USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 435 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 25 ASN : amide:sc= -0.517 K(o=-0.52,f=-2.7) USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.059 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 1.27 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -2.91 K(o=-2.9,f=-5.1!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -4.26! C(o=-4.3!,f=-4.3!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.0353 X(o=-0.035,f=-0.33) USER MOD Single : A 16 THR OG1 : rot 30:sc= 0.711 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -131:sc= -0.82 (180deg=-3.35!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -0.275 (180deg=-1) USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0224) USER MOD Single : A 31 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -6.82! C(o=-6.8!,f=-11!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0175 X(o=-0.018,f=-0.13) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.16 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.164 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -49.114 0.428 4.904 1.00 0.00 N ATOM 2 CA GLY A 1 -47.884 -0.343 4.917 1.00 0.00 C ATOM 3 C GLY A 1 -46.663 0.519 5.169 1.00 0.00 C ATOM 4 O GLY A 1 -46.694 1.730 4.951 1.00 0.00 O ATOM 0 H1 GLY A 1 -49.668 0.212 5.757 1.00 0.00 H new ATOM 0 H2 GLY A 1 -48.887 1.443 4.886 1.00 0.00 H new ATOM 0 H3 GLY A 1 -49.669 0.182 4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -47.948 -1.111 5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -47.771 -0.858 3.963 1.00 0.00 H new ATOM 8 N SER A 2 -45.585 -0.106 5.632 1.00 0.00 N ATOM 9 CA SER A 2 -44.350 0.613 5.920 1.00 0.00 C ATOM 10 C SER A 2 -43.214 -0.359 6.223 1.00 0.00 C ATOM 11 O SER A 2 -43.445 -1.542 6.476 1.00 0.00 O ATOM 12 CB SER A 2 -44.551 1.564 7.102 1.00 0.00 C ATOM 13 OG SER A 2 -45.070 2.810 6.671 1.00 0.00 O ATOM 0 H SER A 2 -45.542 -1.108 5.816 1.00 0.00 H new ATOM 0 HA SER A 2 -44.083 1.194 5.037 1.00 0.00 H new ATOM 0 HB2 SER A 2 -45.232 1.113 7.824 1.00 0.00 H new ATOM 0 HB3 SER A 2 -43.601 1.719 7.613 1.00 0.00 H new ATOM 0 HG SER A 2 -45.515 2.697 5.805 1.00 0.00 H new ATOM 19 N SER A 3 -41.985 0.148 6.195 1.00 0.00 N ATOM 20 CA SER A 3 -40.812 -0.675 6.463 1.00 0.00 C ATOM 21 C SER A 3 -39.720 0.142 7.146 1.00 0.00 C ATOM 22 O SER A 3 -39.832 1.360 7.281 1.00 0.00 O ATOM 23 CB SER A 3 -40.277 -1.276 5.162 1.00 0.00 C ATOM 24 OG SER A 3 -41.244 -2.111 4.550 1.00 0.00 O ATOM 0 H SER A 3 -41.776 1.125 5.989 1.00 0.00 H new ATOM 0 HA SER A 3 -41.110 -1.482 7.132 1.00 0.00 H new ATOM 0 HB2 SER A 3 -39.997 -0.476 4.477 1.00 0.00 H new ATOM 0 HB3 SER A 3 -39.374 -1.851 5.368 1.00 0.00 H new ATOM 0 HG SER A 3 -40.878 -2.481 3.720 1.00 0.00 H new ATOM 30 N GLY A 4 -38.661 -0.538 7.576 1.00 0.00 N ATOM 31 CA GLY A 4 -37.563 0.139 8.241 1.00 0.00 C ATOM 32 C GLY A 4 -36.453 -0.812 8.642 1.00 0.00 C ATOM 33 O GLY A 4 -36.641 -2.028 8.650 1.00 0.00 O ATOM 0 H GLY A 4 -38.544 -1.546 7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -37.159 0.906 7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -37.939 0.649 9.128 1.00 0.00 H new ATOM 37 N SER A 5 -35.293 -0.256 8.976 1.00 0.00 N ATOM 38 CA SER A 5 -34.146 -1.064 9.375 1.00 0.00 C ATOM 39 C SER A 5 -33.012 -0.181 9.888 1.00 0.00 C ATOM 40 O SER A 5 -33.041 1.039 9.731 1.00 0.00 O ATOM 41 CB SER A 5 -33.656 -1.910 8.198 1.00 0.00 C ATOM 42 OG SER A 5 -33.035 -3.101 8.649 1.00 0.00 O ATOM 0 H SER A 5 -35.122 0.750 8.978 1.00 0.00 H new ATOM 0 HA SER A 5 -34.462 -1.726 10.182 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.496 -2.158 7.549 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.951 -1.333 7.600 1.00 0.00 H new ATOM 0 HG SER A 5 -32.732 -3.624 7.878 1.00 0.00 H new ATOM 48 N SER A 6 -32.015 -0.808 10.503 1.00 0.00 N ATOM 49 CA SER A 6 -30.872 -0.081 11.044 1.00 0.00 C ATOM 50 C SER A 6 -29.653 -0.990 11.156 1.00 0.00 C ATOM 51 O SER A 6 -29.758 -2.208 11.017 1.00 0.00 O ATOM 52 CB SER A 6 -31.215 0.503 12.415 1.00 0.00 C ATOM 53 OG SER A 6 -31.715 -0.497 13.285 1.00 0.00 O ATOM 0 H SER A 6 -31.975 -1.818 10.639 1.00 0.00 H new ATOM 0 HA SER A 6 -30.634 0.733 10.360 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.327 0.959 12.852 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.956 1.294 12.302 1.00 0.00 H new ATOM 0 HG SER A 6 -31.925 -0.098 14.155 1.00 0.00 H new ATOM 59 N GLY A 7 -28.494 -0.389 11.409 1.00 0.00 N ATOM 60 CA GLY A 7 -27.271 -1.158 11.536 1.00 0.00 C ATOM 61 C GLY A 7 -26.066 -0.428 10.976 1.00 0.00 C ATOM 62 O GLY A 7 -26.209 0.494 10.174 1.00 0.00 O ATOM 0 H GLY A 7 -28.381 0.618 11.528 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.097 -1.387 12.587 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.388 -2.110 11.018 1.00 0.00 H new ATOM 66 N GLN A 8 -24.876 -0.841 11.401 1.00 0.00 N ATOM 67 CA GLN A 8 -23.642 -0.218 10.938 1.00 0.00 C ATOM 68 C GLN A 8 -22.514 -1.241 10.852 1.00 0.00 C ATOM 69 O GLN A 8 -22.244 -1.984 11.795 1.00 0.00 O ATOM 70 CB GLN A 8 -23.240 0.924 11.873 1.00 0.00 C ATOM 71 CG GLN A 8 -23.875 2.258 11.512 1.00 0.00 C ATOM 72 CD GLN A 8 -25.318 2.358 11.965 1.00 0.00 C ATOM 73 OE1 GLN A 8 -25.738 1.673 12.898 1.00 0.00 O ATOM 74 NE2 GLN A 8 -26.088 3.216 11.305 1.00 0.00 N ATOM 0 H GLN A 8 -24.741 -1.604 12.065 1.00 0.00 H new ATOM 0 HA GLN A 8 -23.820 0.184 9.941 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -23.519 0.662 12.894 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -22.155 1.031 11.857 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -23.299 3.065 11.965 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -23.826 2.399 10.432 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -25.699 3.764 10.538 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -27.068 3.327 11.566 1.00 0.00 H new ATOM 83 N PRO A 9 -21.838 -1.282 9.694 1.00 0.00 N ATOM 84 CA PRO A 9 -20.729 -2.210 9.457 1.00 0.00 C ATOM 85 C PRO A 9 -19.493 -1.857 10.279 1.00 0.00 C ATOM 86 O PRO A 9 -19.451 -0.821 10.943 1.00 0.00 O ATOM 87 CB PRO A 9 -20.442 -2.046 7.963 1.00 0.00 C ATOM 88 CG PRO A 9 -20.923 -0.675 7.633 1.00 0.00 C ATOM 89 CD PRO A 9 -22.106 -0.425 8.526 1.00 0.00 C ATOM 0 HA PRO A 9 -20.982 -3.230 9.747 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.379 -2.154 7.750 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -20.964 -2.801 7.374 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -20.141 0.065 7.805 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -21.205 -0.603 6.583 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -22.183 0.625 8.807 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -23.043 -0.693 8.037 1.00 0.00 H new ATOM 97 N THR A 10 -18.487 -2.726 10.229 1.00 0.00 N ATOM 98 CA THR A 10 -17.251 -2.506 10.969 1.00 0.00 C ATOM 99 C THR A 10 -16.053 -2.437 10.029 1.00 0.00 C ATOM 100 O THR A 10 -16.130 -2.864 8.877 1.00 0.00 O ATOM 101 CB THR A 10 -17.012 -3.620 12.006 1.00 0.00 C ATOM 102 OG1 THR A 10 -17.154 -4.904 11.388 1.00 0.00 O ATOM 103 CG2 THR A 10 -17.990 -3.499 13.165 1.00 0.00 C ATOM 0 H THR A 10 -18.505 -3.588 9.684 1.00 0.00 H new ATOM 0 HA THR A 10 -17.358 -1.553 11.488 1.00 0.00 H new ATOM 0 HB THR A 10 -15.999 -3.514 12.393 1.00 0.00 H new ATOM 0 HG1 THR A 10 -16.999 -5.606 12.054 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.802 -4.296 13.884 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.859 -2.533 13.652 1.00 0.00 H new ATOM 0 HG23 THR A 10 -19.010 -3.582 12.790 1.00 0.00 H new ATOM 111 N ALA A 11 -14.946 -1.897 10.528 1.00 0.00 N ATOM 112 CA ALA A 11 -13.730 -1.775 9.733 1.00 0.00 C ATOM 113 C ALA A 11 -12.534 -1.421 10.610 1.00 0.00 C ATOM 114 O ALA A 11 -12.668 -0.690 11.591 1.00 0.00 O ATOM 115 CB ALA A 11 -13.915 -0.730 8.643 1.00 0.00 C ATOM 0 H ALA A 11 -14.866 -1.537 11.479 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.532 -2.740 9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.999 -0.649 8.057 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.738 -1.025 7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.141 0.234 9.098 1.00 0.00 H new ATOM 121 N GLN A 12 -11.367 -1.945 10.250 1.00 0.00 N ATOM 122 CA GLN A 12 -10.147 -1.684 11.006 1.00 0.00 C ATOM 123 C GLN A 12 -9.308 -0.605 10.331 1.00 0.00 C ATOM 124 O GLN A 12 -9.533 -0.267 9.169 1.00 0.00 O ATOM 125 CB GLN A 12 -9.328 -2.968 11.151 1.00 0.00 C ATOM 126 CG GLN A 12 -8.951 -3.602 9.822 1.00 0.00 C ATOM 127 CD GLN A 12 -7.949 -2.772 9.043 1.00 0.00 C ATOM 128 OE1 GLN A 12 -8.295 -2.127 8.054 1.00 0.00 O ATOM 129 NE2 GLN A 12 -6.697 -2.785 9.487 1.00 0.00 N ATOM 0 H GLN A 12 -11.240 -2.552 9.440 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.432 -1.329 11.996 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.419 -2.748 11.710 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.897 -3.688 11.739 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.534 -4.593 10.002 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.850 -3.738 9.221 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.454 -3.334 10.311 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.979 -2.246 9.003 1.00 0.00 H new ATOM 138 N GLN A 13 -8.341 -0.067 11.067 1.00 0.00 N ATOM 139 CA GLN A 13 -7.469 0.975 10.539 1.00 0.00 C ATOM 140 C GLN A 13 -6.002 0.600 10.717 1.00 0.00 C ATOM 141 O GLN A 13 -5.609 0.072 11.757 1.00 0.00 O ATOM 142 CB GLN A 13 -7.754 2.308 11.233 1.00 0.00 C ATOM 143 CG GLN A 13 -7.593 2.254 12.744 1.00 0.00 C ATOM 144 CD GLN A 13 -7.464 3.630 13.367 1.00 0.00 C ATOM 145 OE1 GLN A 13 -8.450 4.351 13.519 1.00 0.00 O ATOM 146 NE2 GLN A 13 -6.242 4.002 13.732 1.00 0.00 N ATOM 0 H GLN A 13 -8.142 -0.336 12.031 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.672 1.077 9.473 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.084 3.068 10.831 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.770 2.622 10.995 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.451 1.742 13.179 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.711 1.664 12.991 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.453 3.372 13.587 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.093 4.917 14.157 1.00 0.00 H new ATOM 155 N GLN A 14 -5.198 0.874 9.694 1.00 0.00 N ATOM 156 CA GLN A 14 -3.774 0.563 9.738 1.00 0.00 C ATOM 157 C GLN A 14 -2.943 1.750 9.262 1.00 0.00 C ATOM 158 O GLN A 14 -3.450 2.644 8.584 1.00 0.00 O ATOM 159 CB GLN A 14 -3.472 -0.665 8.877 1.00 0.00 C ATOM 160 CG GLN A 14 -3.566 -1.978 9.637 1.00 0.00 C ATOM 161 CD GLN A 14 -2.389 -2.200 10.567 1.00 0.00 C ATOM 162 OE1 GLN A 14 -1.234 -2.025 10.178 1.00 0.00 O ATOM 163 NE2 GLN A 14 -2.677 -2.587 