USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 482 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 434 LYS NZ :NH3+ -154:sc= 0.00563 (180deg=0) USER MOD Set 1.2: A 468 GLN : amide:sc= 0.0071 X(o=0.013,f=-0.15) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -111:sc= 0.103 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -0.0664 K(o=-0.066,f=-2.5!) USER MOD Single : A 428 THR OG1 : rot 180:sc= -0.0317 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 SER OG : rot -103:sc= 1.27 USER MOD Single : A 433 THR OG1 : rot 47:sc= 0.0116 USER MOD Single : A 438 LYS NZ :NH3+ -167:sc=-0.00963 (180deg=-0.13) USER MOD Single : A 441 THR OG1 : rot -81:sc= 1.17 USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 449 CYS SG : rot 79:sc= 0.243 USER MOD Single : A 450 MET CE :methyl -163:sc= -1.31 (180deg=-2.16!) USER MOD Single : A 451 HIS : no HD1:sc= 1.13 K(o=1.1,f=-4!) USER MOD Single : A 452 MET CE :methyl -118:sc= -0.0451 (180deg=-4.2!) USER MOD Single : A 455 THR OG1 : rot 2:sc= 1 USER MOD Single : A 469 THR OG1 : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot 180:sc= 0 USER MOD Single : A 476 MET CE :methyl 160:sc= -0.128 (180deg=-0.632) USER MOD Single : A 479 HIS : no HD1:sc= -9.33! C(o=-9.3!,f=-9.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 0.932 -16.478 -10.438 1.00 0.00 N ATOM 2 CA GLY A -1 1.997 -16.852 -9.490 1.00 0.00 C ATOM 3 C GLY A -1 3.365 -16.448 -9.989 1.00 0.00 C ATOM 4 O GLY A -1 3.528 -16.077 -11.157 1.00 0.00 O ATOM 0 H1 GLY A -1 0.354 -15.717 -10.028 1.00 0.00 H new ATOM 0 H2 GLY A -1 1.359 -16.148 -11.327 1.00 0.00 H new ATOM 0 H3 GLY A -1 0.331 -17.305 -10.629 1.00 0.00 H new ATOM 0 HA2 GLY A -1 1.808 -16.378 -8.527 1.00 0.00 H new ATOM 0 HA3 GLY A -1 1.974 -17.929 -9.326 1.00 0.00 H new ATOM 10 N SER A 0 4.345 -16.507 -9.113 1.00 0.00 N ATOM 11 CA SER A 0 5.702 -16.157 -9.461 1.00 0.00 C ATOM 12 C SER A 0 6.679 -17.096 -8.768 1.00 0.00 C ATOM 13 O SER A 0 6.932 -16.973 -7.567 1.00 0.00 O ATOM 14 CB SER A 0 5.992 -14.706 -9.073 1.00 0.00 C ATOM 15 OG SER A 0 5.057 -13.819 -9.678 1.00 0.00 O ATOM 0 H SER A 0 4.223 -16.798 -8.143 1.00 0.00 H new ATOM 0 HA SER A 0 5.825 -16.258 -10.539 1.00 0.00 H new ATOM 0 HB2 SER A 0 5.950 -14.600 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 0 7.003 -14.439 -9.380 1.00 0.00 H new ATOM 0 HG SER A 0 5.262 -12.898 -9.414 1.00 0.00 H new ATOM 21 N ALA A 417 7.210 -18.041 -9.517 1.00 0.00 N ATOM 22 CA ALA A 417 8.143 -19.013 -8.972 1.00 0.00 C ATOM 23 C ALA A 417 9.539 -18.763 -9.502 1.00 0.00 C ATOM 24 O ALA A 417 10.482 -19.482 -9.173 1.00 0.00 O ATOM 25 CB ALA A 417 7.692 -20.424 -9.312 1.00 0.00 C ATOM 0 H ALA A 417 7.011 -18.159 -10.511 1.00 0.00 H new ATOM 0 HA ALA A 417 8.162 -18.905 -7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 417 8.400 -21.142 -8.898 1.00 0.00 H new ATOM 0 HB2 ALA A 417 6.704 -20.602 -8.888 1.00 0.00 H new ATOM 0 HB3 ALA A 417 7.648 -20.541 -10.395 1.00 0.00 H new ATOM 31 N GLU A 418 9.667 -17.742 -10.315 1.00 0.00 N ATOM 32 CA GLU A 418 10.931 -17.402 -10.920 1.00 0.00 C ATOM 33 C GLU A 418 11.248 -15.925 -10.726 1.00 0.00 C ATOM 34 O GLU A 418 10.388 -15.143 -10.301 1.00 0.00 O ATOM 35 CB GLU A 418 10.924 -17.751 -12.420 1.00 0.00 C ATOM 36 CG GLU A 418 9.863 -17.015 -13.249 1.00 0.00 C ATOM 37 CD GLU A 418 8.443 -17.483 -12.967 1.00 0.00 C ATOM 38 OE1 GLU A 418 8.010 -18.478 -13.586 1.00 0.00 O ATOM 39 OE2 GLU A 418 7.751 -16.850 -12.127 1.00 0.00 O ATOM 0 H GLU A 418 8.898 -17.124 -10.575 1.00 0.00 H new ATOM 0 HA GLU A 418 11.707 -17.987 -10.427 1.00 0.00 H new ATOM 0 HB2 GLU A 418 11.907 -17.528 -12.835 1.00 0.00 H new ATOM 0 HB3 GLU A 418 10.768 -18.824 -12.528 1.00 0.00 H new ATOM 0 HG2 GLU A 418 9.932 -15.946 -13.047 1.00 0.00 H new ATOM 0 HG3 GLU A 418 10.080 -17.154 -14.308 1.00 0.00 H new ATOM 46 N ALA A 419 12.482 -15.561 -11.027 1.00 0.00 N ATOM 47 CA ALA A 419 12.945 -14.189 -10.930 1.00 0.00 C ATOM 48 C ALA A 419 14.253 -14.038 -11.687 1.00 0.00 C ATOM 49 O ALA A 419 14.739 -14.996 -12.301 1.00 0.00 O ATOM 50 CB ALA A 419 13.131 -13.780 -9.478 1.00 0.00 C ATOM 0 H ALA A 419 13.196 -16.215 -11.348 1.00 0.00 H new ATOM 0 HA ALA A 419 12.192 -13.536 -11.372 1.00 0.00 H new ATOM 0 HB1 ALA A 419 13.478 -12.748 -9.432 1.00 0.00 H new ATOM 0 HB2 ALA A 419 12.181 -13.867 -8.951 1.00 0.00 H new ATOM 0 HB3 ALA A 419 13.867 -14.432 -9.008 1.00 0.00 H new ATOM 56 N ARG A 420 14.817 -12.853 -11.648 1.00 0.00 N ATOM 57 CA ARG A 420 16.068 -12.581 -12.332 1.00 0.00 C ATOM 58 C ARG A 420 17.248 -13.159 -11.565 1.00 0.00 C ATOM 59 O ARG A 420 17.500 -12.782 -10.420 1.00 0.00 O ATOM 60 CB ARG A 420 16.262 -11.074 -12.508 1.00 0.00 C ATOM 61 CG ARG A 420 17.607 -10.696 -13.122 1.00 0.00 C ATOM 62 CD ARG A 420 17.761 -9.190 -13.240 1.00 0.00 C ATOM 63 NE ARG A 420 19.078 -8.805 -13.759 1.00 0.00 N ATOM 64 CZ ARG A 420 19.513 -7.544 -13.855 1.00 0.00 C ATOM 65 NH1 ARG A 420 18.725 -6.537 -13.493 1.00 0.00 N ATOM 66 NH2 ARG A 420 20.728 -7.295 -14.321 1.00 0.00 N ATOM 0 H ARG A 420 14.429 -12.054 -11.147 1.00 0.00 H new ATOM 0 HA ARG A 420 16.022 -13.057 -13.312 1.00 0.00 H new ATOM 0 HB2 ARG A 420 15.463 -10.685 -13.139 1.00 0.00 H new ATOM 0 HB3 ARG A 420 16.167 -10.589 -11.537 1.00 0.00 H new ATOM 0 HG2 ARG A 420 18.414 -11.098 -12.509 1.00 0.00 H new ATOM 0 HG3 ARG A 420 17.699 -11.151 -14.108 1.00 0.00 H new ATOM 0 HD2 ARG A 420 16.985 -8.798 -13.897 1.00 0.00 H new ATOM 0 HD3 ARG A 420 17.611 -8.734 -12.262 1.00 0.00 H new ATOM 0 HE ARG A 420 19.704 -9.549 -14.067 1.00 0.00 H new ATOM 0 HH11 ARG A 420 17.786 -6.725 -13.141 1.00 0.00 H new ATOM 0 HH12 ARG A 420 19.059 -5.576 -13.567 1.00 0.00 H new ATOM 0 HH21 ARG A 420 21.332 -8.065 -14.607 1.00 0.00 H new ATOM 0 HH22 ARG A 420 21.059 -6.333 -14.394 1.00 0.00 H new ATOM 80 N TRP A 421 17.954 -14.081 -12.187 1.00 0.00 N ATOM 81 CA TRP A 421 19.148 -14.631 -11.589 1.00 0.00 C ATOM 82 C TRP A 421 20.333 -13.723 -11.883 1.00 0.00 C ATOM 83 O TRP A 421 20.680 -13.484 -13.043 1.00 0.00 O ATOM 84 CB TRP A 421 19.399 -16.076 -12.058 1.00 0.00 C ATOM 85 CG TRP A 421 19.259 -16.275 -13.529 1.00 0.00 C ATOM 86 CD1 TRP A 421 20.220 -16.092 -14.464 1.00 0.00 C ATOM 87 CD2 TRP A 421 18.089 -16.699 -14.230 1.00 0.00 C ATOM 88 NE1 TRP A 421 19.722 -16.368 -15.715 1.00 0.00 N ATOM 89 CE2 TRP A 421 18.414 -16.747 -15.594 1.00 0.00 C ATOM 90 CE3 TRP A 421 16.795 -17.043 -13.834 1.00 0.00 C ATOM 91 CZ2 TRP A 421 17.497 -17.122 -16.565 1.00 0.00 C ATOM 92 CZ3 TRP A 421 15.884 -17.417 -14.799 1.00 0.00 C ATOM 93 CH2 TRP A 421 16.238 -17.455 -16.149 1.00 0.00 C ATOM 0 H TRP A 421 17.721 -14.463 -13.104 1.00 0.00 H new ATOM 0 HA TRP A 421 19.012 -14.677 -10.509 1.00 0.00 H new ATOM 0 HB2 TRP A 421 20.403 -16.375 -11.756 1.00 0.00 H new ATOM 0 HB3 TRP A 421 18.702 -16.739 -11.545 1.00 0.00 H new ATOM 0 HD1 TRP A 421 21.232 -15.775 -14.257 1.00 0.00 H new ATOM 0 HE1 TRP A 421 20.243 -16.301 -16.590 1.00 0.00 H new ATOM 0 HE3 TRP A 421 16.513 -17.017 -12.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 421 17.767 -17.150 -17.