USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 438 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 NoAdj-H: A 16 HIS HE2 : A 16 HIS NE2 : A 53 ZNZN :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 54 ZNZN :(H bumps) USER MOD Set 1.1: A 15 ASN :FLIP amide:sc= -6! C(o=-5.2!,f=-4.4!) USER MOD Set 1.2: A 42 THR OG1 : rot 64:sc= 1.59 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 20:sc= 0.00611 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.7! USER MOD Single : A 9 ASN : amide:sc= -5.7! C(o=-5.7!,f=-10!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.24! USER MOD Single : A 23 LYS NZ :NH3+ 154:sc=-0.000108 (180deg=-0.665) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.2!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -21.690 16.135 8.328 1.00 0.00 N ATOM 2 CA SER A 1 -21.605 14.773 7.728 1.00 0.00 C ATOM 3 C SER A 1 -20.309 14.083 8.164 1.00 0.00 C ATOM 4 O SER A 1 -19.319 14.726 8.450 1.00 0.00 O ATOM 5 CB SER A 1 -21.607 15.006 6.218 1.00 0.00 C ATOM 6 OG SER A 1 -22.762 14.401 5.650 1.00 0.00 O ATOM 0 H1 SER A 1 -22.573 16.593 8.025 1.00 0.00 H new ATOM 0 H2 SER A 1 -21.677 16.059 9.365 1.00 0.00 H new ATOM 0 H3 SER A 1 -20.879 16.704 8.013 1.00 0.00 H new ATOM 0 HA SER A 1 -22.427 14.130 8.042 1.00 0.00 H new ATOM 0 HB2 SER A 1 -21.600 16.075 6.003 1.00 0.00 H new ATOM 0 HB3 SER A 1 -20.706 14.585 5.772 1.00 0.00 H new ATOM 0 HG SER A 1 -22.767 14.550 4.681 1.00 0.00 H new ATOM 14 N ILE A 2 -20.308 12.779 8.217 1.00 0.00 N ATOM 15 CA ILE A 2 -19.075 12.052 8.635 1.00 0.00 C ATOM 16 C ILE A 2 -18.539 11.207 7.476 1.00 0.00 C ATOM 17 O ILE A 2 -17.656 10.391 7.647 1.00 0.00 O ATOM 18 CB ILE A 2 -19.516 11.160 9.795 1.00 0.00 C ATOM 19 CG1 ILE A 2 -20.322 11.991 10.796 1.00 0.00 C ATOM 20 CG2 ILE A 2 -18.283 10.579 10.491 1.00 0.00 C ATOM 21 CD1 ILE A 2 -21.798 11.989 10.392 1.00 0.00 C ATOM 0 H ILE A 2 -21.106 12.186 7.989 1.00 0.00 H new ATOM 0 HA ILE A 2 -18.273 12.731 8.926 1.00 0.00 H new ATOM 0 HB ILE A 2 -20.134 10.347 9.414 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -20.208 11.581 11.800 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -19.943 13.013 10.824 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -18.598 9.943 11.318 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -17.707 9.989 9.778 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -17.664 11.391 10.873 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -22.371 12.581 11.105 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -21.903 12.419 9.396 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -22.172 10.965 10.386 1.00 0.00 H new ATOM 33 N SER A 3 -19.066 11.399 6.297 1.00 0.00 N ATOM 34 CA SER A 3 -18.585 10.610 5.126 1.00 0.00 C ATOM 35 C SER A 3 -18.451 11.520 3.903 1.00 0.00 C ATOM 36 O SER A 3 -19.192 11.394 2.948 1.00 0.00 O ATOM 37 CB SER A 3 -19.659 9.550 4.891 1.00 0.00 C ATOM 38 OG SER A 3 -19.421 8.442 5.748 1.00 0.00 O ATOM 0 H SER A 3 -19.809 12.068 6.094 1.00 0.00 H new ATOM 0 HA SER A 3 -17.607 10.162 5.301 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.647 9.968 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.647 9.228 3.850 1.00 0.00 H new ATOM 0 HG SER A 3 -18.845 8.720 6.490 1.00 0.00 H new ATOM 44 N PRO A 4 -17.504 12.413 3.980 1.00 0.00 N ATOM 45 CA PRO A 4 -17.257 13.368 2.870 1.00 0.00 C ATOM 46 C PRO A 4 -16.612 12.652 1.681 1.00 0.00 C ATOM 47 O PRO A 4 -16.484 13.204 0.606 1.00 0.00 O ATOM 48 CB PRO A 4 -16.293 14.382 3.481 1.00 0.00 C ATOM 49 CG PRO A 4 -15.607 13.647 4.586 1.00 0.00 C ATOM 50 CD PRO A 4 -16.579 12.617 5.100 1.00 0.00 C ATOM 0 HA PRO A 4 -18.169 13.828 2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -15.577 14.741 2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -16.826 15.255 3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.696 13.171 4.225 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -15.315 14.332 5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -16.072 11.691 5.373 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -17.101 12.969 5.990 1.00 0.00 H new ATOM 58 N ARG A 5 -16.203 11.427 1.866 1.00 0.00 N ATOM 59 CA ARG A 5 -15.563 10.678 0.747 1.00 0.00 C ATOM 60 C ARG A 5 -16.582 9.752 0.078 1.00 0.00 C ATOM 61 O ARG A 5 -16.550 8.549 0.249 1.00 0.00 O ATOM 62 CB ARG A 5 -14.448 9.864 1.404 1.00 0.00 C ATOM 63 CG ARG A 5 -13.230 9.833 0.480 1.00 0.00 C ATOM 64 CD ARG A 5 -12.927 8.386 0.083 1.00 0.00 C ATOM 65 NE ARG A 5 -14.094 7.963 -0.740 1.00 0.00 N ATOM 66 CZ ARG A 5 -13.905 7.440 -1.919 1.00 0.00 C ATOM 67 NH1 ARG A 5 -13.132 8.041 -2.782 1.00 0.00 N ATOM 68 NH2 ARG A 5 -14.488 6.317 -2.235 1.00 0.00 N ATOM 0 H ARG A 5 -16.284 10.912 2.743 1.00 0.00 H new ATOM 0 HA ARG A 5 -15.181 11.341 -0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.179 10.304 2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.793 8.849 1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.420 10.433 -0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.368 10.272 0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.998 8.318 -0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.812 7.751 0.961 1.00 0.00 H new ATOM 0 HE ARG A 5 -15.041 8.083 -0.381 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.676 8.919 -2.534 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.984 7.633 -3.705 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.092 5.848 -1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.340 5.908 -3.157 1.00 0.00 H new ATOM 82 N THR A 6 -17.489 10.302 -0.685 1.00 0.00 N ATOM 83 CA THR A 6 -18.507 9.450 -1.363 1.00 0.00 C ATOM 84 C THR A 6 -17.909 8.815 -2.622 1.00 0.00 C ATOM 85 O THR A 6 -17.016 9.367 -3.233 1.00 0.00 O ATOM 86 CB THR A 6 -19.644 10.405 -1.733 1.00 0.00 C ATOM 87 OG1 THR A 6 -20.713 9.666 -2.306 1.00 0.00 O ATOM 88 CG2 THR A 6 -19.141 11.441 -2.738 1.00 0.00 C ATOM 0 H THR A 6 -17.568 11.302 -0.867 1.00 0.00 H new ATOM 0 HA THR A 6 -18.852 8.635 -0.727 1.00 0.00 H new ATOM 0 HB THR A 6 -19.994 10.916 -0.836 1.00 0.00 H new ATOM 0 HG1 THR A 6 -21.443 10.276 -2.542 1.00 0.00 H new ATOM 0 HG21 THR A 6 -19.953 12.119 -2.999 1.00 0.00 H new ATOM 0 HG22 THR A 6 -18.322 12.009 -2.296 1.00 0.00 H new ATOM 0 HG23 THR A 6 -18.788 10.935 -3.637 1.00 0.00 H new ATOM 96 N PRO A 7 -18.426 7.665 -2.963 1.00 0.00 N ATOM 97 CA PRO A 7 -17.941 6.935 -4.162 1.00 0.00 C ATOM 98 C PRO A 7 -18.417 7.626 -5.441 1.00 0.00 C ATOM 99 O PRO A 7 -19.530 8.110 -5.508 1.00 0.00 O ATOM 100 CB PRO A 7 -18.581 5.557 -4.021 1.00 0.00 C ATOM 101 CG PRO A 7 -19.798 5.779 -3.180 1.00 0.00 C ATOM 102 CD PRO A 7 -19.500 6.945 -2.272 1.00 0.00 C ATOM 0 HA PRO A 7 -16.854 6.894 -4.227 