USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 597 hydrogens (8 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 NoAdj-H: A 363 PTR HN2 : A 363 PTR N : A 362 LEU C :(H bumps) USER MOD NoAdj-H: A 363 PTR H : A 363 PTR N : A 362 LEU C :(H bumps) USER MOD NoAdj-H: A 390 HIS HD1 : A 390 HIS ND1 : A1388 ZNZN :(H bumps) USER MOD Set 1.1: A 368 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 374 LYS NZ :NH3+ 159:sc= -7.04! (180deg=-9.29!) USER MOD Set 2.1: A 369 THR OG1 : rot 180:sc= -1.46 USER MOD Set 2.2: A 371 GLN : amide:sc= -4.79! C(o=-6.2!,f=-7.7!) USER MOD Set 3.1: A 356 THR OG1 : rot 158:sc= -1.6 USER MOD Set 3.2: A 359 GLN : amide:sc= -1.24 K(o=-2.8,f=-6.6) USER MOD Single : A 347 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.65) USER MOD Single : A 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 350 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 352 HIS : no HE2:sc= -2.65! C(o=-2.7!,f=-3.6!) USER MOD Single : A 354 LYS NZ :NH3+ -179:sc= 0.00667 (180deg=0.00659) USER MOD Single : A 357 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.15) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 180:sc= 0 USER MOD Single : A 366 MET CE :methyl 151:sc= -1.12 (180deg=-2.9!) USER MOD Single : A 379 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 381 LYS NZ :NH3+ 143:sc= 0.501 (180deg=-1.08) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 MET CE :methyl 158:sc= -4.8! (180deg=-6.67!) USER MOD Single : A 394 THR OG1 : rot 105:sc= 0.0389 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 398 THR OG1 : rot 180:sc= 0 USER MOD Single : A 401 GLN : amide:sc= -2.42! C(o=-2.4!,f=-4.7!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN :FLIP amide:sc= -6.52! C(o=-9.6!,f=-6.5!) USER MOD Single : A 413 CYS SG : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 25:sc= 0.426 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 6.983 19.170 -6.233 1.00 70.33 N ATOM 2 CA GLY A 345 5.696 18.932 -5.602 1.00 72.13 C ATOM 3 C GLY A 345 5.743 17.688 -4.712 1.00 0.50 C ATOM 4 O GLY A 345 6.733 16.959 -4.711 1.00 22.23 O ATOM 0 HA2 GLY A 345 5.413 19.800 -5.006 1.00 72.13 H new ATOM 0 HA3 GLY A 345 4.929 18.808 -6.367 1.00 72.13 H new ATOM 8 N PRO A 346 4.632 17.480 -3.957 1.00 15.05 N ATOM 9 CA PRO A 346 4.537 16.338 -3.064 1.00 31.42 C ATOM 10 C PRO A 346 4.288 15.048 -3.848 1.00 71.22 C ATOM 11 O PRO A 346 4.170 15.074 -5.072 1.00 52.43 O ATOM 12 CB PRO A 346 3.406 16.679 -2.107 1.00 22.41 C ATOM 13 CG PRO A 346 2.607 17.781 -2.782 1.00 51.13 C ATOM 14 CD PRO A 346 3.440 18.323 -3.932 1.00 51.23 C ATOM 0 HA PRO A 346 5.462 16.154 -2.517 1.00 31.42 H new ATOM 0 HB2 PRO A 346 2.782 15.807 -1.913 1.00 22.41 H new ATOM 0 HB3 PRO A 346 3.795 17.012 -1.145 1.00 22.41 H new ATOM 0 HG2 PRO A 346 1.656 17.394 -3.149 1.00 51.13 H new ATOM 0 HG3 PRO A 346 2.375 18.574 -2.071 1.00 51.13 H new ATOM 0 HD2 PRO A 346 2.896 18.268 -4.875 1.00 51.23 H new ATOM 0 HD3 PRO A 346 3.699 19.370 -3.774 1.00 51.23 H new ATOM 22 N HIS A 347 4.215 13.949 -3.111 1.00 42.31 N ATOM 23 CA HIS A 347 3.982 12.652 -3.722 1.00 62.24 C ATOM 24 C HIS A 347 2.553 12.589 -4.265 1.00 10.42 C ATOM 25 O HIS A 347 1.830 13.584 -4.235 1.00 71.04 O ATOM 26 CB HIS A 347 4.292 11.523 -2.737 1.00 2.43 C ATOM 27 CG HIS A 347 5.750 11.132 -2.690 1.00 71.34 C ATOM 28 ND1 HIS A 347 6.576 11.184 -3.800 1.00 32.03 N ATOM 29 CD2 HIS A 347 6.520 10.682 -1.658 1.00 13.51 C ATOM 30 CE1 HIS A 347 7.786 10.781 -3.440 1.00 14.23 C ATOM 31 NE2 HIS A 347 7.749 10.470 -2.112 1.00 54.31 N ATOM 0 H HIS A 347 4.313 13.931 -2.096 1.00 42.31 H new ATOM 0 HA HIS A 347 4.660 12.517 -4.565 1.00 62.24 H new ATOM 0 HB2 HIS A 347 3.976 11.828 -1.739 1.00 2.43 H new ATOM 0 HB3 HIS A 347 3.700 10.648 -3.005 1.00 2.43 H new ATOM 0 HD2 HIS A 347 6.186 10.525 -0.643 1.00 13.51 H new ATOM 0 HE1 HIS A 347 8.650 10.711 -4.085 1.00 14.23 H new ATOM 0 HE2 HIS A 347 8.536 10.131 -1.559 1.00 54.31 H new ATOM 39 N MET A 348 2.188 11.411 -4.747 1.00 64.54 N ATOM 40 CA MET A 348 0.859 11.205 -5.296 1.00 14.13 C ATOM 41 C MET A 348 0.213 9.946 -4.713 1.00 5.25 C ATOM 42 O MET A 348 -0.866 9.542 -5.141 1.00 71.04 O ATOM 43 CB MET A 348 0.948 11.075 -6.817 1.00 62.25 C ATOM 44 CG MET A 348 1.603 9.751 -7.217 1.00 21.12 C ATOM 45 SD MET A 348 2.132 9.821 -8.920 1.00 62.21 S ATOM 46 CE MET A 348 1.851 8.125 -9.402 1.00 13.31 C ATOM 0 H MET A 348 2.790 10.588 -4.769 1.00 64.54 H new ATOM 0 HA MET A 348 0.241 12.063 -5.032 1.00 14.13 H new ATOM 0 HB2 MET A 348 -0.051 11.136 -7.250 1.00 62.25 H new ATOM 0 HB3 MET A 348 1.523 11.907 -7.224 1.00 62.25 H new ATOM 0 HG2 MET A 348 2.457 9.548 -6.571 1.00 21.12 H new ATOM 0 HG3 MET A 348 0.898 8.931 -7.080 1.00 21.12 H new ATOM 0 HE1 MET A 348 2.132 7.992 -10.447 1.00 13.31 H new ATOM 0 HE2 MET A 348 2.453 7.465 -8.778 1.00 13.31 H new ATOM 0 HE3 MET A 348 0.796 7.881 -9.276 1.00 13.31 H new ATOM 56 N GLY A 349 0.902 9.362 -3.744 1.00 24.55 N ATOM 57 CA GLY A 349 0.410 8.157 -3.097 1.00 62.21 C ATOM 58 C GLY A 349 -0.448 8.500 -1.878 1.00 11.40 C ATOM 59 O GLY A 349 -1.110 7.630 -1.315 1.00 22.40 O ATOM 0 H GLY A 349 1.797 9.701 -3.391 1.00 24.55 H new ATOM 0 HA2 GLY A 349 -0.177 7.573 -3.806 1.00 62.21 H new ATOM 0 HA3 GLY A 349 1.251 7.535 -2.791 1.00 62.21 H new ATOM 63 N SER A 350 -0.409 9.771 -1.506 1.00 53.41 N ATOM 64 CA SER A 350 -1.175 10.241 -0.364 1.00 73.30 C ATOM 65 C SER A 350 -2.586 10.636 -0.807 1.00 5.24 C ATOM 66 O SER A 350 -2.772 11.158 -1.905 1.00 21.11 O ATOM 67 CB SER A 350 -0.482 11.422 0.316 1.00 4.53 C ATOM 68 OG SER A 350 0.152 12.284 -0.626 1.00 13.14 O ATOM 0 H SER A 350 0.141 10.490 -1.975 1.00 53.41 H new ATOM 0 HA SER A 350 -1.242 9.429 0.360 1.00 73.30 H new ATOM 0 HB2 SER A 350 -1.214 11.989 0.891 1.00 4.53 H new ATOM 0 HB3 SER A 350 0.260 11.049 1.023 1.00 4.53 H new ATOM 0 HG SER A 350 0.582 13.027 -0.152 1.00 13.14 H new ATOM 74 N ASP A 351 -3.542 10.373 0.071 1.00 33.21 N ATOM 75 CA ASP A 351 -4.930 10.695 -0.215 1.00 70.33 C ATOM 76 C ASP A 351 -5.240 12.101 0.303 1.00 73.54 C ATOM 77 O ASP A 351 -4.361 12.780 0.829 1.00 44.32 O ATOM 78 CB ASP A 351 -5.877 9.715 0.480 1.00 74.01 C ATOM 79 CG ASP A 351 -7.207 9.480 -0.240 1.00 63.42 C ATOM 80 OD1 ASP A 351 -8.182 10.219 -0.039 1.00 23.21 O ATOM 81 OD2 ASP A 351 -7.218 8.475 -1.049 1.00 32.41 O ATOM 0 H ASP A 351 -3.383 9.941 0.981 1.00 33.21 H new ATOM 0 HA ASP A 351 -5.075 10.633 -1.293 1.00 70.33 H new ATOM 0 HB2 ASP A 351 -5.367 8.758 0.592 1.00 74.01 H new ATOM 0 HB3 ASP A 351 -6.085 10.084 1.484 1.00 74.01 H new ATOM 87 N HIS A 352 -6.494 12.495 0.135 1.00 31.33 N ATOM 88 CA HIS A 352 -6.931 13.807 0.579 1.00 15.43 C ATOM 89 C HIS A 352 -8.316 13.697 1.221 1.00 1.12 C ATOM 90 O HIS A 352 -9.168 12.949 0.744 1.00 43.01 O ATOM 91 CB HIS A 352 -6.891 14.812 -0.574 1.00 2.24 C ATOM 92 CG HIS A 352 -5.550 15.483 -0.757 1.00 31.31 C ATOM 93 ND1 HIS A 352 -4.951 16.244 0.232 1.00 53.13 N ATOM 94 CD2 HIS A 352 -4.699 15.497 -1.823 1.00 12.32 C ATOM 95 CE1 HIS A 352 -3.793 16.693 -0.230 1.00 32.53 C ATOM 96 NE2 HIS A 352 -3.639 16.229 -1.503 1.00 40.13 N ATOM 0 H HIS A 352 -7.221 11.929 -0.302 1.00 31.33 H new ATOM 0 HA HIS A 352 -6.246 14.185 1.338 1.00 15.43 H new ATOM 0 HB2 HIS A 352 -7.159 14.300 -1.498 1.00 2.24 H new ATOM 0 HB3 HIS A 352 -7.648 15.577 -0.402 1.00 2.24 H new ATOM 0 HD1 HIS A 352 -5.336 16.428 1.159 1.00 53.13 H new ATOM 0 HD2 HIS A 352 -4.860 14.997 -2.767 1.00 12.32 H new ATOM 0 HE1 HIS A 352 -3.094 17.317 0.307 1.00 32.53 H new ATOM 104 N ILE A 353 -8.497 14.453 2.294 1.00 55.32 N ATOM 105 CA ILE A 353 -9.764 14.450 3.006 1.00 1.12 C ATOM 106 C ILE A 353 -10.228 15.892 3.219 1.00 1.33 C ATOM 107 O ILE A 353 -9.433 16.756 3.589 1.00 74.41 O ATOM 108 CB ILE A 353 -9.648 13.644 4.301 1.00 31.42 C ATOM 109 CG1 ILE A 353 -9.460 12.154 4.005 1.00 53.33 C ATOM 110 CG2 ILE A 353 -10.848 13.899 5.215 1.00 10.14 C ATOM 111 CD1 ILE A 353 -9.459 11.334 5.296 1.00 5.13 C ATOM 0 H ILE A 353 -7.788 15.072 2.688 1.00 55.32 H new ATOM 0 HA ILE A 353 -10.532 13.952 2.415 1.00 1.12 H new ATOM 0 HB ILE A 353 -8.759 13.981 4.834 1.00 31.42 H new ATOM 0 HG12 ILE A 353 -10.259 11.806 3.350 1.00 53.33 H new ATOM 0 HG13 ILE A 353 -8.521 12.001 3.472 1.00 53.33 H new ATOM 0 HG21 ILE A 353 -10.740 13.314 6.128 1.00 10.14 H new ATOM 0 HG22 ILE A 353 -10.895 14.959 5.466 1.00 10.14 H new ATOM 0 HG23 ILE A 353 -11.764 13.606 4.702 1.00 10.14 H new ATOM 0 HD11 ILE A 353 -9.324 10.279 5.057 1.00 5.13 H new ATOM 0 HD12 ILE A 353 -8.644 11.668 5.938 1.00 5.13 H new ATOM 0 HD13 ILE A 353 -10.408 11.470 5.814 1.00 5.13 H new ATOM 123 N LYS A 354 -11.512 16.109 2.977 1.00 34.22 N ATOM 124 CA LYS A 354 -12.092 17.432 3.138 1.00 23.30 C ATOM 125 C LYS A 354 -12.894 17.478 4.440 1.00 23.41 C ATOM 126 O LYS A 354 -13.722 16.605 4.694 1.00 32.31 O ATOM 127 CB LYS A 354 -12.906 17.814 1.900 1.00 2.14 C ATOM 128 CG LYS A 354 -13.605 19.161 2.098 1.00 21.45 C ATOM 129 CD LYS A 354 -12.586 20.298 2.198 