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 421 14.880 -17.685 -14.506 1.00 0.00 H new ATOM 0 HH2 TRP A 421 15.502 -17.754 -16.880 1.00 0.00 H new ATOM 104 N ASP A 422 20.920 -13.183 -10.832 1.00 0.00 N ATOM 105 CA ASP A 422 22.028 -12.249 -10.963 1.00 0.00 C ATOM 106 C ASP A 422 22.827 -12.190 -9.676 1.00 0.00 C ATOM 107 O ASP A 422 22.275 -12.356 -8.586 1.00 0.00 O ATOM 108 CB ASP A 422 21.494 -10.849 -11.306 1.00 0.00 C ATOM 109 CG ASP A 422 22.590 -9.807 -11.409 1.00 0.00 C ATOM 110 OD1 ASP A 422 23.291 -9.775 -12.442 1.00 0.00 O ATOM 111 OD2 ASP A 422 22.747 -9.009 -10.467 1.00 0.00 O ATOM 0 H ASP A 422 20.647 -13.376 -9.868 1.00 0.00 H new ATOM 0 HA ASP A 422 22.680 -12.594 -11.765 1.00 0.00 H new ATOM 0 HB2 ASP A 422 20.953 -10.894 -12.251 1.00 0.00 H new ATOM 0 HB3 ASP A 422 20.779 -10.542 -10.543 1.00 0.00 H new ATOM 116 N GLU A 423 24.121 -11.970 -9.801 1.00 0.00 N ATOM 117 CA GLU A 423 24.989 -11.852 -8.650 1.00 0.00 C ATOM 118 C GLU A 423 26.141 -10.910 -8.958 1.00 0.00 C ATOM 119 O GLU A 423 27.161 -11.318 -9.518 1.00 0.00 O ATOM 120 CB GLU A 423 25.521 -13.224 -8.225 1.00 0.00 C ATOM 121 CG GLU A 423 26.332 -13.200 -6.934 1.00 0.00 C ATOM 122 CD GLU A 423 25.537 -12.667 -5.763 1.00 0.00 C ATOM 123 OE1 GLU A 423 24.791 -13.448 -5.141 1.00 0.00 O ATOM 124 OE2 GLU A 423 25.645 -11.463 -5.464 1.00 0.00 O ATOM 0 H GLU A 423 24.596 -11.869 -10.698 1.00 0.00 H new ATOM 0 HA GLU A 423 24.409 -11.442 -7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 423 24.680 -13.906 -8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 423 26.142 -13.626 -9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 423 26.677 -14.209 -6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 423 27.220 -12.584 -7.077 1.00 0.00 H new ATOM 131 N ALA A 424 25.963 -9.646 -8.626 1.00 0.00 N ATOM 132 CA ALA A 424 26.988 -8.651 -8.855 1.00 0.00 C ATOM 133 C ALA A 424 28.058 -8.737 -7.777 1.00 0.00 C ATOM 134 O ALA A 424 27.924 -8.146 -6.705 1.00 0.00 O ATOM 135 CB ALA A 424 26.381 -7.255 -8.907 1.00 0.00 C ATOM 0 H ALA A 424 25.113 -9.284 -8.194 1.00 0.00 H new ATOM 0 HA ALA A 424 27.455 -8.850 -9.819 1.00 0.00 H new ATOM 0 HB1 ALA A 424 27.169 -6.522 -9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 424 25.654 -7.204 -9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 424 25.885 -7.038 -7.961 1.00 0.00 H new ATOM 141 N SER A 425 29.095 -9.495 -8.058 1.00 0.00 N ATOM 142 CA SER A 425 30.181 -9.679 -7.127 1.00 0.00 C ATOM 143 C SER A 425 31.480 -9.900 -7.895 1.00 0.00 C ATOM 144 O SER A 425 31.662 -10.933 -8.549 1.00 0.00 O ATOM 145 CB SER A 425 29.882 -10.873 -6.204 1.00 0.00 C ATOM 146 OG SER A 425 30.854 -11.006 -5.181 1.00 0.00 O ATOM 0 H SER A 425 29.207 -9.999 -8.937 1.00 0.00 H new ATOM 0 HA SER A 425 30.288 -8.787 -6.510 1.00 0.00 H new ATOM 0 HB2 SER A 425 28.897 -10.747 -5.755 1.00 0.00 H new ATOM 0 HB3 SER A 425 29.848 -11.789 -6.794 1.00 0.00 H new ATOM 0 HG SER A 425 30.630 -11.773 -4.614 1.00 0.00 H new ATOM 152 N ASN A 426 32.362 -8.915 -7.844 1.00 0.00 N ATOM 153 CA ASN A 426 33.637 -8.982 -8.547 1.00 0.00 C ATOM 154 C ASN A 426 34.658 -8.079 -7.876 1.00 0.00 C ATOM 155 O ASN A 426 34.306 -7.220 -7.057 1.00 0.00 O ATOM 156 CB ASN A 426 33.472 -8.570 -10.025 1.00 0.00 C ATOM 157 CG ASN A 426 33.093 -7.097 -10.210 1.00 0.00 C ATOM 158 OD1 ASN A 426 32.420 -6.497 -9.369 1.00 0.00 O ATOM 159 ND2 ASN A 426 33.528 -6.511 -11.310 1.00 0.00 N ATOM 0 H ASN A 426 32.218 -8.052 -7.319 1.00 0.00 H new ATOM 0 HA ASN A 426 33.989 -10.013 -8.509 1.00 0.00 H new ATOM 0 HB2 ASN A 426 34.404 -8.766 -10.555 1.00 0.00 H new ATOM 0 HB3 ASN A 426 32.706 -9.195 -10.485 1.00 0.00 H new ATOM 0 HD21 ASN A 426 33.310 -5.530 -11.486 1.00 0.00 H new ATOM 0 HD22 ASN A 426 34.083 -7.039 -11.984 1.00 0.00 H new ATOM 166 N VAL A 427 35.917 -8.266 -8.214 1.00 0.00 N ATOM 167 CA VAL A 427 36.975 -7.449 -7.671 1.00 0.00 C ATOM 168 C VAL A 427 37.812 -6.837 -8.794 1.00 0.00 C ATOM 169 O VAL A 427 38.272 -7.536 -9.699 1.00 0.00 O ATOM 170 CB VAL A 427 37.878 -8.242 -6.677 1.00 0.00 C ATOM 171 CG1 VAL A 427 38.497 -9.467 -7.337 1.00 0.00 C ATOM 172 CG2 VAL A 427 38.955 -7.344 -6.086 1.00 0.00 C ATOM 0 H VAL A 427 36.231 -8.983 -8.868 1.00 0.00 H new ATOM 0 HA VAL A 427 36.506 -6.644 -7.106 1.00 0.00 H new ATOM 0 HB VAL A 427 37.241 -8.592 -5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 427 39.119 -9.994 -6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 427 37.706 -10.130 -7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 427 39.109 -9.154 -8.183 1.00 0.00 H new ATOM 0 HG21 VAL A 427 39.571 -7.921 -5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 427 39.580 -6.949 -6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 427 38.487 -6.518 -5.551 1.00 0.00 H new ATOM 182 N THR A 428 37.950 -5.532 -8.766 1.00 0.00 N ATOM 183 CA THR A 428 38.737 -4.822 -9.751 1.00 0.00 C ATOM 184 C THR A 428 39.354 -3.579 -9.123 1.00 0.00 C ATOM 185 O THR A 428 38.641 -2.724 -8.591 1.00 0.00 O ATOM 186 CB THR A 428 37.878 -4.414 -10.967 1.00 0.00 C ATOM 187 OG1 THR A 428 37.209 -5.570 -11.497 1.00 0.00 O ATOM 188 CG2 THR A 428 38.751 -3.800 -12.051 1.00 0.00 C ATOM 0 H THR A 428 37.521 -4.932 -8.061 1.00 0.00 H new ATOM 0 HA THR A 428 39.525 -5.491 -10.097 1.00 0.00 H new ATOM 0 HB THR A 428 37.143 -3.678 -10.642 1.00 0.00 H new ATOM 0 HG1 THR A 428 36.663 -5.308 -12.268 1.00 0.00 H new ATOM 0 HG21 THR A 428 38.130 -3.518 -12.901 1.00 0.00 H new ATOM 0 HG22 THR A 428 39.251 -2.915 -11.657 1.00 0.00 H new ATOM 0 HG23 THR A 428 39.498 -4.527 -12.372 1.00 0.00 H new ATOM 196 N ILE A 429 40.669 -3.488 -9.169 1.00 0.00 N ATOM 197 CA ILE A 429 41.371 -2.366 -8.571 1.00 0.00 C ATOM 198 C ILE A 429 41.375 -1.148 -9.504 1.00 0.00 C ATOM 199 O ILE A 429 41.235 -0.012 -9.055 1.00 0.00 O ATOM 200 CB ILE A 429 42.828 -2.752 -8.171 1.00 0.00 C ATOM 201 CG1 ILE A 429 43.514 -1.605 -7.415 1.00 0.00 C ATOM 202 CG2 ILE A 429 43.651 -3.162 -9.386 1.00 0.00 C ATOM 203 CD1 ILE A 429 42.866 -1.273 -6.083 1.00 0.00 C ATOM 0 H ILE A 429 41.274 -4.178 -9.614 1.00 0.00 H new ATOM 0 HA ILE A 429 40.831 -2.097 -7.663 1.00 0.00 H new ATOM 0 HB ILE A 429 42.766 -3.613 -7.505 1.00 0.00 H new ATOM 0 HG12 ILE A 429 44.558 -1.868 -7.245 1.00 0.00 H new ATOM 0 HG13 ILE A 429 43.508 -0.714 -8.043 1.00 0.00 H new ATOM 0 HG21 ILE A 429 44.661 -3.424 -9.070 1.00 0.00 H new ATOM 0 HG22 ILE A 429 43.186 -4.023 -9.867 1.00 0.00 H new ATOM 0 HG23 ILE A 429 43.696 -2.333 -10.092 1.00 0.00 H new ATOM 0 HD11 ILE A 429 43.407 -0.454 -5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 429 41.830 -0.977 -6.246 1.00 0.00 H new ATOM 0 HD13 ILE A 429 42.896 -2.149 -5.435 1.00 0.00 H new ATOM 215 N LYS A 430 41.511 -1.393 -10.794 1.00 0.00 N ATOM 216 CA LYS A 430 41.527 -0.319 -11.765 1.00 0.00 C ATOM 217 C LYS A 430 40.381 -0.469 -12.747 1.00 0.00 C ATOM 218 O LYS A 430 40.438 -1.277 -13.673 1.00 0.00 O ATOM 219 CB LYS A 430 42.865 -0.274 -12.506 1.00 0.00 C ATOM 220 CG LYS A 430 42.931 0.790 -13.598 1.00 0.00 C ATOM 221 CD LYS A 430 44.291 0.806 -14.286 1.00 0.00 C ATOM 222 CE LYS A 430 44.607 -0.536 -14.938 1.00 0.00 C ATOM 223 NZ LYS A 430 45.934 -0.534 -15.598 1.00 0.00 N ATOM 0 H LYS A 430 41.612 -2.327 -11.192 1.00 0.00 H new ATOM 0 HA LYS A 430 41.402 0.622 -11.230 1.00 0.00 H new ATOM 0 HB2 LYS A 430 43.662 -0.091 -11.786 1.00 0.00 H new ATOM 0 HB3 LYS A 430 43.056 -1.250 -12.952 1.00 0.00 H new ATOM 0 HG2 LYS A 430 42.151 0.603 -14.336 1.00 0.00 H new ATOM 0 HG3 LYS A 430 42.731 1.770 -13.164 1.00 0.00 H new ATOM 0 HD2 LYS A 430 44.308 1.591 -15.042 1.00 0.00 H new ATOM 0 HD3 LYS A 430 45.065 1.048 -13.558 1.00 0.00 H new ATOM 0 HE2 LYS A 430 44.579 -1.321 -14.183 1.00 0.00 H new ATOM 0 HE3 LYS A 430 43.837 -0.772 -15.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 46.109 -1.465 -16.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 45.953 0.198 -16.