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -18.844 5.143 -4.994 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -17.898 4.851 -3.548 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -20.666 5.989 -3.805 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -20.033 4.888 -2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -20.378 7.576 -2.131 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -19.185 6.611 -1.283 1.00 0.00 H new ATOM 110 N PRO A 8 -17.553 7.645 -6.419 1.00 0.00 N ATOM 111 CA PRO A 8 -17.887 8.279 -7.717 1.00 0.00 C ATOM 112 C PRO A 8 -18.871 7.405 -8.501 1.00 0.00 C ATOM 113 O PRO A 8 -18.797 6.195 -8.465 1.00 0.00 O ATOM 114 CB PRO A 8 -16.542 8.361 -8.433 1.00 0.00 C ATOM 115 CG PRO A 8 -15.710 7.277 -7.823 1.00 0.00 C ATOM 116 CD PRO A 8 -16.198 7.085 -6.409 1.00 0.00 C ATOM 0 HA PRO A 8 -18.366 9.252 -7.608 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -16.657 8.213 -9.507 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -16.080 9.338 -8.294 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -15.805 6.352 -8.392 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.655 7.550 -7.832 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -16.204 6.032 -6.129 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.559 7.601 -5.693 1.00 0.00 H new ATOM 124 N ASN A 9 -19.789 8.019 -9.203 1.00 0.00 N ATOM 125 CA ASN A 9 -20.798 7.255 -10.001 1.00 0.00 C ATOM 126 C ASN A 9 -21.489 6.185 -9.154 1.00 0.00 C ATOM 127 O ASN A 9 -21.029 5.805 -8.097 1.00 0.00 O ATOM 128 CB ASN A 9 -20.027 6.627 -11.170 1.00 0.00 C ATOM 129 CG ASN A 9 -19.397 5.295 -10.752 1.00 0.00 C ATOM 130 OD1 ASN A 9 -20.088 4.384 -10.340 1.00 0.00 O ATOM 131 ND2 ASN A 9 -18.103 5.142 -10.843 1.00 0.00 N ATOM 0 H ASN A 9 -19.884 9.033 -9.258 1.00 0.00 H new ATOM 0 HA ASN A 9 -21.593 7.910 -10.358 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.701 6.468 -12.012 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.250 7.312 -11.509 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.673 4.259 -10.568 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.522 5.906 -11.189 1.00 0.00 H new ATOM 138 N CYS A 10 -22.603 5.702 -9.623 1.00 0.00 N ATOM 139 CA CYS A 10 -23.346 4.657 -8.869 1.00 0.00 C ATOM 140 C CYS A 10 -22.808 3.272 -9.238 1.00 0.00 C ATOM 141 O CYS A 10 -22.582 2.974 -10.399 1.00 0.00 O ATOM 142 CB CYS A 10 -24.790 4.794 -9.336 1.00 0.00 C ATOM 143 SG CYS A 10 -25.768 3.464 -8.623 1.00 0.00 S ATOM 0 H CYS A 10 -23.034 5.988 -10.502 1.00 0.00 H new ATOM 0 HA CYS A 10 -23.247 4.772 -7.790 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -25.193 5.761 -9.034 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -24.839 4.755 -10.424 1.00 0.00 H new ATOM 148 N ALA A 11 -22.594 2.413 -8.277 1.00 0.00 N ATOM 149 CA ALA A 11 -22.062 1.068 -8.624 1.00 0.00 C ATOM 150 C ALA A 11 -23.192 0.106 -8.985 1.00 0.00 C ATOM 151 O ALA A 11 -23.004 -0.858 -9.700 1.00 0.00 O ATOM 152 CB ALA A 11 -21.315 0.570 -7.391 1.00 0.00 C ATOM 0 H ALA A 11 -22.762 2.581 -7.285 1.00 0.00 H new ATOM 0 HA ALA A 11 -21.406 1.124 -9.493 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -20.902 -0.419 -7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.506 1.260 -7.152 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -22.003 0.512 -6.548 1.00 0.00 H new ATOM 158 N ARG A 12 -24.362 0.361 -8.519 1.00 0.00 N ATOM 159 CA ARG A 12 -25.494 -0.530 -8.857 1.00 0.00 C ATOM 160 C ARG A 12 -25.671 -0.578 -10.363 1.00 0.00 C ATOM 161 O ARG A 12 -25.818 -1.627 -10.956 1.00 0.00 O ATOM 162 CB ARG A 12 -26.683 0.148 -8.203 1.00 0.00 C ATOM 163 CG ARG A 12 -27.912 -0.733 -8.340 1.00 0.00 C ATOM 164 CD ARG A 12 -28.162 -1.473 -7.024 1.00 0.00 C ATOM 165 NE ARG A 12 -27.023 -2.423 -6.894 1.00 0.00 N ATOM 166 CZ ARG A 12 -26.367 -2.507 -5.768 1.00 0.00 C ATOM 167 NH1 ARG A 12 -25.341 -1.730 -5.551 1.00 0.00 N ATOM 168 NH2 ARG A 12 -26.739 -3.367 -4.860 1.00 0.00 N ATOM 0 H ARG A 12 -24.592 1.150 -7.915 1.00 0.00 H new ATOM 0 HA ARG A 12 -25.357 -1.558 -8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -26.473 0.335 -7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -26.864 1.116 -8.669 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -28.780 -0.126 -8.598 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -27.771 -1.448 -9.150 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -28.197 -0.781 -6.183 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -29.116 -2.000 -7.043 1.00 0.00 H new ATOM 0 HE ARG A 12 -26.755 -3.009 -7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -25.052 -1.057 -6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -24.829 -1.796 -4.671 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -27.542 -3.973 -5.030 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -26.227 -3.433 -3.980 1.00 0.00 H new ATOM 182 N CYS A 13 -25.682 0.558 -10.978 1.00 0.00 N ATOM 183 CA CYS A 13 -25.878 0.589 -12.452 1.00 0.00 C ATOM 184 C CYS A 13 -24.562 0.350 -13.231 1.00 0.00 C ATOM 185 O CYS A 13 -24.602 -0.072 -14.373 1.00 0.00 O ATOM 186 CB CYS A 13 -26.480 1.968 -12.741 1.00 0.00 C ATOM 187 SG CYS A 13 -25.392 3.237 -12.148 1.00 0.00 S ATOM 0 H CYS A 13 -25.565 1.468 -10.532 1.00 0.00 H new ATOM 0 HA CYS A 13 -26.533 -0.217 -12.784 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -26.642 2.087 -13.812 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -27.454 2.058 -12.260 1.00 0.00 H new ATOM 192 N ARG A 14 -23.390 0.570 -12.665 1.00 0.00 N ATOM 193 CA ARG A 14 -22.168 0.281 -13.497 1.00 0.00 C ATOM 194 C ARG A 14 -22.096 -1.210 -13.782 1.00 0.00 C ATOM 195 O ARG A 14 -21.518 -1.650 -14.757 1.00 0.00 O ATOM 196 CB ARG A 14 -20.934 0.701 -12.689 1.00 0.00 C ATOM 197 CG ARG A 14 -20.982 0.097 -11.285 1.00 0.00 C ATOM 198 CD ARG A 14 -20.784 -1.420 -11.302 1.00 0.00 C ATOM 199 NE ARG A 14 -19.630 -1.666 -10.395 1.00 0.00 N ATOM 200 CZ ARG A 14 -18.416 -1.430 -10.811 1.00 0.00 C ATOM 201 NH1 ARG A 14 -18.013 -1.909 -11.956 1.00 0.00 N ATOM 202 NH2 ARG A 14 -17.606 -0.711 -10.083 1.00 0.00 N ATOM 0 H ARG A 14 -23.229 0.917 -11.719 1.00 0.00 H new ATOM 0 HA ARG A 14 -22.211 0.826 -14.440 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -20.029 0.375 -13.201 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -20.888 1.788 -12.622 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -20.210 0.556 -10.667 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -21.941 0.331 -10.823 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -21.677 -1.939 -10.954 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -20.578 -1.780 -12.310 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.788 -2.018 -9.451 