1.00 72.11 C ATOM 130 CE LYS A 354 -13.209 21.630 1.778 1.00 55.54 C ATOM 131 NZ LYS A 354 -12.155 22.628 1.489 1.00 23.15 N ATOM 0 H LYS A 354 -12.168 15.391 2.670 1.00 34.22 H new ATOM 0 HA LYS A 354 -11.308 18.184 3.220 1.00 23.30 H new ATOM 0 HB2 LYS A 354 -12.250 17.865 1.031 1.00 2.14 H new ATOM 0 HB3 LYS A 354 -13.648 17.042 1.695 1.00 2.14 H new ATOM 0 HG2 LYS A 354 -14.284 19.348 1.266 1.00 21.45 H new ATOM 0 HG3 LYS A 354 -14.211 19.131 3.003 1.00 21.45 H new ATOM 0 HD2 LYS A 354 -12.217 20.371 3.221 1.00 72.11 H new ATOM 0 HD3 LYS A 354 -11.727 20.078 1.564 1.00 72.11 H new ATOM 0 HE2 LYS A 354 -13.832 21.484 0.895 1.00 55.54 H new ATOM 0 HE3 LYS A 354 -13.860 21.999 2.570 1.00 55.54 H new ATOM 0 HZ1 LYS A 354 -12.596 23.531 1.222 1.00 23.15 H new ATOM 0 HZ2 LYS A 354 -11.567 22.767 2.335 1.00 23.15 H new ATOM 0 HZ3 LYS A 354 -11.560 22.288 0.706 1.00 23.15 H new ATOM 144 N VAL A 355 -12.619 18.505 5.231 1.00 74.23 N ATOM 145 CA VAL A 355 -13.305 18.676 6.500 1.00 31.03 C ATOM 146 C VAL A 355 -14.705 19.238 6.247 1.00 75.10 C ATOM 147 O VAL A 355 -14.955 19.846 5.207 1.00 14.25 O ATOM 148 CB VAL A 355 -12.468 19.554 7.433 1.00 53.11 C ATOM 149 CG1 VAL A 355 -13.328 20.134 8.558 1.00 41.03 C ATOM 150 CG2 VAL A 355 -11.278 18.776 7.998 1.00 74.44 C ATOM 0 H VAL A 355 -11.931 19.227 5.017 1.00 74.23 H new ATOM 0 HA VAL A 355 -13.426 17.715 7.001 1.00 31.03 H new ATOM 0 HB VAL A 355 -12.076 20.386 6.848 1.00 53.11 H new ATOM 0 HG11 VAL A 355 -12.709 20.754 9.207 1.00 41.03 H new ATOM 0 HG12 VAL A 355 -14.126 20.741 8.130 1.00 41.03 H new ATOM 0 HG13 VAL A 355 -13.762 19.321 9.140 1.00 41.03 H new ATOM 0 HG21 VAL A 355 -10.700 19.423 8.658 1.00 74.44 H new ATOM 0 HG22 VAL A 355 -11.640 17.915 8.560 1.00 74.44 H new ATOM 0 HG23 VAL A 355 -10.645 18.434 7.179 1.00 74.44 H new ATOM 160 N THR A 356 -15.582 19.014 7.215 1.00 51.31 N ATOM 161 CA THR A 356 -16.951 19.491 7.110 1.00 62.32 C ATOM 162 C THR A 356 -17.289 20.405 8.289 1.00 51.33 C ATOM 163 O THR A 356 -16.764 20.228 9.387 1.00 51.31 O ATOM 164 CB THR A 356 -17.869 18.272 7.004 1.00 60.55 C ATOM 165 OG1 THR A 356 -17.296 17.326 7.903 1.00 52.22 O ATOM 166 CG2 THR A 356 -17.779 17.588 5.637 1.00 12.25 C ATOM 0 H THR A 356 -15.371 18.509 8.076 1.00 51.31 H new ATOM 0 HA THR A 356 -17.090 20.100 6.217 1.00 62.32 H new ATOM 0 HB THR A 356 -18.899 18.576 7.191 1.00 60.55 H new ATOM 0 HG1 THR A 356 -17.978 16.676 8.172 1.00 52.22 H new ATOM 0 HG21 THR A 356 -18.450 16.729 5.615 1.00 12.25 H new ATOM 0 HG22 THR A 356 -18.067 18.293 4.858 1.00 12.25 H new ATOM 0 HG23 THR A 356 -16.756 17.254 5.464 1.00 12.25 H new ATOM 174 N GLN A 357 -18.164 21.363 8.021 1.00 51.41 N ATOM 175 CA GLN A 357 -18.579 22.306 9.046 1.00 43.11 C ATOM 176 C GLN A 357 -18.942 21.564 10.334 1.00 40.32 C ATOM 177 O GLN A 357 -18.646 22.036 11.431 1.00 70.15 O ATOM 178 CB GLN A 357 -19.748 23.165 8.560 1.00 45.51 C ATOM 179 CG GLN A 357 -19.245 24.435 7.869 1.00 61.42 C ATOM 180 CD GLN A 357 -20.243 25.582 8.036 1.00 72.01 C ATOM 181 OE1 GLN A 357 -20.786 26.111 7.080 1.00 71.12 O ATOM 182 NE2 GLN A 357 -20.454 25.936 9.300 1.00 30.25 N ATOM 0 H GLN A 357 -18.597 21.507 7.109 1.00 51.41 H new ATOM 0 HA GLN A 357 -17.744 22.974 9.257 1.00 43.11 H new ATOM 0 HB2 GLN A 357 -20.364 22.590 7.868 1.00 45.51 H new ATOM 0 HB3 GLN A 357 -20.383 23.433 9.405 1.00 45.51 H new ATOM 0 HG2 GLN A 357 -18.281 24.723 8.288 1.00 61.42 H new ATOM 0 HG3 GLN A 357 -19.086 24.238 6.809 1.00 61.42 H new ATOM 0 HE21 GLN A 357 -19.966 25.451 10.054 1.00 30.25 H new ATOM 0 HE22 GLN A 357 -21.104 26.692 9.516 1.00 30.25 H new ATOM 191 N GLU A 358 -19.578 20.415 10.158 1.00 51.52 N ATOM 192 CA GLU A 358 -19.985 19.604 11.292 1.00 23.24 C ATOM 193 C GLU A 358 -18.768 19.231 12.142 1.00 41.03 C ATOM 194 O GLU A 358 -18.854 19.181 13.368 1.00 40.33 O ATOM 195 CB GLU A 358 -20.735 18.353 10.831 1.00 71.02 C ATOM 196 CG GLU A 358 -20.014 17.682 9.660 1.00 31.20 C ATOM 197 CD GLU A 358 -20.420 16.212 9.536 1.00 31.23 C ATOM 198 OE1 GLU A 358 -19.790 15.456 8.782 1.00 42.01 O ATOM 199 OE2 GLU A 358 -21.429 15.862 10.260 1.00 52.01 O ATOM 0 H GLU A 358 -19.821 20.027 9.247 1.00 51.52 H new ATOM 0 HA GLU A 358 -20.668 20.191 11.907 1.00 23.24 H new ATOM 0 HB2 GLU A 358 -20.822 17.651 11.660 1.00 71.02 H new ATOM 0 HB3 GLU A 358 -21.749 18.621 10.533 1.00 71.02 H new ATOM 0 HG2 GLU A 358 -20.249 18.207 8.734 1.00 31.20 H new ATOM 0 HG3 GLU A 358 -18.936 17.754 9.802 1.00 31.20 H new ATOM 207 N GLN A 359 -17.663 18.979 11.456 1.00 23.41 N ATOM 208 CA GLN A 359 -16.430 18.612 12.132 1.00 21.23 C ATOM 209 C GLN A 359 -15.803 19.840 12.796 1.00 30.50 C ATOM 210 O GLN A 359 -15.733 19.919 14.021 1.00 2.15 O ATOM 211 CB GLN A 359 -15.448 17.952 11.162 1.00 31.43 C ATOM 212 CG GLN A 359 -16.062 16.702 10.527 1.00 44.44 C ATOM 213 CD GLN A 359 -15.192 16.188 9.378 1.00 43.44 C ATOM 214 OE1 GLN A 359 -14.163 16.753 9.043 1.00 30.31 O ATOM 215 NE2 GLN A 359 -15.660 15.089 8.794 1.00 34.12 N ATOM 0 H GLN A 359 -17.596 19.022 10.439 1.00 23.41 H new ATOM 0 HA GLN A 359 -16.667 17.884 12.908 1.00 21.23 H new ATOM 0 HB2 GLN A 359 -15.169 18.661 10.382 1.00 31.43 H new ATOM 0 HB3 GLN A 359 -14.533 17.684 11.691 1.00 31.43 H new ATOM 0 HG2 GLN A 359 -16.172 15.923 11.281 1.00 44.44 H new ATOM 0 HG3 GLN A 359 -17.061 16.931 10.157 1.00 44.44 H new ATOM 0 HE21 GLN A 359 -16.528 14.666 9.124 1.00 34.12 H new ATOM 0 HE22 GLN A 359 -15.151 14.669 8.016 1.00 34.12 H new ATOM 224 N TYR A 360 -15.363 20.766 11.957 1.00 14.24 N ATOM 225 CA TYR A 360 -14.745 21.986 12.448 1.00 43.24 C ATOM 226 C TYR A 360 -15.492 22.528 13.668 1.00 62.10 C ATOM 227 O TYR A 360 -14.925 22.622 14.756 1.00 75.51 O ATOM 228 CB TYR A 360 -14.852 23.001 11.307 1.00 24.34 C ATOM 229 CG TYR A 360 -13.943 24.221 11.473 1.00 71.43 C ATOM 230 CD1 TYR A 360 -12.633 24.056 11.874 1.00 40.11 C ATOM 231 CD2 TYR A 360 -14.434 25.486 11.221 1.00 61.23 C ATOM 232 CE1 TYR A 360 -11.778 25.204 12.030 1.00 40.35 C ATOM 233 CE2 TYR A 360 -13.579 26.634 11.376 1.00 20.03 C ATOM 234 CZ TYR A 360 -12.293 26.437 11.773 1.00 32.41 C ATOM 235 OH TYR A 360 -11.486 27.521 11.920 1.00 23.01 O ATOM 0 H TYR A 360 -15.422 20.696 10.941 1.00 14.24 H new ATOM 0 HA TYR A 360 -13.714 21.800 12.748 1.00 43.24 H new ATOM 0 HB2 TYR A 360 -14.608 22.504 10.368 1.00 24.34 H new ATOM 0 HB3 TYR A 360 -15.886 23.338 11.230 1.00 24.34 H new ATOM 0 HD1 TYR A 360 -12.249 23.066 12.071 1.00 40.11 H new ATOM 0 HD2 TYR A 360 -15.459 25.615 10.908 1.00 61.23 H new ATOM 0 HE1 TYR A 360 -10.751 25.089 12.344 1.00 40.35 H new ATOM 0 HE2 TYR A 360 -13.950 27.629 11.181 1.00 20.03 H new ATOM 0 HH TYR A 360 -11.987 28.334 11.701 1.00 23.01 H new ATOM 245 N GLU A 361 -16.752 22.870 13.446 1.00 13.52 N ATOM 246 CA GLU A 361 -17.583 23.400 14.514 1.00 1.33 C ATOM 247 C GLU A 361 -17.479 22.514 15.757 1.00 73.41 C ATOM 248 O GLU A 361 -17.266 23.010 16.862 1.00 63.11 O ATOM 249 CB GLU A 361 -19.037 23.540 14.060 1.00 31.11 C ATOM 250 CG GLU A 361 -19.190 24.683 13.055 1.00 13.41 C ATOM 251 CD GLU A 361 -19.387 26.021 13.772 1.00 61.31 C ATOM 252 OE1 GLU A 361 -19.873 26.047 14.912 1.00 10.24 O ATOM 253 OE2 GLU A 361 -19.013 27.058 13.102 1.00 14.35 O ATOM 0 H GLU A 361 -17.218 22.791 12.542 1.00 13.52 H new ATOM 0 HA GLU A 361 -17.220 24.395 14.770 1.00 1.33 H new ATOM 0 HB2 GLU A 361 -19.372 22.606 13.608 1.00 31.11 H new ATOM 0 HB3 GLU A 361 -19.676 23.723 14.924 1.00 31.11 H new ATOM 0 HG2 GLU A 361 -18.306 24.734 12.419 1.00 13.41 H new ATOM 0 HG3 GLU A 361 -20.041 24.487 12.403 1.00 13.41 H new ATOM 261 N LEU A 362 -17.635 21.217 15.534 1.00 35.01 N ATOM 262 CA LEU A 362 -17.562 20.257 16.622 1.00 32.50 C ATOM 263 C LEU A 362 -16.197 20.368 17.304 1.00 13.42 C ATOM 264 O LEU A 362 -16.051 20.160 18.509 1.00 10.11 O ATOM 265 CB LEU A 362 -17.884 18.849 16.116 1.00 25.34 C ATOM 266 CG LEU A 362 -17.860 17.737 17.167 1.00 20.13 C ATOM 267 CD1 LEU A 362 -18.805 16.597 16.781 1.00 10.53 C ATOM 268 CD2 LEU A 362 -16.433 17.241 17.409 1.00 1.00 C ATOM 0 H LEU A 362 -17.812 20.809 14.616 1.00 35.01 H new ATOM 0 HA LEU A 362 -18.315 20.480 17.378 1.00 32.50 H new ATOM 0 HB2 LEU A 362 -18.872 18.867 15.657 1.00 25.34 H new ATOM 0 HB3 LEU A 362 -17.172 18.595 15.331 1.00 25.34 H new ATOM 0 HG LEU A 362 -18.221 18.150 18.109 1.00 20.13 H new ATOM 0 HD11 LEU A 362 -18.769 15.820 17.545 1.00 10.53 H new ATOM 0 HD12 LEU A 362 -19.823 16.979 16.700 1.00 10.53 H new ATOM 0 HD13 LEU A 362 -18.498 16.178 15.823 1.00 10.53 H new ATOM 0 HD21 LEU A 362 -16.445 16.451 18.160 1.00 1.00 H new ATOM 0 HD22 LEU A 362 -16.021 16.851 16.479 1.00 1.00 H new ATOM 0 HD23 LEU A 362 -15.815 18.067 17.761 1.00 1.00 H new HETATM 280 N PTR A 363 -15.194 20.705 16.500 1.00 25.45 N HETATM 281 CA PTR A 363 -13.831 20.850 17.000 1.00 54.34 C HETATM 282 C PTR A 363 -13.600 22.256 17.545 1.00 61.42 C HETATM 283 O PTR A 363 -12.633 22.466 18.275 1.00 44.52 O HETATM 284 CB PTR A 363 -12.824 20.550 15.888 1.00 