OD2 ASP A 98 11.334 -6.468 5.653 1.00 0.00 O ATOM 0 H ASP A 98 8.250 -2.861 3.955 1.00 0.00 H new ATOM 0 HA ASP A 98 10.634 -3.519 5.571 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.044 -5.406 5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.114 -5.302 3.663 1.00 0.00 H new ATOM 506 N GLU A 99 11.689 -2.314 3.591 1.00 0.00 N ATOM 507 CA GLU A 99 12.428 -1.758 2.470 1.00 0.00 C ATOM 508 C GLU A 99 13.306 -2.782 1.755 1.00 0.00 C ATOM 509 O GLU A 99 13.631 -2.602 0.586 1.00 0.00 O ATOM 510 CB GLU A 99 13.233 -0.542 2.883 1.00 0.00 C ATOM 511 CG GLU A 99 14.193 -0.789 4.024 1.00 0.00 C ATOM 512 CD GLU A 99 14.973 0.434 4.358 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.439 1.324 5.045 1.00 0.00 O ATOM 514 OE2 GLU A 99 16.133 0.546 3.937 1.00 0.00 O ATOM 0 H GLU A 99 11.972 -1.947 4.500 1.00 0.00 H new ATOM 0 HA GLU A 99 11.676 -1.442 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.796 -0.184 2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.546 0.254 3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.638 -1.119 4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 99 14.876 -1.595 3.757 1.00 0.00 H new ATOM 521 N GLU A 100 13.669 -3.846 2.452 1.00 0.00 N ATOM 522 CA GLU A 100 14.517 -4.873 1.886 1.00 0.00 C ATOM 523 C GLU A 100 13.773 -5.600 0.764 1.00 0.00 C ATOM 524 O GLU A 100 14.320 -5.860 -0.300 1.00 0.00 O ATOM 525 CB GLU A 100 14.955 -5.862 2.965 1.00 0.00 C ATOM 526 CG GLU A 100 15.981 -6.870 2.490 1.00 0.00 C ATOM 527 CD GLU A 100 17.295 -6.219 2.108 1.00 0.00 C ATOM 528 OE1 GLU A 100 17.455 -5.778 0.946 1.00 0.00 O ATOM 529 OE2 GLU A 100 18.201 -6.140 2.959 1.00 0.00 O ATOM 0 H GLU A 100 13.386 -4.018 3.417 1.00 0.00 H new ATOM 0 HA GLU A 100 15.410 -4.404 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 100 15.368 -5.307 3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.079 -6.395 3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.157 -7.604 3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.584 -7.412 1.632 1.00 0.00 H new ATOM 536 N ASN A 101 12.532 -5.923 1.005 1.00 0.00 N ATOM 537 CA ASN A 101 11.706 -6.573 0.001 1.00 0.00 C ATOM 538 C ASN A 101 10.934 -5.542 -0.794 1.00 0.00 C ATOM 539 O ASN A 101 10.318 -5.851 -1.826 1.00 0.00 O ATOM 540 CB ASN A 101 10.758 -7.583 0.655 1.00 0.00 C ATOM 541 CG ASN A 101 11.494 -8.774 1.250 1.00 0.00 C ATOM 542 OD1 ASN A 101 11.675 -9.803 0.588 1.00 0.00 O ATOM 543 ND2 ASN A 101 11.942 -8.644 2.470 1.00 0.00 N ATOM 0 H ASN A 101 12.059 -5.749 1.892 1.00 0.00 H new ATOM 0 HA ASN A 101 12.356 -7.116 -0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 101 10.187 -7.085 1.438 1.00 0.00 H new ATOM 0 HB3 ASN A 101 10.042 -7.937 -0.087 1.00 0.00 H new ATOM 0 HD21 ASN A 101 12.460 -9.406 2.907 1.00 0.00 H new ATOM 0 HD22 ASN A 101 11.774 -7.780 2.986 1.00 0.00 H new ATOM 550 N GLY A 102 10.992 -4.310 -0.318 1.00 0.00 N ATOM 551 CA GLY A 102 10.306 -3.212 -0.947 1.00 0.00 C ATOM 552 C GLY A 102 8.808 -3.349 -0.820 1.00 0.00 C ATOM 553 O GLY A 102 8.067 -3.037 -1.748 1.00 0.00 O ATOM 0 H GLY A 102 11.518 -4.050 0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.626 -2.274 -0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.580 -3.166 -2.001 1.00 0.00 H new ATOM 557 N THR A 103 8.350 -3.800 0.316 1.00 0.00 N ATOM 558 CA THR A 103 6.956 -4.034 0.495 1.00 0.00 C ATOM 559 C THR A 103 6.448 -3.286 1.702 1.00 0.00 C ATOM 560 O THR A 103 7.213 -2.966 2.620 1.00 0.00 O ATOM 561 CB THR A 103 6.666 -5.543 0.667 1.00 0.00 C ATOM 562 OG1 THR A 103 7.391 -6.043 1.805 1.00 0.00 O ATOM 563 CG2 THR A 103 7.085 -6.334 -0.566 1.00 0.00 C ATOM 0 H THR A 103 8.929 -4.011 1.129 1.00 0.00 H new ATOM 0 HA THR A 103 6.441 -3.676 -0.396 1.00 0.00 H new ATOM 0 HB THR A 103 5.592 -5.664 0.811 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.207 -6.999 1.916 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.867 -7.391 -0.412 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.534 -5.973 -1.434 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.154 -6.205 -0.735 1.00 0.00 H new ATOM 571 N ALA A 104 5.190 -2.999 1.713 1.00 0.00 N ATOM 572 CA ALA A 104 4.594 -2.362 2.835 1.00 0.00 C ATOM 573 C ALA A 104 3.253 -2.969 3.137 1.00 0.00 C ATOM 574 O ALA A 104 2.538 -3.433 2.241 1.00 0.00 O ATOM 575 CB ALA A 104 4.472 -0.874 2.607 1.00 0.00 C ATOM 0 H ALA A 104 4.548 -3.199 0.946 1.00 0.00 H new ATOM 0 HA ALA A 104 5.241 -2.517 3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.013 -0.409 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.463 -0.448 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.852 -0.690 1.729 1.00 0.00 H new ATOM 581 N ALA A 105 2.941 -3.009 4.385 1.00 0.00 N ATOM 582 CA ALA A 105 1.688 -3.484 4.842 1.00 0.00 C ATOM 583 C ALA A 105 0.802 -2.308 5.002 1.00 0.00 C ATOM 584 O ALA A 105 1.130 -1.368 5.726 1.00 0.00 O ATOM 585 CB ALA A 105 1.831 -4.231 6.138 1.00 0.00 C ATOM 0 H ALA A 105 3.566 -2.705 5.131 1.00 0.00 H new ATOM 0 HA ALA A 105 1.264 -4.186 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 105 0.853 -4.584 6.464 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.495 -5.083 5.995 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.249 -3.568 6.896 1.00 0.00 H new ATOM 591 N ILE A 106 -0.273 -2.332 4.318 1.00 0.00 N ATOM 592 CA ILE A 106 -1.173 -1.229 4.289 1.00 0.00 C ATOM 593 C ILE A 106 -2.567 -1.661 4.684 1.00 0.00 C ATOM 594 O ILE A 106 -2.927 -2.826 4.544 1.00 0.00 O ATOM 595 CB ILE A 106 -1.162 -0.528 2.886 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.428 -1.514 1.742 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.135 0.213 2.643 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.881 -1.784 1.472 1.00 0.00 C ATOM 0 H ILE A 106 -0.566 -3.127 3.750 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.835 -0.496 5.021 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.977 0.195 2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.969 -1.127 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.933 -2.458 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.106 0.686 1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.267 0.977 3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 106 0.968 -0.489 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.973 -2.492 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.345 -2.204 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.381 -0.852 1.208 1.00 0.00 H new ATOM 610 N THR A 107 -3.310 -0.746 5.206 1.00 0.00 N ATOM 611 CA THR A 107 -4.669 -0.976 5.592 1.00 0.00 C ATOM 612 C THR A 107 -5.590 -0.033 4.825 1.00 0.00 C ATOM 613 O THR A 107 -5.454 1.187 4.916 1.00 0.00 O ATOM 614 CB THR A 107 -4.838 -0.771 7.106 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.936 -1.656 7.789 1.00 0.00 O ATOM 616 CG2 THR A 107 -6.269 -1.064 7.543 1.00 0.00 C ATOM 0 H THR A 107 -2.987 0.205 5.382 1.00 0.00 H new ATOM 0 HA THR A 107 -4.935 -2.006 5.352 1.00 0.00 H new ATOM 0 HB THR A 107 -4.617 0.268 7.352 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.030 -1.536 8.757 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.360 -0.911 8.618 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.953 -0.394 7.022 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.519 -2.097 7.301 1.00 0.00 H new ATOM 624 N PHE A 108 -6.502 -0.606 4.075 1.00 0.00 N ATOM 625 CA PHE A 108 -7.448 0.129 3.266 1.00 0.00 C ATOM 626 C PHE A 108 -8.418 0.894 4.139 1.00 0.00 C ATOM 627 O PHE A 108 -9.100 0.316 5.006 1.00 0.00 O ATOM 628 CB PHE A 108 -8.196 -0.809 2.342 1.00 0.00 C ATOM 629 CG PHE A 108 -7.320 -1.498 1.347 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.940 -0.842 0.192 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.890 -2.801 1.550 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.154 -1.463 -0.746 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.097 -3.429 0.616 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.728 -2.756 -0.536 1.00 0.00 C ATOM 0 H PHE A 108 -6.610 -1.618 4.008 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.894 0.846 2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.711 -1.560 2.941 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.962 -0.246 1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.266 0.174 0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.179 -3.327 2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.870 -0.939 -1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.764 -4.443 0.782 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.106 -3.245 -1.271 1.00 0.00 H new ATOM 644 N ALA A 109 -8.475 2.168 3.894 1.00 0.00 N ATOM 645 CA ALA A 109 -9.252 3.098 4.671 1.00 0.00 C ATOM 646 C ALA A 109 -10.744 2.878 4.497 1.00 0.00 C ATOM 647 O ALA A 109 -11.247 2.750 3.376 1.00 0.00 O ATOM 648 CB ALA A 109 -8.872 4.513 4.293 1.00 0.00 C ATOM 0 H ALA A 109 -7.968 2.607 3.125 1.00 0.00 H new ATOM 0 HA ALA A 109 -9.028 2.930 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -9.460 5.217 4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.812 4.671 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.070 4.672 3.233 1.00 0.00 H new ATOM 654 N GLY A 110 -11.432 2.777 5.606 1.00 0.00 N ATOM 655 CA GLY A 110 -12.863 2.605 5.601 1.00 0.00 C ATOM 656 C GLY A 110 -13.256 1.152 5.705 1.00 0.00 C ATOM 657 O GLY A 110 -14.216 0.804 6.391 1.00 0.00 O ATOM 0 H GLY A 110 -11.017 2.812 6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -13.298 3.159 6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.276 3.028 4.685 1.00 0.00 H new ATOM 661 N TYR A 111 -12.520 0.303 5.024 1.00 0.00 N ATOM 662 CA TYR A 111 -12.807 -1.120 5.030 1.00 0.00 C ATOM 663 C TYR A 111 -12.117 -1.787 6.203 1.00 0.00 C ATOM 664 O TYR A 111 -12.684 -2.663 6.869 1.00 0.00 O ATOM 665 CB TYR A 111 -12.345 -1.766 3.720 1.00 0.00 C ATOM 666 CG TYR A 111 -12.770 -1.000 2.505 1.00 0.00 C ATOM 667 CD1 TYR A 111 -14.026 -1.156 1.993 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.902 -0.113 1.874 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.433 -0.469 0.891 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.292 0.594 0.759 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.569 0.410 0.266 1.00 0.00 C ATOM 672 OH TYR A 111 -13.991 1.107 -0.853 1.00 0.00 O ATOM 0 H TYR A 111 -11.716 0.571 4.457 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.884 -1.254 5.126 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.258 -1.851 3.727 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.743 -2.779 3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.711 -1.839 2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.905 0.023 2.266 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.432 -0.611 0.505 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.611 1.281 0.278 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.355 0.967 -1.585 1.00 0.00 H new ATOM 682 N GLY A 112 -10.898 -1.367 6.464 1.00 0.00 N ATOM 683 CA GLY A 112 -10.141 -1.938 7.544 1.00 0.00 C ATOM 684 C GLY A 112 -9.397 -3.181 7.113 1.00 0.00 C ATOM 685 O GLY A 112 -8.891 -3.929 7.948 1.00 0.00 O ATOM 0 H GLY A 112 -10.416 -0.635 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.431 -1.201 7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.811 -2.183 8.368 1.00 0.00 H new ATOM 689 N ASN A 113 -9.352 -3.424 5.820 1.00 0.00 N ATOM 690 CA ASN A 113 -8.625 -4.571 5.279 1.00 0.00 C ATOM 691 C ASN A 113 -7.175 -4.251 5.203 1.00 0.00 C ATOM 692 O ASN A 113 -6.810 -3.096 5.066 1.00 0.00 O ATOM 693 CB ASN A 113 -9.116 -4.984 3.893 1.00 0.00 C ATOM 694 CG ASN A 113 -10.454 -5.665 3.885 1.00 0.00 C ATOM 695 OD1 ASN A 113 -11.326 -5.390 4.710 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.627 -6.562 2.961 1.00 0.00 N ATOM 0 H ASN A 113 -9.809 -2.845 5.116 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.804 -5.408 5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -9.170 -4.097 3.261 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -8.380 -5.651 3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.511 -7.068 2.900 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.879 -6.760 2.296 1.00 0.00 H new ATOM 703 N ALA A 114 -6.353 -5.243 5.251 1.00 0.00 N ATOM 704 CA ALA A 114 -4.928 -5.018 5.261 1.00 0.00 C ATOM 705 C ALA A 114 -4.221 -6.068 4.466 1.00 0.00 C ATOM 706 O ALA A 114 -4.575 -7.242 4.534 1.00 0.00 O ATOM 707 CB ALA A 114 -4.393 -4.985 6.682 1.00 0.00 C ATOM 0 H ALA A 114 -6.633 -6.223 5.284 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.740 -4.048 4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.317 -4.814 6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.878 -4.180 7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.600 -5.937 7.171 1.00 0.00 H new ATOM 713 N GLU A 115 -3.240 -5.658 3.718 1.00 0.00 N ATOM 714 CA GLU A 115 -2.477 -6.566 2.920 1.00 0.00 C ATOM 715 C GLU A 115 -1.052 -6.046 2.788 1.00 0.00 C ATOM 716 O GLU A 115 -0.785 -4.857 3.044 1.00 0.00 O ATOM 717 CB GLU A 115 -3.113 -6.747 1.529 1.00 0.00 C ATOM 718 CG GLU A 115 -3.102 -5.513 0.649 1.00 0.00 C ATOM 719 CD GLU A 115 -3.443 -5.868 -0.794 1.00 0.00 C ATOM 720 OE1 GLU A 115 -2.521 -6.277 -1.531 1.00 0.00 O ATOM 721 OE2 GLU A 115 -4.619 -5.797 -1.205 1.00 0.00 O ATOM 0 H GLU A 115 -2.947 -4.684 3.645 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.465 -7.540 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.589 -7.549 1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.145 -7.072 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.820 -4.786 1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.120 -5.042 0.689 1.00 0.00 H new ATOM 728 N VAL A 116 -0.147 -6.923 2.438 1.00 0.00 N ATOM 729 CA VAL A 116 1.226 -6.563 2.196 1.00 0.00 C ATOM 730 C VAL A 116 1.395 -6.408 0.702 1.00 0.00 C ATOM 731 O VAL A 116 1.244 -7.373 -0.053 1.00 0.00 O ATOM 732 CB VAL A 116 2.219 -7.639 2.723 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.664 -7.209 2.495 1.00 0.00 C ATOM 734 CG2 VAL A 116 1.978 -7.919 4.196 1.00 0.00 C ATOM 0 H VAL A 116 -0.344 -7.916 2.312 1.00 0.00 H new ATOM 0 HA VAL A 116 1.451 -5.638 2.727 1.00 0.00 H new ATOM 0 HB VAL A 116 2.043 -8.557 2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.337 -7.979 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.837 -7.067 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.852 -6.273 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.683 -8.674 4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.118 -7.002 4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.960 -8.282 4.335 1.00 0.00 H new ATOM 744 N THR A 117 1.672 -5.230 0.283 1.00 0.00 N ATOM 745 CA THR A 117 1.767 -4.914 -1.108 1.00 0.00 C ATOM 746 C THR A 117 3.076 -4.153 -1.351 1.00 0.00 C ATOM 747 O THR A 117 3.535 -3.402 -0.478 1.00 0.00 O ATOM 748 CB THR A 117 0.506 -4.112 -1.579 1.00 0.00 C ATOM 749 OG1 THR A 117 0.460 -3.997 -3.010 1.00 0.00 O ATOM 750 CG2 THR A 117 0.460 -2.731 -0.957 1.00 0.00 C ATOM 0 H THR A 117 1.844 -4.438 0.902 1.00 0.00 H new ATOM 0 HA THR A 117 1.787 -5.826 -1.704 1.00 0.00 H new ATOM 0 HB THR A 117 -0.365 -4.675 -1.244 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.339 -3.493 -3.272 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.428 -2.204 -1.306 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.424 -2.822 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.350 -2.172 -1.245 1.00 0.00 H new ATOM 758 N PRO A 118 3.758 -4.417 -2.467 1.00 0.00 N ATOM 759 CA PRO A 118 5.017 -3.774 -2.776 1.00 0.00 C ATOM 760 C PRO A 118 4.854 -2.270 -2.944 1.00 0.00 C ATOM 761 O PRO A 118 3.803 -1.794 -3.384 1.00 0.00 O ATOM 762 CB PRO A 118 5.440 -4.419 -4.092 1.00 0.00 C ATOM 763 CG PRO A 118 4.179 -4.895 -4.691 1.00 0.00 C ATOM 764 CD PRO A 118 3.317 -5.303 -3.543 1.00 0.00 C ATOM 0 HA PRO A 118 5.751 -3.901 -1.980 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.943 -3.703 -4.742 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.136 -5.241 -3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.703 -4.110 -5.278 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.357 -5.733 -5.365 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.258 -5.170 -3.766 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.459 -6.352 -3.285 1.00 0.00 H new ATOM 772 N LEU A 119 5.889 -1.534 -2.588 1.00 0.00 N ATOM 773 CA LEU A 119 5.916 -0.063 -2.685 1.00 0.00 C ATOM 774 C LEU A 119 5.601 0.411 -4.101 1.00 0.00 C ATOM 775 O LEU A 119 5.104 1.512 -4.294 1.00 0.00 O ATOM 776 CB LEU A 119 7.279 0.498 -2.259 1.00 0.00 C ATOM 777 CG LEU A 119 7.802 0.059 -0.892 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.123 0.733 -0.593 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.796 0.344 0.203 1.00 0.00 C ATOM 0 H LEU A 119 6.752 -1.933 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 119 5.147 0.309 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.014 0.215 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.217 1.586 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 119 7.958 -1.019 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.483 0.411 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.852 0.460 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.987 1.815 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.200 0.019 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.591 1.414 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.872 -0.196 -0.003 1.00 0.00 H new ATOM 791 N LEU A 120 5.897 -0.440 -5.081 1.00 0.00 N ATOM 792 CA LEU A 120 5.621 -0.151 -6.487 1.00 0.00 C ATOM 793 C LEU A 120 4.106 -0.065 -6.747 1.00 0.00 C ATOM 794 O LEU A 120 3.654 0.583 -7.699 1.00 0.00 O ATOM 795 CB LEU A 120 6.307 -1.213 -7.395 1.00 0.00 C ATOM 796 CG LEU A 120 5.716 -2.640 -7.426 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.628 -2.748 -8.471 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.795 -3.679 -7.662 1.00 0.00 C ATOM 0 H LEU A 120 6.334 -1.348 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 120 6.040 0.824 -6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.305 -0.830 -8.415 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.349 -1.291 -7.086 1.00 0.00 H new ATOM 0 HG LEU A 120 5.273 -2.837 -6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.227 -3.761 -8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.830 -2.042 -8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.042 -2.518 -9.453 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.346 -4.672 -7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.284 -3.486 -8.617 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.532 -3.627 -6.860 1.00 0.00 H new ATOM 810 N ASN A 121 3.330 -0.706 -5.884 1.00 0.00 N ATOM 811 CA ASN A 121 1.884 -0.720 -6.022 1.00 0.00 C ATOM 812 C ASN A 121 1.265 0.391 -5.256 1.00 0.00 C ATOM 813 O ASN A 121 0.080 0.689 -5.419 1.00 0.00 O ATOM 814 CB ASN A 121 1.290 -2.049 -5.590 1.00 0.00 C ATOM 815 CG ASN A 121 1.398 -3.101 -6.653 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.409 -2.806 -7.850 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.443 -4.323 -6.247 1.00 0.00 N ATOM 0 H ASN A 121 3.681 -1.224 -5.079 1.00 0.00 H new ATOM 0 HA ASN A 121 1.663 -0.581 -7.080 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.798 -2.394 -4.689 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.241 -1.907 -5.330 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.490 -5.084 -6.924 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.432 -4.529 -5.248 1.00 0.00 H new ATOM 824 N LEU A 122 2.047 0.991 -4.409 1.00 0.00 N ATOM 825 CA LEU A 122 1.589 2.113 -3.659 1.00 0.00 C ATOM 826 C LEU A 122 1.774 3.357 -4.482 1.00 0.00 C ATOM 827 O LEU A 122 2.869 3.647 -4.978 1.00 0.00 O ATOM 828 CB LEU A 122 2.349 2.229 -2.346 1.00 0.00 C ATOM 829 CG LEU A 122 2.244 1.032 -1.417 