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.647 -2.468 -12.526 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.064 -1.724 -12.281 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.922 -0.334 -9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -16.657 -0.526 -10.407 1.00 0.00 H new ATOM 216 N ASN A 15 -22.656 -1.989 -12.909 1.00 0.00 N ATOM 217 CA ASN A 15 -22.612 -3.459 -13.070 1.00 0.00 C ATOM 218 C ASN A 15 -22.960 -3.827 -14.497 1.00 0.00 C ATOM 219 O ASN A 15 -22.465 -4.784 -15.060 1.00 0.00 O ATOM 220 CB ASN A 15 -23.683 -3.948 -12.110 1.00 0.00 C ATOM 221 CG ASN A 15 -23.169 -3.783 -10.692 1.00 0.00 C ATOM 222 OD1 ASN A 15 -23.889 -3.117 -9.843 1.00 0.00 O flip ATOM 223 ND2 ASN A 15 -22.105 -4.264 -10.352 1.00 0.00 N flip ATOM 0 H ASN A 15 -23.150 -1.663 -12.078 1.00 0.00 H new ATOM 0 HA ASN A 15 -21.634 -3.894 -12.865 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -24.603 -3.380 -12.248 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -23.921 -4.993 -12.308 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -21.544 -4.787 -11.024 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -21.774 -4.145 -9.395 1.00 0.00 H new ATOM 230 N HIS A 16 -23.832 -3.069 -15.064 1.00 0.00 N ATOM 231 CA HIS A 16 -24.279 -3.331 -16.450 1.00 0.00 C ATOM 232 C HIS A 16 -23.578 -2.399 -17.441 1.00 0.00 C ATOM 233 O HIS A 16 -23.640 -2.593 -18.639 1.00 0.00 O ATOM 234 CB HIS A 16 -25.771 -3.066 -16.369 1.00 0.00 C ATOM 235 CG HIS A 16 -26.348 -4.016 -15.380 1.00 0.00 C ATOM 236 ND1 HIS A 16 -27.006 -5.178 -15.761 1.00 0.00 N ATOM 237 CD2 HIS A 16 -26.347 -4.008 -14.018 1.00 0.00 C ATOM 238 CE1 HIS A 16 -27.368 -5.817 -14.638 1.00 0.00 C ATOM 239 NE2 HIS A 16 -26.991 -5.142 -13.556 1.00 0.00 N ATOM 0 H HIS A 16 -24.267 -2.260 -14.620 1.00 0.00 H new ATOM 0 HA HIS A 16 -24.046 -4.334 -16.808 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -25.960 -2.036 -16.065 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -26.237 -3.201 -17.345 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -27.181 -5.488 -16.717 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -25.912 -3.239 -13.397 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -27.897 -6.758 -14.616 1.00 0.00 H new ATOM 247 N GLY A 17 -22.905 -1.394 -16.956 1.00 0.00 N ATOM 248 CA GLY A 17 -22.195 -0.463 -17.880 1.00 0.00 C ATOM 249 C GLY A 17 -22.839 0.916 -17.797 1.00 0.00 C ATOM 250 O GLY A 17 -22.892 1.652 -18.762 1.00 0.00 O ATOM 0 H GLY A 17 -22.815 -1.176 -15.964 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -21.140 -0.401 -17.613 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.244 -0.839 -18.902 1.00 0.00 H new ATOM 254 N LEU A 18 -23.339 1.264 -16.649 1.00 0.00 N ATOM 255 CA LEU A 18 -23.996 2.588 -16.491 1.00 0.00 C ATOM 256 C LEU A 18 -23.070 3.554 -15.737 1.00 0.00 C ATOM 257 O LEU A 18 -22.224 3.147 -14.967 1.00 0.00 O ATOM 258 CB LEU A 18 -25.250 2.282 -15.671 1.00 0.00 C ATOM 259 CG LEU A 18 -26.437 3.070 -16.218 1.00 0.00 C ATOM 260 CD1 LEU A 18 -26.132 4.560 -16.144 1.00 0.00 C ATOM 261 CD2 LEU A 18 -26.686 2.669 -17.674 1.00 0.00 C ATOM 0 H LEU A 18 -23.321 0.686 -15.809 1.00 0.00 H new ATOM 0 HA LEU A 18 -24.228 3.065 -17.443 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -25.465 1.214 -15.705 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -25.083 2.540 -14.625 1.00 0.00 H new ATOM 0 HG LEU A 18 -27.325 2.852 -15.625 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -26.979 5.125 -16.534 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -25.954 4.844 -15.107 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -25.245 4.780 -16.738 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -27.534 3.231 -18.066 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -25.799 2.888 -18.268 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -26.903 1.602 -17.726 1.00 0.00 H new ATOM 273 N LYS A 19 -23.235 4.832 -15.952 1.00 0.00 N ATOM 274 CA LYS A 19 -22.388 5.841 -15.256 1.00 0.00 C ATOM 275 C LYS A 19 -23.207 7.118 -15.075 1.00 0.00 C ATOM 276 O LYS A 19 -23.253 7.972 -15.937 1.00 0.00 O ATOM 277 CB LYS A 19 -21.195 6.082 -16.180 1.00 0.00 C ATOM 278 CG LYS A 19 -19.936 6.304 -15.340 1.00 0.00 C ATOM 279 CD LYS A 19 -19.699 5.091 -14.437 1.00 0.00 C ATOM 280 CE LYS A 19 -18.329 4.484 -14.749 1.00 0.00 C ATOM 281 NZ LYS A 19 -18.605 3.054 -15.061 1.00 0.00 N ATOM 0 H LYS A 19 -23.930 5.223 -16.588 1.00 0.00 H new ATOM 0 HA LYS A 19 -22.054 5.514 -14.271 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.057 5.228 -16.843 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.381 6.950 -16.813 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.075 6.459 -15.991 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.045 7.204 -14.735 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.747 5.389 -13.390 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.482 4.349 -14.594 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.856 4.988 -15.592 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.652 4.580 -13.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.713 2.569 -15.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.049 2.599 -14.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.247 2.994 -15.877 1.00 0.00 H new ATOM 295 N ILE A 20 -23.886 7.225 -13.973 1.00 0.00 N ATOM 296 CA ILE A 20 -24.754 8.418 -13.729 1.00 0.00 C ATOM 297 C ILE A 20 -24.086 9.396 -12.744 1.00 0.00 C ATOM 298 O ILE A 20 -24.627 10.444 -12.452 1.00 0.00 O ATOM 299 CB ILE A 20 -26.086 7.842 -13.169 1.00 0.00 C ATOM 300 CG1 ILE A 20 -26.201 8.057 -11.666 1.00 0.00 C ATOM 301 CG2 ILE A 20 -26.229 6.352 -13.507 1.00 0.00 C ATOM 302 CD1 ILE A 20 -25.584 6.887 -10.945 1.00 0.00 C ATOM 0 H ILE A 20 -23.881 6.535 -13.221 1.00 0.00 H new ATOM 0 HA ILE A 20 -24.925 8.997 -14.637 1.00 0.00 H new ATOM 0 HB ILE A 20 -26.899 8.385 -13.650 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -25.698 8.981 -11.380 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -27.248 8.163 -11.382 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -27.169 5.976 -13.103 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -26.221 6.222 -14.589 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -25.399 5.798 -13.069 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -25.665 7.039 -9.869 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -26.107 5.972 -11.223 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -24.533 6.803 -11.221 1.00 0.00 H new ATOM 314 N THR A 21 -22.937 9.047 -12.215 1.00 0.00 N ATOM 315 CA THR A 21 -22.231 9.939 -11.222 1.00 0.00 C ATOM 316 C THR A 21 -22.847 9.766 -9.820 1.00 0.00 C ATOM 317 O THR A 21 -22.392 10.338 -8.850 1.00 0.00 