73.14 C HETATM 285 CG PTR A 363 -12.651 19.074 15.610 1.00 62.44 C HETATM 286 CD1 PTR A 363 -11.385 18.512 15.502 1.00 23.11 C HETATM 287 CD2 PTR A 363 -13.753 18.243 15.455 1.00 33.44 C HETATM 288 CE1 PTR A 363 -11.223 17.164 15.248 1.00 62.30 C HETATM 289 CE2 PTR A 363 -13.599 16.893 15.202 1.00 50.32 C HETATM 290 CZ PTR A 363 -12.332 16.359 15.099 1.00 51.11 C HETATM 291 OH PTR A 363 -12.168 14.953 14.834 1.00 23.11 O HETATM 292 P PTR A 363 -11.330 14.013 15.868 1.00 12.43 P HETATM 293 O1P PTR A 363 -12.238 12.836 16.186 1.00 63.12 O HETATM 294 O2P PTR A 363 -11.045 14.884 17.081 1.00 10.44 O HETATM 295 O3P PTR A 363 -10.068 13.602 15.127 1.00 12.42 O HETATM 0 HE2 PTR A 363 -14.474 16.254 15.085 1.00 50.32 H new HETATM 0 HE1 PTR A 363 -10.223 16.739 15.166 1.00 62.30 H new HETATM 0 HD2 PTR A 363 -14.756 18.662 15.534 1.00 33.44 H new HETATM 0 HD1 PTR A 363 -10.505 19.145 15.620 1.00 23.11 H new HETATM 0 HB3 PTR A 363 -13.146 21.048 14.974 1.00 73.14 H new HETATM 0 HB2 PTR A 363 -11.858 20.976 16.160 1.00 73.14 H new HETATM 0 HA PTR A 363 -13.689 20.136 17.812 1.00 54.34 H new ATOM 304 N CYS A 364 -14.482 23.176 17.183 1.00 63.20 N ATOM 305 CA CYS A 364 -14.361 24.549 17.642 1.00 52.33 C ATOM 306 C CYS A 364 -14.609 24.575 19.151 1.00 13.12 C ATOM 307 O CYS A 364 -14.103 25.450 19.852 1.00 24.42 O ATOM 308 CB CYS A 364 -15.313 25.482 16.891 1.00 55.13 C ATOM 309 SG CYS A 364 -14.492 26.143 15.395 1.00 71.31 S ATOM 0 H CYS A 364 -15.283 22.997 16.577 1.00 63.20 H new ATOM 0 HA CYS A 364 -13.357 24.917 17.434 1.00 52.33 H new ATOM 0 HB2 CYS A 364 -16.218 24.943 16.611 1.00 55.13 H new ATOM 0 HB3 CYS A 364 -15.619 26.302 17.540 1.00 55.13 H new ATOM 0 HG CYS A 364 -15.310 26.932 14.764 1.00 71.31 H new ATOM 315 N GLU A 365 -15.389 23.606 19.607 1.00 23.42 N ATOM 316 CA GLU A 365 -15.710 23.506 21.021 1.00 52.22 C ATOM 317 C GLU A 365 -14.529 22.916 21.794 1.00 42.05 C ATOM 318 O GLU A 365 -14.539 22.888 23.023 1.00 22.22 O ATOM 319 CB GLU A 365 -16.977 22.676 21.238 1.00 41.20 C ATOM 320 CG GLU A 365 -18.228 23.484 20.888 1.00 14.15 C ATOM 321 CD GLU A 365 -18.535 24.518 21.974 1.00 25.22 C ATOM 322 OE1 GLU A 365 -17.706 24.741 22.869 1.00 3.00 O ATOM 323 OE2 GLU A 365 -19.681 25.100 21.865 1.00 5.01 O ATOM 0 H GLU A 365 -15.808 22.883 19.022 1.00 23.42 H new ATOM 0 HA GLU A 365 -15.902 24.509 21.401 1.00 52.22 H new ATOM 0 HB2 GLU A 365 -16.937 21.777 20.623 1.00 41.20 H new ATOM 0 HB3 GLU A 365 -17.029 22.350 22.277 1.00 41.20 H new ATOM 0 HG2 GLU A 365 -18.084 23.987 19.932 1.00 14.15 H new ATOM 0 HG3 GLU A 365 -19.078 22.812 20.770 1.00 14.15 H new ATOM 331 N MET A 366 -13.539 22.459 21.040 1.00 11.24 N ATOM 332 CA MET A 366 -12.353 21.871 21.639 1.00 1.42 C ATOM 333 C MET A 366 -11.181 22.855 21.615 1.00 53.15 C ATOM 334 O MET A 366 -10.316 22.818 22.488 1.00 33.13 O ATOM 335 CB MET A 366 -11.970 20.602 20.875 1.00 55.41 C ATOM 336 CG MET A 366 -13.216 19.854 20.396 1.00 14.14 C ATOM 337 SD MET A 366 -14.177 19.308 21.798 1.00 2.34 S ATOM 338 CE MET A 366 -15.672 18.797 20.969 1.00 35.32 C ATOM 0 H MET A 366 -13.534 22.484 20.020 1.00 11.24 H new ATOM 0 HA MET A 366 -12.577 21.627 22.677 1.00 1.42 H new ATOM 0 HB2 MET A 366 -11.346 20.862 20.020 1.00 55.41 H new ATOM 0 HB3 MET A 366 -11.375 19.952 21.517 1.00 55.41 H new ATOM 0 HG2 MET A 366 -13.819 20.504 19.762 1.00 14.14 H new ATOM 0 HG3 MET A 366 -12.925 18.997 19.788 1.00 14.14 H new ATOM 0 HE1 MET A 366 -16.150 18.000 21.539 1.00 35.32 H new ATOM 0 HE2 MET A 366 -16.353 19.645 20.891 1.00 35.32 H new ATOM 0 HE3 MET A 366 -15.428 18.434 19.971 1.00 35.32 H new ATOM 348 N GLY A 367 -11.191 23.712 20.604 1.00 22.01 N ATOM 349 CA GLY A 367 -10.140 24.704 20.454 1.00 23.10 C ATOM 350 C GLY A 367 -8.986 24.157 19.611 1.00 51.24 C ATOM 351 O GLY A 367 -7.835 24.549 19.798 1.00 54.21 O ATOM 0 H GLY A 367 -11.910 23.740 19.881 1.00 22.01 H new ATOM 0 HA2 GLY A 367 -10.545 25.600 19.984 1.00 23.10 H new ATOM 0 HA3 GLY A 367 -9.770 24.998 21.436 1.00 23.10 H new ATOM 355 N SER A 368 -9.334 23.260 18.700 1.00 55.32 N ATOM 356 CA SER A 368 -8.342 22.656 17.827 1.00 35.31 C ATOM 357 C SER A 368 -8.943 22.414 16.441 1.00 71.32 C ATOM 358 O SER A 368 -10.079 22.805 16.175 1.00 4.04 O ATOM 359 CB SER A 368 -7.818 21.344 18.415 1.00 51.13 C ATOM 360 OG SER A 368 -8.807 20.674 19.192 1.00 53.05 O ATOM 0 H SER A 368 -10.289 22.937 18.548 1.00 55.32 H new ATOM 0 HA SER A 368 -7.501 23.344 17.736 1.00 35.31 H new ATOM 0 HB2 SER A 368 -7.488 20.691 17.607 1.00 51.13 H new ATOM 0 HB3 SER A 368 -6.946 21.548 19.036 1.00 51.13 H new ATOM 0 HG SER A 368 -8.434 19.841 19.548 1.00 53.05 H new ATOM 366 N THR A 369 -8.154 21.770 15.593 1.00 20.14 N ATOM 367 CA THR A 369 -8.594 21.471 14.241 1.00 5.01 C ATOM 368 C THR A 369 -8.620 19.959 14.011 1.00 72.30 C ATOM 369 O THR A 369 -8.083 19.196 14.812 1.00 32.35 O ATOM 370 CB THR A 369 -7.676 22.217 13.270 1.00 14.31 C ATOM 371 OG1 THR A 369 -6.480 21.444 13.259 1.00 4.02 O ATOM 372 CG2 THR A 369 -7.235 23.579 13.811 1.00 53.04 C ATOM 0 H THR A 369 -7.213 21.447 15.816 1.00 20.14 H new ATOM 0 HA THR A 369 -9.616 21.812 14.073 1.00 5.01 H new ATOM 0 HB THR A 369 -8.189 22.353 12.318 1.00 14.31 H new ATOM 0 HG1 THR A 369 -5.830 21.856 12.653 1.00 4.02 H new ATOM 0 HG21 THR A 369 -6.586 24.066 13.084 1.00 53.04 H new ATOM 0 HG22 THR A 369 -8.112 24.201 13.989 1.00 53.04 H new ATOM 0 HG23 THR A 369 -6.693 23.441 14.746 1.00 53.04 H new ATOM 380 N PHE A 370 -9.251 19.571 12.912 1.00 22.43 N ATOM 381 CA PHE A 370 -9.355 18.163 12.567 1.00 44.14 C ATOM 382 C PHE A 370 -8.001 17.606 12.122 1.00 5.34 C ATOM 383 O PHE A 370 -7.430 16.745 12.790 1.00 34.20 O ATOM 384 CB PHE A 370 -10.342 18.060 11.402 1.00 2.32 C ATOM 385 CG PHE A 370 -10.643 16.625 10.967 1.00 63.34 C ATOM 386 CD1 PHE A 370 -11.131 15.729 11.866 1.00 13.41 C ATOM 387 CD2 PHE A 370 -10.422 16.244 9.680 1.00 43.13 C ATOM 388 CE1 PHE A 370 -11.411 14.397 11.462 1.00 43.22 C ATOM 389 CE2 PHE A 370 -10.701 14.912 9.275 1.00 30.04 C ATOM 390 CZ PHE A 370 -11.190 14.017 10.175 1.00 63.41 C ATOM 0 H PHE A 370 -9.695 20.207 12.249 1.00 22.43 H new ATOM 0 HA PHE A 370 -9.686 17.591 13.434 1.00 44.14 H new ATOM 0 HB2 PHE A 370 -11.275 18.546 11.686 1.00 2.32 H new ATOM 0 HB3 PHE A 370 -9.942 18.611 10.551 1.00 2.32 H new ATOM 0 HD1 PHE A 370 -11.306 16.031 12.888 1.00 13.41 H new ATOM 0 HD2 PHE A 370 -10.034 16.955 8.966 1.00 43.13 H new ATOM 0 HE1 PHE A 370 -11.799 13.686 12.176 1.00 43.22 H new ATOM 0 HE2 PHE A 370 -10.525 14.610 8.253 1.00 30.04 H new ATOM 0 HZ PHE A 370 -11.403 13.004 9.867 1.00 63.41 H new ATOM 400 N GLN A 371 -7.525 18.121 10.998 1.00 0.10 N ATOM 401 CA GLN A 371 -6.249 17.686 10.457 1.00 44.12 C ATOM 402 C GLN A 371 -5.208 17.576 11.573 1.00 13.14 C ATOM 403 O GLN A 371 -4.265 16.793 11.473 1.00 34.31 O ATOM 404 CB GLN A 371 -5.770 18.631 9.353 1.00 12.51 C ATOM 405 CG GLN A 371 -5.750 20.081 9.843 1.00 21.31 C ATOM 406 CD GLN A 371 -7.069 20.787 9.522 1.00 21.42 C ATOM 407 OE1 GLN A 371 -7.301 21.252 8.419 1.00 51.14 O ATOM 408 NE2 GLN A 371 -7.917 20.840 10.545 1.00 30.42 N ATOM 0 H GLN A 371 -8.000 18.836 10.447 1.00 0.10 H new ATOM 0 HA GLN A 371 -6.383 16.700 10.013 1.00 44.12 H new ATOM 0 HB2 GLN A 371 -4.771 18.339 9.028 1.00 12.51 H new ATOM 0 HB3 GLN A 371 -6.425 18.545 8.486 1.00 12.51 H new ATOM 0 HG2 GLN A 371 -5.574 20.103 10.919 1.00 21.31 H new ATOM 0 HG3 GLN A 371 -4.924 20.616 9.374 1.00 21.31 H new ATOM 0 HE21 GLN A 371 -7.659 20.430 11.443 1.00 30.42 H new ATOM 0 HE22 GLN A 371 -8.825 21.290 10.432 1.00 30.42 H new ATOM 417 N LEU A 372 -5.415 18.372 12.612 1.00 51.52 N ATOM 418 CA LEU A 372 -4.507 18.374 13.746 1.00 1.41 C ATOM 419 C LEU A 372 -4.729 17.107 14.574 1.00 71.01 C ATOM 420 O LEU A 372 -5.856 16.693 14.845 1.00 23.31 O ATOM 421 CB LEU A 372 -4.656 19.668 14.550 1.00 70.23 C ATOM 422 CG LEU A 372 -4.046 19.660 15.953 1.00 62.22 C ATOM 423 CD1 LEU A 372 -5.002 19.022 16.963 1.00 65.54 C ATOM 424 CD2 LEU A 372 -2.676 18.979 15.951 1.00 44.11 C ATOM 0 H LEU A 372 -6.199 19.020 12.692 1.00 51.52 H new ATOM 0 HA LEU A 372 -3.472 18.355 13.405 1.00 1.41 H new ATOM 0 HB2 LEU A 372 -4.201 20.480 13.982 1.00 70.23 H new ATOM 0 HB3 LEU A 372 -5.718 19.897 14.638 1.00 70.23 H new ATOM 0 HG LEU A 372 -3.892 20.693 16.264 1.00 62.22 H new ATOM 0 HD11 LEU A 372 -4.544 19.029 17.952 1.00 65.54 H new ATOM 0 HD12 LEU A 372 -5.933 19.588 16.990 1.00 65.54 H new ATOM 0 HD13 LEU A 372 -5.211 17.994 16.667 1.00 65.54 H new ATOM 0 HD21 LEU A 372 -2.264 18.987 16.960 1.00 44.11 H new ATOM 0 HD22 LEU A 372 -2.782 17.949 15.610 1.00 44.11 H new ATOM 0 HD23 LEU A 372 -2.004 19.515 15.281 1.00 44.11 H new ATOM 436 N CYS A 373 -3.619 16.495 14.973 1.00 24.21 N ATOM 437 CA CYS A 373 -3.662 15.274 15.769 1.00 4.43 C ATOM 438 C CYS A 373 -4.201 15.556 17.169 1.00 60.22 C ATOM 439 O CYS A 373 -3.731 16.489 17.819 1.00 71.55 O ATOM 440 CB CYS A 373 -2.267 14.653 15.864 1.00 32.41 C ATOM 441 SG CYS A 373 -1.053 