USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 560 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 373 CYS SG : rot -132:sc= 1.03 USER MOD Set 1.2: A 379 ASN : amide:sc= 0.0229 K(o=-38,f=-43!) USER MOD Set 1.3: A 393 CYS SG : rot 30:sc= -20.4! USER MOD Set 1.4: A 396 CYS SG : rot -121:sc= -19! USER MOD Set 2.1: A 388 CYS SG : rot -158:sc= -5.56! USER MOD Set 2.2: A 390 HIS :FLIP no HD1:sc= -4.03! C(o=-30!,f=-29!) USER MOD Set 2.3: A 392 MET CE :methyl -119:sc= -8.92! (180deg=-11.4!) USER MOD Set 2.4: A 408 CYS SG : rot 174:sc= -7.95! USER MOD Set 2.5: A 411 CYS SG : rot 180:sc= -2.31 USER MOD Single : A 350 SER OG : rot -19:sc= 0.224 USER MOD Single : A 352 HIS : no HE2:sc= -2.95! C(o=-3!,f=-3.7!) USER MOD Single : A 354 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 356 THR OG1 : rot 167:sc= 0.247 USER MOD Single : A 357 GLN :FLIP amide:sc= -0.0683 F(o=-0.72,f=-0.068) USER MOD Single : A 359 GLN : amide:sc=-0.00768 X(o=-0.0077,f=-0.091) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 119:sc= -1.76 USER MOD Single : A 366 MET CE :methyl 159:sc= -0.0593 (180deg=-0.594) USER MOD Single : A 368 SER OG : rot 180:sc= 0 USER MOD Single : A 369 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -13.5! C(o=-14!,f=-21!) USER MOD Single : A 374 LYS NZ :NH3+ -136:sc= 0.95 (180deg=0.254) USER MOD Single : A 376 CYS SG : rot -170:sc= -1.89 USER MOD Single : A 381 LYS NZ :NH3+ 167:sc= 0.714 (180deg=0.592) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 398 THR OG1 : rot 91:sc= 0.222 USER MOD Single : A 401 GLN : amide:sc= -2.5! C(o=-2.5!,f=-3!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 413 CYS SG : rot 180:sc= -0.444 USER MOD Single : A 416 LYS NZ :NH3+ -148:sc= -0.231 (180deg=-1.12) USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 350 -0.935 9.579 -1.862 1.00 63.44 N ATOM 64 CA SER A 350 -1.641 10.125 -0.716 1.00 73.41 C ATOM 65 C SER A 350 -3.037 10.590 -1.135 1.00 51.50 C ATOM 66 O SER A 350 -3.218 11.107 -2.236 1.00 54.34 O ATOM 67 CB SER A 350 -0.862 11.282 -0.089 1.00 24.34 C ATOM 68 OG SER A 350 -0.337 12.168 -1.073 1.00 55.54 O ATOM 0 HA SER A 350 -1.736 9.339 0.033 1.00 73.41 H new ATOM 0 HB2 SER A 350 -1.515 11.836 0.585 1.00 24.34 H new ATOM 0 HB3 SER A 350 -0.045 10.885 0.514 1.00 24.34 H new ATOM 0 HG SER A 350 -0.307 11.713 -1.940 1.00 55.54 H new ATOM 74 N ASP A 351 -3.988 10.391 -0.234 1.00 62.21 N ATOM 75 CA ASP A 351 -5.362 10.784 -0.496 1.00 41.03 C ATOM 76 C ASP A 351 -5.600 12.190 0.057 1.00 1.25 C ATOM 77 O ASP A 351 -4.687 12.809 0.603 1.00 54.34 O ATOM 78 CB ASP A 351 -6.347 9.834 0.187 1.00 23.34 C ATOM 79 CG ASP A 351 -7.703 9.698 -0.508 1.00 0.03 C ATOM 80 OD1 ASP A 351 -8.736 9.481 0.144 1.00 65.23 O ATOM 81 OD2 ASP A 351 -7.673 9.826 -1.791 1.00 11.31 O ATOM 0 H ASP A 351 -3.834 9.963 0.679 1.00 62.21 H new ATOM 0 HA ASP A 351 -5.521 10.754 -1.574 1.00 41.03 H new ATOM 0 HB2 ASP A 351 -5.889 8.847 0.254 1.00 23.34 H new ATOM 0 HB3 ASP A 351 -6.512 10.178 1.208 1.00 23.34 H new ATOM 87 N HIS A 352 -6.831 12.654 -0.101 1.00 61.44 N ATOM 88 CA HIS A 352 -7.200 13.975 0.376 1.00 55.31 C ATOM 89 C HIS A 352 -8.594 13.922 1.006 1.00 42.42 C ATOM 90 O HIS A 352 -9.453 13.165 0.558 1.00 53.01 O ATOM 91 CB HIS A 352 -7.097 15.008 -0.749 1.00 21.44 C ATOM 92 CG HIS A 352 -5.710 15.574 -0.936 1.00 42.32 C ATOM 93 ND1 HIS A 352 -5.019 16.215 0.077 1.00 45.40 N ATOM 94 CD2 HIS A 352 -4.893 15.588 -2.028 1.00 50.45 C ATOM 95 CE1 HIS A 352 -3.841 16.595 -0.396 1.00 5.13 C ATOM 96 NE2 HIS A 352 -3.765 16.206 -1.701 1.00 1.11 N ATOM 0 H HIS A 352 -7.586 12.138 -0.553 1.00 61.44 H new ATOM 0 HA HIS A 352 -6.501 14.295 1.149 1.00 55.31 H new ATOM 0 HB2 HIS A 352 -7.419 14.547 -1.683 1.00 21.44 H new ATOM 0 HB3 HIS A 352 -7.787 15.826 -0.542 1.00 21.44 H new ATOM 0 HD1 HIS A 352 -5.359 16.369 1.026 1.00 45.40 H new ATOM 0 HD2 HIS A 352 -5.125 15.167 -2.995 1.00 50.45 H new ATOM 0 HE1 HIS A 352 -3.075 17.121 0.155 1.00 5.13 H new ATOM 104 N ILE A 353 -8.774 14.737 2.035 1.00 30.12 N ATOM 105 CA ILE A 353 -10.048 14.793 2.731 1.00 32.43 C ATOM 106 C ILE A 353 -10.447 16.255 2.940 1.00 71.12 C ATOM 107 O ILE A 353 -9.596 17.103 3.203 1.00 63.22 O ATOM 108 CB ILE A 353 -9.987 13.981 4.027 1.00 42.10 C ATOM 109 CG1 ILE A 353 -9.806 12.491 3.732 1.00 35.43 C ATOM 110 CG2 ILE A 353 -11.215 14.248 4.900 1.00 44.40 C ATOM 111 CD1 ILE A 353 -9.552 11.704 5.020 1.00 40.12 C ATOM 0 H ILE A 353 -8.059 15.364 2.403 1.00 30.12 H new ATOM 0 HA ILE A 353 -10.831 14.332 2.129 1.00 32.43 H new ATOM 0 HB ILE A 353 -9.114 14.306 4.593 1.00 42.10 H new ATOM 0 HG12 ILE A 353 -10.696 12.104 3.235 1.00 35.43 H new ATOM 0 HG13 ILE A 353 -8.971 12.351 3.045 1.00 35.43 H new ATOM 0 HG21 ILE A 353 -11.146 13.659 5.814 1.00 44.40 H new ATOM 0 HG22 ILE A 353 -11.258 15.307 5.153 1.00 44.40 H new ATOM 0 HG23 ILE A 353 -12.117 13.968 4.355 1.00 44.40 H new ATOM 0 HD11 ILE A 353 -9.427 10.648 4.782 1.00 40.12 H new ATOM 0 HD12 ILE A 353 -8.648 12.077 5.502 1.00 40.12 H new ATOM 0 HD13 ILE A 353 -10.400 11.826 5.694 1.00 40.12 H new ATOM 123 N LYS A 354 -11.742 16.505 2.815 1.00 50.44 N ATOM 124 CA LYS A 354 -12.264 17.851 2.986 1.00 31.41 C ATOM 125 C LYS A 354 -13.030 17.931 4.308 1.00 31.01 C ATOM 126 O LYS A 354 -13.627 16.948 4.744 1.00 12.14 O ATOM 127 CB LYS A 354 -13.094 18.262 1.768 1.00 1.44 C ATOM 128 CG LYS A 354 -13.420 19.757 1.807 1.00 65.00 C ATOM 129 CD LYS A 354 -12.195 20.595 1.433 1.00 30.32 C ATOM 130 CE LYS A 354 -12.244 21.011 -0.038 1.00 53.51 C ATOM 131 NZ LYS A 354 -11.356 20.151 -0.851 1.00 21.43 N ATOM 0 H LYS A 354 -12.445 15.799 2.597 1.00 50.44 H new ATOM 0 HA LYS A 354 -11.449 18.572 3.045 1.00 31.41 H new ATOM 0 HB2 LYS A 354 -12.547 18.029 0.855 1.00 1.44 H new ATOM 0 HB3 LYS A 354 -14.018 17.685 1.742 1.00 1.44 H new ATOM 0 HG2 LYS A 354 -14.237 19.973 1.118 1.00 65.00 H new ATOM 0 HG3 LYS A 354 -13.763 20.032 2.804 1.00 65.00 H new ATOM 0 HD2 LYS A 354 -12.151 21.482 2.064 1.00 30.32 H new ATOM 0 HD3 LYS A 354 -11.287 20.023 1.623 1.00 30.32 H new ATOM 0 HE2 LYS A 354 -13.267 20.940 -0.408 1.00 53.51 H new ATOM 0 HE3 LYS A 354 -11.941 22.053 -0.137 1.00 53.51 H new ATOM 0 HZ1 LYS A 354 -11.402 20.448 -1.847 1.00 21.43 H new ATOM 0 HZ2 LYS A 354 -10.378 20.239 -0.508 1.00 21.43 H new ATOM 0 HZ3 LYS A 354 -11.663 19.161 -0.770 1.00 21.43 H new ATOM 144 N VAL A 355 -12.988 19.111 4.909 1.00 40.24 N ATOM 145 CA VAL A 355 -13.671 19.333 6.172 1.00 23.20 C ATOM 146 C VAL A 355 -14.822 20.318 5.959 1.00 63.01 C ATOM 147 O VAL A 355 -14.875 21.005 4.940 1.00 4.42 O ATOM 148 CB VAL A 355 -12.671 19.801 7.232 1.00 53.23 C ATOM 149 CG1 VAL A 355 -13.394 20.303 8.483 1.00 33.34 C ATOM 150 CG2 VAL A 355 -11.680 18.689 7.580 1.00 43.24 C ATOM 0 H VAL A 355 -12.491 19.924 4.544 1.00 40.24 H new ATOM 0 HA VAL A 355 -14.104 18.403 6.541 1.00 23.20 H new ATOM 0 HB VAL A 355 -12.106 20.634 6.815 1.00 53.23 H new ATOM 0 HG11 VAL A 355 -12.661 20.630 9.221 1.00 33.34 H new ATOM 0 HG12 VAL A 355 -14.040 21.140 8.219 1.00 33.34 H new ATOM 0 HG13 VAL A 355 -13.997 19.498 8.903 1.00 33.34 H new ATOM 0 HG21 VAL A 355 -10.981 19.048 8.335 1.00 43.24 H new ATOM 0 HG22 VAL A 355 -12.222 17.827 7.968 1.00 43.24 H new ATOM 0 HG23 VAL A 355 -11.130 18.399 6.685 1.00 43.24 H new ATOM 160 N THR A 356 -15.715 20.355 6.936 1.00 12.25 N ATOM 161 CA THR A 356 -16.862 21.245 6.869 1.00 71.23 C ATOM 162 C THR A 356 -16.908 22.151 8.101 1.00 61.52 C ATOM 163 O THR A 356 -16.138 21.964 9.042 1.00 43.34 O ATOM 164 CB THR A 356 -18.117 20.386 6.699 1.00 41.24 C ATOM 165 OG1 THR A 356 -17.882 19.258 7.536 1.00 23.23 O ATOM 166 CG2 THR A 356 -18.233 19.790 5.294 1.00 24.02 C ATOM 0 H THR A 356 -15.668 19.783 7.779 1.00 12.25 H new ATOM 0 HA THR A 356 -16.792 21.917 6.014 1.00 71.23 H new ATOM 0 HB THR A 356 -19.000 20.988 6.912 1.00 41.24 H new ATOM 0 HG1 THR A 356 -18.716 18.756 7.650 1.00 23.23 H new ATOM 0 HG21 THR A 356 -19.140 19.190 5.227 1.00 24.02 H new ATOM 0 HG22 THR A 356 -18.275 20.595 4.560 1.00 24.02 H new ATOM 0 HG23 THR A 356 -17.366 19.161 5.093 1.00 24.02 H new ATOM 174 N GLN A 357 -17.819 23.112 8.056 1.00 64.35 N ATOM 175 CA GLN A 357 -17.975 24.047 9.157 1.00 71.05 C ATOM 176 C GLN A 357 -18.483 23.319 10.403 1.00 52.41 C ATOM 177 O GLN A 357 -18.098 23.654 11.522 1.00 44.31 O ATOM 178 CB GLN A 357 -18.911 25.195 8.772 1.00 22.21 C ATOM 179 CG GLN A 357 -18.154 