O ATOM 318 CB THR A 21 -22.419 11.374 -11.718 1.00 0.00 C ATOM 319 OG1 THR A 21 -22.405 11.387 -13.139 1.00 0.00 O ATOM 320 CG2 THR A 21 -21.287 12.251 -11.183 1.00 0.00 C ATOM 0 H THR A 21 -22.449 8.176 -12.427 1.00 0.00 H new ATOM 0 HA THR A 21 -21.173 9.688 -11.145 1.00 0.00 H new ATOM 0 HB THR A 21 -23.373 11.762 -11.362 1.00 0.00 H new ATOM 0 HG1 THR A 21 -22.527 12.305 -13.459 1.00 0.00 H new ATOM 0 HG21 THR A 21 -21.421 13.273 -11.536 1.00 0.00 H new ATOM 0 HG22 THR A 21 -21.301 12.239 -10.093 1.00 0.00 H new ATOM 0 HG23 THR A 21 -20.331 11.867 -11.538 1.00 0.00 H new ATOM 328 N LEU A 22 -23.870 8.965 -9.726 1.00 0.00 N ATOM 329 CA LEU A 22 -24.548 8.701 -8.413 1.00 0.00 C ATOM 330 C LEU A 22 -24.983 10.006 -7.732 1.00 0.00 C ATOM 331 O LEU A 22 -25.354 10.017 -6.575 1.00 0.00 O ATOM 332 CB LEU A 22 -23.509 7.944 -7.583 1.00 0.00 C ATOM 333 CG LEU A 22 -23.873 7.989 -6.096 1.00 0.00 C ATOM 334 CD1 LEU A 22 -25.324 7.538 -5.898 1.00 0.00 C ATOM 335 CD2 LEU A 22 -22.944 7.051 -5.321 1.00 0.00 C ATOM 0 H LEU A 22 -24.278 8.468 -10.518 1.00 0.00 H new ATOM 0 HA LEU A 22 -25.466 8.125 -8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -23.452 6.908 -7.918 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -22.523 8.383 -7.735 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.761 9.010 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -25.574 7.573 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -25.990 8.201 -6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -25.441 6.518 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.199 7.080 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -23.060 6.034 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -21.911 7.371 -5.454 1.00 0.00 H new ATOM 347 N LYS A 23 -24.982 11.101 -8.441 1.00 0.00 N ATOM 348 CA LYS A 23 -25.434 12.375 -7.815 1.00 0.00 C ATOM 349 C LYS A 23 -26.964 12.381 -7.756 1.00 0.00 C ATOM 350 O LYS A 23 -27.625 12.361 -8.775 1.00 0.00 O ATOM 351 CB LYS A 23 -24.923 13.482 -8.738 1.00 0.00 C ATOM 352 CG LYS A 23 -23.915 14.351 -7.983 1.00 0.00 C ATOM 353 CD LYS A 23 -22.977 15.034 -8.981 1.00 0.00 C ATOM 354 CE LYS A 23 -22.362 16.277 -8.335 1.00 0.00 C ATOM 355 NZ LYS A 23 -21.715 15.780 -7.089 1.00 0.00 N ATOM 0 H LYS A 23 -24.691 11.169 -9.416 1.00 0.00 H new ATOM 0 HA LYS A 23 -25.061 12.506 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -24.455 13.047 -9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -25.756 14.092 -9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.438 15.100 -7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -23.340 13.739 -7.288 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.191 14.344 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.526 15.313 -9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -21.635 16.748 -8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -23.123 17.025 -8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.934 16.415 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.415 15.755 -6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.343 14.822 -7.249 1.00 0.00 H new ATOM 369 N GLY A 24 -27.540 12.375 -6.579 1.00 0.00 N ATOM 370 CA GLY A 24 -29.029 12.342 -6.498 1.00 0.00 C ATOM 371 C GLY A 24 -29.507 11.242 -7.444 1.00 0.00 C ATOM 372 O GLY A 24 -30.164 11.496 -8.434 1.00 0.00 O ATOM 0 H GLY A 24 -27.050 12.391 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -29.355 12.141 -5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -29.452 13.305 -6.783 1.00 0.00 H new ATOM 376 N HIS A 25 -29.123 10.026 -7.171 1.00 0.00 N ATOM 377 CA HIS A 25 -29.488 8.901 -8.074 1.00 0.00 C ATOM 378 C HIS A 25 -30.155 7.756 -7.301 1.00 0.00 C ATOM 379 O HIS A 25 -31.323 7.822 -6.982 1.00 0.00 O ATOM 380 CB HIS A 25 -28.133 8.479 -8.631 1.00 0.00 C ATOM 381 CG HIS A 25 -28.250 7.266 -9.506 1.00 0.00 C ATOM 382 ND1 HIS A 25 -28.925 7.285 -10.717 1.00 0.00 N ATOM 383 CD2 HIS A 25 -27.664 6.030 -9.426 1.00 0.00 C ATOM 384 CE1 HIS A 25 -28.703 6.101 -11.315 1.00 0.00 C ATOM 385 NE2 HIS A 25 -27.952 5.307 -10.560 1.00 0.00 N ATOM 0 H HIS A 25 -28.569 9.763 -6.356 1.00 0.00 H new ATOM 0 HA HIS A 25 -30.210 9.177 -8.843 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -27.702 9.301 -9.203 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -27.449 8.270 -7.808 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -29.485 8.054 -11.086 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -27.067 5.677 -8.598 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -29.087 5.830 -12.287 1.00 0.00 H new ATOM 393 N LYS A 26 -29.428 6.706 -7.010 1.00 0.00 N ATOM 394 CA LYS A 26 -30.026 5.555 -6.273 1.00 0.00 C ATOM 395 C LYS A 26 -31.436 5.268 -6.801 1.00 0.00 C ATOM 396 O LYS A 26 -31.612 4.529 -7.747 1.00 0.00 O ATOM 397 CB LYS A 26 -30.066 5.992 -4.809 1.00 0.00 C ATOM 398 CG LYS A 26 -28.849 5.424 -4.077 1.00 0.00 C ATOM 399 CD LYS A 26 -28.965 5.722 -2.582 1.00 0.00 C ATOM 400 CE LYS A 26 -28.670 4.450 -1.782 1.00 0.00 C ATOM 401 NZ LYS A 26 -28.881 4.833 -0.359 1.00 0.00 N ATOM 0 H LYS A 26 -28.443 6.598 -7.253 1.00 0.00 H new ATOM 0 HA LYS A 26 -29.451 4.638 -6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -30.069 7.080 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.984 5.641 -4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -28.783 4.348 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -27.934 5.863 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -28.266 6.510 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -29.966 6.086 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -29.334 3.637 -2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -27.650 4.105 -1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -28.698 4.012 0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -28.231 5.604 -0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -29.862 5.151 -0.227 1.00 0.00 H new ATOM 415 N ARG A 27 -32.443 5.852 -6.208 1.00 0.00 N ATOM 416 CA ARG A 27 -33.830 5.613 -6.700 1.00 0.00 C ATOM 417 C ARG A 27 -33.872 5.788 -8.222 1.00 0.00 C ATOM 418 O ARG A 27 -34.714 5.235 -8.900 1.00 0.00 O ATOM 419 CB ARG A 27 -34.685 6.676 -6.011 1.00 0.00 C ATOM 420 CG ARG A 27 -36.032 6.802 -6.731 1.00 0.00 C ATOM 421 CD ARG A 27 -36.782 8.027 -6.204 1.00 0.00 C ATOM 422 NE ARG A 27 -37.798 8.334 -7.251 1.00 0.00 N ATOM 423 CZ ARG A 27 -39.009 7.861 -7.143 1.00 0.00 C ATOM 424 NH1 ARG A 27 -39.855 8.412 -6.316 1.00 0.00 N ATOM 425 NH2 ARG A 27 -39.374 6.835 -7.862 1.00 0.00 N ATOM 0 H ARG A 27 -32.366 6.481 -5.409 1.00 0.00 H new ATOM 0 HA ARG A 27 -34.186 4.607 -6.480 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -34.844 6.408 -4.966 