15.683 16.750 1.00 62.34 S ATOM 0 H CYS A 373 -2.678 16.825 14.758 1.00 24.21 H new ATOM 0 HA CYS A 373 -4.333 14.571 15.275 1.00 4.43 H new ATOM 0 HB2 CYS A 373 -2.344 13.688 16.366 1.00 32.41 H new ATOM 0 HB3 CYS A 373 -1.898 14.460 14.857 1.00 32.41 H new ATOM 446 N LYS A 374 -5.165 14.754 17.597 1.00 64.53 N ATOM 447 CA LYS A 374 -5.754 14.928 18.913 1.00 13.12 C ATOM 448 C LYS A 374 -5.017 14.042 19.919 1.00 4.11 C ATOM 449 O LYS A 374 -5.611 13.567 20.886 1.00 44.12 O ATOM 450 CB LYS A 374 -7.263 14.677 18.862 1.00 24.44 C ATOM 451 CG LYS A 374 -7.924 15.526 17.775 1.00 2.54 C ATOM 452 CD LYS A 374 -7.653 17.015 18.003 1.00 51.11 C ATOM 453 CE LYS A 374 -8.528 17.877 17.090 1.00 3.13 C ATOM 454 NZ LYS A 374 -9.899 17.983 17.636 1.00 75.21 N ATOM 0 H LYS A 374 -5.553 13.982 17.055 1.00 64.53 H new ATOM 0 HA LYS A 374 -5.636 15.958 19.249 1.00 13.12 H new ATOM 0 HB2 LYS A 374 -7.453 13.621 18.670 1.00 24.44 H new ATOM 0 HB3 LYS A 374 -7.707 14.910 19.830 1.00 24.44 H new ATOM 0 HG2 LYS A 374 -7.546 15.229 16.797 1.00 2.54 H new ATOM 0 HG3 LYS A 374 -8.999 15.345 17.770 1.00 2.54 H new ATOM 0 HD2 LYS A 374 -7.848 17.269 19.045 1.00 51.11 H new ATOM 0 HD3 LYS A 374 -6.601 17.230 17.814 1.00 51.11 H new ATOM 0 HE2 LYS A 374 -8.092 18.871 16.991 1.00 3.13 H new ATOM 0 HE3 LYS A 374 -8.561 17.442 16.091 1.00 3.13 H new ATOM 0 HZ1 LYS A 374 -10.368 18.820 17.235 1.00 75.21 H new ATOM 0 HZ2 LYS A 374 -10.439 17.130 17.386 1.00 75.21 H new ATOM 0 HZ3 LYS A 374 -9.854 18.073 18.671 1.00 75.21 H new ATOM 467 N ILE A 375 -3.733 13.847 19.657 1.00 23.40 N ATOM 468 CA ILE A 375 -2.908 13.026 20.527 1.00 3.14 C ATOM 469 C ILE A 375 -1.877 13.912 21.229 1.00 24.04 C ATOM 470 O ILE A 375 -1.848 13.984 22.457 1.00 0.00 O ATOM 471 CB ILE A 375 -2.290 11.866 19.743 1.00 11.53 C ATOM 472 CG1 ILE A 375 -3.364 10.872 19.297 1.00 14.52 C ATOM 473 CG2 ILE A 375 -1.181 11.188 20.550 1.00 11.12 C ATOM 474 CD1 ILE A 375 -2.732 9.613 18.702 1.00 34.52 C ATOM 0 H ILE A 375 -3.244 14.243 18.855 1.00 23.40 H new ATOM 0 HA ILE A 375 -3.516 12.565 21.305 1.00 3.14 H new ATOM 0 HB ILE A 375 -1.831 12.270 18.841 1.00 11.53 H new ATOM 0 HG12 ILE A 375 -3.990 10.602 20.147 1.00 14.52 H new ATOM 0 HG13 ILE A 375 -4.014 11.341 18.558 1.00 14.52 H new ATOM 0 HG21 ILE A 375 -0.759 10.367 19.970 1.00 11.12 H new ATOM 0 HG22 ILE A 375 -0.399 11.913 20.775 1.00 11.12 H new ATOM 0 HG23 ILE A 375 -1.594 10.800 21.481 1.00 11.12 H new ATOM 0 HD11 ILE A 375 -3.517 8.923 18.393 1.00 34.52 H new ATOM 0 HD12 ILE A 375 -2.126 9.884 17.837 1.00 34.52 H new ATOM 0 HD13 ILE A 375 -2.102 9.134 19.451 1.00 34.52 H new ATOM 486 N CYS A 376 -1.055 14.564 20.420 1.00 11.11 N ATOM 487 CA CYS A 376 -0.025 15.442 20.948 1.00 0.42 C ATOM 488 C CYS A 376 -0.441 16.889 20.676 1.00 52.22 C ATOM 489 O CYS A 376 0.023 17.809 21.348 1.00 54.24 O ATOM 490 CB CYS A 376 1.349 15.123 20.356 1.00 21.41 C ATOM 491 SG CYS A 376 1.707 13.338 20.167 1.00 20.05 S ATOM 0 H CYS A 376 -1.081 14.502 19.402 1.00 11.11 H new ATOM 0 HA CYS A 376 0.071 15.288 22.023 1.00 0.42 H new ATOM 0 HB2 CYS A 376 1.428 15.601 19.379 1.00 21.41 H new ATOM 0 HB3 CYS A 376 2.115 15.568 20.991 1.00 21.41 H new ATOM 496 N ALA A 377 -1.311 17.045 19.689 1.00 14.10 N ATOM 497 CA ALA A 377 -1.795 18.364 19.320 1.00 54.55 C ATOM 498 C ALA A 377 -0.603 19.276 19.022 1.00 22.43 C ATOM 499 O ALA A 377 -0.603 20.447 19.398 1.00 54.15 O ATOM 500 CB ALA A 377 -2.685 18.914 20.437 1.00 64.31 C ATOM 0 H ALA A 377 -1.693 16.280 19.134 1.00 14.10 H new ATOM 0 HA ALA A 377 -2.402 18.310 18.417 1.00 54.55 H new ATOM 0 HB1 ALA A 377 -3.048 19.904 20.159 1.00 64.31 H new ATOM 0 HB2 ALA A 377 -3.533 18.246 20.589 1.00 64.31 H new ATOM 0 HB3 ALA A 377 -2.109 18.984 21.360 1.00 64.31 H new ATOM 506 N GLU A 378 0.386 18.703 18.351 1.00 14.11 N ATOM 507 CA GLU A 378 1.582 19.449 17.999 1.00 11.12 C ATOM 508 C GLU A 378 1.781 19.449 16.482 1.00 33.22 C ATOM 509 O GLU A 378 2.160 20.465 15.902 1.00 23.21 O ATOM 510 CB GLU A 378 2.811 18.883 18.713 1.00 11.13 C ATOM 511 CG GLU A 378 2.988 19.524 20.091 1.00 1.12 C ATOM 512 CD GLU A 378 4.445 19.443 20.550 1.00 4.12 C ATOM 513 OE1 GLU A 378 5.324 19.064 19.761 1.00 33.44 O ATOM 514 OE2 GLU A 378 4.652 19.793 21.775 1.00 74.33 O ATOM 0 H GLU A 378 0.383 17.731 18.042 1.00 14.11 H new ATOM 0 HA GLU A 378 1.453 20.480 18.329 1.00 11.12 H new ATOM 0 HB2 GLU A 378 2.708 17.803 18.821 1.00 11.13 H new ATOM 0 HB3 GLU A 378 3.701 19.060 18.109 1.00 11.13 H new ATOM 0 HG2 GLU A 378 2.672 20.567 20.054 1.00 1.12 H new ATOM 0 HG3 GLU A 378 2.346 19.022 20.815 1.00 1.12 H new ATOM 522 N ASN A 379 1.515 18.297 15.883 1.00 41.41 N ATOM 523 CA ASN A 379 1.660 18.151 14.444 1.00 1.55 C ATOM 524 C ASN A 379 0.335 17.670 13.849 1.00 44.20 C ATOM 525 O ASN A 379 -0.634 17.456 14.575 1.00 71.30 O ATOM 526 CB ASN A 379 2.736 17.119 14.101 1.00 35.12 C ATOM 527 CG ASN A 379 4.037 17.413 14.850 1.00 41.35 C ATOM 528 OD1 ASN A 379 4.409 18.553 15.076 1.00 42.02 O ATOM 529 ND2 ASN A 379 4.706 16.325 15.220 1.00 44.33 N ATOM 0 H ASN A 379 1.200 17.457 16.368 1.00 41.41 H new ATOM 0 HA ASN A 379 1.946 19.119 14.033 1.00 1.55 H new ATOM 0 HB2 ASN A 379 2.382 16.121 14.358 1.00 35.12 H new ATOM 0 HB3 ASN A 379 2.921 17.125 13.027 1.00 35.12 H new ATOM 0 HD21 ASN A 379 5.587 16.416 15.725 1.00 44.33 H new ATOM 0 HD22 ASN A 379 4.338 15.400 14.999 1.00 44.33 H new ATOM 536 N ASP A 380 0.337 17.515 12.533 1.00 33.32 N ATOM 537 CA ASP A 380 -0.853 17.063 11.832 1.00 60.21 C ATOM 538 C ASP A 380 -0.849 15.534 11.762 1.00 42.40 C ATOM 539 O ASP A 380 0.174 14.901 12.017 1.00 61.41 O ATOM 540 CB ASP A 380 -0.886 17.601 10.400 1.00 13.53 C ATOM 541 CG ASP A 380 0.466 17.620 9.685 1.00 72.44 C ATOM 542 OD1 ASP A 380 1.483 17.168 10.230 1.00 24.42 O ATOM 543 OD2 ASP A 380 0.449 18.132 8.501 1.00 61.44 O ATOM 0 H ASP A 380 1.143 17.694 11.934 1.00 33.32 H new ATOM 0 HA ASP A 380 -1.724 17.429 12.376 1.00 60.21 H new ATOM 0 HB2 ASP A 380 -1.580 16.996 9.817 1.00 13.53 H new ATOM 0 HB3 ASP A 380 -1.285 18.615 10.418 1.00 13.53 H new ATOM 549 N LYS A 381 -2.004 14.987 11.415 1.00 32.42 N ATOM 550 CA LYS A 381 -2.147 13.545 11.309 1.00 63.55 C ATOM 551 C LYS A 381 -1.289 13.036 10.148 1.00 53.23 C ATOM 552 O LYS A 381 -0.359 12.258 10.353 1.00 72.13 O ATOM 553 CB LYS A 381 -3.623 13.159 11.198 1.00 71.33 C ATOM 554 CG LYS A 381 -4.434 13.757 12.349 1.00 51.01 C ATOM 555 CD LYS A 381 -5.825 14.185 11.875 1.00 4.35 C ATOM 556 CE LYS A 381 -6.830 14.152 13.028 1.00 75.22 C ATOM 557 NZ LYS A 381 -8.209 14.321 12.517 1.00 13.12 N ATOM 0 H LYS A 381 -2.850 15.516 11.204 1.00 32.42 H new ATOM 0 HA LYS A 381 -1.782 13.059 12.214 1.00 63.55 H new ATOM 0 HB2 LYS A 381 -4.023 13.508 10.246 1.00 71.33 H new ATOM 0 HB3 LYS A 381 -3.720 12.073 11.205 1.00 71.33 H new ATOM 0 HG2 LYS A 381 -4.528 13.025 13.151 1.00 51.01 H new ATOM 0 HG3 LYS A 381 -3.906 14.616 12.762 1.00 51.01 H new ATOM 0 HD2 LYS A 381 -5.778 15.191 11.458 1.00 4.35 H new ATOM 0 HD3 LYS A 381 -6.161 13.524 11.076 1.00 4.35 H new ATOM 0 HE2 LYS A 381 -6.747 13.206 13.564 1.00 75.22 H new ATOM 0 HE3 LYS A 381 -6.600 14.943 13.741 1.00 75.22 H new ATOM 0 HZ1 LYS A 381 -8.859 13.724 13.068 1.00 13.12 H new ATOM 0 HZ2 LYS A 381 -8.493 15.317 12.607 1.00 13.12 H new ATOM 0 HZ3 LYS A 381 -8.245 14.040 11.516 1.00 13.12 H new ATOM 570 N ASP A 382 -1.633 13.497 8.954 1.00 11.01 N ATOM 571 CA ASP A 382 -0.907 13.099 7.760 1.00 25.24 C ATOM 572 C ASP A 382 -0.994 11.580 7.598 1.00 21.15 C ATOM 573 O ASP A 382 -0.151 10.973 6.939 1.00 34.11 O ATOM 574 CB ASP A 382 0.572 13.479 7.863 1.00 52.11 C ATOM 575 CG ASP A 382 1.354 13.393 6.551 1.00 40.42 C ATOM 576 OD1 ASP A 382 0.795 13.583 5.460 1.00 10.34 O ATOM 577 OD2 ASP A 382 2.607 13.115 6.680 1.00 31.32 O ATOM 0 H ASP A 382 -2.405 14.143 8.788 1.00 11.01 H new ATOM 0 HA ASP A 382 -1.353 13.611 6.907 1.00 25.24 H new ATOM 0 HB2 ASP A 382 0.644 14.497 8.246 1.00 52.11 H new ATOM 0 HB3 ASP A 382 1.049 12.828 8.596 1.00 52.11 H new ATOM 583 N VAL A 383 -2.021 11.010 8.211 1.00 23.44 N ATOM 584 CA VAL A 383 -2.229 9.573 8.143 1.00 11.15 C ATOM 585 C VAL A 383 -3.704 9.263 8.404 1.00 15.33 C ATOM 586 O VAL A 383 -4.484 10.160 8.723 1.00 22.13 O ATOM 587 CB VAL A 383 -1.288 8.861 9.117 1.00 44.20 C ATOM 588 CG1 VAL A 383 -1.947 8.684 10.486 1.00 23.42 C ATOM 589 CG2 VAL A 383 -0.828 7.516 8.551 1.00 53.13 C ATOM 0 H VAL A 383 -2.718 11.517 8.757 1.00 23.44 H new ATOM 0 HA VAL A 383 -1.989 9.199 7.148 1.00 11.15 H new ATOM 0 HB VAL A 383 -0.406 9.488 9.249 1.00 44.20 H new ATOM 0 HG11 VAL A 383 -1.257 8.175 11.159 1.00 23.42 H new ATOM 0 HG12 VAL A 383 -2.201 9.661 10.897 1.00 23.42 H new ATOM 0 HG13 VAL A 383 -2.854 8.089 10.379 1.00 23.42 H new ATOM 0 HG21 VAL A 383 -0.160 7.031 9.263 1.00 53.13 H new ATOM 0 HG22 VAL A 383 -1.695 6.880 8.375 1.00 53.13 H new ATOM 0 HG23 VAL A 383 -0.300 7.678 7.611 1.00 53.13 H new ATOM 599 N LYS A 384 -4.044 7.991 8.259 1.00 64.22 N ATOM 600 CA