26.290 8.017 1.00 32.35 C ATOM 180 CD GLN A 357 -18.776 27.664 8.275 1.00 34.45 C ATOM 181 OE1 GLN A 357 -20.099 27.642 8.410 1.00 1.42 O flip ATOM 182 NE2 GLN A 357 -18.100 28.676 8.347 1.00 33.43 N flip ATOM 0 H GLN A 357 -18.457 23.263 7.274 1.00 64.35 H new ATOM 0 HA GLN A 357 -17.000 24.478 9.384 1.00 71.05 H new ATOM 0 HB2 GLN A 357 -19.722 24.815 8.151 1.00 22.21 H new ATOM 0 HB3 GLN A 357 -19.366 25.615 9.669 1.00 22.21 H new ATOM 0 HG2 GLN A 357 -17.109 26.296 8.328 1.00 32.35 H new ATOM 0 HG3 GLN A 357 -18.167 26.076 6.948 1.00 32.35 H new ATOM 0 HE21 GLN A 357 -17.088 28.622 8.234 1.00 33.43 H new ATOM 0 HE22 GLN A 357 -18.547 29.576 8.520 1.00 33.43 H new ATOM 191 N GLU A 358 -19.341 22.337 10.167 1.00 3.34 N ATOM 192 CA GLU A 358 -19.905 21.560 11.257 1.00 35.51 C ATOM 193 C GLU A 358 -18.790 20.943 12.103 1.00 3.35 C ATOM 194 O GLU A 358 -18.818 21.028 13.330 1.00 25.23 O ATOM 195 CB GLU A 358 -20.852 20.480 10.728 1.00 44.15 C ATOM 196 CG GLU A 358 -20.097 19.464 9.868 1.00 74.24 C ATOM 197 CD GLU A 358 -21.066 18.635 9.022 1.00 34.33 C ATOM 198 OE1 GLU A 358 -22.171 18.311 9.484 1.00 62.22 O ATOM 199 OE2 GLU A 358 -20.637 18.327 7.845 1.00 13.03 O ATOM 0 H GLU A 358 -19.659 22.062 9.238 1.00 3.34 H new ATOM 0 HA GLU A 358 -20.487 22.230 11.890 1.00 35.51 H new ATOM 0 HB2 GLU A 358 -21.331 19.970 11.564 1.00 44.15 H new ATOM 0 HB3 GLU A 358 -21.645 20.942 10.140 1.00 44.15 H new ATOM 0 HG2 GLU A 358 -19.394 19.984 9.217 1.00 74.24 H new ATOM 0 HG3 GLU A 358 -19.511 18.804 10.508 1.00 74.24 H new ATOM 207 N GLN A 359 -17.834 20.337 11.415 1.00 41.35 N ATOM 208 CA GLN A 359 -16.711 19.707 12.088 1.00 42.24 C ATOM 209 C GLN A 359 -15.945 20.737 12.920 1.00 41.41 C ATOM 210 O GLN A 359 -15.810 20.584 14.133 1.00 64.02 O ATOM 211 CB GLN A 359 -15.786 19.017 11.083 1.00 52.54 C ATOM 212 CG GLN A 359 -16.560 18.015 10.224 1.00 21.32 C ATOM 213 CD GLN A 359 -16.561 16.627 10.869 1.00 65.04 C ATOM 214 OE1 GLN A 359 -15.526 16.051 11.165 1.00 14.40 O ATOM 215 NE2 GLN A 359 -17.775 16.124 11.068 1.00 34.22 N ATOM 0 H GLN A 359 -17.814 20.269 10.397 1.00 41.35 H new ATOM 0 HA GLN A 359 -17.099 18.941 12.760 1.00 42.24 H new ATOM 0 HB2 GLN A 359 -15.317 19.764 10.443 1.00 52.54 H new ATOM 0 HB3 GLN A 359 -14.985 18.503 11.614 1.00 52.54 H new ATOM 0 HG2 GLN A 359 -17.586 18.359 10.092 1.00 21.32 H new ATOM 0 HG3 GLN A 359 -16.112 17.959 9.232 1.00 21.32 H new ATOM 0 HE21 GLN A 359 -18.600 16.659 10.797 1.00 34.22 H new ATOM 0 HE22 GLN A 359 -17.882 15.203 11.492 1.00 34.22 H new ATOM 224 N TYR A 360 -15.464 21.765 12.235 1.00 22.41 N ATOM 225 CA TYR A 360 -14.715 22.820 12.896 1.00 21.11 C ATOM 226 C TYR A 360 -15.519 23.423 14.049 1.00 13.43 C ATOM 227 O TYR A 360 -14.950 23.836 15.059 1.00 52.35 O ATOM 228 CB TYR A 360 -14.479 23.897 11.836 1.00 52.32 C ATOM 229 CG TYR A 360 -13.408 24.921 12.217 1.00 53.42 C ATOM 230 CD1 TYR A 360 -12.154 24.496 12.605 1.00 41.42 C ATOM 231 CD2 TYR A 360 -13.697 26.270 12.172 1.00 4.43 C ATOM 232 CE1 TYR A 360 -11.146 25.460 12.963 1.00 10.24 C ATOM 233 CE2 TYR A 360 -12.689 27.234 12.531 1.00 44.31 C ATOM 234 CZ TYR A 360 -11.463 26.782 12.909 1.00 71.33 C ATOM 235 OH TYR A 360 -10.511 27.692 13.247 1.00 12.03 O ATOM 0 H TYR A 360 -15.579 21.889 11.229 1.00 22.41 H new ATOM 0 HA TYR A 360 -13.785 22.430 13.309 1.00 21.11 H new ATOM 0 HB2 TYR A 360 -14.191 23.416 10.902 1.00 52.32 H new ATOM 0 HB3 TYR A 360 -15.417 24.420 11.649 1.00 52.32 H new ATOM 0 HD1 TYR A 360 -11.928 23.440 12.640 1.00 41.42 H new ATOM 0 HD2 TYR A 360 -14.678 26.602 11.868 1.00 4.43 H new ATOM 0 HE1 TYR A 360 -10.160 25.141 13.268 1.00 10.24 H new ATOM 0 HE2 TYR A 360 -12.902 28.292 12.501 1.00 44.31 H new ATOM 0 HH TYR A 360 -10.878 28.597 13.161 1.00 12.03 H new ATOM 245 N GLU A 361 -16.830 23.455 13.861 1.00 54.41 N ATOM 246 CA GLU A 361 -17.719 24.002 14.873 1.00 62.52 C ATOM 247 C GLU A 361 -17.593 23.207 16.174 1.00 32.22 C ATOM 248 O GLU A 361 -17.459 23.788 17.250 1.00 33.10 O ATOM 249 CB GLU A 361 -19.167 24.020 14.379 1.00 23.31 C ATOM 250 CG GLU A 361 -19.478 25.323 13.641 1.00 12.53 C ATOM 251 CD GLU A 361 -20.955 25.697 13.788 1.00 4.20 C ATOM 252 OE1 GLU A 361 -21.610 25.269 14.750 1.00 41.13 O ATOM 253 OE2 GLU A 361 -21.418 26.462 12.859 1.00 53.34 O ATOM 0 H GLU A 361 -17.299 23.111 13.023 1.00 54.41 H new ATOM 0 HA GLU A 361 -17.425 25.033 15.070 1.00 62.52 H new ATOM 0 HB2 GLU A 361 -19.339 23.172 13.716 1.00 23.31 H new ATOM 0 HB3 GLU A 361 -19.845 23.906 15.225 1.00 23.31 H new ATOM 0 HG2 GLU A 361 -18.855 26.126 14.035 1.00 12.53 H new ATOM 0 HG3 GLU A 361 -19.230 25.215 12.585 1.00 12.53 H new ATOM 261 N LEU A 362 -17.641 21.890 16.033 1.00 2.32 N ATOM 262 CA LEU A 362 -17.534 21.010 17.184 1.00 31.03 C ATOM 263 C LEU A 362 -16.103 21.055 17.724 1.00 32.12 C ATOM 264 O LEU A 362 -15.863 21.149 18.928 1.00 1.03 O ATOM 265 CB LEU A 362 -18.013 19.601 16.828 1.00 41.33 C ATOM 266 CG LEU A 362 -19.527 19.419 16.703 1.00 21.13 C ATOM 267 CD1 LEU A 362 -20.199 20.714 16.242 1.00 30.50 C ATOM 268 CD2 LEU A 362 -19.864 18.240 15.788 1.00 41.44 C ATOM 0 H LEU A 362 -17.753 21.412 15.139 1.00 2.32 H new ATOM 0 HA LEU A 362 -18.189 21.351 17.986 1.00 31.03 H new ATOM 0 HB2 LEU A 362 -17.553 19.310 15.884 1.00 41.33 H new ATOM 0 HB3 LEU A 362 -17.646 18.911 17.588 1.00 41.33 H new ATOM 0 HG LEU A 362 -19.925 19.184 17.690 1.00 21.13 H new ATOM 0 HD11 LEU A 362 -21.275 20.557 16.161 1.00 30.50 H new ATOM 0 HD12 LEU A 362 -20.001 21.504 16.966 1.00 30.50 H new ATOM 0 HD13 LEU A 362 -19.801 21.004 15.270 1.00 30.50 H new ATOM 0 HD21 LEU A 362 -20.946 18.133 15.716 1.00 41.44 H new ATOM 0 HD22 LEU A 362 -19.451 18.420 14.796 1.00 41.44 H new ATOM 0 HD23 LEU A 362 -19.435 17.326 16.199 1.00 41.44 H new ATOM 304 N CYS A 364 -14.187 23.380 17.406 1.00 0.51 N ATOM 305 CA CYS A 364 -13.903 24.742 17.827 1.00 21.11 C ATOM 306 C CYS A 364 -14.328 24.891 19.289 1.00 5.03 C ATOM 307 O CYS A 364 -13.851 25.783 19.990 1.00 73.02 O ATOM 308 CB CYS A 364 -14.592 25.768 16.925 1.00 5.22 C ATOM 309 SG CYS A 364 -13.491 26.217 15.534 1.00 71.44 S ATOM 0 HA CYS A 364 -12.834 24.938 17.738 1.00 21.11 H new ATOM 0 HB2 CYS A 364 -15.527 25.358 16.542 1.00 5.22 H new ATOM 0 HB3 CYS A 364 -14.846 26.658 17.501 1.00 5.22 H new ATOM 0 HG CYS A 364 -14.058 25.894 14.410 1.00 71.44 H new ATOM 315 N GLU A 365 -15.219 24.004 19.707 1.00 42.11 N ATOM 316 CA GLU A 365 -15.713 24.026 21.073 1.00 21.11 C ATOM 317 C GLU A 365 -14.678 23.418 22.022 1.00 44.42 C ATOM 318 O GLU A 365 -14.867 23.421 23.237 1.00 10.22 O ATOM 319 CB GLU A 365 -17.053 23.295 21.183 1.00 3.43 C ATOM 320 CG GLU A 365 -18.181 24.123 20.565 1.00 50.22 C ATOM 321 CD GLU A 365 -19.548 23.629 21.042 1.00 53.22 C ATOM 322 OE1 GLU A 365 -19.776 22.413 21.118 1.00 71.45 O ATOM 323 OE2 GLU A 365 -20.390 24.560 21.341 1.00 73.43 O ATOM 0 H GLU A 365 -15.612 23.265 19.123 1.00 42.11 H new ATOM 0 HA GLU A 365 -15.877 25.064 21.362 1.00 21.11 H new ATOM 0 HB2 GLU A 365 -16.987 22.330 20.680 1.00 3.43 H new ATOM 0 HB3 GLU A 365 -17.277 23.094 22.231 1.00 3.43 H new ATOM 0 HG2 GLU A 365 -18.056 25.172 20.833 1.00 50.22 H new ATOM 0 HG3 GLU A 365 -18.128 24.063 19.478 1.00 50.22 H new ATOM 331 N MET A 366 -13.605 22.912 21.431 1.00 55.04 N ATOM 332 CA MET A 366 -12.540 22.302 22.208 1.00 41.30 C ATOM 333 C MET A 366 -11.233 23.084 22.055 1.00 74.21 C ATOM 334 O MET A 366 -10.430 23.144 22.984 1.00 3.31 O ATOM 335 CB MET A 366 -12.330 20.860 21.743 1.00 23.01 C ATOM 336 CG MET A 366 -12.159 20.793 20.224 1.00 31.10 C ATOM 337 SD MET A 366 -11.799 19.118 19.723 1.00 35.24 S ATOM 338 CE MET A 366 -13.376 18.349 20.057 1.00 42.42 C ATOM 0 H MET A 366 -13.451 22.912 20.423 1.00 55.04 H new ATOM 0 HA MET A 366 -12.829 22.315 23.259 1.00 41.30 H new ATOM 0 HB2 MET A 366 -11.449 20.442 22.230 1.00 23.01 H new ATOM 0 HB3 MET A 366 -13.181 20.249 22.044 1.00 23.01 H new ATOM 0 HG2 MET A 366 -13.067 21.141 19.732 1.00 31.10 H new ATOM 0 HG3 MET A 366 -11.353 21.456 19.911 1.00 31.10 H new ATOM 0 HE1 MET A 366 -13.462 17.430 19.478 1.00 42.42 H new ATOM 0 HE2 MET A 366 -13.450 18.117 21.119 1.00 42.42 H new ATOM 0 HE3 MET A 366 -14.180 19.031 19.778 1.00 42.42 H new ATOM 348 N GLY A 367 -11.062 23.662 20.875 1.00 1.45 N ATOM 349 CA GLY A 367 -9.867 24.437 20.589 1.00 43.42 C ATOM 350 C GLY A 367 -8.838 23.598 19.828 1.00 31.03 C ATOM 351 O GLY A 