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 46.672 -0.334 -14.893 1.00 0.00 H new ATOM 237 N VAL A 431 39.341 0.295 -12.524 1.00 0.00 N ATOM 238 CA VAL A 431 38.178 0.288 -13.388 1.00 0.00 C ATOM 239 C VAL A 431 38.298 1.375 -14.450 1.00 0.00 C ATOM 240 O VAL A 431 39.186 2.231 -14.369 1.00 0.00 O ATOM 241 CB VAL A 431 36.883 0.499 -12.574 1.00 0.00 C ATOM 242 CG1 VAL A 431 36.533 -0.758 -11.793 1.00 0.00 C ATOM 243 CG2 VAL A 431 37.036 1.681 -11.628 1.00 0.00 C ATOM 0 H VAL A 431 39.273 0.942 -11.738 1.00 0.00 H new ATOM 0 HA VAL A 431 38.129 -0.686 -13.875 1.00 0.00 H new ATOM 0 HB VAL A 431 36.072 0.712 -13.270 1.00 0.00 H new ATOM 0 HG11 VAL A 431 35.618 -0.591 -11.225 1.00 0.00 H new ATOM 0 HG12 VAL A 431 36.384 -1.587 -12.485 1.00 0.00 H new ATOM 0 HG13 VAL A 431 37.346 -0.999 -11.108 1.00 0.00 H new ATOM 0 HG21 VAL A 431 36.114 1.816 -11.062 1.00 0.00 H new ATOM 0 HG22 VAL A 431 37.860 1.492 -10.940 1.00 0.00 H new ATOM 0 HG23 VAL A 431 37.243 2.583 -12.203 1.00 0.00 H new ATOM 253 N SER A 432 37.414 1.341 -15.439 1.00 0.00 N ATOM 254 CA SER A 432 37.428 2.334 -16.503 1.00 0.00 C ATOM 255 C SER A 432 36.981 3.682 -15.959 1.00 0.00 C ATOM 256 O SER A 432 37.545 4.719 -16.297 1.00 0.00 O ATOM 257 CB SER A 432 36.528 1.902 -17.670 1.00 0.00 C ATOM 258 OG SER A 432 36.661 2.778 -18.786 1.00 0.00 O ATOM 0 H SER A 432 36.680 0.638 -15.526 1.00 0.00 H new ATOM 0 HA SER A 432 38.447 2.422 -16.880 1.00 0.00 H new ATOM 0 HB2 SER A 432 36.784 0.886 -17.971 1.00 0.00 H new ATOM 0 HB3 SER A 432 35.489 1.885 -17.342 1.00 0.00 H new ATOM 0 HG SER A 432 35.884 3.373 -18.829 1.00 0.00 H new ATOM 264 N THR A 433 35.976 3.663 -15.112 1.00 0.00 N ATOM 265 CA THR A 433 35.479 4.873 -14.519 1.00 0.00 C ATOM 266 C THR A 433 35.789 4.934 -13.044 1.00 0.00 C ATOM 267 O THR A 433 35.268 4.150 -12.251 1.00 0.00 O ATOM 268 CB THR A 433 33.986 5.034 -14.729 1.00 0.00 C ATOM 269 OG1 THR A 433 33.322 3.768 -14.557 1.00 0.00 O ATOM 270 CG2 THR A 433 33.704 5.590 -16.105 1.00 0.00 C ATOM 0 H THR A 433 35.488 2.816 -14.821 1.00 0.00 H new ATOM 0 HA THR A 433 35.990 5.694 -15.022 1.00 0.00 H new ATOM 0 HB THR A 433 33.603 5.735 -13.987 1.00 0.00 H new ATOM 0 HG1 THR A 433 33.654 3.332 -13.744 1.00 0.00 H new ATOM 0 HG21 THR A 433 32.628 5.699 -16.240 1.00 0.00 H new ATOM 0 HG22 THR A 433 34.184 6.563 -16.210 1.00 0.00 H new ATOM 0 HG23 THR A 433 34.097 4.909 -16.860 1.00 0.00 H new ATOM 278 N LYS A 434 36.619 5.868 -12.681 1.00 0.00 N ATOM 279 CA LYS A 434 37.024 6.028 -11.305 1.00 0.00 C ATOM 280 C LYS A 434 36.370 7.277 -10.726 1.00 0.00 C ATOM 281 O LYS A 434 36.179 8.261 -11.435 1.00 0.00 O ATOM 282 CB LYS A 434 38.552 6.114 -11.204 1.00 0.00 C ATOM 283 CG LYS A 434 39.285 5.050 -12.024 1.00 0.00 C ATOM 284 CD LYS A 434 40.715 4.864 -11.549 1.00 0.00 C ATOM 285 CE LYS A 434 40.768 3.982 -10.319 1.00 0.00 C ATOM 286 NZ LYS A 434 42.113 3.971 -9.686 1.00 0.00 N ATOM 0 H LYS A 434 37.036 6.541 -13.324 1.00 0.00 H new ATOM 0 HA LYS A 434 36.699 5.161 -10.730 1.00 0.00 H new ATOM 0 HB2 LYS A 434 38.874 7.101 -11.536 1.00 0.00 H new ATOM 0 HB3 LYS A 434 38.844 6.019 -10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 434 38.751 4.103 -11.952 1.00 0.00 H new ATOM 0 HG3 LYS A 434 39.285 5.336 -13.076 1.00 0.00 H new ATOM 0 HD2 LYS A 434 41.312 4.419 -12.346 1.00 0.00 H new ATOM 0 HD3 LYS A 434 41.156 5.835 -11.324 1.00 0.00 H new ATOM 0 HE2 LYS A 434 40.031 4.329 -9.594 1.00 0.00 H new ATOM 0 HE3 LYS A 434 40.490 2.964 -10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 42.244 3.081 -9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 42.844 4.051 -10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 42.194 4.773 -9.029 1.00 0.00 H new ATOM 300 N PRO A 435 35.994 7.247 -9.444 1.00 0.00 N ATOM 301 CA PRO A 435 35.325 8.379 -8.795 1.00 0.00 C ATOM 302 C PRO A 435 36.240 9.593 -8.610 1.00 0.00 C ATOM 303 O PRO A 435 37.361 9.472 -8.107 1.00 0.00 O ATOM 304 CB PRO A 435 34.904 7.813 -7.434 1.00 0.00 C ATOM 305 CG PRO A 435 35.855 6.695 -7.175 1.00 0.00 C ATOM 306 CD PRO A 435 36.185 6.112 -8.521 1.00 0.00 C ATOM 0 HA PRO A 435 34.496 8.750 -9.397 1.00 0.00 H new ATOM 0 HB2 PRO A 435 34.964 8.572 -6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 435 33.873 7.459 -7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 435 36.754 7.055 -6.675 1.00 0.00 H new ATOM 0 HG3 PRO A 435 35.407 5.944 -6.524 1.00 0.00 H new ATOM 0 HD2 PRO A 435 37.207 5.734 -8.555 1.00 0.00 H new ATOM 0 HD3 PRO A 435 35.529 5.278 -8.769 1.00 0.00 H new ATOM 314 N CYS A 436 35.750 10.756 -9.034 1.00 0.00 N ATOM 315 CA CYS A 436 36.468 12.009 -8.872 1.00 0.00 C ATOM 316 C CYS A 436 36.596 12.341 -7.391 1.00 0.00 C ATOM 317 O CYS A 436 35.668 12.116 -6.621 1.00 0.00 O ATOM 318 CB CYS A 436 35.716 13.130 -9.616 1.00 0.00 C ATOM 319 SG CYS A 436 36.310 14.840 -9.294 1.00 0.00 S ATOM 0 H CYS A 436 34.846 10.852 -9.498 1.00 0.00 H new ATOM 0 HA CYS A 436 37.469 11.916 -9.294 1.00 0.00 H new ATOM 0 HB2 CYS A 436 35.782 12.938 -10.687 1.00 0.00 H new ATOM 0 HB3 CYS A 436 34.661 13.075 -9.347 1.00 0.00 H new ATOM 324 N PRO A 437 37.740 12.879 -6.968 1.00 0.00 N ATOM 325 CA PRO A 437 37.976 13.230 -5.567 1.00 0.00 C ATOM 326 C PRO A 437 37.024 14.319 -5.056 1.00 0.00 C ATOM 327 O PRO A 437 36.962 14.582 -3.855 1.00 0.00 O ATOM 328 CB PRO A 437 39.425 13.732 -5.554 1.00 0.00 C ATOM 329 CG PRO A 437 39.720 14.097 -6.967 1.00 0.00 C ATOM 330 CD PRO A 437 38.903 13.173 -7.816 1.00 0.00 C ATOM 0 HA PRO A 437 37.802 12.378 -4.909 1.00 0.00 H new ATOM 0 HB2 PRO A 437 39.539 14.591 -4.893 1.00 0.00 H new ATOM 0 HB3 PRO A 437 40.107 12.961 -5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 437 39.460 15.137 -7.163 1.00 0.00 H new ATOM 0 HG3 PRO A 437 40.783 13.988 -7.184 1.00 0.00 H new ATOM 0 HD2 PRO A 437 38.609 13.643 -8.754 1.00 0.00 H new ATOM 0 HD3 PRO A 437 39.454 12.268 -8.072 1.00 0.00 H new ATOM 338 N LYS A 438 36.284 14.949 -5.963 1.00 0.00 N ATOM 339 CA LYS A 438 35.344 15.995 -5.570 1.00 0.00 C ATOM 340 C LYS A 438 33.897 15.572 -5.778 1.00 0.00 C ATOM 341 O LYS A 438 33.157 15.369 -4.812 1.00 0.00 O ATOM 342 CB LYS A 438 35.619 17.317 -6.298 1.00 0.00 C ATOM 343 CG LYS A 438 36.730 18.153 -5.675 1.00 0.00 C ATOM 344 CD LYS A 438 38.109 17.594 -5.979 1.00 0.00 C ATOM 345 CE LYS A 438 39.186 18.298 -5.168 1.00 0.00 C ATOM 346 NZ LYS A 438 39.135 19.778 -5.322 1.00 0.00 N ATOM 0 H LYS A 438 36.315 14.757 -6.964 1.00 0.00 H new ATOM 0 HA LYS A 438 35.499 16.156 -4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 438 35.879 17.101 -7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 438 34.702 17.907 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 438 36.665 19.176 -6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 438 36.588 18.196 -4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 438 38.127 16.526 -5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 438 38.322 17.705 -7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 438 39.071 18.041 -4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 438 40.166 17.936 -5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 40.006 20.197 -4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 39.050 20.019 -6.