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -34.166 7.635 -6.019 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -35.874 6.894 -7.806 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -36.627 5.902 -6.572 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -37.254 7.818 -5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -36.106 8.868 -6.050 1.00 0.00 H new ATOM 0 HE ARG A 27 -37.546 8.914 -8.052 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -39.570 9.213 -5.753 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -40.802 8.041 -6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -38.713 6.404 -8.508 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -40.321 6.464 -7.778 1.00 0.00 H new ATOM 439 N TYR A 28 -32.962 6.555 -8.759 1.00 0.00 N ATOM 440 CA TYR A 28 -32.935 6.773 -10.234 1.00 0.00 C ATOM 441 C TYR A 28 -32.125 5.669 -10.914 1.00 0.00 C ATOM 442 O TYR A 28 -32.056 5.586 -12.124 1.00 0.00 O ATOM 443 CB TYR A 28 -32.238 8.120 -10.416 1.00 0.00 C ATOM 444 CG TYR A 28 -33.123 9.220 -9.882 1.00 0.00 C ATOM 445 CD1 TYR A 28 -34.248 9.627 -10.609 1.00 0.00 C ATOM 446 CD2 TYR A 28 -32.822 9.830 -8.658 1.00 0.00 C ATOM 447 CE1 TYR A 28 -35.070 10.646 -10.113 1.00 0.00 C ATOM 448 CE2 TYR A 28 -33.644 10.848 -8.163 1.00 0.00 C ATOM 449 CZ TYR A 28 -34.768 11.257 -8.890 1.00 0.00 C ATOM 450 OH TYR A 28 -35.579 12.259 -8.401 1.00 0.00 O ATOM 0 H TYR A 28 -32.233 7.042 -8.237 1.00 0.00 H new ATOM 0 HA TYR A 28 -33.933 6.759 -10.672 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -31.282 8.121 -9.892 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -32.023 8.291 -11.471 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -34.482 9.155 -11.552 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -31.955 9.515 -8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -35.937 10.961 -10.674 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -33.411 11.319 -7.219 1.00 0.00 H new ATOM 0 HH TYR A 28 -35.228 12.574 -7.542 1.00 0.00 H new ATOM 460 N CYS A 29 -31.500 4.830 -10.139 1.00 0.00 N ATOM 461 CA CYS A 29 -30.678 3.738 -10.726 1.00 0.00 C ATOM 462 C CYS A 29 -31.552 2.683 -11.393 1.00 0.00 C ATOM 463 O CYS A 29 -32.261 1.961 -10.731 1.00 0.00 O ATOM 464 CB CYS A 29 -29.962 3.097 -9.541 1.00 0.00 C ATOM 465 SG CYS A 29 -28.657 2.010 -10.158 1.00 0.00 S ATOM 0 H CYS A 29 -31.523 4.854 -9.120 1.00 0.00 H new ATOM 0 HA CYS A 29 -29.999 4.129 -11.484 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -29.537 3.867 -8.897 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -30.669 2.530 -8.936 1.00 0.00 H new ATOM 470 N LYS A 30 -31.479 2.536 -12.683 1.00 0.00 N ATOM 471 CA LYS A 30 -32.290 1.460 -13.316 1.00 0.00 C ATOM 472 C LYS A 30 -31.969 0.149 -12.592 1.00 0.00 C ATOM 473 O LYS A 30 -32.736 -0.796 -12.598 1.00 0.00 O ATOM 474 CB LYS A 30 -31.835 1.405 -14.775 1.00 0.00 C ATOM 475 CG LYS A 30 -32.938 0.775 -15.630 1.00 0.00 C ATOM 476 CD LYS A 30 -32.304 -0.065 -16.742 1.00 0.00 C ATOM 477 CE LYS A 30 -32.931 0.311 -18.086 1.00 0.00 C ATOM 478 NZ LYS A 30 -32.728 -0.883 -18.953 1.00 0.00 N ATOM 0 H LYS A 30 -30.909 3.098 -13.315 1.00 0.00 H new ATOM 0 HA LYS A 30 -33.365 1.633 -13.259 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.610 2.409 -15.135 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.917 0.823 -14.859 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -33.582 0.151 -15.010 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -33.568 1.553 -16.061 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -31.228 0.104 -16.771 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -32.455 -1.126 -16.542 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -33.990 0.544 -17.976 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -32.453 1.194 -18.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -33.132 -0.702 -19.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -31.710 -1.076 -19.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -33.200 -1.706 -18.526 1.00 0.00 H new ATOM 492 N PHE A 31 -30.826 0.110 -11.959 1.00 0.00 N ATOM 493 CA PHE A 31 -30.385 -1.096 -11.200 1.00 0.00 C ATOM 494 C PHE A 31 -30.634 -0.869 -9.702 1.00 0.00 C ATOM 495 O PHE A 31 -30.205 -1.638 -8.866 1.00 0.00 O ATOM 496 CB PHE A 31 -28.881 -1.166 -11.521 1.00 0.00 C ATOM 497 CG PHE A 31 -28.729 -1.133 -13.019 1.00 0.00 C ATOM 498 CD1 PHE A 31 -28.664 0.096 -13.686 1.00 0.00 C ATOM 499 CD2 PHE A 31 -28.675 -2.327 -13.743 1.00 0.00 C ATOM 500 CE1 PHE A 31 -28.538 0.131 -15.076 1.00 0.00 C ATOM 501 CE2 PHE A 31 -28.552 -2.294 -15.136 1.00 0.00 C ATOM 502 CZ PHE A 31 -28.483 -1.064 -15.804 1.00 0.00 C ATOM 0 H PHE A 31 -30.163 0.885 -11.937 1.00 0.00 H new ATOM 0 HA PHE A 31 -30.909 -2.016 -11.461 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -28.353 -0.328 -11.065 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -28.445 -2.078 -11.113 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -28.711 1.018 -13.125 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -28.728 -3.275 -13.227 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -28.483 1.079 -15.590 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -28.510 -3.216 -15.697 1.00 0.00 H new ATOM 0 HZ PHE A 31 -28.387 -1.038 -16.879 1.00 0.00 H new ATOM 512 N ARG A 32 -31.324 0.193 -9.363 1.00 0.00 N ATOM 513 CA ARG A 32 -31.597 0.502 -7.929 1.00 0.00 C ATOM 514 C ARG A 32 -32.049 -0.750 -7.190 1.00 0.00 C ATOM 515 O ARG A 32 -31.844 -0.895 -6.000 1.00 0.00 O ATOM 516 CB ARG A 32 -32.709 1.563 -7.939 1.00 0.00 C ATOM 517 CG ARG A 32 -34.076 0.922 -8.230 1.00 0.00 C ATOM 518 CD ARG A 32 -34.255 0.736 -9.739 1.00 0.00 C ATOM 519 NE ARG A 32 -35.576 0.067 -9.893 1.00 0.00 N ATOM 520 CZ ARG A 32 -36.534 0.660 -10.553 1.00 0.00 C ATOM 521 NH1 ARG A 32 -36.801 1.918 -10.323 1.00 0.00 N ATOM 522 NH2 ARG A 32 -37.222 0.000 -11.442 1.00 0.00 N ATOM 0 H ARG A 32 -31.712 0.863 -10.027 1.00 0.00 H new ATOM 0 HA ARG A 32 -30.706 0.863 -7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -32.739 2.073 -6.976 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -32.489 2.319 -8.693 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -34.150 -0.041 -7.725 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -34.874 1.551 -7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -34.235 1.694 -10.259 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -33.454 0.128 -10.159 1.00 0.00 H new ATOM 0 HE ARG A 32 -35.733 -0.854 -9.483 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -36.261 2.435 -9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -37.549 2.383 -10.838 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -37.012 -0.982 -11.623 