367 -7.641 23.683 20.098 1.00 41.14 O ATOM 0 H GLY A 367 -11.731 23.609 20.107 1.00 1.45 H new ATOM 0 HA2 GLY A 367 -10.131 25.316 20.001 1.00 43.42 H new ATOM 0 HA3 GLY A 367 -9.431 24.796 21.521 1.00 43.42 H new ATOM 355 N SER A 368 -9.343 22.806 18.893 1.00 4.33 N ATOM 356 CA SER A 368 -8.483 21.952 18.092 1.00 45.20 C ATOM 357 C SER A 368 -9.035 21.841 16.669 1.00 23.34 C ATOM 358 O SER A 368 -10.140 22.303 16.391 1.00 43.55 O ATOM 359 CB SER A 368 -8.347 20.563 18.719 1.00 10.31 C ATOM 360 OG SER A 368 -7.642 20.603 19.957 1.00 61.11 O ATOM 0 H SER A 368 -10.337 22.738 18.673 1.00 4.33 H new ATOM 0 HA SER A 368 -7.491 22.403 18.056 1.00 45.20 H new ATOM 0 HB2 SER A 368 -9.338 20.139 18.880 1.00 10.31 H new ATOM 0 HB3 SER A 368 -7.826 19.902 18.026 1.00 10.31 H new ATOM 0 HG SER A 368 -7.578 19.697 20.326 1.00 61.11 H new ATOM 366 N THR A 369 -8.240 21.224 15.807 1.00 20.12 N ATOM 367 CA THR A 369 -8.635 21.046 14.420 1.00 33.43 C ATOM 368 C THR A 369 -8.808 19.559 14.102 1.00 43.22 C ATOM 369 O THR A 369 -8.324 18.702 14.840 1.00 42.32 O ATOM 370 CB THR A 369 -7.595 21.739 13.539 1.00 5.22 C ATOM 371 OG1 THR A 369 -7.234 22.903 14.278 1.00 10.02 O ATOM 372 CG2 THR A 369 -8.197 22.291 12.245 1.00 2.14 C ATOM 0 H THR A 369 -7.324 20.841 16.042 1.00 20.12 H new ATOM 0 HA THR A 369 -9.605 21.504 14.223 1.00 33.43 H new ATOM 0 HB THR A 369 -6.798 21.036 13.297 1.00 5.22 H new ATOM 0 HG1 THR A 369 -6.561 23.411 13.779 1.00 10.02 H new ATOM 0 HG21 THR A 369 -7.416 22.773 11.657 1.00 2.14 H new ATOM 0 HG22 THR A 369 -8.633 21.475 11.669 1.00 2.14 H new ATOM 0 HG23 THR A 369 -8.971 23.019 12.486 1.00 2.14 H new ATOM 380 N PHE A 370 -9.499 19.299 13.002 1.00 63.12 N ATOM 381 CA PHE A 370 -9.741 17.931 12.576 1.00 31.34 C ATOM 382 C PHE A 370 -8.436 17.245 12.167 1.00 32.40 C ATOM 383 O PHE A 370 -7.973 16.329 12.845 1.00 20.21 O ATOM 384 CB PHE A 370 -10.671 17.998 11.363 1.00 23.42 C ATOM 385 CG PHE A 370 -10.943 16.640 10.712 1.00 20.13 C ATOM 386 CD1 PHE A 370 -11.521 15.643 11.435 1.00 53.33 C ATOM 387 CD2 PHE A 370 -10.607 16.430 9.411 1.00 23.14 C ATOM 388 CE1 PHE A 370 -11.774 14.383 10.831 1.00 51.34 C ATOM 389 CE2 PHE A 370 -10.859 15.170 8.807 1.00 34.13 C ATOM 390 CZ PHE A 370 -11.438 14.173 9.530 1.00 42.24 C ATOM 0 H PHE A 370 -9.899 20.013 12.393 1.00 63.12 H new ATOM 0 HA PHE A 370 -10.180 17.359 13.393 1.00 31.34 H new ATOM 0 HB2 PHE A 370 -11.620 18.439 11.669 1.00 23.42 H new ATOM 0 HB3 PHE A 370 -10.234 18.665 10.620 1.00 23.42 H new ATOM 0 HD1 PHE A 370 -11.787 15.810 12.468 1.00 53.33 H new ATOM 0 HD2 PHE A 370 -10.148 17.222 8.837 1.00 23.14 H new ATOM 0 HE1 PHE A 370 -12.233 13.592 11.405 1.00 51.34 H new ATOM 0 HE2 PHE A 370 -10.591 15.003 7.774 1.00 34.13 H new ATOM 0 HZ PHE A 370 -11.631 13.215 9.071 1.00 42.24 H new ATOM 400 N GLN A 371 -7.880 17.714 11.060 1.00 74.23 N ATOM 401 CA GLN A 371 -6.638 17.157 10.552 1.00 71.22 C ATOM 402 C GLN A 371 -5.625 16.997 11.687 1.00 22.00 C ATOM 403 O GLN A 371 -4.745 16.140 11.622 1.00 4.21 O ATOM 404 CB GLN A 371 -6.069 18.023 9.426 1.00 24.25 C ATOM 405 CG GLN A 371 -6.101 19.505 9.805 1.00 20.11 C ATOM 406 CD GLN A 371 -7.317 20.201 9.191 1.00 15.05 C ATOM 407 OE1 GLN A 371 -7.389 20.444 7.998 1.00 13.51 O ATOM 408 NE2 GLN A 371 -8.267 20.507 10.071 1.00 22.43 N ATOM 0 H GLN A 371 -8.267 18.474 10.500 1.00 74.23 H new ATOM 0 HA GLN A 371 -6.847 16.171 10.137 1.00 71.22 H new ATOM 0 HB2 GLN A 371 -5.044 17.721 9.212 1.00 24.25 H new ATOM 0 HB3 GLN A 371 -6.645 17.865 8.514 1.00 24.25 H new ATOM 0 HG2 GLN A 371 -6.129 19.606 10.890 1.00 20.11 H new ATOM 0 HG3 GLN A 371 -5.188 19.992 9.463 1.00 20.11 H new ATOM 0 HE21 GLN A 371 -8.143 20.275 11.057 1.00 22.43 H new ATOM 0 HE22 GLN A 371 -9.119 20.973 9.760 1.00 22.43 H new ATOM 417 N LEU A 372 -5.783 17.835 12.701 1.00 42.32 N ATOM 418 CA LEU A 372 -4.893 17.798 13.849 1.00 64.34 C ATOM 419 C LEU A 372 -5.175 16.536 14.667 1.00 70.15 C ATOM 420 O LEU A 372 -6.320 16.166 14.923 1.00 54.11 O ATOM 421 CB LEU A 372 -5.005 19.092 14.656 1.00 11.25 C ATOM 422 CG LEU A 372 -4.437 19.048 16.076 1.00 5.43 C ATOM 423 CD1 LEU A 372 -5.456 18.466 17.057 1.00 22.03 C ATOM 424 CD2 LEU A 372 -3.108 18.289 16.112 1.00 54.52 C ATOM 0 H LEU A 372 -6.515 18.544 12.751 1.00 42.32 H new ATOM 0 HA LEU A 372 -3.854 17.742 13.524 1.00 64.34 H new ATOM 0 HB2 LEU A 372 -4.496 19.884 14.107 1.00 11.25 H new ATOM 0 HB3 LEU A 372 -6.057 19.370 14.715 1.00 11.25 H new ATOM 0 HG LEU A 372 -4.233 20.071 16.394 1.00 5.43 H new ATOM 0 HD11 LEU A 372 -5.027 18.446 18.059 1.00 22.03 H new ATOM 0 HD12 LEU A 372 -6.353 19.085 17.059 1.00 22.03 H new ATOM 0 HD13 LEU A 372 -5.715 17.452 16.753 1.00 22.03 H new ATOM 0 HD21 LEU A 372 -2.726 18.273 17.133 1.00 54.52 H new ATOM 0 HD22 LEU A 372 -3.263 17.267 15.766 1.00 54.52 H new ATOM 0 HD23 LEU A 372 -2.387 18.786 15.463 1.00 54.52 H new ATOM 436 N CYS A 373 -4.095 15.877 15.074 1.00 4.12 N ATOM 437 CA CYS A 373 -4.196 14.655 15.863 1.00 42.23 C ATOM 438 C CYS A 373 -4.767 14.946 17.248 1.00 44.24 C ATOM 439 O CYS A 373 -4.333 15.902 17.888 1.00 10.45 O ATOM 440 CB CYS A 373 -2.823 13.993 15.994 1.00 33.40 C ATOM 441 SG CYS A 373 -1.731 14.783 17.220 1.00 62.15 S ATOM 0 H CYS A 373 -3.139 16.169 14.870 1.00 4.12 H new ATOM 0 HA CYS A 373 -4.873 13.974 15.347 1.00 42.23 H new ATOM 0 HB2 CYS A 373 -2.960 12.947 16.266 1.00 33.40 H new ATOM 0 HB3 CYS A 373 -2.330 14.007 15.022 1.00 33.40 H new ATOM 0 HG CYS A 373 -0.556 14.973 16.696 1.00 62.15 H new ATOM 446 N LYS A 374 -5.716 14.126 17.673 1.00 20.14 N ATOM 447 CA LYS A 374 -6.333 14.307 18.976 1.00 2.45 C ATOM 448 C LYS A 374 -5.581 13.469 20.013 1.00 55.23 C ATOM 449 O LYS A 374 -6.184 12.947 20.949 1.00 74.52 O ATOM 450 CB LYS A 374 -7.830 14.002 18.907 1.00 15.35 C ATOM 451 CG LYS A 374 -8.521 14.877 17.859 1.00 45.21 C ATOM 452 CD LYS A 374 -8.156 16.351 18.048 1.00 24.13 C ATOM 453 CE LYS A 374 -9.039 17.250 17.181 1.00 44.21 C ATOM 454 NZ LYS A 374 -10.392 17.369 17.768 1.00 72.23 N ATOM 0 H LYS A 374 -6.073 13.334 17.138 1.00 20.14 H new ATOM 0 HA LYS A 374 -6.258 15.348 19.292 1.00 2.45 H new ATOM 0 HB2 LYS A 374 -7.979 12.950 18.663 1.00 15.35 H new ATOM 0 HB3 LYS A 374 -8.284 14.171 19.883 1.00 15.35 H new ATOM 0 HG2 LYS A 374 -8.230 14.552 16.860 1.00 45.21 H new ATOM 0 HG3 LYS A 374 -9.602 14.754 17.933 1.00 45.21 H new ATOM 0 HD2 LYS A 374 -8.270 16.626 19.097 1.00 24.13 H new ATOM 0 HD3 LYS A 374 -7.108 16.506 17.790 1.00 24.13 H new ATOM 0 HE2 LYS A 374 -8.586 18.238 17.092 1.00 44.21 H new ATOM 0 HE3 LYS A 374 -9.108 16.839 16.174 1.00 44.21 H new ATOM 0 HZ1 LYS A 374 -11.106 17.275 17.017 1.00 72.23 H new ATOM 0 HZ2 LYS A 374 -10.531 16.618 18.474 1.00 72.23 H new ATOM 0 HZ3 LYS A 374 -10.491 18.298 18.226 1.00 72.23 H new ATOM 467 N ILE A 375 -4.276 13.367 19.810 1.00 11.14 N ATOM 468 CA ILE A 375 -3.436 12.601 20.716 1.00 51.34 C ATOM 469 C ILE A 375 -2.499 13.552 21.462 1.00 3.51 C ATOM 470 O ILE A 375 -2.537 13.631 22.689 1.00 2.30 O ATOM 471 CB ILE A 375 -2.708 11.489 19.959 1.00 71.43 C ATOM 472 CG1 ILE A 375 -3.691 10.648 19.141 1.00 62.10 C ATOM 473 CG2 ILE A 375 -1.876 10.630 20.913 1.00 5.21 C ATOM 474 CD1 ILE A 375 -2.950 9.637 18.264 1.00 43.03 C ATOM 0 H ILE A 375 -3.780 13.802 19.032 1.00 11.14 H new ATOM 0 HA ILE A 375 -4.045 12.098 21.467 1.00 51.34 H new ATOM 0 HB ILE A 375 -2.016 11.952 19.255 1.00 71.43 H new ATOM 0 HG12 ILE A 375 -4.372 10.123 19.811 1.00 62.10 H new ATOM 0 HG13 ILE A 375 -4.300 11.300 18.515 1.00 62.10 H new ATOM 0 HG21 ILE A 375 -1.369 9.847 20.349 1.00 5.21 H new ATOM 0 HG22 ILE A 375 -1.136 11.254 21.413 1.00 5.21 H new ATOM 0 HG23 ILE A 375 -2.530 10.176 21.657 1.00 5.21 H new ATOM 0 HD11 ILE A 375 -3.672 9.052 17.693 1.00 43.03 H new ATOM 0 HD12 ILE A 375 -2.288 10.166 17.578 1.00 43.03 H new ATOM 0 HD13 ILE A 375 -2.361 8.971 18.895 1.00 43.03 H new ATOM 486 N CYS A 376 -1.679 14.251 20.690 1.00 30.04 N ATOM 487 CA CYS A 376 -0.733 15.194 21.263 1.00 33.33 C ATOM 488 C CYS A 376 -1.202 16.610 20.925 1.00 50.14 C ATOM 489 O CYS A 376 -0.780 17.576 21.559 1.00 63.22 O ATOM 490 CB CYS A 376 0.693 14.932 20.774 1.00 13.23 C ATOM 491 SG CYS A 376 1.012 13.217 20.221 1.00 53.43 S ATOM 0 H CYS A 376 -1.650 14.183 19.673 1.00 30.04 H new ATOM 0 HA CYS A 376 -0.703 15.071 22.346 1.00 33.33 H new ATOM 0 HB2 CYS A 376 0.910 15.611 19.949 1.00 13.23 H new ATOM 