11.804 1.00 0.00 N ATOM 0 H GLN A 14 -5.508 1.310 8.826 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.506 0.347 10.772 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.167 -0.690 8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.470 -0.568 8.459 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.489 -1.993 10.216 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.622 -2.802 8.926 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.649 -2.720 12.084 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.926 -2.751 12.475 1.00 0.00 H new ATOM 172 N LEU A 15 -1.664 1.752 9.621 1.00 0.00 N ATOM 173 CA LEU A 15 -0.761 2.830 9.231 1.00 0.00 C ATOM 174 C LEU A 15 -0.237 2.614 7.814 1.00 0.00 C ATOM 175 O LEU A 15 0.580 1.726 7.571 1.00 0.00 O ATOM 176 CB LEU A 15 0.409 2.922 10.211 1.00 0.00 C ATOM 177 CG LEU A 15 0.205 3.843 11.415 1.00 0.00 C ATOM 178 CD1 LEU A 15 -0.459 3.091 12.557 1.00 0.00 C ATOM 179 CD2 LEU A 15 1.533 4.435 11.864 1.00 0.00 C ATOM 0 H LEU A 15 -1.229 1.019 10.181 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.320 3.766 9.254 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.629 1.920 10.579 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.289 3.261 9.664 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.452 4.660 11.116 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.596 3.763 13.404 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.429 2.717 12.231 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.171 2.253 12.856 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.369 5.088 12.721 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.213 3.631 12.145 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.969 5.011 11.048 1.00 0.00 H new ATOM 191 N THR A 16 -0.711 3.435 6.882 1.00 0.00 N ATOM 192 CA THR A 16 -0.289 3.336 5.491 1.00 0.00 C ATOM 193 C THR A 16 0.118 4.698 4.941 1.00 0.00 C ATOM 194 O THR A 16 -0.718 5.586 4.771 1.00 0.00 O ATOM 195 CB THR A 16 -1.406 2.751 4.606 1.00 0.00 C ATOM 196 OG1 THR A 16 -2.564 3.592 4.659 1.00 0.00 O ATOM 197 CG2 THR A 16 -1.773 1.345 5.056 1.00 0.00 C ATOM 0 H THR A 16 -1.387 4.176 7.066 1.00 0.00 H new ATOM 0 HA THR A 16 0.571 2.667 5.469 1.00 0.00 H new ATOM 0 HB THR A 16 -1.039 2.703 3.581 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.288 4.520 4.811 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.564 0.953 4.416 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.897 0.700 4.986 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.122 1.373 6.088 1.00 0.00 H new ATOM 205 N LYS A 17 1.408 4.857 4.663 1.00 0.00 N ATOM 206 CA LYS A 17 1.927 6.111 4.130 1.00 0.00 C ATOM 207 C LYS A 17 2.296 5.964 2.657 1.00 0.00 C ATOM 208 O LYS A 17 2.673 4.889 2.191 1.00 0.00 O ATOM 209 CB LYS A 17 3.150 6.562 4.931 1.00 0.00 C ATOM 210 CG LYS A 17 4.401 5.750 4.640 1.00 0.00 C ATOM 211 CD LYS A 17 4.579 4.622 5.642 1.00 0.00 C ATOM 212 CE LYS A 17 4.976 5.150 7.012 1.00 0.00 C ATOM 213 NZ LYS A 17 4.481 4.273 8.109 1.00 0.00 N ATOM 0 H LYS A 17 2.113 4.133 4.798 1.00 0.00 H new ATOM 0 HA LYS A 17 1.145 6.866 4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.349 7.611 4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.922 6.494 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.342 5.337 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.274 6.402 4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.650 4.057 5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.342 3.931 5.282 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.062 5.227 7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.577 6.156 7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.772 4.667 9.