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 38.314 20.153 -4.806 1.00 0.00 H new ATOM 360 N CYS A 439 33.489 15.434 -7.032 1.00 0.00 N ATOM 361 CA CYS A 439 32.109 15.085 -7.337 1.00 0.00 C ATOM 362 C CYS A 439 31.873 13.587 -7.234 1.00 0.00 C ATOM 363 O CYS A 439 30.731 13.140 -7.084 1.00 0.00 O ATOM 364 CB CYS A 439 31.719 15.601 -8.721 1.00 0.00 C ATOM 365 SG CYS A 439 32.847 15.120 -10.053 1.00 0.00 S ATOM 0 H CYS A 439 34.088 15.557 -7.848 1.00 0.00 H new ATOM 0 HA CYS A 439 31.474 15.567 -6.594 1.00 0.00 H new ATOM 0 HB2 CYS A 439 30.720 15.238 -8.961 1.00 0.00 H new ATOM 0 HB3 CYS A 439 31.663 16.689 -8.686 1.00 0.00 H new ATOM 370 N ARG A 440 32.956 12.822 -7.310 1.00 0.00 N ATOM 371 CA ARG A 440 32.909 11.360 -7.228 1.00 0.00 C ATOM 372 C ARG A 440 32.153 10.736 -8.383 1.00 0.00 C ATOM 373 O ARG A 440 31.710 9.589 -8.294 1.00 0.00 O ATOM 374 CB ARG A 440 32.348 10.883 -5.892 1.00 0.00 C ATOM 375 CG ARG A 440 33.374 10.890 -4.781 1.00 0.00 C ATOM 376 CD ARG A 440 32.805 10.332 -3.504 1.00 0.00 C ATOM 377 NE ARG A 440 33.826 10.201 -2.467 1.00 0.00 N ATOM 378 CZ ARG A 440 33.610 10.400 -1.166 1.00 0.00 C ATOM 379 NH1 ARG A 440 32.407 10.750 -0.730 1.00 0.00 N ATOM 380 NH2 ARG A 440 34.603 10.255 -0.304 1.00 0.00 N ATOM 0 H ARG A 440 33.897 13.196 -7.431 1.00 0.00 H new ATOM 0 HA ARG A 440 33.943 11.022 -7.299 1.00 0.00 H new ATOM 0 HB2 ARG A 440 31.510 11.520 -5.609 1.00 0.00 H new ATOM 0 HB3 ARG A 440 31.955 9.873 -6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 440 34.242 10.303 -5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 440 33.722 11.909 -4.611 1.00 0.00 H new ATOM 0 HD2 ARG A 440 32.006 10.982 -3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 440 32.359 9.357 -3.700 1.00 0.00 H new ATOM 0 HE ARG A 440 34.768 9.940 -2.758 1.00 0.00 H new ATOM 0 HH11 ARG A 440 31.639 10.869 -1.391 1.00 0.00 H new ATOM 0 HH12 ARG A 440 32.250 10.900 0.266 1.00 0.00 H new ATOM 0 HH21 ARG A 440 35.531 9.992 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 440 34.440 10.407 0.691 1.00 0.00 H new ATOM 394 N THR A 441 32.026 11.470 -9.467 1.00 0.00 N ATOM 395 CA THR A 441 31.377 10.950 -10.640 1.00 0.00 C ATOM 396 C THR A 441 32.312 9.988 -11.364 1.00 0.00 C ATOM 397 O THR A 441 33.538 10.080 -11.216 1.00 0.00 O ATOM 398 CB THR A 441 30.925 12.074 -11.597 1.00 0.00 C ATOM 399 OG1 THR A 441 32.008 12.970 -11.858 1.00 0.00 O ATOM 400 CG2 THR A 441 29.749 12.836 -11.010 1.00 0.00 C ATOM 0 H THR A 441 32.365 12.428 -9.556 1.00 0.00 H new ATOM 0 HA THR A 441 30.482 10.418 -10.317 1.00 0.00 H new ATOM 0 HB THR A 441 30.610 11.618 -12.536 1.00 0.00 H new ATOM 0 HG1 THR A 441 32.097 13.601 -11.114 1.00 0.00 H new ATOM 0 HG21 THR A 441 29.445 13.624 -11.699 1.00 0.00 H new ATOM 0 HG22 THR A 441 28.915 12.152 -10.851 1.00 0.00 H new ATOM 0 HG23 THR A 441 30.041 13.280 -10.058 1.00 0.00 H new ATOM 408 N PRO A 442 31.757 9.035 -12.123 1.00 0.00 N ATOM 409 CA PRO A 442 32.554 8.055 -12.851 1.00 0.00 C ATOM 410 C PRO A 442 33.413 8.703 -13.939 1.00 0.00 C ATOM 411 O PRO A 442 32.932 9.008 -15.030 1.00 0.00 O ATOM 412 CB PRO A 442 31.510 7.111 -13.465 1.00 0.00 C ATOM 413 CG PRO A 442 30.242 7.893 -13.488 1.00 0.00 C ATOM 414 CD PRO A 442 30.310 8.842 -12.328 1.00 0.00 C ATOM 0 HA PRO A 442 33.262 7.543 -12.200 1.00 0.00 H new ATOM 0 HB2 PRO A 442 31.801 6.802 -14.469 1.00 0.00 H new ATOM 0 HB3 PRO A 442 31.402 6.203 -12.871 1.00 0.00 H new ATOM 0 HG2 PRO A 442 30.137 8.435 -14.428 1.00 0.00 H new ATOM 0 HG3 PRO A 442 29.378 7.235 -13.401 1.00 0.00 H new ATOM 0 HD2 PRO A 442 29.807 9.783 -12.550 1.00 0.00 H new ATOM 0 HD3 PRO A 442 29.831 8.426 -11.441 1.00 0.00 H new ATOM 422 N THR A 443 34.669 8.932 -13.620 1.00 0.00 N ATOM 423 CA THR A 443 35.595 9.530 -14.551 1.00 0.00 C ATOM 424 C THR A 443 36.211 8.469 -15.450 1.00 0.00 C ATOM 425 O THR A 443 36.915 7.572 -14.978 1.00 0.00 O ATOM 426 CB THR A 443 36.714 10.285 -13.804 1.00 0.00 C ATOM 427 OG1 THR A 443 36.140 11.316 -12.996 1.00 0.00 O ATOM 428 CG2 THR A 443 37.708 10.901 -14.784 1.00 0.00 C ATOM 0 H THR A 443 35.074 8.709 -12.711 1.00 0.00 H new ATOM 0 HA THR A 443 35.039 10.239 -15.164 1.00 0.00 H new ATOM 0 HB THR A 443 37.247 9.573 -13.174 1.00 0.00 H new ATOM 0 HG1 THR A 443 36.852 11.794 -12.521 1.00 0.00 H new ATOM 0 HG21 THR A 443 38.486 11.427 -14.231 1.00 0.00 H new ATOM 0 HG22 THR A 443 38.161 10.113 -15.386 1.00 0.00 H new ATOM 0 HG23 THR A 443 37.189 11.603 -15.436 1.00 0.00 H new ATOM 436 N GLU A 444 35.921 8.565 -16.739 1.00 0.00 N ATOM 437 CA GLU A 444 36.468 7.647 -17.723 1.00 0.00 C ATOM 438 C GLU A 444 37.954 7.859 -17.872 1.00 0.00 C ATOM 439 O GLU A 444 38.404 8.953 -18.224 1.00 0.00 O ATOM 440 CB GLU A 444 35.784 7.841 -19.077 1.00 0.00 C ATOM 441 CG GLU A 444 34.422 7.195 -19.174 1.00 0.00 C ATOM 442 CD GLU A 444 34.489 5.729 -19.557 1.00 0.00 C ATOM 443 OE1 GLU A 444 35.075 4.929 -18.804 1.00 0.00 O ATOM 444 OE2 GLU A 444 33.935 5.366 -20.616 1.00 0.00 O ATOM 0 H GLU A 444 35.304 9.277 -17.129 1.00 0.00 H new ATOM 0 HA GLU A 444 36.286 6.630 -17.376 1.00 0.00 H new ATOM 0 HB2 GLU A 444 35.683 8.909 -19.272 1.00 0.00 H new ATOM 0 HB3 GLU A 444 36.425 7.433 -19.858 1.00 0.00 H new ATOM 0 HG2 GLU A 444 33.911 7.292 -18.216 1.00 0.00 H new ATOM 0 HG3 GLU A 444 33.823 7.731 -19.911 1.00 0.00 H new ATOM 451 N ARG A 445 38.712 6.832 -17.582 1.00 0.00 N ATOM 452 CA ARG A 445 40.152 6.902 -17.748 1.00 0.00 C ATOM 453 C ARG A 445 40.494 6.950 -19.224 1.00 0.00 C ATOM 454 O ARG A 445 40.271 5.995 -19.968 1.00 0.00 O ATOM 455 CB ARG A 445 40.867 5.741 -17.052 1.00 0.00 C ATOM 456 CG ARG A 445 40.382 4.368 -17.465 1.00 0.00 C ATOM 457 CD ARG A 445 41.178 3.282 -16.786 1.00 0.00 C ATOM 458 NE ARG A 445 42.549 3.194 -17.305 1.00 0.00 N ATOM 459 CZ ARG A 445 42.966 2.290 -18.208 1.00 0.00 C ATOM 460 NH1 ARG A 445 42.118 1.396 -18.705 1.00 0.00 N ATOM 461 NH2 ARG A 445 44.236 2.279 -18.602 1.00 0.00 N ATOM 0 H ARG A 445 38.364 5.940 -17.231 1.00 0.00 H new ATOM 0 HA ARG A 445 40.505 7.816 -17.271 1.00 0.00 H new ATOM 0 HB2 ARG A 445 41.935 5.813 -17.258 1.00 0.00 H new ATOM 0 HB3 ARG A 445 40.742 5.848 -15.974 1.00 0.00 H new ATOM 0 HG2 ARG A 445 39.327 4.261 -17.213 1.00 0.00 H new ATOM 0 HG3 ARG A 445 40.464 4.261 -18.547 1.00 0.00 H new ATOM 0 HD2 ARG A 445 41.209 3.473 -15.713 1.00 0.00 H new ATOM 0 HD3 ARG A 445 40.676 2.324 -16.925 1.00 0.00 H new ATOM 0 HE ARG A 445 43.232 3.866 -16.956 1.00 0.00 H new ATOM 0 HH11 ARG A 445 41.144 1.393 -18.402 1.00 0.00 H new ATOM 0 HH12 ARG A 445 42.441 0.713 -19.390 1.00 0.00 H new ATOM 0 HH21 ARG A 445 44.895 2.957 -18.219 1.00 0.00 H new ATOM 0 HH22 ARG A 445 44.551 1.593 -19.287 1.00 0.00 H new ATOM 475 N ASP A 446 41.015 8.064 -19.638 1.00 0.00 N ATOM 476 CA ASP A 446 41.316 8.291 -21.039 1.00 0.00 C ATOM 477 C ASP A 446 42.782 8.068 -21.324 1.00 0.00 C ATOM 478 O ASP A 446 43.648 8.726 -20.740 1.00 0.00 O ATOM 479 CB ASP A 446 40.900 9.700 -21.459 1.00 0.00 C ATOM 480 CG ASP A 446 41.174 9.974 -22.921 1.00 0.00 C ATOM 481 OD1 ASP A 446 40.499 9.375 -23.775 1.00 0.00 O ATOM 482 OD2 ASP A 446 42.073 10.791 -23.219 1.00 0.00 O ATOM 0 H ASP A 446 41.247 8.846 -19.026 1.00 0.00 H new ATOM 0 HA ASP A 446 40.744 7.571 -21.624 1.00 0.00 H new ATOM 0 HB2 ASP A 446 39.837 9.836 -21.260 1.00 0.00 H new ATOM 0 HB3 ASP A 446 41.434 10.430 -20.850 1.00 0.00 H new ATOM 487 N GLY A 447 43.057 7.140 -22.219 1.00 0.00 N ATOM 488 CA GLY A 447 44.417 6.821 -22.560 1.00 0.00 C ATOM 489 C GLY A 447 45.105 6.065 -21.453 1.00 0.00 C ATOM 490 O GLY A 447 44.454 5.361 -20.674 1.00 0.00 O ATOM 0 H GLY A 447 42.353 6.597 -22.719 1.00 0.00 H new ATOM 0 HA2 GLY A 447 44.433 6.225 -23.473 1.00 0.00 H new ATOM 0 HA3 GLY A 447 44.965 7.740 -22.769 1.00 0.00 H new ATOM 494 N GLY A 448 46.406 6.197 -21.386 1.00 0.00 N ATOM 495 CA GLY A 448 47.165 5.547 -20.353 