LYS A 384 -5.412 7.551 8.475 1.00 43.54 C ATOM 601 C LYS A 384 -5.420 6.050 8.770 1.00 52.24 C ATOM 602 O LYS A 384 -4.478 5.340 8.421 1.00 12.22 O ATOM 603 CB LYS A 384 -6.296 7.951 7.291 1.00 24.33 C ATOM 604 CG LYS A 384 -7.591 7.136 7.275 1.00 43.02 C ATOM 605 CD LYS A 384 -8.411 7.436 6.019 1.00 54.30 C ATOM 606 CE LYS A 384 -9.880 7.057 6.220 1.00 1.01 C ATOM 607 NZ LYS A 384 -10.643 7.257 4.968 1.00 51.31 N ATOM 0 H LYS A 384 -3.395 7.250 7.994 1.00 64.22 H new ATOM 0 HA LYS A 384 -5.840 8.049 9.345 1.00 43.54 H new ATOM 0 HB2 LYS A 384 -6.531 9.014 7.351 1.00 24.33 H new ATOM 0 HB3 LYS A 384 -5.753 7.797 6.358 1.00 24.33 H new ATOM 0 HG2 LYS A 384 -7.356 6.072 7.315 1.00 43.02 H new ATOM 0 HG3 LYS A 384 -8.181 7.366 8.162 1.00 43.02 H new ATOM 0 HD2 LYS A 384 -8.335 8.496 5.775 1.00 54.30 H new ATOM 0 HD3 LYS A 384 -8.002 6.884 5.173 1.00 54.30 H new ATOM 0 HE2 LYS A 384 -9.953 6.016 6.535 1.00 1.01 H new ATOM 0 HE3 LYS A 384 -10.312 7.662 7.017 1.00 1.01 H new ATOM 0 HZ1 LYS A 384 -11.638 6.995 5.122 1.00 51.31 H new ATOM 0 HZ2 LYS A 384 -10.588 8.256 4.684 1.00 51.31 H new ATOM 0 HZ3 LYS A 384 -10.240 6.661 4.217 1.00 51.31 H new ATOM 620 N ILE A 385 -6.495 5.611 9.409 1.00 45.33 N ATOM 621 CA ILE A 385 -6.638 4.207 9.755 1.00 51.34 C ATOM 622 C ILE A 385 -7.869 3.636 9.049 1.00 74.03 C ATOM 623 O ILE A 385 -8.872 4.329 8.883 1.00 43.45 O ATOM 624 CB ILE A 385 -6.662 4.030 11.274 1.00 35.50 C ATOM 625 CG1 ILE A 385 -5.480 4.747 11.929 1.00 71.40 C ATOM 626 CG2 ILE A 385 -6.715 2.548 11.652 1.00 60.21 C ATOM 627 CD1 ILE A 385 -4.168 4.014 11.643 1.00 22.21 C ATOM 0 H ILE A 385 -7.275 6.203 9.696 1.00 45.33 H new ATOM 0 HA ILE A 385 -5.777 3.638 9.405 1.00 51.34 H new ATOM 0 HB ILE A 385 -7.571 4.493 11.658 1.00 35.50 H new ATOM 0 HG12 ILE A 385 -5.418 5.769 11.556 1.00 71.40 H new ATOM 0 HG13 ILE A 385 -5.639 4.809 13.006 1.00 71.40 H new ATOM 0 HG21 ILE A 385 -6.731 2.450 12.737 1.00 60.21 H new ATOM 0 HG22 ILE A 385 -7.615 2.098 11.233 1.00 60.21 H new ATOM 0 HG23 ILE A 385 -5.836 2.040 11.255 1.00 60.21 H new ATOM 0 HD11 ILE A 385 -3.344 4.544 12.120 1.00 22.21 H new ATOM 0 HD12 ILE A 385 -4.224 3.000 12.038 1.00 22.21 H new ATOM 0 HD13 ILE A 385 -4.000 3.975 10.567 1.00 22.21 H new ATOM 639 N GLU A 386 -7.754 2.377 8.652 1.00 2.04 N ATOM 640 CA GLU A 386 -8.845 1.705 7.968 1.00 32.42 C ATOM 641 C GLU A 386 -9.018 0.285 8.512 1.00 14.14 C ATOM 642 O GLU A 386 -8.117 -0.252 9.154 1.00 1.21 O ATOM 643 CB GLU A 386 -8.617 1.688 6.456 1.00 64.24 C ATOM 644 CG GLU A 386 -9.465 2.755 5.761 1.00 42.01 C ATOM 645 CD GLU A 386 -9.776 2.354 4.318 1.00 74.03 C ATOM 646 OE1 GLU A 386 -9.153 2.875 3.381 1.00 24.31 O ATOM 647 OE2 GLU A 386 -10.703 1.466 4.186 1.00 13.45 O ATOM 0 H GLU A 386 -6.921 1.805 8.791 1.00 2.04 H new ATOM 0 HA GLU A 386 -9.763 2.261 8.157 1.00 32.42 H new ATOM 0 HB2 GLU A 386 -7.562 1.860 6.242 1.00 64.24 H new ATOM 0 HB3 GLU A 386 -8.866 0.704 6.058 1.00 64.24 H new ATOM 0 HG2 GLU A 386 -10.395 2.900 6.310 1.00 42.01 H new ATOM 0 HG3 GLU A 386 -8.937 3.708 5.771 1.00 42.01 H new ATOM 655 N PRO A 387 -10.214 -0.297 8.229 1.00 72.44 N ATOM 656 CA PRO A 387 -11.227 0.408 7.463 1.00 53.34 C ATOM 657 C PRO A 387 -11.912 1.479 8.314 1.00 2.23 C ATOM 658 O PRO A 387 -12.617 2.357 7.818 1.00 75.32 O ATOM 659 CB PRO A 387 -12.184 -0.673 6.986 1.00 43.53 C ATOM 660 CG PRO A 387 -11.935 -1.874 7.883 1.00 73.33 C ATOM 661 CD PRO A 387 -10.632 -1.638 8.628 1.00 62.10 C ATOM 0 HA PRO A 387 -10.810 0.953 6.617 1.00 53.34 H new ATOM 0 HB2 PRO A 387 -13.219 -0.339 7.059 1.00 43.53 H new ATOM 0 HB3 PRO A 387 -12.003 -0.922 5.940 1.00 43.53 H new ATOM 0 HG2 PRO A 387 -12.758 -2.003 8.586 1.00 73.33 H new ATOM 0 HG3 PRO A 387 -11.876 -2.787 7.291 1.00 73.33 H new ATOM 0 HD2 PRO A 387 -10.775 -1.704 9.707 1.00 62.10 H new ATOM 0 HD3 PRO A 387 -9.882 -2.383 8.360 1.00 62.10 H new ATOM 669 N CYS A 388 -11.685 1.387 9.621 1.00 15.21 N ATOM 670 CA CYS A 388 -12.267 2.332 10.567 1.00 44.34 C ATOM 671 C CYS A 388 -12.310 3.738 9.975 1.00 43.22 C ATOM 672 O CYS A 388 -13.338 4.127 9.423 1.00 43.52 O ATOM 673 CB CYS A 388 -11.466 2.340 11.870 1.00 45.52 C ATOM 674 SG CYS A 388 -9.700 1.942 11.659 1.00 10.53 S ATOM 0 H CYS A 388 -11.102 0.667 10.049 1.00 15.21 H new ATOM 0 HA CYS A 388 -13.288 2.014 10.778 1.00 44.34 H new ATOM 0 HB2 CYS A 388 -11.553 3.323 12.332 1.00 45.52 H new ATOM 0 HB3 CYS A 388 -11.909 1.623 12.561 1.00 45.52 H new ATOM 679 N GLY A 389 -11.206 4.461 10.102 1.00 73.55 N ATOM 680 CA GLY A 389 -11.133 5.814 9.577 1.00 71.52 C ATOM 681 C GLY A 389 -10.645 6.791 10.648 1.00 51.34 C ATOM 682 O GLY A 389 -11.170 7.897 10.769 1.00 1.11 O ATOM 0 H GLY A 389 -10.355 4.135 10.561 1.00 73.55 H new ATOM 0 HA2 GLY A 389 -10.458 5.840 8.721 1.00 71.52 H new ATOM 0 HA3 GLY A 389 -12.115 6.122 9.218 1.00 71.52 H new ATOM 686 N HIS A 390 -9.646 6.348 11.397 1.00 13.30 N ATOM 687 CA HIS A 390 -9.082 7.171 12.454 1.00 63.43 C ATOM 688 C HIS A 390 -7.822 7.871 11.941 1.00 50.41 C ATOM 689 O HIS A 390 -7.007 7.263 11.248 1.00 11.55 O ATOM 690 CB HIS A 390 -8.827 6.338 13.712 1.00 44.41 C ATOM 691 CG HIS A 390 -10.025 5.547 14.178 1.00 72.30 C ATOM 692 ND1 HIS A 390 -10.014 4.168 14.293 1.00 72.41 N ATOM 693 CD2 HIS A 390 -11.270 5.955 14.557 1.00 31.15 C ATOM 694 CE1 HIS A 390 -11.204 3.774 14.722 1.00 53.11 C ATOM 695 NE2 HIS A 390 -11.981 4.883 14.885 1.00 54.22 N ATOM 0 H HIS A 390 -9.213 5.430 11.293 1.00 13.30 H new ATOM 0 HA HIS A 390 -9.795 7.945 12.739 1.00 63.43 H new ATOM 0 HB2 HIS A 390 -8.003 5.651 13.519 1.00 44.41 H new ATOM 0 HB3 HIS A 390 -8.507 7.001 14.516 1.00 44.41 H new ATOM 0 HD2 HIS A 390 -11.618 6.977 14.585 1.00 31.15 H new ATOM 0 HE1 HIS A 390 -11.506 2.754 14.910 1.00 53.11 H new ATOM 0 HE2 HIS A 390 -12.949 4.888 15.206 1.00 54.22 H new ATOM 703 N LEU A 391 -7.702 9.141 12.301 1.00 60.23 N ATOM 704 CA LEU A 391 -6.555 9.931 11.886 1.00 54.23 C ATOM 705 C LEU A 391 -5.629 10.145 13.084 1.00 5.40 C ATOM 706 O LEU A 391 -6.083 10.179 14.227 1.00 41.24 O ATOM 707 CB LEU A 391 -7.013 11.232 11.222 1.00 60.50 C ATOM 708 CG LEU A 391 -8.347 11.170 10.475 1.00 62.02 C ATOM 709 CD1 LEU A 391 -8.377 9.989 9.503 1.00 21.42 C ATOM 710 CD2 LEU A 391 -9.522 11.137 11.454 1.00 54.35 C ATOM 0 H LEU A 391 -8.380 9.642 12.875 1.00 60.23 H new ATOM 0 HA LEU A 391 -5.979 9.399 11.129 1.00 54.23 H new ATOM 0 HB2 LEU A 391 -7.084 12.003 11.989 1.00 60.50 H new ATOM 0 HB3 LEU A 391 -6.241 11.550 10.521 1.00 60.50 H new ATOM 0 HG LEU A 391 -8.448 12.078 9.881 1.00 62.02 H new ATOM 0 HD11 LEU A 391 -9.336 9.968 8.985 1.00 21.42 H new ATOM 0 HD12 LEU A 391 -7.574 10.097 8.774 1.00 21.42 H new ATOM 0 HD13 LEU A 391 -8.243 9.059 10.056 1.00 21.42 H new ATOM 0 HD21 LEU A 391 -10.458 11.093 10.897 1.00 54.35 H new ATOM 0 HD22 LEU A 391 -9.438 10.258 12.093 1.00 54.35 H new ATOM 0 HD23 LEU A 391 -9.508 12.036 12.070 1.00 54.35 H new ATOM 722 N MET A 392 -4.346 10.285 12.782 1.00 30.51 N ATOM 723 CA MET A 392 -3.351 10.495 13.820 1.00 32.51 C ATOM 724 C MET A 392 -2.014 10.931 13.218 1.00 11.20 C ATOM 725 O MET A 392 -1.808 10.823 12.010 1.00 15.21 O ATOM 726 CB MET A 392 -3.157 9.199 14.611 1.00 44.15 C ATOM 727 CG MET A 392 -2.429 8.148 13.770 1.00 41.02 C ATOM 728 SD MET A 392 -2.517 6.556 14.573 1.00 42.33 S ATOM 729 CE MET A 392 -4.288 6.348 14.656 1.00 43.41 C ATOM 0 H MET A 392 -3.973 10.257 11.833 1.00 30.51 H new ATOM 0 HA MET A 392 -3.705 11.286 14.482 1.00 32.51 H new ATOM 0 HB2 MET A 392 -2.587 9.404 15.517 1.00 44.15 H new ATOM 0 HB3 MET A 392 -4.126 8.811 14.925 1.00 44.15 H new ATOM 0 HG2 MET A 392 -2.877 8.090 12.778 1.00 41.02 H new ATOM 0 HG3 MET A 392 -1.387 8.438 13.632 1.00 41.02 H new ATOM 0 HE1 MET A 392 -4.526 5.289 14.757 1.00 43.41 H new ATOM 0 HE2 MET A 392 -4.678 6.891 15.517 1.00 43.41 H new ATOM 0 HE3 MET A 392 -4.743 6.737 13.745 1.00 43.41 H new ATOM 739 N CYS A 393 -1.140 11.415 14.088 1.00 42.22 N ATOM 740 CA CYS A 393 0.172 11.869 13.657 1.00 32.41 C ATOM 741 C CYS A 393 1.141 10.688 13.746 1.00 41.24 C ATOM 742 O CYS A 393 1.285 10.077 14.803 1.00 61.50 O ATOM 743 CB CYS A 393 0.654 13.066 14.478 1.00 2.02 C ATOM 744 SG CYS A 393 0.568 12.837 16.292 1.00 42.52 S ATOM 0 H CYS A 393 -1.314 11.503 15.089 1.00 42.22 H new ATOM 0 HA CYS A 393 0.119 12.218 12.626 1.00 32.41 H new ATOM 0 HB2 CYS A 393 1.685 13.286 14.202 1.00 2.02 H new ATOM 0 HB3 CYS A 393 0.058 13.938 14.207 1.00 2.02 H new ATOM 749 N THR A 394 1.781 10.403 12.621 1.00 51.51 N ATOM 750 CA THR A 394 2.733 9.307 12.558 1.00 15.21 C ATOM 751 C THR A 394 3.703 9.375 13.739 1.00 41.32 C ATOM 752 O THR A 394 3.819 8.422 14.508 1.00 52.32 O ATOM 753 CB THR A 394 3.428 9.362 11.196 1.00 35.22 C ATOM 754 OG1 THR A 394 2.360 9.536 10.268 1.00 21.24 O ATOM 755 CG2 THR A 394 4.049 8.020 10.802 1.00 41.43 C ATOM 0 H THR A 394 1.659 10.912 11.746 1.00 51.51 H new ATOM 0 HA THR A 394 2.233 8.343 12.644 1.00 15.21 H new ATOM 0 HB THR A 394 4.202 10.129 11.214 1.00 35.22 H new