0 HB3 CYS A 376 1.388 15.175 21.578 1.00 13.23 H new ATOM 0 HG CYS A 376 2.287 13.053 20.029 1.00 53.43 H new ATOM 496 N ALA A 377 -2.069 16.689 19.926 1.00 43.33 N ATOM 497 CA ALA A 377 -2.599 17.972 19.495 1.00 34.31 C ATOM 498 C ALA A 377 -1.440 18.931 19.217 1.00 14.04 C ATOM 499 O ALA A 377 -1.408 20.041 19.747 1.00 24.54 O ATOM 500 CB ALA A 377 -3.560 18.510 20.558 1.00 63.32 C ATOM 0 H ALA A 377 -2.418 15.886 19.403 1.00 43.33 H new ATOM 0 HA ALA A 377 -3.164 17.863 18.570 1.00 34.31 H new ATOM 0 HB1 ALA A 377 -3.958 19.472 20.235 1.00 63.32 H new ATOM 0 HB2 ALA A 377 -4.381 17.806 20.696 1.00 63.32 H new ATOM 0 HB3 ALA A 377 -3.027 18.635 21.500 1.00 63.32 H new ATOM 506 N GLU A 378 -0.517 18.469 18.387 1.00 75.42 N ATOM 507 CA GLU A 378 0.640 19.272 18.032 1.00 23.22 C ATOM 508 C GLU A 378 0.894 19.201 16.525 1.00 53.50 C ATOM 509 O GLU A 378 1.063 20.230 15.872 1.00 73.13 O ATOM 510 CB GLU A 378 1.876 18.828 18.817 1.00 4.42 C ATOM 511 CG GLU A 378 2.855 19.990 19.002 1.00 54.22 C ATOM 512 CD GLU A 378 4.225 19.486 19.457 1.00 25.30 C ATOM 513 OE1 GLU A 378 4.429 18.269 19.579 1.00 31.41 O ATOM 514 OE2 GLU A 378 5.098 20.408 19.686 1.00 15.31 O ATOM 0 H GLU A 378 -0.547 17.548 17.950 1.00 75.42 H new ATOM 0 HA GLU A 378 0.433 20.309 18.297 1.00 23.22 H new ATOM 0 HB2 GLU A 378 1.574 18.444 19.791 1.00 4.42 H new ATOM 0 HB3 GLU A 378 2.371 18.011 18.292 1.00 4.42 H new ATOM 0 HG2 GLU A 378 2.958 20.536 18.064 1.00 54.22 H new ATOM 0 HG3 GLU A 378 2.459 20.690 19.737 1.00 54.22 H new ATOM 522 N ASN A 379 0.912 17.978 16.017 1.00 50.13 N ATOM 523 CA ASN A 379 1.142 17.760 14.599 1.00 52.24 C ATOM 524 C ASN A 379 -0.139 17.227 13.955 1.00 75.43 C ATOM 525 O ASN A 379 -1.056 16.796 14.653 1.00 71.45 O ATOM 526 CB ASN A 379 2.249 16.729 14.372 1.00 4.42 C ATOM 527 CG ASN A 379 2.150 15.586 15.384 1.00 0.55 C ATOM 528 OD1 ASN A 379 1.076 15.179 15.796 1.00 3.03 O ATOM 529 ND2 ASN A 379 3.326 15.094 15.761 1.00 25.32 N ATOM 0 H ASN A 379 0.771 17.127 16.562 1.00 50.13 H new ATOM 0 HA ASN A 379 1.439 18.711 14.156 1.00 52.24 H new ATOM 0 HB2 ASN A 379 2.178 16.331 13.360 1.00 4.42 H new ATOM 0 HB3 ASN A 379 3.223 17.211 14.457 1.00 4.42 H new ATOM 0 HD21 ASN A 379 3.367 14.329 16.435 1.00 25.32 H new ATOM 0 HD22 ASN A 379 4.188 15.481 15.377 1.00 25.32 H new ATOM 536 N ASP A 380 -0.162 17.273 12.631 1.00 51.12 N ATOM 537 CA ASP A 380 -1.316 16.800 11.885 1.00 22.30 C ATOM 538 C ASP A 380 -1.264 15.274 11.788 1.00 63.32 C ATOM 539 O ASP A 380 -0.217 14.669 12.014 1.00 44.15 O ATOM 540 CB ASP A 380 -1.322 17.364 10.463 1.00 2.10 C ATOM 541 CG ASP A 380 -0.064 17.066 9.644 1.00 53.51 C ATOM 542 OD1 ASP A 380 1.020 16.837 10.199 1.00 23.34 O ATOM 543 OD2 ASP A 380 -0.232 17.076 8.365 1.00 42.52 O ATOM 0 H ASP A 380 0.600 17.631 12.055 1.00 51.12 H new ATOM 0 HA ASP A 380 -2.214 17.130 12.407 1.00 22.30 H new ATOM 0 HB2 ASP A 380 -2.186 16.963 9.933 1.00 2.10 H new ATOM 0 HB3 ASP A 380 -1.455 18.445 10.517 1.00 2.10 H new ATOM 549 N LYS A 381 -2.407 14.695 11.452 1.00 60.35 N ATOM 550 CA LYS A 381 -2.505 13.251 11.322 1.00 62.24 C ATOM 551 C LYS A 381 -1.727 12.801 10.083 1.00 30.54 C ATOM 552 O LYS A 381 -0.756 12.054 10.194 1.00 63.14 O ATOM 553 CB LYS A 381 -3.970 12.811 11.321 1.00 73.01 C ATOM 554 CG LYS A 381 -4.691 13.304 12.577 1.00 32.22 C ATOM 555 CD LYS A 381 -6.169 13.576 12.290 1.00 33.31 C ATOM 556 CE LYS A 381 -7.025 13.317 13.532 1.00 54.54 C ATOM 557 NZ LYS A 381 -8.457 13.541 13.229 1.00 20.14 N ATOM 0 H LYS A 381 -3.274 15.200 11.266 1.00 60.35 H new ATOM 0 HA LYS A 381 -2.049 12.759 12.182 1.00 62.24 H new ATOM 0 HB2 LYS A 381 -4.470 13.200 10.434 1.00 73.01 H new ATOM 0 HB3 LYS A 381 -4.027 11.724 11.268 1.00 73.01 H new ATOM 0 HG2 LYS A 381 -4.602 12.559 13.368 1.00 32.22 H new ATOM 0 HG3 LYS A 381 -4.214 14.214 12.941 1.00 32.22 H new ATOM 0 HD2 LYS A 381 -6.296 14.609 11.965 1.00 33.31 H new ATOM 0 HD3 LYS A 381 -6.507 12.940 11.472 1.00 33.31 H new ATOM 0 HE2 LYS A 381 -6.876 12.294 13.877 1.00 54.54 H new ATOM 0 HE3 LYS A 381 -6.711 13.976 14.342 1.00 54.54 H new ATOM 0 HZ1 LYS A 381 -9.039 13.156 14.000 1.00 20.14 H new ATOM 0 HZ2 LYS A 381 -8.637 14.561 13.136 1.00 20.14 H new ATOM 0 HZ3 LYS A 381 -8.702 13.064 12.338 1.00 20.14 H new ATOM 570 N ASP A 382 -2.183 13.274 8.933 1.00 72.40 N ATOM 571 CA ASP A 382 -1.542 12.929 7.675 1.00 13.02 C ATOM 572 C ASP A 382 -1.595 11.413 7.480 1.00 61.53 C ATOM 573 O ASP A 382 -0.777 10.848 6.755 1.00 72.22 O ATOM 574 CB ASP A 382 -0.073 13.356 7.671 1.00 71.32 C ATOM 575 CG ASP A 382 0.642 13.198 6.327 1.00 21.45 C ATOM 576 OD1 ASP A 382 0.065 13.460 5.262 1.00 73.42 O ATOM 577 OD2 ASP A 382 1.860 12.780 6.404 1.00 4.43 O ATOM 0 H ASP A 382 -2.989 13.893 8.845 1.00 72.40 H new ATOM 0 HA ASP A 382 -2.070 13.446 6.874 1.00 13.02 H new ATOM 0 HB2 ASP A 382 -0.013 14.400 7.977 1.00 71.32 H new ATOM 0 HB3 ASP A 382 0.462 12.773 8.421 1.00 71.32 H new ATOM 583 N VAL A 383 -2.565 10.796 8.139 1.00 2.21 N ATOM 584 CA VAL A 383 -2.735 9.356 8.047 1.00 43.12 C ATOM 585 C VAL A 383 -4.200 9.002 8.307 1.00 12.13 C ATOM 586 O VAL A 383 -5.008 9.876 8.618 1.00 40.22 O ATOM 587 CB VAL A 383 -1.771 8.653 9.004 1.00 25.05 C ATOM 588 CG1 VAL A 383 -2.426 8.417 10.367 1.00 45.41 C ATOM 589 CG2 VAL A 383 -1.263 7.340 8.405 1.00 32.34 C ATOM 0 H VAL A 383 -3.242 11.268 8.739 1.00 2.21 H new ATOM 0 HA VAL A 383 -2.489 9.006 7.044 1.00 43.12 H new ATOM 0 HB VAL A 383 -0.912 9.307 9.154 1.00 25.05 H new ATOM 0 HG11 VAL A 383 -1.719 7.916 11.028 1.00 45.41 H new ATOM 0 HG12 VAL A 383 -2.715 9.374 10.802 1.00 45.41 H new ATOM 0 HG13 VAL A 383 -3.311 7.793 10.242 1.00 45.41 H new ATOM 0 HG21 VAL A 383 -0.580 6.861 9.106 1.00 32.34 H new ATOM 0 HG22 VAL A 383 -2.107 6.678 8.211 1.00 32.34 H new ATOM 0 HG23 VAL A 383 -0.740 7.545 7.471 1.00 32.34 H new ATOM 599 N LYS A 384 -4.499 7.718 8.171 1.00 1.52 N ATOM 600 CA LYS A 384 -5.853 7.238 8.388 1.00 50.10 C ATOM 601 C LYS A 384 -5.814 5.743 8.708 1.00 22.44 C ATOM 602 O LYS A 384 -4.880 5.044 8.316 1.00 12.33 O ATOM 603 CB LYS A 384 -6.743 7.588 7.194 1.00 52.12 C ATOM 604 CG LYS A 384 -8.055 6.802 7.239 1.00 14.32 C ATOM 605 CD LYS A 384 -9.076 7.382 6.257 1.00 23.23 C ATOM 606 CE LYS A 384 -10.147 8.190 6.993 1.00 65.03 C ATOM 607 NZ LYS A 384 -11.341 8.367 6.137 1.00 71.11 N ATOM 0 H LYS A 384 -3.827 6.996 7.913 1.00 1.52 H new ATOM 0 HA LYS A 384 -6.301 7.737 9.247 1.00 50.10 H new ATOM 0 HB2 LYS A 384 -6.955 8.657 7.195 1.00 52.12 H new ATOM 0 HB3 LYS A 384 -6.215 7.369 6.266 1.00 52.12 H new ATOM 0 HG2 LYS A 384 -7.865 5.756 6.996 1.00 14.32 H new ATOM 0 HG3 LYS A 384 -8.463 6.826 8.250 1.00 14.32 H new ATOM 0 HD2 LYS A 384 -8.568 8.019 5.533 1.00 23.23 H new ATOM 0 HD3 LYS A 384 -9.546 6.574 5.696 1.00 23.23 H new ATOM 0 HE2 LYS A 384 -10.426 7.681 7.915 1.00 65.03 H new ATOM 0 HE3 LYS A 384 -9.747 9.164 7.275 1.00 65.03 H new ATOM 0 HZ1 LYS A 384 -12.058 8.917 6.651 1.00 71.11 H new ATOM 0 HZ2 LYS A 384 -11.074 8.873 5.268 1.00 71.11 H new ATOM 0 HZ3 LYS A 384 -11.731 7.436 5.889 1.00 71.11 H new ATOM 620 N ILE A 385 -6.839 5.295 9.418 1.00 31.02 N ATOM 621 CA ILE A 385 -6.934 3.895 9.796 1.00 43.02 C ATOM 622 C ILE A 385 -8.240 3.312 9.254 1.00 53.13 C ATOM 623 O ILE A 385 -9.268 3.988 9.241 1.00 2.15 O ATOM 624 CB ILE A 385 -6.770 3.736 11.309 1.00 54.02 C ATOM 625 CG1 ILE A 385 -5.561 4.525 11.816 1.00 73.14 C ATOM 626 CG2 ILE A 385 -6.696 2.259 11.700 1.00 61.31 C ATOM 627 CD1 ILE A 385 -4.253 3.860 11.384 1.00 23.10 C ATOM 0 H ILE A 385 -7.611 5.877 9.742 1.00 31.02 H new ATOM 0 HA ILE A 385 -6.120 3.324 9.349 1.00 43.02 H new ATOM 0 HB ILE A 385 -7.652 4.154 11.794 1.00 54.02 H new ATOM 0 HG12 ILE A 385 -5.600 5.544 11.431 1.00 73.14 H new ATOM 0 HG13 ILE A 385 -5.597 4.593 12.903 1.00 73.14 H new ATOM 0 HG21 ILE A 385 -6.579 2.174 12.780 1.00 61.31 H new ATOM 0 HG22 ILE A 385 -7.612 1.755 11.393 1.00 61.31 H new ATOM 0 HG23 ILE A 385 -5.843 1.794 11.205 1.00 61.31 H new ATOM 0 HD11 ILE A 385 -3.409 4.440 11.757 1.00 23.10 H new ATOM 0 HD12 ILE A 385 -4.207 2.850 11.791 1.00 23.10 H new ATOM 0 HD13 ILE A 385 -4.210 3.815 10.296 1.00 23.10 H new ATOM 639 N GLU A 386 -8.158 2.063 8.818 1.00 12.44 N ATOM 640 CA GLU A 386 -9.321 1.382 8.276 1.00 34.14 C ATOM 641 C GLU A 386 -9.392 -0.051 8.807 1.00 31.32 C ATOM 642 O GLU A 386 -8.404 -0.578 9.315 1.00 64.50 O ATOM 643 CB GLU A 386 -9.304 