1.00 0.00 C ATOM 496 C GLY A 448 48.118 6.501 -19.690 1.00 0.00 C ATOM 497 O GLY A 448 49.116 6.087 -19.098 1.00 0.00 O ATOM 0 H GLY A 448 46.961 6.751 -22.038 1.00 0.00 H new ATOM 0 HA2 GLY A 448 46.487 5.131 -19.608 1.00 0.00 H new ATOM 0 HA3 GLY A 448 47.721 4.712 -20.779 1.00 0.00 H new ATOM 501 N CYS A 449 47.821 7.786 -19.803 1.00 0.00 N ATOM 502 CA CYS A 449 48.640 8.815 -19.196 1.00 0.00 C ATOM 503 C CYS A 449 48.383 8.862 -17.700 1.00 0.00 C ATOM 504 O CYS A 449 47.250 8.684 -17.258 1.00 0.00 O ATOM 505 CB CYS A 449 48.340 10.173 -19.831 1.00 0.00 C ATOM 506 SG CYS A 449 46.590 10.640 -19.802 1.00 0.00 S ATOM 0 H CYS A 449 47.012 8.140 -20.314 1.00 0.00 H new ATOM 0 HA CYS A 449 49.691 8.579 -19.366 1.00 0.00 H new ATOM 0 HB2 CYS A 449 48.917 10.939 -19.312 1.00 0.00 H new ATOM 0 HB3 CYS A 449 48.684 10.161 -20.865 1.00 0.00 H new ATOM 0 HG CYS A 449 46.281 11.092 -18.623 1.00 0.00 H new ATOM 512 N MET A 450 49.420 9.118 -16.921 1.00 0.00 N ATOM 513 CA MET A 450 49.286 9.140 -15.470 1.00 0.00 C ATOM 514 C MET A 450 48.766 10.501 -14.973 1.00 0.00 C ATOM 515 O MET A 450 49.058 10.941 -13.860 1.00 0.00 O ATOM 516 CB MET A 450 50.607 8.757 -14.800 1.00 0.00 C ATOM 517 CG MET A 450 50.424 8.245 -13.383 1.00 0.00 C ATOM 518 SD MET A 450 51.744 7.143 -12.849 1.00 0.00 S ATOM 519 CE MET A 450 52.995 8.320 -12.390 1.00 0.00 C ATOM 0 H MET A 450 50.361 9.313 -17.264 1.00 0.00 H new ATOM 0 HA MET A 450 48.542 8.395 -15.187 1.00 0.00 H new ATOM 0 HB2 MET A 450 51.102 7.991 -15.397 1.00 0.00 H new ATOM 0 HB3 MET A 450 51.266 9.625 -14.785 1.00 0.00 H new ATOM 0 HG2 MET A 450 50.370 9.094 -12.701 1.00 0.00 H new ATOM 0 HG3 MET A 450 49.471 7.720 -13.314 1.00 0.00 H new ATOM 0 HE1 MET A 450 53.961 7.819 -12.328 1.00 0.00 H new ATOM 0 HE2 MET A 450 53.044 9.110 -13.139 1.00 0.00 H new ATOM 0 HE3 MET A 450 52.748 8.754 -11.421 1.00 0.00 H new ATOM 529 N HIS A 451 47.968 11.129 -15.803 1.00 0.00 N ATOM 530 CA HIS A 451 47.327 12.381 -15.484 1.00 0.00 C ATOM 531 C HIS A 451 45.832 12.191 -15.691 1.00 0.00 C ATOM 532 O HIS A 451 45.393 11.902 -16.806 1.00 0.00 O ATOM 533 CB HIS A 451 47.866 13.494 -16.395 1.00 0.00 C ATOM 534 CG HIS A 451 47.475 14.884 -15.982 1.00 0.00 C ATOM 535 ND1 HIS A 451 48.407 15.774 -15.505 1.00 0.00 N ATOM 536 CD2 HIS A 451 46.264 15.489 -16.018 1.00 0.00 C ATOM 537 CE1 HIS A 451 47.747 16.893 -15.265 1.00 0.00 C ATOM 538 NE2 HIS A 451 46.445 16.768 -15.560 1.00 0.00 N ATOM 0 H HIS A 451 47.743 10.778 -16.734 1.00 0.00 H new ATOM 0 HA HIS A 451 47.530 12.672 -14.453 1.00 0.00 H new ATOM 0 HB2 HIS A 451 48.954 13.429 -16.421 1.00 0.00 H new ATOM 0 HB3 HIS A 451 47.512 13.318 -17.411 1.00 0.00 H new ATOM 0 HD2 HIS A 451 45.334 15.048 -16.345 1.00 0.00 H new ATOM 0 HE1 HIS A 451 48.199 17.795 -14.880 1.00 0.00 H new ATOM 0 HE2 HIS A 451 45.727 17.486 -15.462 1.00 0.00 H new ATOM 546 N MET A 452 45.055 12.317 -14.632 1.00 0.00 N ATOM 547 CA MET A 452 43.627 12.068 -14.726 1.00 0.00 C ATOM 548 C MET A 452 42.823 13.345 -14.693 1.00 0.00 C ATOM 549 O MET A 452 43.086 14.245 -13.894 1.00 0.00 O ATOM 550 CB MET A 452 43.172 11.103 -13.642 1.00 0.00 C ATOM 551 CG MET A 452 42.763 9.764 -14.183 1.00 0.00 C ATOM 552 SD MET A 452 42.497 8.555 -12.886 1.00 0.00 S ATOM 553 CE MET A 452 42.056 7.158 -13.877 1.00 0.00 C ATOM 0 H MET A 452 45.383 12.587 -13.705 1.00 0.00 H new ATOM 0 HA MET A 452 43.444 11.604 -15.695 1.00 0.00 H new ATOM 0 HB2 MET A 452 43.979 10.967 -12.922 1.00 0.00 H new ATOM 0 HB3 MET A 452 42.333 11.542 -13.101 1.00 0.00 H new ATOM 0 HG2 MET A 452 41.849 9.875 -14.766 1.00 0.00 H new ATOM 0 HG3 MET A 452 43.533 9.400 -14.863 1.00 0.00 H new ATOM 0 HE1 MET A 452 41.040 6.847 -13.635 1.00 0.00 H new ATOM 0 HE2 MET A 452 42.112 7.428 -14.932 1.00 0.00 H new ATOM 0 HE3 MET A 452 42.744 6.337 -13.676 1.00 0.00 H new ATOM 563 N VAL A 453 41.841 13.412 -15.565 1.00 0.00 N ATOM 564 CA VAL A 453 41.005 14.582 -15.709 1.00 0.00 C ATOM 565 C VAL A 453 39.552 14.222 -15.523 1.00 0.00 C ATOM 566 O VAL A 453 39.059 13.285 -16.150 1.00 0.00 O ATOM 567 CB VAL A 453 41.149 15.174 -17.120 1.00 0.00 C ATOM 568 CG1 VAL A 453 40.356 16.464 -17.255 1.00 0.00 C ATOM 569 CG2 VAL A 453 42.607 15.384 -17.477 1.00 0.00 C ATOM 0 H VAL A 453 41.599 12.650 -16.198 1.00 0.00 H new ATOM 0 HA VAL A 453 41.321 15.302 -14.954 1.00 0.00 H new ATOM 0 HB VAL A 453 40.736 14.456 -17.828 1.00 0.00 H new ATOM 0 HG11 VAL A 453 40.476 16.861 -18.263 1.00 0.00 H new ATOM 0 HG12 VAL A 453 39.301 16.264 -17.067 1.00 0.00 H new ATOM 0 HG13 VAL A 453 40.722 17.193 -16.532 1.00 0.00 H new ATOM 0 HG21 VAL A 453 42.679 15.804 -18.480 1.00 0.00 H new ATOM 0 HG22 VAL A 453 43.061 16.071 -16.763 1.00 0.00 H new ATOM 0 HG23 VAL A 453 43.131 14.429 -17.445 1.00 0.00 H new ATOM 579 N CYS A 454 38.864 14.957 -14.668 1.00 0.00 N ATOM 580 CA CYS A 454 37.449 14.762 -14.497 1.00 0.00 C ATOM 581 C CYS A 454 36.744 15.261 -15.742 1.00 0.00 C ATOM 582 O CYS A 454 36.718 16.465 -16.023 1.00 0.00 O ATOM 583 CB CYS A 454 36.935 15.501 -13.261 1.00 0.00 C ATOM 584 SG CYS A 454 35.185 15.174 -12.879 1.00 0.00 S ATOM 0 H CYS A 454 39.267 15.691 -14.086 1.00 0.00 H new ATOM 0 HA CYS A 454 37.245 13.701 -14.349 1.00 0.00 H new ATOM 0 HB2 CYS A 454 37.543 15.218 -12.402 1.00 0.00 H new ATOM 0 HB3 CYS A 454 37.070 16.573 -13.408 1.00 0.00 H new ATOM 589 N THR A 455 36.196 14.342 -16.491 1.00 0.00 N ATOM 590 CA THR A 455 35.536 14.663 -17.733 1.00 0.00 C ATOM 591 C THR A 455 34.086 15.111 -17.504 1.00 0.00 C ATOM 592 O THR A 455 33.322 15.293 -18.453 1.00 0.00 O ATOM 593 CB THR A 455 35.624 13.473 -18.732 1.00 0.00 C ATOM 594 OG1 THR A 455 34.730 13.645 -19.840 1.00 0.00 O ATOM 595 CG2 THR A 455 35.352 12.159 -18.033 1.00 0.00 C ATOM 0 H THR A 455 36.193 13.349 -16.259 1.00 0.00 H new ATOM 0 HA THR A 455 36.059 15.508 -18.180 1.00 0.00 H new ATOM 0 HB THR A 455 36.641 13.454 -19.124 1.00 0.00 H new ATOM 0 HG1 THR A 455 34.263 14.502 -19.753 1.00 0.00 H new ATOM 0 HG21 THR A 455 35.419 11.343 -18.753 1.00 0.00 H new ATOM 0 HG22 THR A 455 36.088 12.008 -17.243 1.00 0.00 H new ATOM 0 HG23 THR A 455 34.352 12.178 -17.599 1.00 0.00 H new ATOM 603 N ARG A 456 33.720 15.308 -16.244 1.00 0.00 N ATOM 604 CA ARG A 456 32.396 15.788 -15.912 1.00 0.00 C ATOM 605 C ARG A 456 32.272 17.256 -16.298 1.00 0.00 C ATOM 606 O ARG A 456 32.995 18.102 -15.768 1.00 0.00 O ATOM 607 CB ARG A 456 32.129 15.623 -14.416 1.00 0.00 C ATOM 608 CG ARG A 456 30.819 16.237 -13.951 1.00 0.00 C ATOM 609 CD ARG A 456 30.721 16.235 -12.439 1.00 0.00 C ATOM 610 NE ARG A 456 29.550 16.975 -11.963 1.00 0.00 N ATOM 611 CZ ARG A 456 29.585 17.907 -11.002 1.00 0.00 C ATOM 612 NH1 ARG A 456 30.738 18.224 -10.408 1.00 0.00 N ATOM 613 NH2 ARG A 456 28.469 18.522 -10.637 1.00 0.00 N ATOM 0 H ARG A 456 34.325 15.141 -15.440 1.00 0.00 H new ATOM 0 HA ARG A 456 31.661 15.203 -16.465 1.00 0.00 H new ATOM 0 HB2 ARG A 456 32.127 14.561 -14.173 1.00 0.00 H new ATOM 0 HB3 ARG A 456 32.949 16.076 -13.859 1.00 0.00 H new ATOM 0 HG2 ARG A 456 30.741 17.259 -14.322 1.00 0.00 H new ATOM 0 HG3 ARG A 456 29.983 15.680 -14.373 1.00 0.00 H new ATOM 0 HD2 ARG A 456 30.670 15.207 -12.081 1.00 0.00 H new ATOM 0 HD3 ARG A 456 31.624 16.675 -12.017 1.00 0.00 H new ATOM 0 HE ARG A 456 28.648 16.767 -12.392 1.00 0.00 H new ATOM 0 HH11 ARG A 456 31.600 17.755 -10.685 1.00 0.00 H new ATOM 0 HH12 ARG A 456 30.756 18.935 -9.677 1.00 0.00 H new ATOM 0 HH21 ARG A 456 27.585 18.285 -11.088 1.00 0.00 H new ATOM 0 HH22 ARG A 456 28.494 19.232 -9.905 