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -37.970 0.465 -11.956 1.00 0.00 H new ATOM 536 N TYR A 33 -32.668 -1.650 -7.887 1.00 0.00 N ATOM 537 CA TYR A 33 -33.146 -2.899 -7.228 1.00 0.00 C ATOM 538 C TYR A 33 -32.692 -4.127 -8.016 1.00 0.00 C ATOM 539 O TYR A 33 -33.075 -5.241 -7.717 1.00 0.00 O ATOM 540 CB TYR A 33 -34.672 -2.794 -7.220 1.00 0.00 C ATOM 541 CG TYR A 33 -35.097 -1.624 -6.359 1.00 0.00 C ATOM 542 CD1 TYR A 33 -34.352 -1.273 -5.226 1.00 0.00 C ATOM 543 CD2 TYR A 33 -36.238 -0.887 -6.700 1.00 0.00 C ATOM 544 CE1 TYR A 33 -34.746 -0.186 -4.436 1.00 0.00 C ATOM 545 CE2 TYR A 33 -36.633 0.199 -5.908 1.00 0.00 C ATOM 546 CZ TYR A 33 -35.887 0.549 -4.777 1.00 0.00 C ATOM 547 OH TYR A 33 -36.275 1.620 -3.998 1.00 0.00 O ATOM 0 H TYR A 33 -32.867 -1.581 -8.885 1.00 0.00 H new ATOM 0 HA TYR A 33 -32.744 -3.008 -6.221 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -35.043 -2.664 -8.237 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -35.108 -3.717 -6.838 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -33.473 -1.841 -4.961 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -36.813 -1.156 -7.574 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -34.170 0.085 -3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -37.514 0.766 -6.170 1.00 0.00 H new ATOM 0 HH TYR A 33 -37.086 2.021 -4.374 1.00 0.00 H new ATOM 557 N CYS A 34 -31.871 -3.943 -9.011 1.00 0.00 N ATOM 558 CA CYS A 34 -31.397 -5.117 -9.792 1.00 0.00 C ATOM 559 C CYS A 34 -30.966 -6.223 -8.826 1.00 0.00 C ATOM 560 O CYS A 34 -30.861 -6.011 -7.634 1.00 0.00 O ATOM 561 CB CYS A 34 -30.191 -4.618 -10.586 1.00 0.00 C ATOM 562 SG CYS A 34 -29.616 -5.929 -11.682 1.00 0.00 S ATOM 0 H CYS A 34 -31.510 -3.039 -9.315 1.00 0.00 H new ATOM 0 HA CYS A 34 -32.170 -5.521 -10.446 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -30.463 -3.736 -11.166 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -29.392 -4.319 -9.907 1.00 0.00 H new ATOM 567 N THR A 35 -30.717 -7.397 -9.325 1.00 0.00 N ATOM 568 CA THR A 35 -30.293 -8.507 -8.427 1.00 0.00 C ATOM 569 C THR A 35 -29.208 -9.362 -9.090 1.00 0.00 C ATOM 570 O THR A 35 -28.755 -10.337 -8.525 1.00 0.00 O ATOM 571 CB THR A 35 -31.559 -9.330 -8.199 1.00 0.00 C ATOM 572 OG1 THR A 35 -32.064 -9.774 -9.451 1.00 0.00 O ATOM 573 CG2 THR A 35 -32.608 -8.466 -7.499 1.00 0.00 C ATOM 0 H THR A 35 -30.788 -7.638 -10.313 1.00 0.00 H new ATOM 0 HA THR A 35 -29.866 -8.137 -7.495 1.00 0.00 H new ATOM 0 HB THR A 35 -31.327 -10.193 -7.575 1.00 0.00 H new ATOM 0 HG1 THR A 35 -32.876 -10.304 -9.307 1.00 0.00 H new ATOM 0 HG21 THR A 35 -33.512 -9.052 -7.336 1.00 0.00 H new ATOM 0 HG22 THR A 35 -32.218 -8.126 -6.540 1.00 0.00 H new ATOM 0 HG23 THR A 35 -32.843 -7.603 -8.122 1.00 0.00 H new ATOM 581 N CYS A 36 -28.782 -9.011 -10.278 1.00 0.00 N ATOM 582 CA CYS A 36 -27.720 -9.821 -10.943 1.00 0.00 C ATOM 583 C CYS A 36 -26.598 -10.108 -9.932 1.00 0.00 C ATOM 584 O CYS A 36 -26.594 -9.579 -8.838 1.00 0.00 O ATOM 585 CB CYS A 36 -27.223 -8.967 -12.110 1.00 0.00 C ATOM 586 SG CYS A 36 -26.230 -7.602 -11.481 1.00 0.00 S ATOM 0 H CYS A 36 -29.120 -8.208 -10.809 1.00 0.00 H new ATOM 0 HA CYS A 36 -28.082 -10.785 -11.301 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -26.631 -9.576 -12.793 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -28.070 -8.582 -12.678 1.00 0.00 H new ATOM 591 N GLU A 37 -25.661 -10.949 -10.267 1.00 0.00 N ATOM 592 CA GLU A 37 -24.571 -11.272 -9.292 1.00 0.00 C ATOM 593 C GLU A 37 -23.514 -10.160 -9.233 1.00 0.00 C ATOM 594 O GLU A 37 -22.559 -10.243 -8.482 1.00 0.00 O ATOM 595 CB GLU A 37 -23.956 -12.567 -9.822 1.00 0.00 C ATOM 596 CG GLU A 37 -23.116 -13.223 -8.726 1.00 0.00 C ATOM 597 CD GLU A 37 -21.654 -13.277 -9.169 1.00 0.00 C ATOM 598 OE1 GLU A 37 -21.420 -13.431 -10.357 1.00 0.00 O ATOM 599 OE2 GLU A 37 -20.791 -13.162 -8.314 1.00 0.00 O ATOM 0 H GLU A 37 -25.598 -11.426 -11.166 1.00 0.00 H new ATOM 0 HA GLU A 37 -24.955 -11.370 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -24.742 -13.248 -10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -23.335 -12.357 -10.693 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -23.205 -12.659 -7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -23.484 -14.229 -8.524 1.00 0.00 H new ATOM 606 N LYS A 38 -23.681 -9.116 -9.995 1.00 0.00 N ATOM 607 CA LYS A 38 -22.689 -7.999 -9.966 1.00 0.00 C ATOM 608 C LYS A 38 -23.253 -6.861 -9.128 1.00 0.00 C ATOM 609 O LYS A 38 -22.537 -6.017 -8.627 1.00 0.00 O ATOM 610 CB LYS A 38 -22.529 -7.568 -11.424 1.00 0.00 C ATOM 611 CG LYS A 38 -21.249 -8.174 -12.000 1.00 0.00 C ATOM 612 CD LYS A 38 -21.589 -9.456 -12.763 1.00 0.00 C ATOM 613 CE LYS A 38 -20.627 -10.571 -12.345 1.00 0.00 C ATOM 614 NZ LYS A 38 -20.023 -11.054 -13.616 1.00 0.00 N ATOM 0 H LYS A 38 -24.462 -8.985 -10.638 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.732 -8.289 -9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.391 -7.893 -12.006 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.491 -6.481 -11.490 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.764 -7.460 -12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.544 -8.392 -11.198 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -22.617 -9.752 -12.557 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -21.517 -9.283 -13.837 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.864 -10.198 -11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.153 -11.373 -11.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.351 -11.821 -13.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.772 -11.409 -14.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.523 -10.270 -14.082 1.00 0.00 H new ATOM 628 N CYS A 39 -24.538 -6.865 -8.951 1.00 0.00 N ATOM 629 CA CYS A 39 -25.189 -5.827 -8.127 1.00 0.00 C ATOM 630 C CYS A 39 -25.166 -6.318 -6.684 1.00 0.00 C ATOM 631 O CYS A 39 -24.984 -5.563 -5.751 1.00 0.00 O ATOM 632 CB CYS A 39 -26.616 -5.760 -8.656 1.00 0.00 C ATOM 633 SG CYS A 39 -26.771 -4.389 -9.824 1.00 0.00 S ATOM 0 H CYS A 39 -25.173 -7.556 -9.350 1.00 0.00 H new ATOM 0 HA CYS A 39 -24.710 -4.849 -8.168 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -26.877 -6.698 -9.146 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -27.314 -5.627 -7.830 1.00 0.00 H new ATOM 638 N ARG A 40 -25.317 -7.608 -6.513 1.00 0.00 N ATOM 639 CA ARG A 40 -25.271 -8.195 -5.152 1.00 0.00 C ATOM 640 C ARG A 40 -23.823 -8.187 -4.681 1.00 0.00 C ATOM 641 O ARG A 40 -23.517 -7.867 -3.550 1.00 0.00 O ATOM 642 CB ARG A 40 -25.769 -9.632 -5.316 1.00 0.00 C ATOM 643 CG ARG A 40 -27.213 -9.624 -5.820 1.00 0.00 C ATOM 644 CD ARG A 40 -27.811 -11.028 -5.687 1.00 0.00 C ATOM 645 NE ARG A 40 -26.857 -11.932 -6.388 1.00 0.00 N ATOM 646 CZ ARG A 40 -27.305 -12.904 -7.134 1.00 0.00 C ATOM 647 NH1 ARG A 40 -28.267 -12.681 -7.989 1.00 0.00 N ATOM 648 NH2 ARG A 40 -26.791 -14.099 -7.026 1.00 0.00 N ATOM 0 H ARG A 40 -25.471 -8.278 -7.267 1.00 0.00 H new ATOM 0 HA ARG A 40 -25.874 -7.649 -4.426 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -25.132 -10.170 -6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -25.709 -10.159 -4.363 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -27.805 -8.910 -5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -27.244 -9.302 -6.861 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -27.922 -11.310 -4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -28.802 -11.077 -6.138 1.00 0.00 H new ATOM 0 HE ARG A 40 -25.852 -11.791 -6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -28.668 -11.747 -8.073 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -28.617 -13.441 -8.572 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -26.039 -14.272 -6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -27.141 -14.859 -7.609 1.00 0.00 H new ATOM 662 N LEU A 41 -22.928 -8.523 -5.567 1.00 0.00 N ATOM 663 CA LEU A 41 -21.485 -8.519 -5.211 1.00 0.00 C ATOM 664 C LEU A 41 -21.082 -7.095 -4.828 1.00 0.00 C ATOM 665 O LEU A 41 -20.221 -6.878 -3.997 1.00 0.00 O ATOM 666 CB LEU A 41 -20.771 -9.011 -6.482 1.00 0.00 C ATOM 667 CG LEU A 41 -19.508 -8.190 -6.765 1.00 0.00 C ATOM 668 CD1 LEU A 41 -18.590 -8.218 -5.541 1.00 0.00 C ATOM 669 CD2 LEU A 41 -18.771 -8.791 -7.963 1.00 0.00 C ATOM 0 H LEU A 41 -23.136 -8.801 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 41 -21.232 -9.154 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.506 -10.062 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -21.450 -8.943 -7.332 1.00 0.00 H new ATOM 0 HG LEU A 41 -19.788 -7.160 -6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -17.693 -7.633 -5.745 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.113 -7.793 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.309 -9.248 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.872 -8.209 -8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.493 -9.821 -7.740 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.421 -8.772 -8.837 1.00 0.00 H new ATOM 681 N THR A 42 -21.721 -6.126 -5.416 1.00 0.00 N ATOM 682 CA THR A 42 -21.405 -4.712 -5.077 1.00 0.00 C ATOM 683 C THR A 42 -21.884 -4.418 -3.661 1.00 0.00 C ATOM 684 O THR A 42 -21.101 -4.206 -2.756 1.00 0.00 O ATOM 685 CB THR A 42 -22.185 -3.878 -6.090 1.00 0.00 C ATOM 686 OG1 THR A 42 -21.596 -4.028 -7.375 1.00 0.00 O ATOM 687 CG2 THR A 42 -22.148 -2.407 -5.677 1.00 0.00 C ATOM 0 H THR A 42 -22.450 -6.251 -6.118 1.00 0.00 H new ATOM 0 HA THR A 42 -20.338 -4.495 -5.116 1.00 0.00 H new ATOM 0 HB THR A 42 -23.221 -4.217 -6.123 1.00 0.00 H new ATOM 0 HG1 THR A 42 -21.672 -4.962 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.705 -1.812 -6.401 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.599 -2.294 -4.691 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.114 -2.064 -5.645 1.00 0.00 H new ATOM 695 N ALA A 43 -23.168 -4.429 -3.463 1.00 0.00 N ATOM 696 CA ALA A 43 -23.710 -4.176 -2.101 1.00 0.00 C ATOM 697 C ALA A 43 -22.921 -5.013 -1.098 1.00 0.00 C ATOM 698 O ALA A 43 -22.772 -4.657 0.053 1.00 0.00 O ATOM 699 CB ALA A 43 -25.167 -4.638 -2.163 1.00 0.00 C ATOM 0 H ALA A 43 -23.868 -4.602 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 43 -23.637 -3.132 -1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -25.639 -4.484 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -25.699 -4.063 -2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -25.202 -5.697 -2.420 1.00 0.00 H new ATOM 705 N ASP A 44 -22.401 -6.123 -1.545 1.00 0.00 N ATOM 706 CA ASP A 44 -21.602 -6.995 -0.647 1.00 0.00 C ATOM 707 C ASP A 44 -20.249 -6.335 -0.374 1.00 0.00 C ATOM 708 O ASP A 44 -19.727 -6.385 0.722 1.00 0.00 O ATOM 709 CB ASP A 44 -21.419 -8.294 -1.433 1.00 0.00 C ATOM 710 CG ASP A 44 -20.901 -9.392 -0.502 1.00 0.00 C ATOM 711 OD1 ASP A 44 -21.720 -10.052 0.117 1.00 0.00 O ATOM 712 OD2 ASP A 44 -19.695 -9.556 -0.427 1.00 0.00 O ATOM 0 H ASP A 44 -22.498 -6.463 -2.502 1.00 0.00 H new ATOM 0 HA ASP A 44 -22.080 -7.168 0.317 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -22.367 -8.598 -1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -20.718 -8.138 -2.253 1.00 0.00 H new ATOM 717 N ARG A 45 -19.685 -5.713 -1.372 1.00 0.00 N ATOM 718 CA ARG A 45 -18.369 -5.037 -1.193 1.00 0.00 C ATOM 719 C ARG A 45 -18.457 -3.994 -0.076 1.00 0.00 C ATOM 720 O ARG A 45 -17.552 -3.844 0.722 1.00 0.00 O ATOM 721 CB ARG A 45 -18.097 -4.358 -2.537 1.00 0.00 C ATOM 722 CG ARG A 45 -16.606 -4.042 -2.662 1.00 0.00 C ATOM 723 CD ARG A 45 -16.347 -3.321 -3.987 1.00 0.00 C ATOM 724 NE ARG A 45 -15.810 -4.371 -4.897 1.00 0.00 N ATOM 725 CZ ARG A 45 -14.711 -5.002 -4.589 1.00 0.00 C ATOM 726 NH1 ARG A 45 -13.703 -4.347 -4.078 1.00 0.00 N ATOM 727 NH2 ARG A 45 -14.618 -6.288 -4.790 1.00 0.00 N ATOM 0 H ARG A 45 -20.081 -5.643 -2.309 1.00 0.00 H new ATOM 0 HA ARG A 45 -17.578 -5.733 -0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -18.411 -5.008 -3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -18.681 -3.441 -2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -16.284 -3.419 -1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.023 -4.962 -2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.263 -2.885 -4.385 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.634 -2.506 -3.860 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.302 -4.597 -5.761 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.775 -3.342 -3.920 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.844 -4.841 -3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.405 -6.800 -5.188 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.758 -6.781 -4.549 1.00 0.00 H new ATOM 741 N GLN A 46 -19.540 -3.268 -0.017 1.00 0.00 N ATOM 742 CA GLN A 46 -19.689 -2.228 1.043 1.00 0.00 C ATOM 743 C GLN A 46 -19.988 -2.877 2.399 1.00 0.00 C ATOM 744 O GLN A 46 -19.339 -2.594 3.388 1.00 0.00 O ATOM 745 CB GLN A 46 -20.872 -1.372 0.587 1.00 0.00 C ATOM 746 CG GLN A 46 -20.566 -0.764 -0.785 1.00 0.00 C ATOM 747 CD GLN A 46 -21.240 0.604 -0.900 1.00 0.00 C ATOM 748 OE1 GLN A 46 -21.428 1.287 0.086 1.00 0.00 O ATOM 749 NE2 GLN A 46 -21.615 1.037 -2.073 1.00 0.00 N ATOM 0 H GLN A 46 -20.330 -3.350 -0.658 1.00 0.00 H new ATOM 0 HA GLN A 46 -18.780 -1.641 1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -21.775 -1.980 0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -21.063 -0.581 1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -19.489 -0.663 -0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -20.923 -1.425 -1.575 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -21.458 0.464 -2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -22.065 1.948 -2.160 1.00 0.00 H new ATOM 758 N ARG A 47 -20.966 -3.739 2.458 1.00 0.00 N ATOM 759 CA ARG A 47 -21.304 -4.395 3.755 1.00 0.00 C ATOM 760 C ARG A 47 -20.157 -5.306 4.208 1.00 0.00 C ATOM 761 O ARG A 47 -19.454 -5.883 3.403 1.00 0.00 O ATOM 762 CB ARG A 47 -22.562 -5.216 3.472 1.00 0.00 C ATOM 763 CG ARG A 47 -23.459 -5.223 4.713 1.00 0.00 C ATOM 764 CD ARG A 47 -24.660 -6.141 4.472 1.00 0.00 C ATOM 765 NE ARG A 47 -25.464 -6.058 5.724 1.00 0.00 N ATOM 766 CZ ARG A 47 -26.734 -5.760 5.666 1.00 0.00 C ATOM 767 NH1 ARG A 47 -27.166 -4.917 4.768 1.00 0.00 N ATOM 768 NH2 ARG A 47 -27.571 -6.303 6.506 1.00 0.00 N ATOM 0 H ARG A 47 -21.545 -4.018 1.666 1.00 0.00 H new ATOM 0 HA ARG A 47 -21.463 -3.669 4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -23.101 -4.794 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -22.290 -6.236 3.202 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -22.895 -5.566 5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -23.800 -4.211 4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -25.239 -5.815 3.608 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -24.341 -7.164 4.274 1.00 0.00 H new ATOM 0 HE ARG A 47 -25.022 -6.234 6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -26.512 -4.491 4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -28.158 -4.684 4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -27.234 -6.961 7.209 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -28.563 -6.070 6.460 1.00 0.00 H new ATOM 782 N VAL A 48 -19.968 -5.438 5.492 1.00 0.00 N ATOM 783 CA VAL A 48 -18.870 -6.312 6.000 1.00 0.00 C ATOM 784 C VAL A 48 -19.385 -7.200 7.136 1.00 0.00 C ATOM 785 O VAL A 48 -19.801 -6.721 8.172 1.00 0.00 O ATOM 786 CB VAL A 48 -17.803 -5.348 6.518 1.00 0.00 C ATOM 787 CG1 VAL A 48 -18.390 -4.492 7.641 1.00 0.00 C ATOM 788 CG2 VAL A 48 -16.614 -6.147 7.056 1.00 0.00 C ATOM 0 H VAL A 48 -20.526 -4.979 6.212 1.00 0.00 H new ATOM 0 HA VAL A 48 -18.480 -6.975 5.228 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.471 -4.702 5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -17.629 -3.805 8.010 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -19.238 -3.923 7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -18.722 -5.137 8.455 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -15.852 -5.461 7.426 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.947 -6.792 7.869 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -16.195 -6.758 6.257 1.00 0.00 H new ATOM 798 N MET A 49 -19.359 -8.491 6.950 1.00 0.00 N ATOM 799 CA MET A 49 -19.846 -9.408 8.018 1.00 0.00 C ATOM 800 C MET A 49 -18.687 -10.242 8.568 1.00 0.00 C ATOM 801 O MET A 49 -18.781 -10.835 9.625 1.00 0.00 O ATOM 802 CB MET A 49 -20.874 -10.306 7.329 1.00 0.00 C ATOM 803 CG MET A 49 -21.875 -10.822 8.362 1.00 0.00 C ATOM 804 SD MET A 49 -21.814 -12.630 8.411 1.00 0.00 S ATOM 805 CE MET A 49 -23.496 -12.928 7.816 1.00 0.00 C ATOM 0 H MET A 49 -19.021 -8.950 6.104 1.00 0.00 H new ATOM 0 HA MET A 49 -20.276 -8.869 8.862 1.00 0.00 H new ATOM 0 HB2 MET A 49 -21.394 -9.749 6.550 1.00 0.00 H new ATOM 0 HB3 MET A 49 -20.373 -11.143 6.843 1.00 0.00 H new ATOM 0 HG2 MET A 49 -21.643 -10.413 9.345 1.00 0.00 H new ATOM 0 HG3 MET A 49 -22.881 -10.488 8.108 1.00 0.00 H new ATOM 0 HE1 MET A 49 -23.680 -14.001 7.767 1.00 0.00 H new ATOM 0 HE2 MET A 49 -24.210 -12.469 8.499 1.00 0.00 H new ATOM 0 HE3 MET A 49 -23.613 -12.494 6.823 1.00 0.00 H new ATOM 815 N ALA A 50 -17.597 -10.289 7.858 1.00 0.00 N ATOM 816 CA ALA A 50 -16.428 -11.082 8.335 1.00 0.00 C ATOM 817 C ALA A 50 -15.126 -10.392 7.923 1.00 0.00 C ATOM 818 O ALA A 50 -14.998 -9.894 6.822 1.00 0.00 O ATOM 819 CB ALA A 50 -16.561 -12.438 7.639 1.00 0.00 C ATOM 0 H ALA A 50 -17.463 -9.812 6.966 1.00 0.00 H new ATOM 0 HA ALA A 50 -16.407 -11.182 9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.735 -13.083 7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.505 -12.902 7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.537 -12.296 6.559 1.00 0.00 H new ATOM 825 N LEU A 51 -14.160 -10.358 8.798 1.00 0.00 N ATOM 826 CA LEU A 51 -12.870 -9.696 8.452 1.00 0.00 C ATOM 827 C LEU A 51 -11.732 -10.719 8.449 1.00 0.00 C ATOM 828 O LEU A 51 -11.756 -11.692 9.176 1.00 0.00 O ATOM 829 CB LEU A 51 -12.654 -8.654 9.549 1.00 0.00 C ATOM 830 CG LEU A 51 -13.708 -7.556 9.418 1.00 0.00 C ATOM 831 CD1 LEU A 51 -14.372 -7.318 10.776 1.00 0.00 C ATOM 832 CD2 LEU A 51 -13.039 -6.264 8.944 1.00 0.00 C ATOM 0 H LEU A 51 -14.207 -10.758 9.735 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.891 -9.245 7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.721 -9.123 10.530 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.655 -8.226 9.468 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.464 -7.862 8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.124 -6.534 10.681 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.848 -8.238 11.115 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.618 -7.012 11.501 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.789 -5.479 8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.283 -5.959 9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.567 -6.433 7.976 1.00 0.00 H new ATOM 844 N GLN A 52 -10.736 -10.506 7.635 1.00 0.00 N ATOM 845 CA GLN A 52 -9.597 -11.466 7.584 1.00 0.00 C ATOM 846 C GLN A 52 -8.298 -10.766 7.993 1.00 0.00 C ATOM 847 O GLN A 52 -8.256 -9.550 7.921 1.00 0.00 O ATOM 848 CB GLN A 52 -9.530 -11.921 6.126 1.00 0.00 C ATOM 849 CG GLN A 52 -8.393 -12.931 5.958 1.00 0.00 C ATOM 850 CD GLN A 52 -8.887 -14.121 5.133 1.00 0.00 C ATOM 851 OE1 GLN A 52 -8.854 -14.090 3.919 1.00 0.00 O ATOM 852 NE2 GLN A 52 -9.350 -15.175 5.747 1.00 0.00 N ATOM 853 OXT GLN A 52 -7.370 -11.461 8.374 1.00 0.00 O ATOM 0 H GLN A 52 -10.661 -9.709 7.003 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.731 -12.306 8.266 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.478 -12.372 5.831 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.368 -11.063 5.473 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.543 -12.460 5.464 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.046 -13.270 6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.377 -15.200 6.766 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.684 -15.974 5.208 1.00 0.00 H new TER 862 GLN A 52 HETATM 863 ZN ZN A 53 -27.364 -5.645 -11.624 1.00 0.00 ZN HETATM 864 ZN ZN A 54 -26.965 3.494 -10.483 1.00 0.00 ZN