ATOM 0 HG1 THR A 394 2.349 10.464 9.952 1.00 21.24 H new ATOM 0 HG21 THR A 394 4.529 8.113 9.828 1.00 41.43 H new ATOM 0 HG22 THR A 394 4.791 7.730 11.546 1.00 41.43 H new ATOM 0 HG23 THR A 394 3.270 7.260 10.751 1.00 41.43 H new ATOM 763 N SER A 395 4.376 10.512 13.845 1.00 21.44 N ATOM 764 CA SER A 395 5.333 10.717 14.919 1.00 21.44 C ATOM 765 C SER A 395 4.740 10.241 16.247 1.00 34.10 C ATOM 766 O SER A 395 5.473 9.854 17.156 1.00 72.55 O ATOM 767 CB SER A 395 5.743 12.187 15.018 1.00 4.21 C ATOM 768 OG SER A 395 6.763 12.521 14.080 1.00 0.12 O ATOM 0 H SER A 395 4.277 11.300 13.205 1.00 21.44 H new ATOM 0 HA SER A 395 6.226 10.133 14.697 1.00 21.44 H new ATOM 0 HB2 SER A 395 4.872 12.819 14.846 1.00 4.21 H new ATOM 0 HB3 SER A 395 6.096 12.398 16.028 1.00 4.21 H new ATOM 0 HG SER A 395 6.996 13.468 14.174 1.00 0.12 H new ATOM 774 N CYS A 396 3.417 10.286 16.317 1.00 23.22 N ATOM 775 CA CYS A 396 2.717 9.864 17.518 1.00 11.25 C ATOM 776 C CYS A 396 2.561 8.343 17.475 1.00 65.21 C ATOM 777 O CYS A 396 2.914 7.652 18.430 1.00 72.35 O ATOM 778 CB CYS A 396 1.368 10.572 17.665 1.00 63.33 C ATOM 779 SG CYS A 396 1.320 12.276 17.001 1.00 1.50 S ATOM 0 H CYS A 396 2.812 10.608 15.562 1.00 23.22 H new ATOM 0 HA CYS A 396 3.298 10.144 18.397 1.00 11.25 H new ATOM 0 HB2 CYS A 396 0.605 9.979 17.161 1.00 63.33 H new ATOM 0 HB3 CYS A 396 1.102 10.601 18.722 1.00 63.33 H new ATOM 784 N LEU A 397 2.034 7.866 16.357 1.00 35.44 N ATOM 785 CA LEU A 397 1.827 6.439 16.177 1.00 61.41 C ATOM 786 C LEU A 397 3.034 5.679 16.732 1.00 52.04 C ATOM 787 O LEU A 397 2.879 4.766 17.541 1.00 75.55 O ATOM 788 CB LEU A 397 1.522 6.123 14.711 1.00 21.53 C ATOM 789 CG LEU A 397 1.688 4.660 14.292 1.00 54.40 C ATOM 790 CD1 LEU A 397 3.167 4.285 14.183 1.00 52.41 C ATOM 791 CD2 LEU A 397 0.929 3.729 15.239 1.00 14.13 C ATOM 0 H LEU A 397 1.744 8.442 15.567 1.00 35.44 H new ATOM 0 HA LEU A 397 0.954 6.106 16.739 1.00 61.41 H new ATOM 0 HB2 LEU A 397 0.497 6.427 14.500 1.00 21.53 H new ATOM 0 HB3 LEU A 397 2.171 6.736 14.085 1.00 21.53 H new ATOM 0 HG LEU A 397 1.251 4.537 13.301 1.00 54.40 H new ATOM 0 HD11 LEU A 397 3.256 3.241 13.884 1.00 52.41 H new ATOM 0 HD12 LEU A 397 3.649 4.918 13.438 1.00 52.41 H new ATOM 0 HD13 LEU A 397 3.651 4.428 15.149 1.00 52.41 H new ATOM 0 HD21 LEU A 397 1.064 2.696 14.919 1.00 14.13 H new ATOM 0 HD22 LEU A 397 1.314 3.848 16.252 1.00 14.13 H new ATOM 0 HD23 LEU A 397 -0.132 3.979 15.222 1.00 14.13 H new ATOM 803 N THR A 398 4.209 6.085 16.274 1.00 23.24 N ATOM 804 CA THR A 398 5.442 5.454 16.715 1.00 71.22 C ATOM 805 C THR A 398 5.518 5.441 18.243 1.00 61.02 C ATOM 806 O THR A 398 5.902 4.437 18.840 1.00 23.14 O ATOM 807 CB THR A 398 6.611 6.188 16.054 1.00 32.53 C ATOM 808 OG1 THR A 398 6.640 5.670 14.727 1.00 52.21 O ATOM 809 CG2 THR A 398 7.964 5.782 16.642 1.00 70.10 C ATOM 0 H THR A 398 4.334 6.843 15.602 1.00 23.24 H new ATOM 0 HA THR A 398 5.482 4.408 16.411 1.00 71.22 H new ATOM 0 HB THR A 398 6.474 7.264 16.166 1.00 32.53 H new ATOM 0 HG1 THR A 398 7.368 6.093 14.226 1.00 52.21 H new ATOM 0 HG21 THR A 398 8.759 6.331 16.138 1.00 70.10 H new ATOM 0 HG22 THR A 398 7.982 6.013 17.707 1.00 70.10 H new ATOM 0 HG23 THR A 398 8.116 4.712 16.500 1.00 70.10 H new ATOM 817 N ALA A 399 5.146 6.568 18.831 1.00 13.14 N ATOM 818 CA ALA A 399 5.167 6.699 20.278 1.00 10.23 C ATOM 819 C ALA A 399 4.295 5.606 20.898 1.00 35.31 C ATOM 820 O ALA A 399 4.513 5.205 22.040 1.00 11.44 O ATOM 821 CB ALA A 399 4.707 8.105 20.671 1.00 73.45 C ATOM 0 H ALA A 399 4.828 7.399 18.332 1.00 13.14 H new ATOM 0 HA ALA A 399 6.180 6.569 20.660 1.00 10.23 H new ATOM 0 HB1 ALA A 399 4.723 8.203 21.756 1.00 73.45 H new ATOM 0 HB2 ALA A 399 5.377 8.843 20.230 1.00 73.45 H new ATOM 0 HB3 ALA A 399 3.693 8.271 20.307 1.00 73.45 H new ATOM 827 N TRP A 400 3.324 5.154 20.117 1.00 25.40 N ATOM 828 CA TRP A 400 2.418 4.114 20.575 1.00 41.32 C ATOM 829 C TRP A 400 3.072 2.760 20.294 1.00 31.35 C ATOM 830 O TRP A 400 3.355 2.000 21.219 1.00 23.13 O ATOM 831 CB TRP A 400 1.042 4.260 19.922 1.00 1.43 C ATOM 832 CG TRP A 400 0.262 2.949 19.814 1.00 21.41 C ATOM 833 CD1 TRP A 400 -0.038 2.256 18.707 1.00 64.11 C ATOM 834 CD2 TRP A 400 -0.309 2.195 20.905 1.00 43.22 C ATOM 835 NE1 TRP A 400 -0.757 1.116 19.003 1.00 70.23 N ATOM 836 CE2 TRP A 400 -0.927 1.078 20.382 1.00 61.22 C ATOM 837 CE3 TRP A 400 -0.303 2.449 22.288 1.00 44.54 C ATOM 838 CZ2 TRP A 400 -1.585 0.126 21.170 1.00 10.31 C ATOM 839 CZ3 TRP A 400 -0.965 1.489 23.062 1.00 44.03 C ATOM 840 CH2 TRP A 400 -1.592 0.359 22.551 1.00 61.14 C ATOM 0 H TRP A 400 3.145 5.489 19.170 1.00 25.40 H new ATOM 0 HA TRP A 400 2.242 4.200 21.647 1.00 41.32 H new ATOM 0 HB2 TRP A 400 0.453 4.975 20.496 1.00 1.43 H new ATOM 0 HB3 TRP A 400 1.168 4.679 18.924 1.00 1.43 H new ATOM 0 HD1 TRP A 400 0.247 2.553 17.708 1.00 64.11 H new ATOM 0 HE1 TRP A 400 -1.101 0.428 18.333 1.00 70.23 H new ATOM 0 HE3 TRP A 400 0.175 3.316 22.719 1.00 44.54 H new ATOM 0 HZ2 TRP A 400 -2.061 -0.741 20.736 1.00 10.31 H new ATOM 0 HZ3 TRP A 400 -0.990 1.637 24.132 1.00 44.03 H new ATOM 0 HH2 TRP A 400 -2.083 -0.336 23.216 1.00 61.14 H new ATOM 851 N GLN A 401 3.292 2.499 19.014 1.00 23.44 N ATOM 852 CA GLN A 401 3.907 1.249 18.601 1.00 64.14 C ATOM 853 C GLN A 401 5.257 1.065 19.297 1.00 1.33 C ATOM 854 O GLN A 401 5.818 -0.029 19.293 1.00 62.31 O ATOM 855 CB GLN A 401 4.063 1.192 17.080 1.00 62.43 C ATOM 856 CG GLN A 401 2.716 1.392 16.383 1.00 41.34 C ATOM 857 CD GLN A 401 2.163 0.063 15.865 1.00 63.13 C ATOM 858 OE1 GLN A 401 2.871 -0.921 15.724 1.00 3.24 O ATOM 859 NE2 GLN A 401 0.862 0.088 15.589 1.00 4.45 N ATOM 0 H GLN A 401 3.056 3.131 18.249 1.00 23.44 H new ATOM 0 HA GLN A 401 3.253 0.429 18.898 1.00 64.14 H new ATOM 0 HB2 GLN A 401 4.763 1.961 16.754 1.00 62.43 H new ATOM 0 HB3 GLN A 401 4.487 0.231 16.790 1.00 62.43 H new ATOM 0 HG2 GLN A 401 2.006 1.839 17.079 1.00 41.34 H new ATOM 0 HG3 GLN A 401 2.832 2.090 15.554 1.00 41.34 H new ATOM 0 HE21 GLN A 401 0.327 0.945 15.730 1.00 4.45 H new ATOM 0 HE22 GLN A 401 0.399 -0.750 15.237 1.00 4.45 H new ATOM 868 N GLU A 402 5.739 2.153 19.879 1.00 4.53 N ATOM 869 CA GLU A 402 7.013 2.126 20.579 1.00 52.23 C ATOM 870 C GLU A 402 7.187 0.795 21.313 1.00 13.31 C ATOM 871 O GLU A 402 8.095 0.026 21.004 1.00 62.11 O ATOM 872 CB GLU A 402 7.133 3.306 21.546 1.00 75.32 C ATOM 873 CG GLU A 402 8.021 4.406 20.961 1.00 15.14 C ATOM 874 CD GLU A 402 9.495 4.148 21.279 1.00 33.34 C ATOM 875 OE1 GLU A 402 10.271 3.798 20.378 1.00 22.53 O ATOM 876 OE2 GLU A 402 9.825 4.324 22.514 1.00 41.01 O ATOM 0 H GLU A 402 5.271 3.059 19.881 1.00 4.53 H new ATOM 0 HA GLU A 402 7.812 2.220 19.843 1.00 52.23 H new ATOM 0 HB2 GLU A 402 6.143 3.708 21.759 1.00 75.32 H new ATOM 0 HB3 GLU A 402 7.549 2.963 22.494 1.00 75.32 H new ATOM 0 HG2 GLU A 402 7.881 4.455 19.881 1.00 15.14 H new ATOM 0 HG3 GLU A 402 7.722 5.373 21.365 1.00 15.14 H new ATOM 884 N SER A 403 6.301 0.565 22.271 1.00 25.35 N ATOM 885 CA SER A 403 6.346 -0.660 23.052 1.00 12.02 C ATOM 886 C SER A 403 5.027 -1.421 22.907 1.00 75.22 C ATOM 887 O SER A 403 4.985 -2.638 23.082 1.00 2.05 O ATOM 888 CB SER A 403 6.628 -0.363 24.526 1.00 34.34 C ATOM 889 OG SER A 403 6.469 -1.520 25.344 1.00 60.04 O ATOM 0 H SER A 403 5.548 1.205 22.524 1.00 25.35 H new ATOM 0 HA SER A 403 7.159 -1.279 22.672 1.00 12.02 H new ATOM 0 HB2 SER A 403 7.644 0.018 24.631 1.00 34.34 H new ATOM 0 HB3 SER A 403 5.955 0.421 24.873 1.00 34.34 H new ATOM 0 HG SER A 403 6.659 -1.289 26.277 1.00 60.04 H new ATOM 895 N ASP A 404 3.981 -0.673 22.587 1.00 32.24 N ATOM 896 CA ASP A 404 2.664 -1.262 22.416 1.00 35.23 C ATOM 897 C ASP A 404 2.549 -1.845 21.006 1.00 25.23 C ATOM 898 O ASP A 404 2.945 -2.985 20.768 1.00 24.22 O ATOM 899 CB ASP A 404 1.564 -0.211 22.584 1.00 63.34 C ATOM 900 CG ASP A 404 1.224 0.144 24.033 1.00 61.45 C ATOM 901 OD1 ASP A 404 1.415 1.287 24.472 1.00 41.33 O ATOM 902 OD2 ASP A 404 0.737 -0.825 24.731 1.00 74.30 O ATOM 0 H ASP A 404 4.019 0.336 22.442 1.00 32.24 H new ATOM 0 HA ASP A 404 2.541 -2.037 23.173 1.00 35.23 H new ATOM 0 HB2 ASP A 404 1.869 0.698 22.065 1.00 63.34 H new ATOM 0 HB3 ASP A 404 0.660 -0.571 22.092 1.00 63.34 H new ATOM 908 N GLY A 405 2.006 -1.036 20.108 1.00 25.53 N ATOM 909 CA GLY A 405 1.835 -1.458 18.728 1.00 4.22 C ATOM 910 C GLY A 405 0.711 -2.488 18.605 1.00 63.51 C ATOM 911 O GLY A 405 0.748 -3.351 17.728 1.00 1.53 O ATOM 0 H GLY A 405 1.679 -0.091 20.309 1.00 25.53 H new ATOM 0 HA2 GLY A 405 1.610 -0.593 18.105 1.00 4.22 H new ATOM 0 HA3 GLY A 405 2.767 -1.885 18.356 1.00 4.22 H new ATOM 915 N GLN A 406 -0.261 -2.365 19.496 1.00 74.40 N ATOM 916 CA GLN A 406 -1.394 -3.275 19.498 1.00 72.50 C ATOM 917 C GLN A 406 -2.527 -2.715 18.635 1.00 24.40 C ATOM 918 O GLN A 406 -3.555 -2.287 19.156 1.00 33.21 O ATOM 919 CB GLN A 406 -1.875 -3.549 20.924 1.00 15.33 C ATOM 920 CG GLN A 406 -2.523 -4.931 21.029 1.00 23.22 C ATOM 921 CD GLN A 406 -3.576 -5.128 19.937 1.00 0.31 C ATOM 