1.00 0.00 H new ATOM 627 N ALA A 457 31.379 17.548 -17.236 1.00 0.00 N ATOM 628 CA ALA A 457 31.155 18.915 -17.685 1.00 0.00 C ATOM 629 C ALA A 457 30.741 19.806 -16.521 1.00 0.00 C ATOM 630 O ALA A 457 29.612 19.721 -16.025 1.00 0.00 O ATOM 631 CB ALA A 457 30.105 18.949 -18.786 1.00 0.00 C ATOM 0 H ALA A 457 30.796 16.852 -17.702 1.00 0.00 H new ATOM 0 HA ALA A 457 32.091 19.299 -18.090 1.00 0.00 H new ATOM 0 HB1 ALA A 457 29.950 19.978 -19.110 1.00 0.00 H new ATOM 0 HB2 ALA A 457 30.444 18.350 -19.631 1.00 0.00 H new ATOM 0 HB3 ALA A 457 29.167 18.543 -18.407 1.00 0.00 H new ATOM 637 N GLY A 458 31.659 20.642 -16.080 1.00 0.00 N ATOM 638 CA GLY A 458 31.393 21.516 -14.962 1.00 0.00 C ATOM 639 C GLY A 458 32.427 21.358 -13.870 1.00 0.00 C ATOM 640 O GLY A 458 32.636 22.264 -13.062 1.00 0.00 O ATOM 0 H GLY A 458 32.593 20.733 -16.480 1.00 0.00 H new ATOM 0 HA2 GLY A 458 31.380 22.551 -15.304 1.00 0.00 H new ATOM 0 HA3 GLY A 458 30.403 21.301 -14.560 1.00 0.00 H new ATOM 644 N CYS A 459 33.078 20.198 -13.843 1.00 0.00 N ATOM 645 CA CYS A 459 34.110 19.931 -12.859 1.00 0.00 C ATOM 646 C CYS A 459 35.466 20.292 -13.444 1.00 0.00 C ATOM 647 O CYS A 459 36.073 21.290 -13.051 1.00 0.00 O ATOM 648 CB CYS A 459 34.086 18.450 -12.442 1.00 0.00 C ATOM 649 SG CYS A 459 34.865 18.100 -10.823 1.00 0.00 S ATOM 0 H CYS A 459 32.905 19.431 -14.493 1.00 0.00 H new ATOM 0 HA CYS A 459 33.925 20.537 -11.972 1.00 0.00 H new ATOM 0 HB2 CYS A 459 33.050 18.111 -12.413 1.00 0.00 H new ATOM 0 HB3 CYS A 459 34.592 17.862 -13.208 1.00 0.00 H new ATOM 654 N GLY A 460 35.924 19.483 -14.394 1.00 0.00 N ATOM 655 CA GLY A 460 37.194 19.737 -15.057 1.00 0.00 C ATOM 656 C GLY A 460 38.373 19.698 -14.106 1.00 0.00 C ATOM 657 O GLY A 460 39.403 20.337 -14.354 1.00 0.00 O ATOM 0 H GLY A 460 35.435 18.649 -14.720 1.00 0.00 H new ATOM 0 HA2 GLY A 460 37.343 18.996 -15.843 1.00 0.00 H new ATOM 0 HA3 GLY A 460 37.157 20.713 -15.542 1.00 0.00 H new ATOM 661 N PHE A 461 38.233 18.953 -13.024 1.00 0.00 N ATOM 662 CA PHE A 461 39.288 18.848 -12.042 1.00 0.00 C ATOM 663 C PHE A 461 40.330 17.827 -12.473 1.00 0.00 C ATOM 664 O PHE A 461 39.999 16.793 -13.036 1.00 0.00 O ATOM 665 CB PHE A 461 38.715 18.476 -10.673 1.00 0.00 C ATOM 666 CG PHE A 461 39.765 18.370 -9.608 1.00 0.00 C ATOM 667 CD1 PHE A 461 40.411 19.502 -9.146 1.00 0.00 C ATOM 668 CD2 PHE A 461 40.112 17.141 -9.077 1.00 0.00 C ATOM 669 CE1 PHE A 461 41.382 19.413 -8.177 1.00 0.00 C ATOM 670 CE2 PHE A 461 41.086 17.047 -8.105 1.00 0.00 C ATOM 671 CZ PHE A 461 41.719 18.183 -7.655 1.00 0.00 C ATOM 0 H PHE A 461 37.396 18.412 -12.806 1.00 0.00 H new ATOM 0 HA PHE A 461 39.773 19.821 -11.963 1.00 0.00 H new ATOM 0 HB2 PHE A 461 37.980 19.224 -10.377 1.00 0.00 H new ATOM 0 HB3 PHE A 461 38.188 17.525 -10.752 1.00 0.00 H new ATOM 0 HD1 PHE A 461 40.149 20.468 -9.552 1.00 0.00 H new ATOM 0 HD2 PHE A 461 39.616 16.247 -9.426 1.00 0.00 H new ATOM 0 HE1 PHE A 461 41.880 20.305 -7.826 1.00 0.00 H new ATOM 0 HE2 PHE A 461 41.352 16.083 -7.697 1.00 0.00 H new ATOM 0 HZ PHE A 461 42.480 18.111 -6.892 1.00 0.00 H new ATOM 681 N GLU A 462 41.582 18.129 -12.210 1.00 0.00 N ATOM 682 CA GLU A 462 42.665 17.242 -12.570 1.00 0.00 C ATOM 683 C GLU A 462 43.342 16.688 -11.329 1.00 0.00 C ATOM 684 O GLU A 462 43.734 17.441 -10.431 1.00 0.00 O ATOM 685 CB GLU A 462 43.670 17.975 -13.441 1.00 0.00 C ATOM 686 CG GLU A 462 43.085 18.463 -14.751 1.00 0.00 C ATOM 687 CD GLU A 462 43.998 19.415 -15.466 1.00 0.00 C ATOM 688 OE1 GLU A 462 44.960 18.958 -16.103 1.00 0.00 O ATOM 689 OE2 GLU A 462 43.764 20.638 -15.383 1.00 0.00 O ATOM 0 H GLU A 462 41.876 18.988 -11.745 1.00 0.00 H new ATOM 0 HA GLU A 462 42.255 16.405 -13.134 1.00 0.00 H new ATOM 0 HB2 GLU A 462 44.066 18.827 -12.888 1.00 0.00 H new ATOM 0 HB3 GLU A 462 44.510 17.313 -13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 462 42.880 17.608 -15.395 1.00 0.00 H new ATOM 0 HG3 GLU A 462 42.131 18.954 -14.559 1.00 0.00 H new ATOM 696 N TRP A 463 43.464 15.382 -11.280 1.00 0.00 N ATOM 697 CA TRP A 463 44.079 14.700 -10.165 1.00 0.00 C ATOM 698 C TRP A 463 45.215 13.799 -10.639 1.00 0.00 C ATOM 699 O TRP A 463 45.228 13.354 -11.799 1.00 0.00 O ATOM 700 CB TRP A 463 43.037 13.926 -9.330 1.00 0.00 C ATOM 701 CG TRP A 463 41.924 13.252 -10.102 1.00 0.00 C ATOM 702 CD1 TRP A 463 41.010 13.844 -10.935 1.00 0.00 C ATOM 703 CD2 TRP A 463 41.571 11.864 -10.054 1.00 0.00 C ATOM 704 NE1 TRP A 463 40.134 12.908 -11.421 1.00 0.00 N ATOM 705 CE2 TRP A 463 40.454 11.686 -10.893 1.00 0.00 C ATOM 706 CE3 TRP A 463 42.099 10.756 -9.387 1.00 0.00 C ATOM 707 CZ2 TRP A 463 39.853 10.444 -11.080 1.00 0.00 C ATOM 708 CZ3 TRP A 463 41.503 9.524 -9.571 1.00 0.00 C ATOM 709 CH2 TRP A 463 40.391 9.378 -10.411 1.00 0.00 C ATOM 0 H TRP A 463 43.137 14.758 -12.018 1.00 0.00 H new ATOM 0 HA TRP A 463 44.512 15.453 -9.507 1.00 0.00 H new ATOM 0 HB2 TRP A 463 43.560 13.165 -8.750 1.00 0.00 H new ATOM 0 HB3 TRP A 463 42.588 14.618 -8.617 1.00 0.00 H new ATOM 0 HD1 TRP A 463 40.984 14.897 -11.174 1.00 0.00 H new ATOM 0 HE1 TRP A 463 39.369 13.092 -12.070 1.00 0.00 H new ATOM 0 HE3 TRP A 463 42.957 10.861 -8.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 38.996 10.326 -11.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 41.900 8.660 -9.060 1.00 0.00 H new ATOM 0 HH2 TRP A 463 39.948 8.401 -10.533 1.00 0.00 H new ATOM 720 N CYS A 464 46.169 13.531 -9.759 1.00 0.00 N ATOM 721 CA CYS A 464 47.351 12.781 -10.145 1.00 0.00 C ATOM 722 C CYS A 464 47.150 11.257 -10.070 1.00 0.00 C ATOM 723 O CYS A 464 47.457 10.640 -9.069 1.00 0.00 O ATOM 724 CB CYS A 464 48.579 13.245 -9.342 1.00 0.00 C ATOM 725 SG CYS A 464 48.423 13.148 -7.527 1.00 0.00 S ATOM 0 H CYS A 464 46.147 13.820 -8.781 1.00 0.00 H new ATOM 0 HA CYS A 464 47.535 12.998 -11.197 1.00 0.00 H new ATOM 0 HB2 CYS A 464 49.437 12.645 -9.647 1.00 0.00 H new ATOM 0 HB3 CYS A 464 48.799 14.277 -9.614 1.00 0.00 H new ATOM 730 N TRP A 465 46.682 10.695 -11.195 1.00 0.00 N ATOM 731 CA TRP A 465 46.383 9.253 -11.423 1.00 0.00 C ATOM 732 C TRP A 465 46.493 8.338 -10.183 1.00 0.00 C ATOM 733 O TRP A 465 45.479 7.906 -9.637 1.00 0.00 O ATOM 734 CB TRP A 465 47.286 8.748 -12.546 1.00 0.00 C ATOM 735 CG TRP A 465 47.111 7.310 -12.933 1.00 0.00 C ATOM 736 CD1 TRP A 465 47.702 6.228 -12.352 1.00 0.00 C ATOM 737 CD2 TRP A 465 46.336 6.808 -14.020 1.00 0.00 C ATOM 738 NE1 TRP A 465 47.312 5.082 -12.989 1.00 0.00 N ATOM 739 CE2 TRP A 465 46.478 5.411 -14.021 1.00 0.00 C ATOM 740 CE3 TRP A 465 45.525 7.405 -14.986 1.00 0.00 C ATOM 741 CZ2 TRP A 465 45.840 4.601 -14.953 1.00 0.00 C ATOM 742 CZ3 TRP A 465 44.896 6.600 -15.912 1.00 0.00 C ATOM 743 CH2 TRP A 465 45.055 5.212 -15.890 1.00 0.00 C ATOM 0 H TRP A 465 46.487 11.257 -12.023 1.00 0.00 H new ATOM 0 HA TRP A 465 45.328 9.198 -11.692 1.00 0.00 H new ATOM 0 HB2 TRP A 465 47.115 9.365 -13.428 1.00 0.00 H new ATOM 0 HB3 TRP A 465 48.323 8.900 -12.248 1.00 0.00 H new ATOM 0 HD1 TRP A 465 48.379 6.269 -11.512 1.00 0.00 H new ATOM 0 HE1 TRP A 465 47.597 4.136 -12.735 1.00 0.00 H new ATOM 0 HE3 TRP A 465 45.393 8.477 -15.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 45.960 3.528 -14.