1.400 6.747 1.00 61.34 C ATOM 644 CG GLU A 386 -10.250 2.470 6.200 1.00 55.21 C ATOM 645 CD GLU A 386 -10.629 2.177 4.747 1.00 42.04 C ATOM 646 OE1 GLU A 386 -11.800 2.330 4.368 1.00 63.21 O ATOM 647 OE2 GLU A 386 -9.656 1.778 4.000 1.00 63.03 O ATOM 0 H GLU A 386 -7.304 1.505 8.829 1.00 12.44 H new ATOM 0 HA GLU A 386 -10.214 1.914 8.602 1.00 34.14 H new ATOM 0 HB2 GLU A 386 -8.291 1.591 6.393 1.00 61.34 H new ATOM 0 HB3 GLU A 386 -9.596 0.422 6.365 1.00 61.34 H new ATOM 0 HG2 GLU A 386 -11.150 2.512 6.813 1.00 55.21 H new ATOM 0 HG3 GLU A 386 -9.774 3.449 6.265 1.00 55.21 H new ATOM 655 N PRO A 387 -10.602 -0.657 8.668 1.00 1.20 N ATOM 656 CA PRO A 387 -11.721 0.039 8.055 1.00 22.42 C ATOM 657 C PRO A 387 -12.312 1.077 9.012 1.00 64.44 C ATOM 658 O PRO A 387 -13.097 1.944 8.631 1.00 70.24 O ATOM 659 CB PRO A 387 -12.708 -1.056 7.683 1.00 42.42 C ATOM 660 CG PRO A 387 -12.319 -2.268 8.514 1.00 53.24 C ATOM 661 CD PRO A 387 -10.935 -2.015 9.089 1.00 54.52 C ATOM 0 HA PRO A 387 -11.430 0.611 7.174 1.00 22.42 H new ATOM 0 HB2 PRO A 387 -13.732 -0.748 7.897 1.00 42.42 H new ATOM 0 HB3 PRO A 387 -12.659 -1.281 6.618 1.00 42.42 H new ATOM 0 HG2 PRO A 387 -13.041 -2.430 9.314 1.00 53.24 H new ATOM 0 HG3 PRO A 387 -12.318 -3.168 7.899 1.00 53.24 H new ATOM 0 HD2 PRO A 387 -10.935 -2.104 10.175 1.00 54.52 H new ATOM 0 HD3 PRO A 387 -10.211 -2.736 8.710 1.00 54.52 H new ATOM 669 N CYS A 388 -11.912 0.968 10.275 1.00 33.20 N ATOM 670 CA CYS A 388 -12.385 1.881 11.308 1.00 13.11 C ATOM 671 C CYS A 388 -12.554 3.292 10.752 1.00 10.12 C ATOM 672 O CYS A 388 -13.687 3.743 10.588 1.00 23.20 O ATOM 673 CB CYS A 388 -11.411 1.899 12.488 1.00 52.25 C ATOM 674 SG CYS A 388 -9.672 1.625 12.019 1.00 42.40 S ATOM 0 H CYS A 388 -11.261 0.256 10.607 1.00 33.20 H new ATOM 0 HA CYS A 388 -13.356 1.527 11.653 1.00 13.11 H new ATOM 0 HB2 CYS A 388 -11.492 2.859 12.998 1.00 52.25 H new ATOM 0 HB3 CYS A 388 -11.709 1.132 13.203 1.00 52.25 H new ATOM 0 HG CYS A 388 -9.005 1.206 13.053 1.00 42.40 H new ATOM 679 N GLY A 389 -11.437 3.951 10.479 1.00 74.32 N ATOM 680 CA GLY A 389 -11.477 5.302 9.946 1.00 61.01 C ATOM 681 C GLY A 389 -10.831 6.293 10.916 1.00 13.23 C ATOM 682 O GLY A 389 -11.028 7.502 10.797 1.00 64.41 O ATOM 0 H GLY A 389 -10.499 3.574 10.617 1.00 74.32 H new ATOM 0 HA2 GLY A 389 -10.958 5.334 8.988 1.00 61.01 H new ATOM 0 HA3 GLY A 389 -12.511 5.592 9.758 1.00 61.01 H new ATOM 686 N HIS A 390 -10.074 5.745 11.855 1.00 13.13 N ATOM 687 CA HIS A 390 -9.399 6.566 12.846 1.00 44.02 C ATOM 688 C HIS A 390 -8.219 7.290 12.194 1.00 53.43 C ATOM 689 O HIS A 390 -7.567 6.746 11.304 1.00 4.34 O ATOM 690 CB HIS A 390 -8.983 5.726 14.055 1.00 13.44 C ATOM 691 CG HIS A 390 -10.089 4.859 14.610 1.00 44.52 C ATOM 692 ND1 HIS A 390 -11.353 5.176 15.012 1.00 14.15 N flip ATOM 693 CD2 HIS A 390 -9.947 3.496 14.801 1.00 2.12 C flip ATOM 694 CE1 HIS A 390 -11.952 4.066 15.426 1.00 20.43 C flip ATOM 695 NE2 HIS A 390 -11.082 3.024 15.296 1.00 41.23 N flip ATOM 0 H HIS A 390 -9.913 4.742 11.951 1.00 13.13 H new ATOM 0 HA HIS A 390 -10.084 7.325 13.222 1.00 44.02 H new ATOM 0 HB2 HIS A 390 -8.144 5.090 13.772 1.00 13.44 H new ATOM 0 HB3 HIS A 390 -8.627 6.391 14.842 1.00 13.44 H new ATOM 0 HD2 HIS A 390 -9.062 2.916 14.584 1.00 2.12 H new ATOM 0 HE1 HIS A 390 -12.962 3.999 15.803 1.00 20.43 H new ATOM 0 HE2 HIS A 390 -11.272 2.051 15.538 1.00 41.23 H new ATOM 703 N LEU A 391 -7.982 8.507 12.661 1.00 0.23 N ATOM 704 CA LEU A 391 -6.893 9.312 12.135 1.00 64.01 C ATOM 705 C LEU A 391 -5.884 9.591 13.251 1.00 35.35 C ATOM 706 O LEU A 391 -6.231 9.546 14.431 1.00 41.11 O ATOM 707 CB LEU A 391 -7.435 10.577 11.466 1.00 33.35 C ATOM 708 CG LEU A 391 -8.805 10.447 10.797 1.00 32.35 C ATOM 709 CD1 LEU A 391 -8.789 9.360 9.721 1.00 23.30 C ATOM 710 CD2 LEU A 391 -9.902 10.208 11.837 1.00 75.34 C ATOM 0 H LEU A 391 -8.526 8.955 13.398 1.00 0.23 H new ATOM 0 HA LEU A 391 -6.362 8.769 11.353 1.00 64.01 H new ATOM 0 HB2 LEU A 391 -7.493 11.365 12.217 1.00 33.35 H new ATOM 0 HB3 LEU A 391 -6.716 10.904 10.715 1.00 33.35 H new ATOM 0 HG LEU A 391 -9.033 11.389 10.299 1.00 32.35 H new ATOM 0 HD11 LEU A 391 -9.775 9.288 9.261 1.00 23.30 H new ATOM 0 HD12 LEU A 391 -8.051 9.613 8.960 1.00 23.30 H new ATOM 0 HD13 LEU A 391 -8.530 8.403 10.174 1.00 23.30 H new ATOM 0 HD21 LEU A 391 -10.866 10.119 11.335 1.00 75.34 H new ATOM 0 HD22 LEU A 391 -9.691 9.289 12.383 1.00 75.34 H new ATOM 0 HD23 LEU A 391 -9.931 11.046 12.534 1.00 75.34 H new ATOM 722 N MET A 392 -4.657 9.872 12.840 1.00 1.11 N ATOM 723 CA MET A 392 -3.596 10.158 13.791 1.00 50.01 C ATOM 724 C MET A 392 -2.319 10.597 13.072 1.00 62.01 C ATOM 725 O MET A 392 -2.250 10.563 11.844 1.00 15.22 O ATOM 726 CB MET A 392 -3.308 8.909 14.626 1.00 73.30 C ATOM 727 CG MET A 392 -2.516 7.879 13.817 1.00 11.34 C ATOM 728 SD MET A 392 -2.539 6.300 14.650 1.00 53.44 S ATOM 729 CE MET A 392 -4.301 6.041 14.774 1.00 51.35 C ATOM 0 H MET A 392 -4.373 9.908 11.861 1.00 1.11 H new ATOM 0 HA MET A 392 -3.924 10.971 14.439 1.00 50.01 H new ATOM 0 HB2 MET A 392 -2.747 9.185 15.518 1.00 73.30 H new ATOM 0 HB3 MET A 392 -4.246 8.468 14.963 1.00 73.30 H new ATOM 0 HG2 MET A 392 -2.945 7.780 12.820 1.00 11.34 H new ATOM 0 HG3 MET A 392 -1.488 8.217 13.689 1.00 11.34 H new ATOM 0 HE1 MET A 392 -4.586 5.973 15.824 1.00 51.35 H new ATOM 0 HE2 MET A 392 -4.825 6.876 14.309 1.00 51.35 H new ATOM 0 HE3 MET A 392 -4.569 5.115 14.265 1.00 51.35 H new ATOM 739 N CYS A 393 -1.338 10.999 13.867 1.00 33.22 N ATOM 740 CA CYS A 393 -0.067 11.444 13.322 1.00 31.10 C ATOM 741 C CYS A 393 0.869 10.237 13.240 1.00 63.23 C ATOM 742 O CYS A 393 0.926 9.427 14.163 1.00 20.45 O ATOM 743 CB CYS A 393 0.537 12.580 14.150 1.00 21.54 C ATOM 744 SG CYS A 393 0.531 12.297 15.959 1.00 45.55 S ATOM 0 H CYS A 393 -1.398 11.026 14.885 1.00 33.22 H new ATOM 0 HA CYS A 393 -0.220 11.853 12.323 1.00 31.10 H new ATOM 0 HB2 CYS A 393 1.565 12.741 13.825 1.00 21.54 H new ATOM 0 HB3 CYS A 393 -0.012 13.497 13.938 1.00 21.54 H new ATOM 0 HG CYS A 393 0.617 11.022 16.199 1.00 45.55 H new ATOM 749 N THR A 394 1.581 10.155 12.125 1.00 33.10 N ATOM 750 CA THR A 394 2.512 9.060 11.910 1.00 12.31 C ATOM 751 C THR A 394 3.665 9.136 12.913 1.00 53.21 C ATOM 752 O THR A 394 4.212 8.110 13.314 1.00 50.30 O ATOM 753 CB THR A 394 2.971 9.110 10.451 1.00 31.45 C ATOM 754 OG1 THR A 394 1.770 8.939 9.704 1.00 40.34 O ATOM 755 CG2 THR A 394 3.825 7.900 10.065 1.00 1.42 C ATOM 0 H THR A 394 1.532 10.829 11.361 1.00 33.10 H new ATOM 0 HA THR A 394 2.035 8.095 12.083 1.00 12.31 H new ATOM 0 HB THR A 394 3.538 10.025 10.279 1.00 31.45 H new ATOM 0 HG1 THR A 394 1.975 8.960 8.746 1.00 40.34 H new ATOM 0 HG21 THR A 394 4.124 7.984 9.020 1.00 1.42 H new ATOM 0 HG22 THR A 394 4.713 7.866 10.696 1.00 1.42 H new ATOM 0 HG23 THR A 394 3.246 6.987 10.204 1.00 1.42 H new ATOM 763 N SER A 395 4.000 10.362 13.289 1.00 34.42 N ATOM 764 CA SER A 395 5.078 10.585 14.238 1.00 75.04 C ATOM 765 C SER A 395 4.635 10.165 15.641 1.00 43.01 C ATOM 766 O SER A 395 5.261 9.308 16.262 1.00 24.14 O ATOM 767 CB SER A 395 5.518 12.050 14.236 1.00 14.31 C ATOM 768 OG SER A 395 6.156 12.415 13.015 1.00 32.32 O ATOM 0 H SER A 395 3.544 11.211 12.954 1.00 34.42 H new ATOM 0 HA SER A 395 5.931 9.977 13.937 1.00 75.04 H new ATOM 0 HB2 SER A 395 4.650 12.689 14.396 1.00 14.31 H new ATOM 0 HB3 SER A 395 6.200 12.225 15.068 1.00 14.31 H new ATOM 0 HG SER A 395 6.420 13.358 13.053 1.00 32.32 H new ATOM 774 N CYS A 396 3.560 10.788 16.099 1.00 54.41 N ATOM 775 CA CYS A 396 3.026 10.490 17.417 1.00 3.12 C ATOM 776 C CYS A 396 2.743 8.988 17.492 1.00 3.44 C ATOM 777 O CYS A 396 3.043 8.346 18.498 1.00 52.32 O ATOM 778 CB CYS A 396 1.779 11.322 17.724 1.00 25.14 C ATOM 779 SG CYS A 396 0.604 11.486 16.331 1.00 1.24 S ATOM 0 H CYS A 396 3.044 11.499 15.581 1.00 54.41 H new ATOM 0 HA CYS A 396 3.758 10.759 18.178 1.00 3.12 H new ATOM 0 HB2 CYS A 396 1.258 10.872 18.569 1.00 25.14 H new ATOM 0 HB3 CYS A 396 2.092 12.318 18.036 1.00 25.14 H new ATOM 0 HG CYS A 396 0.449 12.743 16.040 1.00 1.24 H new ATOM 784 N LEU A 397 2.170 8.472 16.416 1.00 55.15 N ATOM 785 CA LEU A 397 1.843 7.058 16.347 1.00 72.11 C ATOM 786 C LEU A 397 3.028 6.239 16.862 1.00 44.41 C ATOM 787 O LEU A 397 2.848 5.293 17.626 1.00 23.32 O ATOM 788 CB LEU A 397 1.401 6.678 14.932 1.00 45.10 C ATOM 789 CG LEU A 397 1.372 5.181 14.618 1.00 