922 OE1 GLN A 406 -4.823 -5.198 20.394 1.00 13.53 O flip ATOM 923 NE2 GLN A 406 -3.276 -5.211 18.757 1.00 1.34 N flip ATOM 0 H GLN A 406 -0.288 -1.649 20.222 1.00 74.40 H new ATOM 0 HA GLN A 406 -1.073 -4.224 19.070 1.00 72.50 H new ATOM 0 HB2 GLN A 406 -1.034 -3.485 21.614 1.00 15.33 H new ATOM 0 HB3 GLN A 406 -2.591 -2.784 21.223 1.00 15.33 H new ATOM 0 HG2 GLN A 406 -1.758 -5.703 20.944 1.00 23.22 H new ATOM 0 HG3 GLN A 406 -2.985 -5.046 22.010 1.00 23.22 H new ATOM 0 HE21 GLN A 406 -2.298 -5.149 18.474 1.00 1.34 H new ATOM 0 HE22 GLN A 406 -4.003 -5.342 18.054 1.00 1.34 H new ATOM 932 N GLY A 407 -2.299 -2.737 17.330 1.00 52.41 N ATOM 933 CA GLY A 407 -3.288 -2.236 16.390 1.00 63.22 C ATOM 934 C GLY A 407 -3.559 -0.748 16.620 1.00 72.22 C ATOM 935 O GLY A 407 -2.823 -0.084 17.348 1.00 64.43 O ATOM 0 H GLY A 407 -1.445 -3.094 16.901 1.00 52.41 H new ATOM 0 HA2 GLY A 407 -2.937 -2.392 15.370 1.00 63.22 H new ATOM 0 HA3 GLY A 407 -4.215 -2.799 16.498 1.00 63.22 H new ATOM 939 N CYS A 408 -4.619 -0.268 15.986 1.00 45.35 N ATOM 940 CA CYS A 408 -4.996 1.130 16.112 1.00 74.31 C ATOM 941 C CYS A 408 -5.186 1.444 17.597 1.00 33.52 C ATOM 942 O CYS A 408 -5.946 0.765 18.286 1.00 12.15 O ATOM 943 CB CYS A 408 -6.249 1.453 15.296 1.00 75.25 C ATOM 944 SG CYS A 408 -6.465 3.224 14.889 1.00 21.01 S ATOM 0 H CYS A 408 -5.228 -0.822 15.384 1.00 45.35 H new ATOM 0 HA CYS A 408 -4.205 1.761 15.706 1.00 74.31 H new ATOM 0 HB2 CYS A 408 -6.218 0.883 14.368 1.00 75.25 H new ATOM 0 HB3 CYS A 408 -7.124 1.113 15.850 1.00 75.25 H new ATOM 949 N PRO A 409 -4.464 2.499 18.058 1.00 0.55 N ATOM 950 CA PRO A 409 -4.545 2.912 19.449 1.00 35.54 C ATOM 951 C PRO A 409 -5.859 3.644 19.728 1.00 15.22 C ATOM 952 O PRO A 409 -6.108 4.074 20.854 1.00 71.24 O ATOM 953 CB PRO A 409 -3.320 3.783 19.674 1.00 34.31 C ATOM 954 CG PRO A 409 -2.850 4.206 18.292 1.00 74.52 C ATOM 955 CD PRO A 409 -3.554 3.326 17.271 1.00 1.00 C ATOM 0 HA PRO A 409 -4.548 2.068 20.138 1.00 35.54 H new ATOM 0 HB2 PRO A 409 -3.565 4.651 20.286 1.00 34.31 H new ATOM 0 HB3 PRO A 409 -2.540 3.232 20.200 1.00 34.31 H new ATOM 0 HG2 PRO A 409 -3.081 5.256 18.115 1.00 74.52 H new ATOM 0 HG3 PRO A 409 -1.769 4.099 18.207 1.00 74.52 H new ATOM 0 HD2 PRO A 409 -4.096 3.925 16.539 1.00 1.00 H new ATOM 0 HD3 PRO A 409 -2.842 2.714 16.718 1.00 1.00 H new ATOM 963 N PHE A 410 -6.666 3.764 18.684 1.00 51.10 N ATOM 964 CA PHE A 410 -7.948 4.437 18.802 1.00 14.13 C ATOM 965 C PHE A 410 -9.072 3.434 19.070 1.00 22.53 C ATOM 966 O PHE A 410 -9.799 3.559 20.054 1.00 31.33 O ATOM 967 CB PHE A 410 -8.212 5.135 17.467 1.00 51.14 C ATOM 968 CG PHE A 410 -7.497 6.479 17.315 1.00 11.31 C ATOM 969 CD1 PHE A 410 -6.190 6.598 17.670 1.00 22.05 C ATOM 970 CD2 PHE A 410 -8.169 7.555 16.825 1.00 10.40 C ATOM 971 CE1 PHE A 410 -5.526 7.846 17.530 1.00 72.52 C ATOM 972 CE2 PHE A 410 -7.505 8.803 16.684 1.00 35.14 C ATOM 973 CZ PHE A 410 -6.198 8.922 17.040 1.00 71.33 C ATOM 0 H PHE A 410 -6.457 3.406 17.752 1.00 51.10 H new ATOM 0 HA PHE A 410 -7.922 5.143 19.632 1.00 14.13 H new ATOM 0 HB2 PHE A 410 -7.901 4.476 16.656 1.00 51.14 H new ATOM 0 HB3 PHE A 410 -9.285 5.291 17.357 1.00 51.14 H new ATOM 0 HD1 PHE A 410 -5.656 5.743 18.059 1.00 22.05 H new ATOM 0 HD2 PHE A 410 -9.207 7.461 16.543 1.00 10.40 H new ATOM 0 HE1 PHE A 410 -4.488 7.940 17.813 1.00 72.52 H new ATOM 0 HE2 PHE A 410 -8.038 9.657 16.294 1.00 35.14 H new ATOM 0 HZ PHE A 410 -5.694 9.871 16.934 1.00 71.33 H new ATOM 983 N CYS A 411 -9.178 2.461 18.177 1.00 32.43 N ATOM 984 CA CYS A 411 -10.201 1.436 18.305 1.00 3.01 C ATOM 985 C CYS A 411 -9.561 0.194 18.928 1.00 22.21 C ATOM 986 O CYS A 411 -10.155 -0.883 18.924 1.00 62.23 O ATOM 987 CB CYS A 411 -10.860 1.125 16.960 1.00 34.42 C ATOM 988 SG CYS A 411 -9.702 0.990 15.550 1.00 20.00 S ATOM 0 H CYS A 411 -8.573 2.360 17.362 1.00 32.43 H new ATOM 0 HA CYS A 411 -11.001 1.795 18.953 1.00 3.01 H new ATOM 0 HB2 CYS A 411 -11.412 0.189 17.050 1.00 34.42 H new ATOM 0 HB3 CYS A 411 -11.589 1.905 16.740 1.00 34.42 H new ATOM 993 N ARG A 412 -8.358 0.385 19.449 1.00 2.22 N ATOM 994 CA ARG A 412 -7.631 -0.706 20.075 1.00 61.42 C ATOM 995 C ARG A 412 -7.844 -2.004 19.292 1.00 40.51 C ATOM 996 O ARG A 412 -7.822 -3.091 19.867 1.00 42.40 O ATOM 997 CB ARG A 412 -8.084 -0.912 21.522 1.00 43.13 C ATOM 998 CG ARG A 412 -7.248 -0.065 22.483 1.00 11.53 C ATOM 999 CD ARG A 412 -5.758 -0.379 22.337 1.00 2.44 C ATOM 1000 NE ARG A 412 -5.565 -1.831 22.126 1.00 41.30 N ATOM 1001 CZ ARG A 412 -5.630 -2.754 23.109 1.00 45.21 C ATOM 1002 NH1 ARG A 412 -5.883 -2.383 24.382 1.00 51.41 N ATOM 1003 NH2 ARG A 412 -5.441 -4.025 22.807 1.00 40.23 N ATOM 0 H ARG A 412 -7.868 1.280 19.450 1.00 2.22 H new ATOM 0 HA ARG A 412 -6.573 -0.444 20.071 1.00 61.42 H new ATOM 0 HB2 ARG A 412 -9.137 -0.646 21.619 1.00 43.13 H new ATOM 0 HB3 ARG A 412 -7.995 -1.965 21.788 1.00 43.13 H new ATOM 0 HG2 ARG A 412 -7.421 0.993 22.286 1.00 11.53 H new ATOM 0 HG3 ARG A 412 -7.564 -0.254 23.509 1.00 11.53 H new ATOM 0 HD2 ARG A 412 -5.341 0.177 21.497 1.00 2.44 H new ATOM 0 HD3 ARG A 412 -5.221 -0.058 23.230 1.00 2.44 H new ATOM 0 HE ARG A 412 -5.371 -2.155 21.178 1.00 41.30 H new ATOM 0 HH11 ARG A 412 -6.027 -1.399 24.607 1.00 51.41 H new ATOM 0 HH12 ARG A 412 -5.930 -3.087 25.119 1.00 51.41 H new ATOM 0 HH21 ARG A 412 -5.249 -4.297 21.843 1.00 40.23 H new ATOM 0 HH22 ARG A 412 -5.487 -4.735 23.538 1.00 40.23 H new ATOM 1016 N CYS A 413 -8.045 -1.846 17.992 1.00 75.21 N ATOM 1017 CA CYS A 413 -8.262 -2.991 17.124 1.00 33.52 C ATOM 1018 C CYS A 413 -7.155 -3.011 16.068 1.00 13.43 C ATOM 1019 O CYS A 413 -6.474 -2.008 15.860 1.00 52.23 O ATOM 1020 CB CYS A 413 -9.655 -2.966 16.491 1.00 41.42 C ATOM 1021 SG CYS A 413 -10.825 -3.933 17.513 1.00 51.34 S ATOM 0 H CYS A 413 -8.062 -0.943 17.519 1.00 75.21 H new ATOM 0 HA CYS A 413 -8.219 -3.908 17.711 1.00 33.52 H new ATOM 0 HB2 CYS A 413 -10.003 -1.937 16.400 1.00 41.42 H new ATOM 0 HB3 CYS A 413 -9.613 -3.379 15.483 1.00 41.42 H new ATOM 0 HG CYS A 413 -12.005 -3.903 16.968 1.00 51.34 H new ATOM 1027 N GLU A 414 -7.010 -4.162 15.430 1.00 31.51 N ATOM 1028 CA GLU A 414 -5.997 -4.325 14.401 1.00 74.41 C ATOM 1029 C GLU A 414 -6.293 -3.406 13.215 1.00 54.54 C ATOM 1030 O GLU A 414 -7.442 -3.029 12.988 1.00 13.33 O ATOM 1031 CB GLU A 414 -5.901 -5.785 13.952 1.00 13.13 C ATOM 1032 CG GLU A 414 -4.453 -6.169 13.641 1.00 13.31 C ATOM 1033 CD GLU A 414 -3.787 -6.823 14.853 1.00 2.21 C ATOM 1034 OE1 GLU A 414 -3.415 -8.004 14.794 1.00 63.15 O ATOM 1035 OE2 GLU A 414 -3.660 -6.058 15.884 1.00 5.01 O ATOM 0 H GLU A 414 -7.577 -4.991 15.605 1.00 31.51 H new ATOM 0 HA GLU A 414 -5.031 -4.044 14.822 1.00 74.41 H new ATOM 0 HB2 GLU A 414 -6.294 -6.436 14.733 1.00 13.13 H new ATOM 0 HB3 GLU A 414 -6.520 -5.939 13.068 1.00 13.13 H new ATOM 0 HG2 GLU A 414 -4.429 -6.855 12.794 1.00 13.31 H new ATOM 0 HG3 GLU A 414 -3.892 -5.281 13.348 1.00 13.31 H new ATOM 1043 N ILE A 415 -5.237 -3.071 12.488 1.00 11.45 N ATOM 1044 CA ILE A 415 -5.369 -2.202 11.331 1.00 34.01 C ATOM 1045 C ILE A 415 -5.263 -3.040 10.055 1.00 11.13 C ATOM 1046 O ILE A 415 -4.493 -3.997 10.000 1.00 60.44 O ATOM 1047 CB ILE A 415 -4.356 -1.058 11.401 1.00 13.45 C ATOM 1048 CG1 ILE A 415 -4.076 -0.662 12.853 1.00 64.33 C ATOM 1049 CG2 ILE A 415 -4.817 0.135 10.561 1.00 13.13 C ATOM 1050 CD1 ILE A 415 -3.085 0.502 12.922 1.00 14.00 C ATOM 0 H ILE A 415 -4.286 -3.386 12.678 1.00 11.45 H new ATOM 0 HA ILE A 415 -6.350 -1.727 11.321 1.00 34.01 H new ATOM 0 HB ILE A 415 -3.416 -1.408 10.975 1.00 13.45 H new ATOM 0 HG12 ILE A 415 -5.008 -0.381 13.343 1.00 64.33 H new ATOM 0 HG13 ILE A 415 -3.676 -1.518 13.397 1.00 64.33 H new ATOM 0 HG21 ILE A 415 -4.079 0.934 10.628 1.00 13.13 H new ATOM 0 HG22 ILE A 415 -4.925 -0.172 9.521 1.00 13.13 H new ATOM 0 HG23 ILE A 415 -5.776 0.494 10.935 1.00 13.13 H new ATOM 0 HD11 ILE A 415 -2.903 0.764 13.964 1.00 14.00 H new ATOM 0 HD12 ILE A 415 -2.146 0.209 12.452 1.00 14.00 H new ATOM 0 HD13 ILE A 415 -3.499 1.364 12.398 1.00 14.00 H new ATOM 1062 N LYS A 416 -6.048 -2.649 9.062 1.00 43.02 N ATOM 1063 CA LYS A 416 -6.051 -3.352 7.790 1.00 35.12 C ATOM 1064 C LYS A 416 -5.407 -2.467 6.721 1.00 32.22 C ATOM 1065 O LYS A 416 -4.567 -2.930 5.951 1.00 53.12 O ATOM 1066 CB LYS A 416 -7.467 -3.812 7.436 1.00 12.15 C ATOM 1067 CG LYS A 416 -8.268 -4.142 8.698 1.00 42.11 C ATOM 1068 CD LYS A 416 -7.711 -5.388 9.390 1.00 12.22 C ATOM 1069 CE LYS A 416 -8.814 -6.135 10.144 1.00 45.24 C ATOM 1070 NZ LYS A 416 -9.377 -7.214 9.302 1.00 51.34 N ATOM 0 H LYS A 416 -6.686 -1.855 9.112 1.00 43.02 H new ATOM 0 HA LYS A 416 -5.452 -4.260 7.855 1.00 35.12 H new ATOM 0 HB2 LYS A 416 -7.976 -3.031 6.871 1.00 12.15 H new ATOM 0 HB3 LYS A 416 -7.418 -4.690 6.792 1.00 12.15 H new ATOM 0 HG2 LYS A 416 -8.237 -3.296 9.384 1.00 42.11 H new ATOM 0 HG3 LYS A 416 -9.314 -4.303 8.438 1.00 42.11 H new ATOM 0 HD2 LYS A 416 -7.260 -6.049 8.650 1.00 12.22 H new ATOM 0 HD3 LYS A 416 -6.921 -5.101 