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 44.269 7.050 -16.668 1.00 0.00 H new ATOM 0 HH2 TRP A 465 44.547 4.610 -16.629 1.00 0.00 H new ATOM 754 N VAL A 466 47.729 8.035 -9.771 1.00 0.00 N ATOM 755 CA VAL A 466 47.978 7.100 -8.660 1.00 0.00 C ATOM 756 C VAL A 466 47.267 7.549 -7.382 1.00 0.00 C ATOM 757 O VAL A 466 46.614 6.745 -6.707 1.00 0.00 O ATOM 758 CB VAL A 466 49.490 6.944 -8.357 1.00 0.00 C ATOM 759 CG1 VAL A 466 49.748 5.702 -7.524 1.00 0.00 C ATOM 760 CG2 VAL A 466 50.319 6.923 -9.634 1.00 0.00 C ATOM 0 H VAL A 466 48.575 8.422 -10.188 1.00 0.00 H new ATOM 0 HA VAL A 466 47.580 6.137 -8.982 1.00 0.00 H new ATOM 0 HB VAL A 466 49.801 7.815 -7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 466 50.816 5.613 -7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 466 49.207 5.778 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 466 49.407 4.821 -8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 466 51.374 6.812 -9.381 1.00 0.00 H new ATOM 0 HG22 VAL A 466 50.005 6.086 -10.258 1.00 0.00 H new ATOM 0 HG23 VAL A 466 50.172 7.856 -10.178 1.00 0.00 H new ATOM 770 N CYS A 467 47.384 8.830 -7.072 1.00 0.00 N ATOM 771 CA CYS A 467 46.770 9.392 -5.888 1.00 0.00 C ATOM 772 C CYS A 467 45.328 9.762 -6.182 1.00 0.00 C ATOM 773 O CYS A 467 45.066 10.741 -6.878 1.00 0.00 O ATOM 774 CB CYS A 467 47.529 10.645 -5.444 1.00 0.00 C ATOM 775 SG CYS A 467 49.319 10.403 -5.175 1.00 0.00 S ATOM 0 H CYS A 467 47.905 9.504 -7.633 1.00 0.00 H new ATOM 0 HA CYS A 467 46.803 8.648 -5.092 1.00 0.00 H new ATOM 0 HB2 CYS A 467 47.391 11.422 -6.196 1.00 0.00 H new ATOM 0 HB3 CYS A 467 47.084 11.014 -4.520 1.00 0.00 H new ATOM 780 N GLN A 468 44.391 8.990 -5.656 1.00 0.00 N ATOM 781 CA GLN A 468 42.979 9.273 -5.875 1.00 0.00 C ATOM 782 C GLN A 468 42.522 10.396 -4.948 1.00 0.00 C ATOM 783 O GLN A 468 41.612 10.234 -4.122 1.00 0.00 O ATOM 784 CB GLN A 468 42.128 8.017 -5.691 1.00 0.00 C ATOM 785 CG GLN A 468 42.574 6.857 -6.568 1.00 0.00 C ATOM 786 CD GLN A 468 41.561 5.735 -6.618 1.00 0.00 C ATOM 787 OE1 GLN A 468 40.697 5.701 -7.494 1.00 0.00 O ATOM 788 NE2 GLN A 468 41.657 4.809 -5.686 1.00 0.00 N ATOM 0 H GLN A 468 44.578 8.170 -5.079 1.00 0.00 H new ATOM 0 HA GLN A 468 42.846 9.602 -6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 468 42.167 7.710 -4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 468 41.088 8.255 -5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 468 42.756 7.221 -7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 468 43.521 6.468 -6.194 1.00 0.00 H new ATOM 0 HE21 GLN A 468 42.387 4.873 -4.977 1.00 0.00 H new ATOM 0 HE22 GLN A 468 41.001 4.028 -5.673 1.00 0.00 H new ATOM 797 N THR A 469 43.183 11.519 -5.094 1.00 0.00 N ATOM 798 CA THR A 469 42.941 12.707 -4.317 1.00 0.00 C ATOM 799 C THR A 469 43.171 13.917 -5.202 1.00 0.00 C ATOM 800 O THR A 469 43.233 13.788 -6.413 1.00 0.00 O ATOM 801 CB THR A 469 43.902 12.778 -3.105 1.00 0.00 C ATOM 802 OG1 THR A 469 45.243 12.485 -3.532 1.00 0.00 O ATOM 803 CG2 THR A 469 43.492 11.800 -2.009 1.00 0.00 C ATOM 0 H THR A 469 43.929 11.633 -5.780 1.00 0.00 H new ATOM 0 HA THR A 469 41.916 12.687 -3.946 1.00 0.00 H new ATOM 0 HB THR A 469 43.853 13.787 -2.696 1.00 0.00 H new ATOM 0 HG1 THR A 469 45.849 12.532 -2.763 1.00 0.00 H new ATOM 0 HG21 THR A 469 44.188 11.877 -1.174 1.00 0.00 H new ATOM 0 HG22 THR A 469 42.486 12.039 -1.666 1.00 0.00 H new ATOM 0 HG23 THR A 469 43.509 10.784 -2.403 1.00 0.00 H new ATOM 811 N GLU A 470 43.296 15.078 -4.610 1.00 0.00 N ATOM 812 CA GLU A 470 43.572 16.284 -5.367 1.00 0.00 C ATOM 813 C GLU A 470 45.018 16.297 -5.855 1.00 0.00 C ATOM 814 O GLU A 470 45.846 15.498 -5.395 1.00 0.00 O ATOM 815 CB GLU A 470 43.299 17.516 -4.510 1.00 0.00 C ATOM 816 CG GLU A 470 44.127 17.561 -3.237 1.00 0.00 C ATOM 817 CD GLU A 470 43.927 18.835 -2.463 1.00 0.00 C ATOM 818 OE1 GLU A 470 44.668 19.801 -2.704 1.00 0.00 O ATOM 819 OE2 GLU A 470 43.028 18.881 -1.601 1.00 0.00 O ATOM 0 H GLU A 470 43.212 15.219 -3.603 1.00 0.00 H new ATOM 0 HA GLU A 470 42.914 16.301 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 470 43.502 18.411 -5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 470 42.241 17.540 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 470 43.864 16.712 -2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 470 45.182 17.455 -3.490 1.00 0.00 H new ATOM 826 N TRP A 471 45.311 17.203 -6.788 1.00 0.00 N ATOM 827 CA TRP A 471 46.650 17.346 -7.328 1.00 0.00 C ATOM 828 C TRP A 471 47.644 17.626 -6.191 1.00 0.00 C ATOM 829 O TRP A 471 47.577 18.655 -5.521 1.00 0.00 O ATOM 830 CB TRP A 471 46.684 18.446 -8.440 1.00 0.00 C ATOM 831 CG TRP A 471 46.727 19.884 -7.966 1.00 0.00 C ATOM 832 CD1 TRP A 471 47.750 20.764 -8.166 1.00 0.00 C ATOM 833 CD2 TRP A 471 45.722 20.607 -7.226 1.00 0.00 C ATOM 834 NE1 TRP A 471 47.450 21.977 -7.606 1.00 0.00 N ATOM 835 CE2 TRP A 471 46.216 21.908 -7.023 1.00 0.00 C ATOM 836 CE3 TRP A 471 44.462 20.285 -6.722 1.00 0.00 C ATOM 837 CZ2 TRP A 471 45.496 22.882 -6.336 1.00 0.00 C ATOM 838 CZ3 TRP A 471 43.750 21.251 -6.040 1.00 0.00 C ATOM 839 CH2 TRP A 471 44.267 22.535 -5.853 1.00 0.00 C ATOM 0 H TRP A 471 44.629 17.850 -7.184 1.00 0.00 H new ATOM 0 HA TRP A 471 46.951 16.413 -7.804 1.00 0.00 H new ATOM 0 HB2 TRP A 471 47.556 18.268 -9.070 1.00 0.00 H new ATOM 0 HB3 TRP A 471 45.804 18.321 -9.071 1.00 0.00 H new ATOM 0 HD1 TRP A 471 48.666 20.536 -8.691 1.00 0.00 H new ATOM 0 HE1 TRP A 471 48.052 22.801 -7.622 1.00 0.00 H new ATOM 0 HE3 TRP A 471 44.050 19.297 -6.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 45.895 23.875 -6.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 42.775 21.009 -5.644 1.00 0.00 H new ATOM 0 HH2 TRP A 471 43.683 23.268 -5.316 1.00 0.00 H new ATOM 850 N THR A 472 48.525 16.687 -5.952 1.00 0.00 N ATOM 851 CA THR A 472 49.457 16.803 -4.859 1.00 0.00 C ATOM 852 C THR A 472 50.796 17.385 -5.328 1.00 0.00 C ATOM 853 O THR A 472 51.395 16.908 -6.291 1.00 0.00 O ATOM 854 CB THR A 472 49.659 15.438 -4.179 1.00 0.00 C ATOM 855 OG1 THR A 472 48.371 14.848 -3.918 1.00 0.00 O ATOM 856 CG2 THR A 472 50.413 15.590 -2.863 1.00 0.00 C ATOM 0 H THR A 472 48.616 15.832 -6.501 1.00 0.00 H new ATOM 0 HA THR A 472 49.037 17.494 -4.128 1.00 0.00 H new ATOM 0 HB THR A 472 50.244 14.802 -4.843 1.00 0.00 H new ATOM 0 HG1 THR A 472 48.492 13.977 -3.486 1.00 0.00 H new ATOM 0 HG21 THR A 472 50.543 14.611 -2.403 1.00 0.00 H new ATOM 0 HG22 THR A 472 51.390 16.034 -3.053 1.00 0.00 H new ATOM 0 HG23 THR A 472 49.846 16.235 -2.191 1.00 0.00 H new ATOM 864 N ARG A 473 51.258 18.419 -4.632 1.00 0.00 N ATOM 865 CA ARG A 473 52.501 19.108 -4.989 1.00 0.00 C ATOM 866 C ARG A 473 53.733 18.404 -4.423 1.00 0.00 C ATOM 867 O ARG A 473 54.844 18.920 -4.496 1.00 0.00 O ATOM 868 CB ARG A 473 52.468 20.572 -4.519 1.00 0.00 C ATOM 869 CG ARG A 473 51.793 21.537 -5.495 1.00 0.00 C ATOM 870 CD ARG A 473 50.306 21.252 -5.662 1.00 0.00 C ATOM 871 NE ARG A 473 49.535 21.549 -4.450 1.00 0.00 N ATOM 872 CZ ARG A 473 48.838 22.681 -4.254 1.00 0.00 C ATOM 873 NH1 ARG A 473 48.887 23.668 -5.148 1.00 0.00 N ATOM 874 NH2 ARG A 473 48.103 22.827 -3.157 1.00 0.00 N ATOM 0 H ARG A 473 50.789 18.803 -3.812 1.00 0.00 H new ATOM 0 HA ARG A 473 52.576 19.083 -6.076 1.00 0.00 H new ATOM 0 HB2 ARG A 473 51.949 20.621 -3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 473 53.490 20.907 -4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 473 51.926 22.559 -5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 473 52.284 21.469 -6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 473 49.917 21.845 -6.490 1.00 0.00 H new ATOM 0 HD3 ARG A 473 50.168 20.204 -5.928 1.00 0.00 H new ATOM 0 HE ARG A 473 49.527 20.850 -3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 473 49.456 23.567 -5.988 1.00 0.00 H new ATOM 0 HH12 ARG A 