71.12 C ATOM 790 CD1 LEU A 397 2.746 4.690 14.158 1.00 51.02 C ATOM 791 CD2 LEU A 397 0.847 4.380 15.812 1.00 45.54 C ATOM 0 H LEU A 397 1.923 9.008 15.584 1.00 55.15 H new ATOM 0 HA LEU A 397 0.994 6.832 16.992 1.00 72.11 H new ATOM 0 HB2 LEU A 397 0.404 7.084 14.763 1.00 45.10 H new ATOM 0 HB3 LEU A 397 2.068 7.165 14.221 1.00 45.10 H new ATOM 0 HG LEU A 397 0.679 5.019 13.792 1.00 71.12 H new ATOM 0 HD11 LEU A 397 2.697 3.623 13.941 1.00 51.02 H new ATOM 0 HD12 LEU A 397 3.043 5.230 13.259 1.00 51.02 H new ATOM 0 HD13 LEU A 397 3.478 4.867 14.946 1.00 51.02 H new ATOM 0 HD21 LEU A 397 0.837 3.319 15.562 1.00 45.54 H new ATOM 0 HD22 LEU A 397 1.495 4.544 16.673 1.00 45.54 H new ATOM 0 HD23 LEU A 397 -0.165 4.706 16.052 1.00 45.54 H new ATOM 803 N THR A 398 4.214 6.634 16.422 1.00 3.14 N ATOM 804 CA THR A 398 5.429 5.949 16.829 1.00 23.24 C ATOM 805 C THR A 398 5.525 5.894 18.355 1.00 10.03 C ATOM 806 O THR A 398 5.961 4.891 18.918 1.00 71.20 O ATOM 807 CB THR A 398 6.615 6.657 16.171 1.00 12.42 C ATOM 808 OG1 THR A 398 6.338 6.574 14.776 1.00 63.41 O ATOM 809 CG2 THR A 398 7.925 5.885 16.338 1.00 10.05 C ATOM 0 H THR A 398 4.359 7.420 15.788 1.00 3.14 H new ATOM 0 HA THR A 398 5.427 4.911 16.497 1.00 23.24 H new ATOM 0 HB THR A 398 6.725 7.654 16.598 1.00 12.42 H new ATOM 0 HG1 THR A 398 5.826 7.362 14.497 1.00 63.41 H new ATOM 0 HG21 THR A 398 8.734 6.431 15.853 1.00 10.05 H new ATOM 0 HG22 THR A 398 8.148 5.773 17.399 1.00 10.05 H new ATOM 0 HG23 THR A 398 7.828 4.900 15.882 1.00 10.05 H new ATOM 817 N ALA A 399 5.110 6.985 18.982 1.00 43.32 N ATOM 818 CA ALA A 399 5.144 7.074 20.432 1.00 53.32 C ATOM 819 C ALA A 399 4.369 5.898 21.029 1.00 72.24 C ATOM 820 O ALA A 399 4.646 5.471 22.148 1.00 1.35 O ATOM 821 CB ALA A 399 4.582 8.427 20.874 1.00 74.15 C ATOM 0 H ALA A 399 4.748 7.815 18.512 1.00 43.32 H new ATOM 0 HA ALA A 399 6.169 7.012 20.796 1.00 53.32 H new ATOM 0 HB1 ALA A 399 4.607 8.494 21.962 1.00 74.15 H new ATOM 0 HB2 ALA A 399 5.185 9.228 20.447 1.00 74.15 H new ATOM 0 HB3 ALA A 399 3.553 8.524 20.529 1.00 74.15 H new ATOM 827 N TRP A 400 3.413 5.406 20.254 1.00 13.50 N ATOM 828 CA TRP A 400 2.596 4.288 20.692 1.00 33.41 C ATOM 829 C TRP A 400 3.345 2.996 20.358 1.00 32.13 C ATOM 830 O TRP A 400 3.675 2.217 21.251 1.00 2.23 O ATOM 831 CB TRP A 400 1.201 4.349 20.066 1.00 62.22 C ATOM 832 CG TRP A 400 0.530 2.983 19.907 1.00 40.15 C ATOM 833 CD1 TRP A 400 0.286 2.311 18.773 1.00 32.13 C ATOM 834 CD2 TRP A 400 0.024 2.145 20.967 1.00 72.12 C ATOM 835 NE1 TRP A 400 -0.338 1.106 19.024 1.00 33.14 N ATOM 836 CE2 TRP A 400 -0.503 1.002 20.401 1.00 65.23 C ATOM 837 CE3 TRP A 400 0.011 2.346 22.358 1.00 2.13 C ATOM 838 CZ2 TRP A 400 -1.080 -0.029 21.151 1.00 32.32 C ATOM 839 CZ3 TRP A 400 -0.570 1.306 23.094 1.00 4.33 C ATOM 840 CH2 TRP A 400 -1.104 0.149 22.539 1.00 0.35 C ATOM 0 H TRP A 400 3.186 5.762 19.325 1.00 13.50 H new ATOM 0 HA TRP A 400 2.433 4.328 21.769 1.00 33.41 H new ATOM 0 HB2 TRP A 400 0.565 4.985 20.682 1.00 62.22 H new ATOM 0 HB3 TRP A 400 1.274 4.823 19.087 1.00 62.22 H new ATOM 0 HD1 TRP A 400 0.545 2.668 17.787 1.00 32.13 H new ATOM 0 HE1 TRP A 400 -0.625 0.418 18.328 1.00 33.14 H new ATOM 0 HE3 TRP A 400 0.417 3.232 22.822 1.00 2.13 H new ATOM 0 HZ2 TRP A 400 -1.485 -0.914 20.684 1.00 32.32 H new ATOM 0 HZ3 TRP A 400 -0.606 1.410 24.168 1.00 4.33 H new ATOM 0 HH2 TRP A 400 -1.535 -0.609 23.176 1.00 0.35 H new ATOM 851 N GLN A 401 3.591 2.808 19.070 1.00 12.30 N ATOM 852 CA GLN A 401 4.295 1.624 18.607 1.00 12.42 C ATOM 853 C GLN A 401 5.656 1.513 19.297 1.00 31.51 C ATOM 854 O GLN A 401 6.299 0.466 19.243 1.00 62.54 O ATOM 855 CB GLN A 401 4.451 1.639 17.085 1.00 1.34 C ATOM 856 CG GLN A 401 3.097 1.819 16.397 1.00 74.22 C ATOM 857 CD GLN A 401 2.592 0.492 15.826 1.00 52.12 C ATOM 858 OE1 GLN A 401 3.350 -0.340 15.355 1.00 3.44 O ATOM 859 NE2 GLN A 401 1.272 0.341 15.893 1.00 0.50 N ATOM 0 H GLN A 401 3.315 3.456 18.332 1.00 12.30 H new ATOM 0 HA GLN A 401 3.704 0.747 18.870 1.00 12.42 H new ATOM 0 HB2 GLN A 401 5.122 2.447 16.793 1.00 1.34 H new ATOM 0 HB3 GLN A 401 4.910 0.708 16.754 1.00 1.34 H new ATOM 0 HG2 GLN A 401 2.372 2.212 17.110 1.00 74.22 H new ATOM 0 HG3 GLN A 401 3.187 2.553 15.596 1.00 74.22 H new ATOM 0 HE21 GLN A 401 0.695 1.077 16.300 1.00 0.50 H new ATOM 0 HE22 GLN A 401 0.837 -0.511 15.538 1.00 0.50 H new ATOM 868 N GLU A 402 6.054 2.606 19.930 1.00 3.02 N ATOM 869 CA GLU A 402 7.327 2.644 20.630 1.00 63.21 C ATOM 870 C GLU A 402 7.604 1.297 21.302 1.00 13.51 C ATOM 871 O GLU A 402 8.568 0.615 20.959 1.00 33.22 O ATOM 872 CB GLU A 402 7.358 3.783 21.651 1.00 61.12 C ATOM 873 CG GLU A 402 8.070 5.011 21.081 1.00 44.13 C ATOM 874 CD GLU A 402 9.582 4.917 21.295 1.00 24.05 C ATOM 875 OE1 GLU A 402 10.358 5.439 20.481 1.00 70.44 O ATOM 876 OE2 GLU A 402 9.944 4.275 22.354 1.00 13.04 O ATOM 0 H GLU A 402 5.518 3.472 19.973 1.00 3.02 H new ATOM 0 HA GLU A 402 8.115 2.833 19.901 1.00 63.21 H new ATOM 0 HB2 GLU A 402 6.340 4.048 21.936 1.00 61.12 H new ATOM 0 HB3 GLU A 402 7.866 3.451 22.556 1.00 61.12 H new ATOM 0 HG2 GLU A 402 7.855 5.099 20.016 1.00 44.13 H new ATOM 0 HG3 GLU A 402 7.687 5.912 21.559 1.00 44.13 H new ATOM 884 N SER A 403 6.740 0.956 22.247 1.00 25.23 N ATOM 885 CA SER A 403 6.880 -0.297 22.971 1.00 54.34 C ATOM 886 C SER A 403 5.623 -1.149 22.787 1.00 35.40 C ATOM 887 O SER A 403 5.675 -2.372 22.907 1.00 73.52 O ATOM 888 CB SER A 403 7.140 -0.048 24.458 1.00 73.04 C ATOM 889 OG SER A 403 7.711 -1.186 25.097 1.00 4.12 O ATOM 0 H SER A 403 5.941 1.525 22.528 1.00 25.23 H new ATOM 0 HA SER A 403 7.738 -0.833 22.565 1.00 54.34 H new ATOM 0 HB2 SER A 403 7.809 0.805 24.571 1.00 73.04 H new ATOM 0 HB3 SER A 403 6.204 0.213 24.951 1.00 73.04 H new ATOM 0 HG SER A 403 7.863 -0.987 26.044 1.00 4.12 H new ATOM 895 N ASP A 404 4.522 -0.470 22.499 1.00 2.22 N ATOM 896 CA ASP A 404 3.254 -1.150 22.298 1.00 52.41 C ATOM 897 C ASP A 404 3.181 -1.669 20.861 1.00 62.52 C ATOM 898 O ASP A 404 3.667 -2.760 20.566 1.00 23.32 O ATOM 899 CB ASP A 404 2.077 -0.196 22.516 1.00 63.32 C ATOM 900 CG ASP A 404 1.713 0.057 23.980 1.00 73.10 C ATOM 901 OD1 ASP A 404 1.374 -0.875 24.724 1.00 22.42 O ATOM 902 OD2 ASP A 404 1.788 1.289 24.355 1.00 34.23 O ATOM 0 H ASP A 404 4.482 0.544 22.400 1.00 2.22 H new ATOM 0 HA ASP A 404 3.193 -1.969 23.015 1.00 52.41 H new ATOM 0 HB2 ASP A 404 2.311 0.759 22.045 1.00 63.32 H new ATOM 0 HB3 ASP A 404 1.203 -0.598 22.004 1.00 63.32 H new ATOM 908 N GLY A 405 2.570 -0.864 20.004 1.00 24.13 N ATOM 909 CA GLY A 405 2.428 -1.229 18.605 1.00 31.20 C ATOM 910 C GLY A 405 1.380 -2.330 18.430 1.00 62.44 C ATOM 911 O GLY A 405 1.472 -3.138 17.506 1.00 10.03 O ATOM 0 H GLY A 405 2.168 0.040 20.252 1.00 24.13 H new ATOM 0 HA2 GLY A 405 2.141 -0.353 18.024 1.00 31.20 H new ATOM 0 HA3 GLY A 405 3.387 -1.569 18.215 1.00 31.20 H new ATOM 915 N GLN A 406 0.409 -2.327 19.330 1.00 34.43 N ATOM 916 CA GLN A 406 -0.655 -3.316 19.287 1.00 73.24 C ATOM 917 C GLN A 406 -1.798 -2.828 18.394 1.00 43.51 C ATOM 918 O GLN A 406 -2.900 -2.571 18.875 1.00 12.02 O ATOM 919 CB GLN A 406 -1.160 -3.641 20.694 1.00 62.11 C ATOM 920 CG GLN A 406 -0.466 -4.886 21.251 1.00 13.13 C ATOM 921 CD GLN A 406 -1.248 -6.153 20.899 1.00 62.14 C ATOM 922 OE1 GLN A 406 -1.979 -6.211 19.924 1.00 72.32 O ATOM 923 NE2 GLN A 406 -1.053 -7.162 21.743 1.00 1.44 N ATOM 0 H GLN A 406 0.336 -1.655 20.094 1.00 34.43 H new ATOM 0 HA GLN A 406 -0.252 -4.235 18.860 1.00 73.24 H new ATOM 0 HB2 GLN A 406 -0.979 -2.793 21.354 1.00 62.11 H new ATOM 0 HB3 GLN A 406 -2.238 -3.801 20.670 1.00 62.11 H new ATOM 0 HG2 GLN A 406 0.545 -4.954 20.848 1.00 13.13 H new ATOM 0 HG3 GLN A 406 -0.373 -4.801 22.334 1.00 13.13 H new ATOM 0 HE21 GLN A 406 -0.427 -7.046 22.540 1.00 1.44 H new ATOM 0 HE22 GLN A 406 -1.529 -8.051 21.593 1.00 1.44 H new ATOM 932 N GLY A 407 -1.495 -2.713 17.109 1.00 21.51 N ATOM 933 CA GLY A 407 -2.483 -2.260 16.145 1.00 63.23 C ATOM 934 C GLY A 407 -2.831 -0.787 16.367 1.00 3.04 C ATOM 935 O GLY A 407 -2.069 -0.054 16.996 1.00 11.22 O ATOM 0 H GLY A 407 -0.579 -2.926 16.713 1.00 21.51 H new ATOM 0 HA2 GLY A 407 -2.100 -2.398 15.134 1.00 63.23 H new ATOM 0 HA3 GLY A 407 -3.384 -2.867 16.230 1.00 63.23 H new ATOM 939 N CYS A 408 -3.982 -0.398 15.840 1.00 42.55 N ATOM 940 CA CYS A 408 -4.440 0.975 15.973 1.00 60.02 C ATOM 941 C CYS A 408 -4.583 1.291 17.463 1.00 74.01 