10.084 1.00 12.22 H new ATOM 0 HE2 LYS A 416 -8.412 -6.557 11.065 1.00 45.24 H new ATOM 0 HE3 LYS A 416 -9.603 -5.439 10.430 1.00 45.24 H new ATOM 0 HZ1 LYS A 416 -10.124 -7.711 9.828 1.00 51.34 H new ATOM 0 HZ2 LYS A 416 -9.779 -6.804 8.435 1.00 51.34 H new ATOM 0 HZ3 LYS A 416 -8.625 -7.887 9.051 1.00 51.34 H new ATOM 1083 N GLY A 417 -5.825 -1.210 6.709 1.00 71.04 N ATOM 1084 CA GLY A 417 -5.299 -0.256 5.747 1.00 73.12 C ATOM 1085 C GLY A 417 -4.717 0.970 6.453 1.00 54.22 C ATOM 1086 O GLY A 417 -5.288 1.459 7.427 1.00 41.23 O ATOM 0 H GLY A 417 -6.522 -0.830 7.350 1.00 71.04 H new ATOM 0 HA2 GLY A 417 -4.527 -0.732 5.142 1.00 73.12 H new ATOM 0 HA3 GLY A 417 -6.092 0.054 5.066 1.00 73.12 H new ATOM 1090 N THR A 418 -3.589 1.432 5.934 1.00 11.11 N ATOM 1091 CA THR A 418 -2.924 2.592 6.503 1.00 63.04 C ATOM 1092 C THR A 418 -2.085 3.301 5.437 1.00 21.14 C ATOM 1093 O THR A 418 -1.251 2.678 4.782 1.00 31.54 O ATOM 1094 CB THR A 418 -2.106 2.124 7.708 1.00 1.31 C ATOM 1095 OG1 THR A 418 -1.225 1.142 7.170 1.00 40.00 O ATOM 1096 CG2 THR A 418 -2.950 1.352 8.724 1.00 63.41 C ATOM 0 H THR A 418 -3.119 1.024 5.126 1.00 11.11 H new ATOM 0 HA THR A 418 -3.646 3.332 6.850 1.00 63.04 H new ATOM 0 HB THR A 418 -1.651 2.987 8.195 1.00 1.31 H new ATOM 0 HG1 THR A 418 -1.086 1.315 6.215 1.00 40.00 H new ATOM 0 HG21 THR A 418 -2.321 1.043 9.559 1.00 63.41 H new ATOM 0 HG22 THR A 418 -3.753 1.992 9.091 1.00 63.41 H new ATOM 0 HG23 THR A 418 -3.378 0.471 8.246 1.00 63.41 H new ATOM 1104 N GLU A 419 -2.335 4.594 5.297 1.00 10.42 N ATOM 1105 CA GLU A 419 -1.613 5.395 4.323 1.00 73.13 C ATOM 1106 C GLU A 419 -1.585 6.862 4.757 1.00 23.42 C ATOM 1107 O GLU A 419 -2.494 7.328 5.442 1.00 71.23 O ATOM 1108 CB GLU A 419 -2.228 5.248 2.929 1.00 23.23 C ATOM 1109 CG GLU A 419 -3.692 5.691 2.926 1.00 1.50 C ATOM 1110 CD GLU A 419 -4.614 4.544 3.344 1.00 65.22 C ATOM 1111 OE1 GLU A 419 -5.167 4.566 4.453 1.00 31.42 O ATOM 1112 OE2 GLU A 419 -4.747 3.605 2.469 1.00 43.32 O ATOM 0 H GLU A 419 -3.028 5.107 5.842 1.00 10.42 H new ATOM 0 HA GLU A 419 -0.587 5.032 4.273 1.00 73.13 H new ATOM 0 HB2 GLU A 419 -1.662 5.845 2.213 1.00 23.23 H new ATOM 0 HB3 GLU A 419 -2.158 4.210 2.604 1.00 23.23 H new ATOM 0 HG2 GLU A 419 -3.822 6.533 3.606 1.00 1.50 H new ATOM 0 HG3 GLU A 419 -3.968 6.040 1.931 1.00 1.50 H new ATOM 1120 N PRO A 420 -0.503 7.566 4.331 1.00 43.54 N ATOM 1121 CA PRO A 420 -0.344 8.971 4.668 1.00 24.33 C ATOM 1122 C PRO A 420 -1.284 9.845 3.836 1.00 34.34 C ATOM 1123 O PRO A 420 -1.016 10.112 2.666 1.00 14.21 O ATOM 1124 CB PRO A 420 1.125 9.272 4.417 1.00 72.03 C ATOM 1125 CG PRO A 420 1.629 8.160 3.511 1.00 2.13 C ATOM 1126 CD PRO A 420 0.594 7.047 3.518 1.00 11.34 C ATOM 0 HA PRO A 420 -0.610 9.188 5.702 1.00 24.33 H new ATOM 0 HB2 PRO A 420 1.249 10.247 3.945 1.00 72.03 H new ATOM 0 HB3 PRO A 420 1.684 9.297 5.352 1.00 72.03 H new ATOM 0 HG2 PRO A 420 1.782 8.533 2.498 1.00 2.13 H new ATOM 0 HG3 PRO A 420 2.592 7.788 3.862 1.00 2.13 H new ATOM 0 HD2 PRO A 420 0.260 6.810 2.508 1.00 11.34 H new ATOM 0 HD3 PRO A 420 1.002 6.130 3.942 1.00 11.34 H new ATOM 1134 N ILE A 421 -2.367 10.266 4.473 1.00 32.34 N ATOM 1135 CA ILE A 421 -3.349 11.104 3.807 1.00 51.11 C ATOM 1136 C ILE A 421 -3.188 12.549 4.285 1.00 71.34 C ATOM 1137 O ILE A 421 -2.690 12.791 5.383 1.00 45.35 O ATOM 1138 CB ILE A 421 -4.758 10.543 4.009 1.00 51.03 C ATOM 1139 CG1 ILE A 421 -5.380 11.075 5.302 1.00 61.33 C ATOM 1140 CG2 ILE A 421 -4.751 9.014 3.963 1.00 60.33 C ATOM 1141 CD1 ILE A 421 -6.077 12.416 5.064 1.00 64.01 C ATOM 0 H ILE A 421 -2.586 10.042 5.444 1.00 32.34 H new ATOM 0 HA ILE A 421 -3.182 11.103 2.730 1.00 51.11 H new ATOM 0 HB ILE A 421 -5.384 10.887 3.186 1.00 51.03 H new ATOM 0 HG12 ILE A 421 -6.098 10.352 5.689 1.00 61.33 H new ATOM 0 HG13 ILE A 421 -4.606 11.193 6.060 1.00 61.33 H new ATOM 0 HG21 ILE A 421 -5.765 8.641 4.109 1.00 60.33 H new ATOM 0 HG22 ILE A 421 -4.378 8.681 2.995 1.00 60.33 H new ATOM 0 HG23 ILE A 421 -4.105 8.629 4.752 1.00 60.33 H new ATOM 0 HD11 ILE A 421 -6.510 12.772 5.999 1.00 64.01 H new ATOM 0 HD12 ILE A 421 -5.351 13.144 4.700 1.00 64.01 H new ATOM 0 HD13 ILE A 421 -6.866 12.289 4.323 1.00 64.01 H new ATOM 1153 N ILE A 422 -3.620 13.470 3.436 1.00 2.32 N ATOM 1154 CA ILE A 422 -3.530 14.884 3.758 1.00 42.51 C ATOM 1155 C ILE A 422 -4.933 15.433 4.021 1.00 15.42 C ATOM 1156 O ILE A 422 -5.714 15.624 3.090 1.00 51.11 O ATOM 1157 CB ILE A 422 -2.771 15.636 2.662 1.00 30.03 C ATOM 1158 CG1 ILE A 422 -1.330 15.134 2.550 1.00 30.03 C ATOM 1159 CG2 ILE A 422 -2.835 17.148 2.889 1.00 34.31 C ATOM 1160 CD1 ILE A 422 -0.506 16.034 1.627 1.00 73.43 C ATOM 0 H ILE A 422 -4.033 13.265 2.526 1.00 2.32 H new ATOM 0 HA ILE A 422 -2.953 15.031 4.671 1.00 42.51 H new ATOM 0 HB ILE A 422 -3.258 15.433 1.708 1.00 30.03 H new ATOM 0 HG12 ILE A 422 -0.873 15.106 3.539 1.00 30.03 H new ATOM 0 HG13 ILE A 422 -1.325 14.113 2.168 1.00 30.03 H new ATOM 0 HG21 ILE A 422 -2.288 17.658 2.096 1.00 34.31 H new ATOM 0 HG22 ILE A 422 -3.875 17.474 2.880 1.00 34.31 H new ATOM 0 HG23 ILE A 422 -2.388 17.390 3.853 1.00 34.31 H new ATOM 0 HD11 ILE A 422 0.514 15.655 1.565 1.00 73.43 H new ATOM 0 HD12 ILE A 422 -0.952 16.041 0.632 1.00 73.43 H new ATOM 0 HD13 ILE A 422 -0.492 17.049 2.025 1.00 73.43 H new ATOM 1172 N VAL A 423 -5.212 15.672 5.294 1.00 4.14 N ATOM 1173 CA VAL A 423 -6.508 16.195 5.692 1.00 44.41 C ATOM 1174 C VAL A 423 -6.573 17.688 5.362 1.00 0.12 C ATOM 1175 O VAL A 423 -5.562 18.386 5.426 1.00 15.55 O ATOM 1176 CB VAL A 423 -6.760 15.898 7.171 1.00 15.34 C ATOM 1177 CG1 VAL A 423 -8.206 16.221 7.556 1.00 4.22 C ATOM 1178 CG2 VAL A 423 -6.415 14.446 7.506 1.00 74.34 C ATOM 0 H VAL A 423 -4.562 15.513 6.064 1.00 4.14 H new ATOM 0 HA VAL A 423 -7.306 15.704 5.135 1.00 44.41 H new ATOM 0 HB VAL A 423 -6.105 16.541 7.758 1.00 15.34 H new ATOM 0 HG11 VAL A 423 -8.359 16.001 8.613 1.00 4.22 H new ATOM 0 HG12 VAL A 423 -8.404 17.277 7.373 1.00 4.22 H new ATOM 0 HG13 VAL A 423 -8.886 15.615 6.957 1.00 4.22 H new ATOM 0 HG21 VAL A 423 -6.603 14.262 8.564 1.00 74.34 H new ATOM 0 HG22 VAL A 423 -7.032 13.778 6.906 1.00 74.34 H new ATOM 0 HG23 VAL A 423 -5.363 14.262 7.288 1.00 74.34 H new ATOM 1188 N ASP A 424 -7.772 18.133 5.016 1.00 10.14 N ATOM 1189 CA ASP A 424 -7.983 19.530 4.677 1.00 45.15 C ATOM 1190 C ASP A 424 -9.157 20.077 5.490 1.00 73.11 C ATOM 1191 O ASP A 424 -10.132 19.368 5.733 1.00 32.43 O ATOM 1192 CB ASP A 424 -8.319 19.691 3.193 1.00 51.22 C ATOM 1193 CG ASP A 424 -7.897 21.026 2.575 1.00 15.13 C ATOM 1194 OD1 ASP A 424 -6.722 21.231 2.238 1.00 22.14 O ATOM 1195 OD2 ASP A 424 -8.847 21.889 2.442 1.00 2.35 O ATOM 0 H ASP A 424 -8.608 17.550 4.963 1.00 10.14 H new ATOM 0 HA ASP A 424 -7.065 20.074 4.900 1.00 45.15 H new ATOM 0 HB2 ASP A 424 -7.841 18.884 2.638 1.00 51.22 H new ATOM 0 HB3 ASP A 424 -9.395 19.572 3.065 1.00 51.22 H new ATOM 1201 N PRO A 425 -9.022 21.367 5.899 1.00 53.14 N ATOM 1202 CA PRO A 425 -10.061 22.017 6.679 1.00 2.35 C ATOM 1203 C PRO A 425 -11.259 22.384 5.801 1.00 4.52 C ATOM 1204 O PRO A 425 -11.226 22.188 4.587 1.00 12.33 O ATOM 1205 CB PRO A 425 -9.386 23.229 7.300 1.00 5.41 C ATOM 1206 CG PRO A 425 -8.130 23.473 6.479 1.00 41.22 C ATOM 1207 CD PRO A 425 -7.882 22.238 5.629 1.00 63.30 C ATOM 0 HA PRO A 425 -10.475 21.368 7.451 1.00 2.35 H new ATOM 0 HB2 PRO A 425 -10.044 24.098 7.275 1.00 5.41 H new ATOM 0 HB3 PRO A 425 -9.139 23.046 8.346 1.00 5.41 H new ATOM 0 HG2 PRO A 425 -8.252 24.353 5.847 1.00 41.22 H new ATOM 0 HG3 PRO A 425 -7.278 23.664 7.132 1.00 41.22 H new ATOM 0 HD2 PRO A 425 -7.819 22.492 4.571 1.00 63.30 H new ATOM 0 HD3 PRO A 425 -6.942 21.755 5.897 1.00 63.30 H new ATOM 1215 N PHE A 426 -12.287 22.911 6.449 1.00 34.01 N ATOM 1216 CA PHE A 426 -13.493 23.308 5.742 1.00 34.52 C ATOM 1217 C PHE A 426 -13.286 24.631 5.003 1.00 2.24 C ATOM 1218 O PHE A 426 -13.715 24.783 3.861 1.00 74.51 O ATOM 1219 CB PHE A 426 -14.589 23.491 6.794 1.00 22.34 C ATOM 1220 CG PHE A 426 -15.790 24.304 6.307 1.00 3.24 C ATOM 1221 CD1 PHE A 426 -16.406 23.975 5.140 1.00 3.34 C ATOM 1222 CD2 PHE A 426 -16.241 25.356 7.042 1.00 51.34 C ATOM 1223 CE1 PHE A 426 -17.520 24.730 4.688 1.00 12.25 C ATOM 1224 CE2 PHE A 426 -17.356 26.111 6.590 1.00 44.23 C ATOM 1225 CZ PHE A 426 -17.972 25.782 5.423 1.00 43.33 C ATOM 0 H PHE A 426 -12.310 23.072 7.456 1.00 34.01 H new ATOM 0 HA PHE A 426 -13.758 22.550 5.006 1.00 34.52 H new ATOM 0 HB2 PHE A 426 -14.935 22.509 7.118 1.00 22.34 H new ATOM 0 HB3 PHE A 426 -14.161 23.982 7.668 1.00 22.34 H new ATOM 0 HD1 PHE A 426 -16.048 23.139 4.557 1.00 3.34 H new ATOM 0 HD2 PHE A 426 -15.752 25.617 7.969 1.00 51.34 H new ATOM 0 HE1 PHE A 426 -18.009 24.469 3.761 1.00 12.25 H new ATOM 0 HE2 PHE A 426 -17.715 26.946 7.173 1.00 44.23 H new ATOM 0 HZ PHE A 426 -18.820 26.356 5.080 1.00 43.33 H new TER 1235 PHE A 426 HETATM 1236 ZN ZN A1373 0.417 13.997 18.320 1.00 54.01 ZN HETATM 1237 ZN ZN A1388 -8.499 2.377 14.075 1.00 71.10 ZN