473 48.355 24.524 -4.992 1.00 0.00 H new ATOM 0 HH21 ARG A 473 48.068 22.080 -2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 473 47.574 23.686 -3.008 1.00 0.00 H new ATOM 888 N ASP A 474 53.536 17.228 -3.867 1.00 0.00 N ATOM 889 CA ASP A 474 54.642 16.459 -3.305 1.00 0.00 C ATOM 890 C ASP A 474 54.999 15.291 -4.203 1.00 0.00 C ATOM 891 O ASP A 474 56.065 14.691 -4.074 1.00 0.00 O ATOM 892 CB ASP A 474 54.306 15.973 -1.896 1.00 0.00 C ATOM 893 CG ASP A 474 54.153 17.120 -0.926 1.00 0.00 C ATOM 894 OD1 ASP A 474 55.181 17.646 -0.452 1.00 0.00 O ATOM 895 OD2 ASP A 474 53.011 17.519 -0.648 1.00 0.00 O ATOM 0 H ASP A 474 52.624 16.778 -3.789 1.00 0.00 H new ATOM 0 HA ASP A 474 55.510 17.116 -3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 474 53.383 15.394 -1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 474 55.092 15.304 -1.546 1.00 0.00 H new ATOM 900 N CYS A 475 54.105 14.974 -5.118 1.00 0.00 N ATOM 901 CA CYS A 475 54.330 13.902 -6.064 1.00 0.00 C ATOM 902 C CYS A 475 54.213 14.428 -7.489 1.00 0.00 C ATOM 903 O CYS A 475 54.193 13.658 -8.459 1.00 0.00 O ATOM 904 CB CYS A 475 53.336 12.777 -5.817 1.00 0.00 C ATOM 905 SG CYS A 475 51.607 13.321 -5.724 1.00 0.00 S ATOM 0 H CYS A 475 53.209 15.449 -5.226 1.00 0.00 H new ATOM 0 HA CYS A 475 55.337 13.508 -5.928 1.00 0.00 H new ATOM 0 HB2 CYS A 475 53.431 12.041 -6.615 1.00 0.00 H new ATOM 0 HB3 CYS A 475 53.598 12.274 -4.886 1.00 0.00 H new ATOM 910 N MET A 476 54.145 15.747 -7.604 1.00 0.00 N ATOM 911 CA MET A 476 54.030 16.405 -8.891 1.00 0.00 C ATOM 912 C MET A 476 55.270 16.160 -9.739 1.00 0.00 C ATOM 913 O MET A 476 56.341 15.825 -9.217 1.00 0.00 O ATOM 914 CB MET A 476 53.759 17.916 -8.718 1.00 0.00 C ATOM 915 CG MET A 476 54.797 18.678 -7.891 1.00 0.00 C ATOM 916 SD MET A 476 56.354 18.968 -8.764 1.00 0.00 S ATOM 917 CE MET A 476 55.818 20.070 -10.071 1.00 0.00 C ATOM 0 H MET A 476 54.168 16.386 -6.809 1.00 0.00 H new ATOM 0 HA MET A 476 53.178 15.974 -9.416 1.00 0.00 H new ATOM 0 HB2 MET A 476 53.700 18.373 -9.706 1.00 0.00 H new ATOM 0 HB3 MET A 476 52.783 18.042 -8.250 1.00 0.00 H new ATOM 0 HG2 MET A 476 54.376 19.637 -7.590 1.00 0.00 H new ATOM 0 HG3 MET A 476 55.002 18.119 -6.978 1.00 0.00 H new ATOM 0 HE1 MET A 476 56.678 20.611 -10.466 1.00 0.00 H new ATOM 0 HE2 MET A 476 55.356 19.490 -10.870 1.00 0.00 H new ATOM 0 HE3 MET A 476 55.093 20.781 -9.673 1.00 0.00 H new ATOM 927 N GLY A 477 55.121 16.301 -11.040 1.00 0.00 N ATOM 928 CA GLY A 477 56.225 16.056 -11.944 1.00 0.00 C ATOM 929 C GLY A 477 56.358 14.585 -12.279 1.00 0.00 C ATOM 930 O GLY A 477 56.477 14.213 -13.443 1.00 0.00 O ATOM 0 H GLY A 477 54.251 16.582 -11.493 1.00 0.00 H new ATOM 0 HA2 GLY A 477 56.078 16.626 -12.861 1.00 0.00 H new ATOM 0 HA3 GLY A 477 57.151 16.412 -11.492 1.00 0.00 H new ATOM 934 N ALA A 478 56.330 13.751 -11.250 1.00 0.00 N ATOM 935 CA ALA A 478 56.417 12.311 -11.420 1.00 0.00 C ATOM 936 C ALA A 478 55.090 11.748 -11.907 1.00 0.00 C ATOM 937 O ALA A 478 55.056 10.833 -12.720 1.00 0.00 O ATOM 938 CB ALA A 478 56.823 11.652 -10.113 1.00 0.00 C ATOM 0 H ALA A 478 56.247 14.053 -10.279 1.00 0.00 H new ATOM 0 HA ALA A 478 57.177 12.097 -12.171 1.00 0.00 H new ATOM 0 HB1 ALA A 478 56.885 10.573 -10.253 1.00 0.00 H new ATOM 0 HB2 ALA A 478 57.795 12.033 -9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 478 56.081 11.876 -9.347 1.00 0.00 H new ATOM 944 N HIS A 479 53.997 12.302 -11.396 1.00 0.00 N ATOM 945 CA HIS A 479 52.664 11.861 -11.795 1.00 0.00 C ATOM 946 C HIS A 479 52.282 12.400 -13.159 1.00 0.00 C ATOM 947 O HIS A 479 51.869 11.639 -14.027 1.00 0.00 O ATOM 948 CB HIS A 479 51.611 12.295 -10.785 1.00 0.00 C ATOM 949 CG HIS A 479 51.481 11.417 -9.575 1.00 0.00 C ATOM 950 ND1 HIS A 479 50.320 10.763 -9.232 1.00 0.00 N ATOM 951 CD2 HIS A 479 52.354 11.158 -8.584 1.00 0.00 C ATOM 952 CE1 HIS A 479 50.515 10.159 -8.067 1.00 0.00 C ATOM 953 NE2 HIS A 479 51.728 10.365 -7.624 1.00 0.00 N ATOM 0 H HIS A 479 54.006 13.054 -10.707 1.00 0.00 H new ATOM 0 HA HIS A 479 52.699 10.772 -11.838 1.00 0.00 H new ATOM 0 HB2 HIS A 479 51.843 13.308 -10.455 1.00 0.00 H new ATOM 0 HB3 HIS A 479 50.645 12.337 -11.288 1.00 0.00 H new ATOM 0 HD2 HIS A 479 53.375 11.508 -8.540 1.00 0.00 H new ATOM 0 HE1 HIS A 479 49.769 9.573 -7.551 1.00 0.00 H new ATOM 0 HE2 HIS A 479 52.133 10.017 -6.755 1.00 0.00 H new ATOM 961 N TRP A 480 52.418 13.716 -13.333 1.00 0.00 N ATOM 962 CA TRP A 480 52.004 14.396 -14.565 1.00 0.00 C ATOM 963 C TRP A 480 52.613 13.746 -15.795 1.00 0.00 C ATOM 964 O TRP A 480 53.768 14.015 -16.132 1.00 0.00 O ATOM 965 CB TRP A 480 52.403 15.872 -14.554 1.00 0.00 C ATOM 966 CG TRP A 480 52.084 16.635 -13.298 1.00 0.00 C ATOM 967 CD1 TRP A 480 52.818 17.660 -12.788 1.00 0.00 C ATOM 968 CD2 TRP A 480 50.967 16.457 -12.396 1.00 0.00 C ATOM 969 NE1 TRP A 480 52.247 18.131 -11.644 1.00 0.00 N ATOM 970 CE2 TRP A 480 51.112 17.419 -11.379 1.00 0.00 C ATOM 971 CE3 TRP A 480 49.861 15.589 -12.343 1.00 0.00 C ATOM 972 CZ2 TRP A 480 50.206 17.540 -10.332 1.00 0.00 C ATOM 973 CZ3 TRP A 480 48.972 15.719 -11.307 1.00 0.00 C ATOM 974 CH2 TRP A 480 49.146 16.685 -10.317 1.00 0.00 C ATOM 0 H TRP A 480 52.816 14.338 -12.630 1.00 0.00 H new ATOM 0 HA TRP A 480 50.918 14.311 -14.608 1.00 0.00 H new ATOM 0 HB2 TRP A 480 53.476 15.938 -14.732 1.00 0.00 H new ATOM 0 HB3 TRP A 480 51.910 16.367 -15.391 1.00 0.00 H new ATOM 0 HD1 TRP A 480 53.726 18.046 -13.228 1.00 0.00 H new ATOM 0 HE1 TRP A 480 52.610 18.895 -11.075 1.00 0.00 H new ATOM 0 HE3 TRP A 480 49.715 14.836 -13.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 50.338 18.284 -9.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 48.119 15.059 -11.257 1.00 0.00 H new ATOM 0 HH2 TRP A 480 48.422 16.757 -9.518 1.00 0.00 H new ATOM 985 N PHE A 481 51.833 12.885 -16.448 1.00 0.00 N ATOM 986 CA PHE A 481 52.258 12.201 -17.669 1.00 0.00 C ATOM 987 C PHE A 481 53.577 11.453 -17.446 1.00 0.00 C ATOM 988 O PHE A 481 54.383 11.293 -18.370 1.00 0.00 O ATOM 989 CB PHE A 481 52.391 13.208 -18.819 1.00 0.00 C ATOM 990 CG PHE A 481 51.140 14.009 -19.066 1.00 0.00 C ATOM 991 CD1 PHE A 481 50.079 13.465 -19.772 1.00 0.00 C ATOM 992 CD2 PHE A 481 51.021 15.304 -18.584 1.00 0.00 C ATOM 993 CE1 PHE A 481 48.927 14.194 -19.995 1.00 0.00 C ATOM 994 CE2 PHE A 481 49.872 16.039 -18.804 1.00 0.00 C ATOM 995 CZ PHE A 481 48.824 15.483 -19.510 1.00 0.00 C ATOM 0 H PHE A 481 50.890 12.642 -16.146 1.00 0.00 H new ATOM 0 HA PHE A 481 51.499 11.466 -17.936 1.00 0.00 H new ATOM 0 HB2 PHE A 481 53.212 13.891 -18.600 1.00 0.00 H new ATOM 0 HB3 PHE A 481 52.656 12.673 -19.731 1.00 0.00 H new ATOM 0 HD1 PHE A 481 50.154 12.457 -20.153 1.00 0.00 H new ATOM 0 HD2 PHE A 481 51.837 15.744 -18.030 1.00 0.00 H new ATOM 0 HE1 PHE A 481 48.108 13.757 -20.548 1.00 0.00 H new ATOM 0 HE2 PHE A 481 49.794 17.047 -18.424 1.00 0.00 H new ATOM 0 HZ PHE A 481 47.925 16.055 -19.683 1.00 0.00 H new ATOM 1005 N GLY A 482 53.777 10.983 -16.220 1.00 0.00 N ATOM 1006 CA GLY A 482 54.985 10.275 -15.883 1.00 0.00 C ATOM 1007 C GLY A 482 55.066 8.934 -16.566 1.00 0.00 C ATOM 1008 O GLY A 482 54.005 8.317 -16.801 1.00 0.00 O ATOM 1009 OXT GLY A 482 56.190 8.496 -16.891 1.00 0.00 O ATOM 0 H GLY A 482 53.114 11.084 -15.451 1.00 0.00 H new ATOM 0 HA2 GLY A 482 55.848 10.878 -16.165 1.00 0.00 H new ATOM 0 HA3 GLY A 482 55.033 10.135 -14.803 1.00 0.00 H new TER 1013 GLY A 482 HETATM 1014 ZN ZN A 1 34.851 15.822 -10.795 1.00 0.00 ZN HETATM 1015 ZN ZN A 2 50.116 12.006 -6.585 1.00 0.00 ZN