C ATOM 942 O CYS A 408 -5.180 0.517 18.210 1.00 2.55 O ATOM 943 CB CYS A 408 -5.745 1.212 15.211 1.00 74.02 C ATOM 944 SG CYS A 408 -6.122 2.968 14.861 1.00 45.33 S ATOM 0 H CYS A 408 -4.612 -1.009 15.320 1.00 42.55 H new ATOM 0 HA CYS A 408 -3.709 1.650 15.528 1.00 60.02 H new ATOM 0 HB2 CYS A 408 -5.702 0.669 14.267 1.00 74.02 H new ATOM 0 HB3 CYS A 408 -6.567 0.786 15.786 1.00 74.02 H new ATOM 0 HG CYS A 408 -7.176 3.043 14.104 1.00 45.33 H new ATOM 949 N PRO A 409 -4.012 2.459 17.860 1.00 2.23 N ATOM 950 CA PRO A 409 -4.070 2.887 19.248 1.00 51.04 C ATOM 951 C PRO A 409 -5.464 3.408 19.603 1.00 52.24 C ATOM 952 O PRO A 409 -5.708 3.816 20.737 1.00 31.12 O ATOM 953 CB PRO A 409 -2.989 3.947 19.378 1.00 24.03 C ATOM 954 CG PRO A 409 -2.681 4.405 17.962 1.00 3.11 C ATOM 955 CD PRO A 409 -3.297 3.400 17.003 1.00 53.33 C ATOM 0 HA PRO A 409 -3.894 2.070 19.948 1.00 51.04 H new ATOM 0 HB2 PRO A 409 -3.331 4.780 19.992 1.00 24.03 H new ATOM 0 HB3 PRO A 409 -2.099 3.540 19.859 1.00 24.03 H new ATOM 0 HG2 PRO A 409 -3.089 5.400 17.786 1.00 3.11 H new ATOM 0 HG3 PRO A 409 -1.604 4.470 17.807 1.00 3.11 H new ATOM 0 HD2 PRO A 409 -3.973 3.887 16.300 1.00 53.33 H new ATOM 0 HD3 PRO A 409 -2.532 2.895 16.413 1.00 53.33 H new ATOM 963 N PHE A 410 -6.342 3.378 18.611 1.00 35.01 N ATOM 964 CA PHE A 410 -7.706 3.842 18.804 1.00 3.14 C ATOM 965 C PHE A 410 -8.639 2.677 19.142 1.00 2.53 C ATOM 966 O PHE A 410 -9.484 2.791 20.029 1.00 43.41 O ATOM 967 CB PHE A 410 -8.155 4.473 17.485 1.00 4.51 C ATOM 968 CG PHE A 410 -7.718 5.930 17.312 1.00 34.20 C ATOM 969 CD1 PHE A 410 -6.397 6.251 17.335 1.00 10.24 C ATOM 970 CD2 PHE A 410 -8.652 6.903 17.135 1.00 62.21 C ATOM 971 CE1 PHE A 410 -5.992 7.603 17.175 1.00 72.32 C ATOM 972 CE2 PHE A 410 -8.247 8.254 16.974 1.00 0.44 C ATOM 973 CZ PHE A 410 -6.926 8.576 16.998 1.00 63.23 C ATOM 0 H PHE A 410 -6.136 3.040 17.671 1.00 35.01 H new ATOM 0 HA PHE A 410 -7.743 4.554 19.629 1.00 3.14 H new ATOM 0 HB2 PHE A 410 -7.757 3.884 16.658 1.00 4.51 H new ATOM 0 HB3 PHE A 410 -9.242 4.420 17.420 1.00 4.51 H new ATOM 0 HD1 PHE A 410 -5.656 5.478 17.475 1.00 10.24 H new ATOM 0 HD2 PHE A 410 -9.701 6.648 17.117 1.00 62.21 H new ATOM 0 HE1 PHE A 410 -4.943 7.858 17.194 1.00 72.32 H new ATOM 0 HE2 PHE A 410 -8.988 9.026 16.832 1.00 0.44 H new ATOM 0 HZ PHE A 410 -6.618 9.604 16.877 1.00 63.23 H new ATOM 983 N CYS A 411 -8.454 1.584 18.418 1.00 73.25 N ATOM 984 CA CYS A 411 -9.269 0.399 18.629 1.00 0.43 C ATOM 985 C CYS A 411 -8.379 -0.697 19.218 1.00 62.04 C ATOM 986 O CYS A 411 -8.797 -1.849 19.328 1.00 41.45 O ATOM 987 CB CYS A 411 -9.955 -0.053 17.339 1.00 62.43 C ATOM 988 SG CYS A 411 -9.150 0.522 15.799 1.00 12.43 S ATOM 0 H CYS A 411 -7.752 1.493 17.684 1.00 73.25 H new ATOM 0 HA CYS A 411 -10.073 0.627 19.329 1.00 0.43 H new ATOM 0 HB2 CYS A 411 -9.994 -1.142 17.327 1.00 62.43 H new ATOM 0 HB3 CYS A 411 -10.985 0.302 17.348 1.00 62.43 H new ATOM 0 HG CYS A 411 -9.813 0.080 14.772 1.00 12.43 H new ATOM 993 N ARG A 412 -7.168 -0.301 19.580 1.00 2.54 N ATOM 994 CA ARG A 412 -6.215 -1.235 20.155 1.00 70.33 C ATOM 995 C ARG A 412 -6.315 -2.592 19.455 1.00 65.04 C ATOM 996 O ARG A 412 -6.059 -3.629 20.064 1.00 31.33 O ATOM 997 CB ARG A 412 -6.462 -1.423 21.653 1.00 53.21 C ATOM 998 CG ARG A 412 -5.842 -0.279 22.458 1.00 31.34 C ATOM 999 CD ARG A 412 -4.324 -0.441 22.561 1.00 32.54 C ATOM 1000 NE ARG A 412 -3.996 -1.716 23.239 1.00 12.30 N ATOM 1001 CZ ARG A 412 -3.902 -1.858 24.578 1.00 31.42 C ATOM 1002 NH1 ARG A 412 -4.111 -0.805 25.396 1.00 43.31 N ATOM 1003 NH2 ARG A 412 -3.603 -3.044 25.076 1.00 1.20 N ATOM 0 H ARG A 412 -6.824 0.655 19.486 1.00 2.54 H new ATOM 0 HA ARG A 412 -5.217 -0.820 20.013 1.00 70.33 H new ATOM 0 HB2 ARG A 412 -7.534 -1.469 21.846 1.00 53.21 H new ATOM 0 HB3 ARG A 412 -6.039 -2.373 21.979 1.00 53.21 H new ATOM 0 HG2 ARG A 412 -6.078 0.674 21.984 1.00 31.34 H new ATOM 0 HG3 ARG A 412 -6.277 -0.255 23.457 1.00 31.34 H new ATOM 0 HD2 ARG A 412 -3.880 -0.424 21.566 1.00 32.54 H new ATOM 0 HD3 ARG A 412 -3.897 0.395 23.115 1.00 32.54 H new ATOM 0 HE ARG A 412 -3.831 -2.538 22.658 1.00 12.30 H new ATOM 0 HH11 ARG A 412 -4.342 0.108 25.004 1.00 43.31 H new ATOM 0 HH12 ARG A 412 -4.038 -0.922 26.407 1.00 43.31 H new ATOM 0 HH21 ARG A 412 -3.447 -3.835 24.451 1.00 1.20 H new ATOM 0 HH22 ARG A 412 -3.528 -3.169 26.086 1.00 1.20 H new ATOM 1016 N CYS A 413 -6.686 -2.541 18.184 1.00 53.50 N ATOM 1017 CA CYS A 413 -6.823 -3.753 17.394 1.00 3.34 C ATOM 1018 C CYS A 413 -6.002 -3.587 16.114 1.00 41.21 C ATOM 1019 O CYS A 413 -5.894 -2.484 15.580 1.00 75.02 O ATOM 1020 CB CYS A 413 -8.289 -4.071 17.095 1.00 10.13 C ATOM 1021 SG CYS A 413 -8.399 -5.459 15.907 1.00 5.53 S ATOM 0 H CYS A 413 -6.896 -1.679 17.681 1.00 53.50 H new ATOM 0 HA CYS A 413 -6.444 -4.604 17.960 1.00 3.34 H new ATOM 0 HB2 CYS A 413 -8.809 -4.329 18.017 1.00 10.13 H new ATOM 0 HB3 CYS A 413 -8.784 -3.191 16.685 1.00 10.13 H new ATOM 0 HG CYS A 413 -9.648 -5.722 15.662 1.00 5.53 H new ATOM 1027 N GLU A 414 -5.444 -4.699 15.658 1.00 1.25 N ATOM 1028 CA GLU A 414 -4.636 -4.690 14.451 1.00 71.43 C ATOM 1029 C GLU A 414 -5.299 -3.828 13.375 1.00 72.44 C ATOM 1030 O GLU A 414 -6.521 -3.685 13.355 1.00 43.23 O ATOM 1031 CB GLU A 414 -4.395 -6.113 13.942 1.00 34.22 C ATOM 1032 CG GLU A 414 -3.496 -6.108 12.704 1.00 20.35 C ATOM 1033 CD GLU A 414 -3.257 -7.531 12.195 1.00 54.05 C ATOM 1034 OE1 GLU A 414 -2.206 -8.123 12.480 1.00 70.55 O ATOM 1035 OE2 GLU A 414 -4.212 -8.021 11.479 1.00 51.25 O ATOM 0 H GLU A 414 -5.536 -5.612 16.103 1.00 1.25 H new ATOM 0 HA GLU A 414 -3.665 -4.255 14.690 1.00 71.43 H new ATOM 0 HB2 GLU A 414 -3.934 -6.711 14.728 1.00 34.22 H new ATOM 0 HB3 GLU A 414 -5.348 -6.583 13.701 1.00 34.22 H new ATOM 0 HG2 GLU A 414 -3.956 -5.509 11.918 1.00 20.35 H new ATOM 0 HG3 GLU A 414 -2.542 -5.639 12.945 1.00 20.35 H new ATOM 1043 N ILE A 415 -4.465 -3.277 12.506 1.00 64.02 N ATOM 1044 CA ILE A 415 -4.955 -2.433 11.429 1.00 23.03 C ATOM 1045 C ILE A 415 -5.038 -3.254 10.141 1.00 44.12 C ATOM 1046 O ILE A 415 -4.247 -4.174 9.935 1.00 53.45 O ATOM 1047 CB ILE A 415 -4.095 -1.174 11.302 1.00 41.20 C ATOM 1048 CG1 ILE A 415 -3.533 -0.754 12.662 1.00 64.14 C ATOM 1049 CG2 ILE A 415 -4.876 -0.042 10.631 1.00 61.34 C ATOM 1050 CD1 ILE A 415 -2.563 0.420 12.515 1.00 41.30 C ATOM 0 H ILE A 415 -3.452 -3.398 12.525 1.00 64.02 H new ATOM 0 HA ILE A 415 -5.963 -2.082 11.649 1.00 23.03 H new ATOM 0 HB ILE A 415 -3.245 -1.405 10.659 1.00 41.20 H new ATOM 0 HG12 ILE A 415 -4.350 -0.474 13.327 1.00 64.14 H new ATOM 0 HG13 ILE A 415 -3.021 -1.598 13.124 1.00 64.14 H new ATOM 0 HG21 ILE A 415 -4.242 0.841 10.553 1.00 61.34 H new ATOM 0 HG22 ILE A 415 -5.186 -0.355 9.634 1.00 61.34 H new ATOM 0 HG23 ILE A 415 -5.757 0.195 11.227 1.00 61.34 H new ATOM 0 HD11 ILE A 415 -2.178 0.699 13.496 1.00 41.30 H new ATOM 0 HD12 ILE A 415 -1.734 0.129 11.869 1.00 41.30 H new ATOM 0 HD13 ILE A 415 -3.085 1.270 12.075 1.00 41.30 H new ATOM 1062 N LYS A 416 -6.002 -2.892 9.307 1.00 2.14 N ATOM 1063 CA LYS A 416 -6.198 -3.583 8.045 1.00 74.43 C ATOM 1064 C LYS A 416 -5.850 -2.640 6.892 1.00 54.32 C ATOM 1065 O LYS A 416 -5.114 -3.013 5.980 1.00 3.22 O ATOM 1066 CB LYS A 416 -7.614 -4.158 7.963 1.00 30.11 C ATOM 1067 CG LYS A 416 -8.068 -4.692 9.323 1.00 32.02 C ATOM 1068 CD LYS A 416 -9.390 -5.453 9.200 1.00 40.30 C ATOM 1069 CE LYS A 416 -9.500 -6.537 10.273 1.00 34.43 C ATOM 1070 NZ LYS A 416 -8.411 -7.528 10.123 1.00 10.01 N ATOM 0 H LYS A 416 -6.656 -2.129 9.481 1.00 2.14 H new ATOM 0 HA LYS A 416 -5.526 -4.438 7.971 1.00 74.43 H new ATOM 0 HB2 LYS A 416 -8.305 -3.387 7.622 1.00 30.11 H new ATOM 0 HB3 LYS A 416 -7.643 -4.960 7.225 1.00 30.11 H new ATOM 0 HG2 LYS A 416 -7.302 -5.350 9.733 1.00 32.02 H new ATOM 0 HG3 LYS A 416 -8.185 -3.864 10.022 1.00 32.02 H new ATOM 0 HD2 LYS A 416 -10.224 -4.758 9.294 1.00 40.30 H new ATOM 0 HD3 LYS A 416 -9.462 -5.906 8.211 1.00 40.30 H new ATOM 0 HE2 LYS A 416 -9.453 -6.083 11.263 1.00 34.43 H new ATOM 0 HE3 LYS A 416 -10.466 -7.036 10.197 1.00 34.43 H new ATOM 0 HZ1 LYS A 416 -8.749 -8.464 10.426 1.00 10.01 H new ATOM 0 HZ2 LYS A 416 -8.117 -7.572 9.126 1.00 10.01 H new ATOM 0 HZ3 LYS A 416 -7.601 -7.245 10.711 1.00 10.01 H new ATOM 1083 N GLY A 417 -6.397 -1.435 6.970 1.00 61.33 N ATOM 1084 CA GLY A 417 -6.153 -0.435 5.944 1.00 35.21 C ATOM 1085 C GLY A 417 -5.415 0.774 