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.009 1.265 -0.141 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.804 0.727 -1.111 1.00 0.00 C ATOM 0 H LEU A 122 3.011 0.717 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 122 0.533 1.983 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.402 2.400 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.989 3.110 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 122 2.685 0.175 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.915 0.391 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.061 1.434 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.605 2.139 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.748 -0.133 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.344 1.590 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.275 0.503 -2.037 1.00 0.00 H new ATOM 843 N LYS A 123 0.718 4.071 -4.633 1.00 0.00 N ATOM 844 CA LYS A 123 0.703 5.284 -5.382 1.00 0.00 C ATOM 845 C LYS A 123 0.409 6.404 -4.405 1.00 0.00 C ATOM 846 O LYS A 123 -0.207 6.155 -3.371 1.00 0.00 O ATOM 847 CB LYS A 123 -0.402 5.221 -6.453 1.00 0.00 C ATOM 848 CG LYS A 123 -0.455 3.921 -7.253 1.00 0.00 C ATOM 849 CD LYS A 123 0.820 3.646 -8.032 1.00 0.00 C ATOM 850 CE LYS A 123 0.717 2.319 -8.774 1.00 0.00 C ATOM 851 NZ LYS A 123 1.916 2.040 -9.579 1.00 0.00 N ATOM 0 H LYS A 123 -0.186 3.825 -4.230 1.00 0.00 H new ATOM 0 HA LYS A 123 1.657 5.445 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.366 5.370 -5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.263 6.051 -7.146 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -0.644 3.091 -6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.295 3.962 -7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 123 1.001 4.453 -8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.671 3.624 -7.351 1.00 0.00 H new ATOM 0 HE2 LYS A 123 0.568 1.513 -8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -0.159 2.334 -9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 1.652 1.471 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 2.339 2.936 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 2.606 1.515 -9.004 1.00 0.00 H new ATOM 865 N PRO A 124 0.842 7.622 -4.670 1.00 0.00 N ATOM 866 CA PRO A 124 0.544 8.742 -3.791 1.00 0.00 C ATOM 867 C PRO A 124 -0.910 9.172 -3.895 1.00 0.00 C ATOM 868 O PRO A 124 -1.578 8.932 -4.922 1.00 0.00 O ATOM 869 CB PRO A 124 1.487 9.839 -4.266 1.00 0.00 C ATOM 870 CG PRO A 124 1.756 9.511 -5.693 1.00 0.00 C ATOM 871 CD PRO A 124 1.672 8.016 -5.819 1.00 0.00 C ATOM 0 HA PRO A 124 0.685 8.493 -2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 124 1.032 10.824 -4.165 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.407 9.851 -3.682 1.00 0.00 H new ATOM 0 HG2 PRO A 124 1.029 9.995 -6.345 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.741 9.869 -5.993 1.00 0.00 H new ATOM 0 HD2 PRO A 124 1.218 7.717 -6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.658 7.554 -5.779 1.00 0.00 H new ATOM 879 N VAL A 125 -1.412 9.764 -2.838 1.00 0.00 N ATOM 880 CA VAL A 125 -2.773 10.234 -2.799 1.00 0.00 C ATOM 881 C VAL A 125 -2.846 11.597 -3.489 1.00 0.00 C ATOM 882 O VAL A 125 -2.769 12.659 -2.854 1.00 0.00 O ATOM 883 CB VAL A 125 -3.339 10.316 -1.345 1.00 0.00 C ATOM 884 CG1 VAL A 125 -4.804 10.733 -1.344 1.00 0.00 C ATOM 885 CG2 VAL A 125 -3.174 8.988 -0.615 1.00 0.00 C ATOM 0 H VAL A 125 -0.886 9.933 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.397 9.513 -3.327 1.00 0.00 H new ATOM 0 HB VAL A 125 -2.764 11.077 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.168 10.781 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.904 11.713 -1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -5.390 10.004 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -3.577 9.075 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.711 8.207 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -2.116 8.731 -0.563 1.00 0.00 H new