6.522 1.00 53.24 C ATOM 1086 O GLY A 417 -5.832 1.335 7.534 1.00 23.53 O ATOM 0 H GLY A 417 -7.008 -1.129 7.727 1.00 61.33 H new ATOM 0 HA2 GLY A 417 -5.565 -0.873 5.137 1.00 35.21 H new ATOM 0 HA3 GLY A 417 -7.100 -0.114 5.511 1.00 35.21 H new ATOM 1090 N THR A 418 -4.332 1.141 5.853 1.00 71.14 N ATOM 1091 CA THR A 418 -3.532 2.274 6.287 1.00 70.53 C ATOM 1092 C THR A 418 -2.808 2.903 5.095 1.00 71.01 C ATOM 1093 O THR A 418 -2.299 2.194 4.228 1.00 2.03 O ATOM 1094 CB THR A 418 -2.585 1.790 7.386 1.00 20.55 C ATOM 1095 OG1 THR A 418 -1.793 0.791 6.748 1.00 12.43 O ATOM 1096 CG2 THR A 418 -3.316 1.032 8.497 1.00 63.21 C ATOM 0 H THR A 418 -3.990 0.674 5.013 1.00 71.14 H new ATOM 0 HA THR A 418 -4.158 3.065 6.702 1.00 70.53 H new ATOM 0 HB THR A 418 -2.060 2.644 7.814 1.00 20.55 H new ATOM 0 HG1 THR A 418 -1.149 0.425 7.390 1.00 12.43 H new ATOM 0 HG21 THR A 418 -2.598 0.711 9.251 1.00 63.21 H new ATOM 0 HG22 THR A 418 -4.057 1.686 8.957 1.00 63.21 H new ATOM 0 HG23 THR A 418 -3.814 0.159 8.075 1.00 63.21 H new ATOM 1104 N GLU A 419 -2.785 4.228 5.090 1.00 74.33 N ATOM 1105 CA GLU A 419 -2.132 4.961 4.019 1.00 72.25 C ATOM 1106 C GLU A 419 -1.969 6.432 4.405 1.00 2.11 C ATOM 1107 O GLU A 419 -2.769 6.970 5.169 1.00 73.43 O ATOM 1108 CB GLU A 419 -2.907 4.821 2.707 1.00 51.42 C ATOM 1109 CG GLU A 419 -4.333 5.358 2.852 1.00 23.45 C ATOM 1110 CD GLU A 419 -5.260 4.296 3.448 1.00 63.35 C ATOM 1111 OE1 GLU A 419 -5.291 3.156 2.959 1.00 14.40 O ATOM 1112 OE2 GLU A 419 -5.964 4.689 4.455 1.00 64.15 O ATOM 0 H GLU A 419 -3.208 4.813 5.811 1.00 74.33 H new ATOM 0 HA GLU A 419 -1.141 4.534 3.865 1.00 72.25 H new ATOM 0 HB2 GLU A 419 -2.389 5.363 1.915 1.00 51.42 H new ATOM 0 HB3 GLU A 419 -2.938 3.773 2.409 1.00 51.42 H new ATOM 0 HG2 GLU A 419 -4.330 6.242 3.489 1.00 23.45 H new ATOM 0 HG3 GLU A 419 -4.709 5.669 1.877 1.00 23.45 H new ATOM 1120 N PRO A 420 -0.899 7.058 3.846 1.00 63.13 N ATOM 1121 CA PRO A 420 -0.620 8.457 4.124 1.00 71.51 C ATOM 1122 C PRO A 420 -1.591 9.369 3.372 1.00 41.30 C ATOM 1123 O PRO A 420 -1.424 9.609 2.177 1.00 31.21 O ATOM 1124 CB PRO A 420 0.828 8.659 3.709 1.00 1.31 C ATOM 1125 CG PRO A 420 1.164 7.498 2.788 1.00 41.15 C ATOM 1126 CD PRO A 420 0.071 6.453 2.937 1.00 74.02 C ATOM 0 HA PRO A 420 -0.758 8.714 5.174 1.00 71.51 H new ATOM 0 HB2 PRO A 420 0.958 9.613 3.198 1.00 1.31 H new ATOM 0 HB3 PRO A 420 1.485 8.671 4.578 1.00 1.31 H new ATOM 0 HG2 PRO A 420 1.229 7.837 1.754 1.00 41.15 H new ATOM 0 HG3 PRO A 420 2.135 7.075 3.046 1.00 41.15 H new ATOM 0 HD2 PRO A 420 -0.383 6.215 1.975 1.00 74.02 H new ATOM 0 HD3 PRO A 420 0.466 5.522 3.342 1.00 74.02 H new ATOM 1134 N ILE A 421 -2.584 9.854 4.103 1.00 21.10 N ATOM 1135 CA ILE A 421 -3.581 10.735 3.520 1.00 15.12 C ATOM 1136 C ILE A 421 -3.322 12.170 3.985 1.00 72.43 C ATOM 1137 O ILE A 421 -2.686 12.387 5.015 1.00 34.10 O ATOM 1138 CB ILE A 421 -4.991 10.232 3.836 1.00 33.32 C ATOM 1139 CG1 ILE A 421 -5.510 10.838 5.142 1.00 72.14 C ATOM 1140 CG2 ILE A 421 -5.036 8.702 3.857 1.00 45.41 C ATOM 1141 CD1 ILE A 421 -6.151 12.205 4.895 1.00 72.04 C ATOM 0 H ILE A 421 -2.719 9.653 5.094 1.00 21.10 H new ATOM 0 HA ILE A 421 -3.502 10.732 2.433 1.00 15.12 H new ATOM 0 HB ILE A 421 -5.658 10.563 3.040 1.00 33.32 H new ATOM 0 HG12 ILE A 421 -6.240 10.166 5.594 1.00 72.14 H new ATOM 0 HG13 ILE A 421 -4.689 10.940 5.851 1.00 72.14 H new ATOM 0 HG21 ILE A 421 -6.049 8.371 4.084 1.00 45.41 H new ATOM 0 HG22 ILE A 421 -4.738 8.316 2.882 1.00 45.41 H new ATOM 0 HG23 ILE A 421 -4.353 8.328 4.620 1.00 45.41 H new ATOM 0 HD11 ILE A 421 -6.512 12.614 5.839 1.00 72.04 H new ATOM 0 HD12 ILE A 421 -5.412 12.881 4.466 1.00 72.04 H new ATOM 0 HD13 ILE A 421 -6.987 12.095 4.204 1.00 72.04 H new ATOM 1153 N ILE A 422 -3.828 13.112 3.202 1.00 22.42 N ATOM 1154 CA ILE A 422 -3.659 14.519 3.520 1.00 1.34 C ATOM 1155 C ILE A 422 -5.025 15.136 3.825 1.00 14.35 C ATOM 1156 O ILE A 422 -5.819 15.376 2.917 1.00 71.21 O ATOM 1157 CB ILE A 422 -2.897 15.234 2.402 1.00 34.22 C ATOM 1158 CG1 ILE A 422 -1.562 14.542 2.119 1.00 34.20 C ATOM 1159 CG2 ILE A 422 -2.716 16.719 2.724 1.00 34.40 C ATOM 1160 CD1 ILE A 422 -0.686 15.396 1.202 1.00 43.55 C ATOM 0 H ILE A 422 -4.355 12.928 2.348 1.00 22.42 H new ATOM 0 HA ILE A 422 -3.049 14.636 4.415 1.00 1.34 H new ATOM 0 HB ILE A 422 -3.491 15.173 1.490 1.00 34.22 H new ATOM 0 HG12 ILE A 422 -1.039 14.355 3.057 1.00 34.20 H new ATOM 0 HG13 ILE A 422 -1.742 13.572 1.656 1.00 34.20 H new ATOM 0 HG21 ILE A 422 -2.172 17.203 1.913 1.00 34.40 H new ATOM 0 HG22 ILE A 422 -3.693 17.189 2.836 1.00 34.40 H new ATOM 0 HG23 ILE A 422 -2.154 16.824 3.652 1.00 34.40 H new ATOM 0 HD11 ILE A 422 0.257 14.881 1.017 1.00 43.55 H new ATOM 0 HD12 ILE A 422 -1.202 15.560 0.256 1.00 43.55 H new ATOM 0 HD13 ILE A 422 -0.488 16.356 1.679 1.00 43.55 H new ATOM 1172 N VAL A 423 -5.258 15.376 5.108 1.00 61.24 N ATOM 1173 CA VAL A 423 -6.515 15.960 5.544 1.00 43.31 C ATOM 1174 C VAL A 423 -6.523 17.452 5.205 1.00 10.33 C ATOM 1175 O VAL A 423 -5.481 18.105 5.234 1.00 23.12 O ATOM 1176 CB VAL A 423 -6.731 15.684 7.033 1.00 13.01 C ATOM 1177 CG1 VAL A 423 -8.097 16.197 7.493 1.00 75.13 C ATOM 1178 CG2 VAL A 423 -6.572 14.194 7.343 1.00 10.21 C ATOM 0 H VAL A 423 -4.597 15.176 5.859 1.00 61.24 H new ATOM 0 HA VAL A 423 -7.353 15.502 5.018 1.00 43.31 H new ATOM 0 HB VAL A 423 -5.965 16.225 7.589 1.00 13.01 H new ATOM 0 HG11 VAL A 423 -8.225 15.988 8.555 1.00 75.13 H new ATOM 0 HG12 VAL A 423 -8.157 17.272 7.325 1.00 75.13 H new ATOM 0 HG13 VAL A 423 -8.883 15.697 6.927 1.00 75.13 H new ATOM 0 HG21 VAL A 423 -6.731 14.025 8.408 1.00 10.21 H new ATOM 0 HG22 VAL A 423 -7.305 13.623 6.772 1.00 10.21 H new ATOM 0 HG23 VAL A 423 -5.567 13.871 7.070 1.00 10.21 H new ATOM 1188 N ASP A 424 -7.711 17.949 4.892 1.00 62.20 N ATOM 1189 CA ASP A 424 -7.869 19.352 4.548 1.00 25.32 C ATOM 1190 C ASP A 424 -8.993 19.956 5.392 1.00 25.13 C ATOM 1191 O ASP A 424 -10.064 19.366 5.519 1.00 32.23 O ATOM 1192 CB ASP A 424 -8.242 19.519 3.074 1.00 32.11 C ATOM 1193 CG ASP A 424 -7.424 18.670 2.099 1.00 22.12 C ATOM 1194 OD1 ASP A 424 -7.466 17.431 2.140 1.00 54.43 O ATOM 1195 OD2 ASP A 424 -6.709 19.340 1.260 1.00 54.12 O ATOM 0 H ASP A 424 -8.573 17.405 4.869 1.00 62.20 H new ATOM 0 HA ASP A 424 -6.921 19.855 4.739 1.00 25.32 H new ATOM 0 HB2 ASP A 424 -9.296 19.271 2.951 1.00 32.11 H new ATOM 0 HB3 ASP A 424 -8.127 20.568 2.803 1.00 32.11 H new ATOM 1201 N PRO A 425 -8.702 21.156 5.962 1.00 23.14 N ATOM 1202 CA PRO A 425 -9.675 21.847 6.791 1.00 74.52 C ATOM 1203 C PRO A 425 -10.773 22.480 5.934 1.00 51.51 C ATOM 1204 O PRO A 425 -10.658 22.533 4.710 1.00 3.45 O ATOM 1205 CB PRO A 425 -8.870 22.869 7.576 1.00 64.24 C ATOM 1206 CG PRO A 425 -7.558 23.031 6.825 1.00 51.44 C ATOM 1207 CD PRO A 425 -7.443 21.884 5.834 1.00 50.41 C ATOM 0 HA PRO A 425 -10.205 21.175 7.466 1.00 74.52 H new ATOM 0 HB2 PRO A 425 -9.402 23.818 7.642 1.00 64.24 H new ATOM 0 HB3 PRO A 425 -8.696 22.529 8.597 1.00 64.24 H new ATOM 0 HG2 PRO A 425 -7.532 23.989 6.305 1.00 51.44 H new ATOM 0 HG3 PRO A 425 -6.717 23.022 7.519 1.00 51.44 H new ATOM 0 HD2 PRO A 425 -7.300 22.251 4.818 1.00 50.41 H new ATOM 0 HD3 PRO A 425 -6.591 21.245 6.065 1.00 50.41 H new ATOM 1215 N PHE A 426 -11.813 22.946 6.610 1.00 21.35 N ATOM 1216 CA PHE A 426 -12.930 23.574 5.927 1.00 53.15 C ATOM 1217 C PHE A 426 -12.462 24.769 5.094 1.00 44.12 C ATOM 1218 O PHE A 426 -11.975 25.758 5.640 1.00 64.22 O ATOM 1219 CB PHE A 426 -13.895 24.067 7.006 1.00 15.23 C ATOM 1220 CG PHE A 426 -14.827 25.189 6.543 1.00 72.11 C ATOM 1221 CD1 PHE A 426 -15.646 24.995 5.475 1.00 71.24 C ATOM 1222 CD2 PHE A 426 -14.837 26.380 7.199 1.00 24.04 C ATOM 1223 CE1 PHE A 426 -16.511 26.036 5.045 1.00 60.25 C ATOM 1224 CE2 PHE A 426 -15.701 27.421 6.769 1.00 33.13 C ATOM 1225 CZ PHE A 426 -16.520 27.227 5.701 1.00 33.10 C ATOM 0 H PHE A 426 -11.905 22.901 7.625 1.00 21.35 H new ATOM 0 HA PHE A 426 -13.403 22.859 5.254 1.00 53.15 H new ATOM 0 HB2 PHE A 426 -14.498 23.227 7.351 1.00 15.23 H new ATOM 0 HB3 PHE A 426 -13.318 24.418 7.862 1.00 15.23 H new ATOM 0 HD1 PHE A 426 -15.639 24.049 4.954 1.00 71.24 H new ATOM 0 HD2 PHE A 426 -14.187 26.534 8.048 1.00 24.04 H new ATOM 0 HE1 PHE A 426 -17.162 25.882 4.197 1.00 60.25 H new ATOM 0 HE2 PHE A 426 -15.708 28.367 7.290 1.00 33.13 H new ATOM 0 HZ PHE A 426 -17.178 28.019 5.374 1.00 33.10 H new