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.443 4.219 8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.882 3.320 7.999 1.00 0.00 H new ATOM 227 N PRO A 18 2.189 7.071 1.906 1.00 0.00 N ATOM 228 CA PRO A 18 2.509 7.091 0.476 1.00 0.00 C ATOM 229 C PRO A 18 4.004 6.941 0.215 1.00 0.00 C ATOM 230 O PRO A 18 4.813 6.987 1.140 1.00 0.00 O ATOM 231 CB PRO A 18 2.023 8.470 0.023 1.00 0.00 C ATOM 232 CG PRO A 18 2.067 9.310 1.253 1.00 0.00 C ATOM 233 CD PRO A 18 1.746 8.387 2.396 1.00 0.00 C ATOM 0 HA PRO A 18 2.043 6.263 -0.058 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.664 8.879 -0.759 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.014 8.419 -0.386 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.050 9.763 1.381 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.346 10.125 1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.273 8.675 3.306 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.681 8.391 2.629 1.00 0.00 H new ATOM 241 N ALA A 19 4.363 6.760 -1.052 1.00 0.00 N ATOM 242 CA ALA A 19 5.761 6.606 -1.435 1.00 0.00 C ATOM 243 C ALA A 19 6.287 5.227 -1.050 1.00 0.00 C ATOM 244 O ALA A 19 7.417 5.091 -0.581 1.00 0.00 O ATOM 245 CB ALA A 19 6.607 7.695 -0.793 1.00 0.00 C ATOM 0 H ALA A 19 3.705 6.716 -1.830 1.00 0.00 H new ATOM 0 HA ALA A 19 5.828 6.701 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.649 7.568 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.254 8.672 -1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.526 7.627 0.292 1.00 0.00 H new ATOM 251 N LYS A 20 5.459 4.207 -1.249 1.00 0.00 N ATOM 252 CA LYS A 20 5.840 2.838 -0.923 1.00 0.00 C ATOM 253 C LYS A 20 4.841 1.842 -1.504 1.00 0.00 C ATOM 254 O LYS A 20 3.642 2.116 -1.565 1.00 0.00 O ATOM 255 CB LYS A 20 5.930 2.659 0.595 1.00 0.00 C ATOM 256 CG LYS A 20 6.541 1.334 1.016 1.00 0.00 C ATOM 257 CD LYS A 20 8.056 1.355 0.898 1.00 0.00 C ATOM 258 CE LYS A 20 8.633 -0.051 0.879 1.00 0.00 C ATOM 259 NZ LYS A 20 8.383 -0.772 2.158 1.00 0.00 N ATOM 0 H LYS A 20 4.520 4.303 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 20 6.818 2.645 -1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.523 3.472 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.930 2.741 1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.259 1.113 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.138 0.533 0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.344 1.880 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.479 1.912 1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.194 -0.612 0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.706 -0.000 0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.270 -1.198 2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.027 -0.103 2.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.677 -1.520 2.003 1.00 0.00 H new ATOM 273 N ILE A 21 5.343 0.687 -1.927 1.00 0.00 N ATOM 274 CA ILE A 21 4.494 -0.350 -2.501 1.00 0.00 C ATOM 275 C ILE A 21 4.689 -1.681 -1.782 1.00 0.00 C ATOM 276 O ILE A 21 5.817 -2.092 -1.509 1.00 0.00 O ATOM 277 CB ILE A 21 4.777 -0.543 -4.002 1.00 0.00 C ATOM 278 CG1 ILE A 21 4.675 0.794 -4.739 1.00 0.00 C ATOM 279 CG2 ILE A 21 3.812 -1.558 -4.597 1.00 0.00 C ATOM 280 CD1 ILE A 21 5.130 0.726 -6.180 1.00 0.00 C ATOM 0 H ILE A 21 6.333 0.446 -1.883 1.00 0.00 H new ATOM 0 HA ILE A 21 3.463 -0.019 -2.374 1.00 0.00 H new ATOM 0 HB ILE A 21 5.792 -0.924 -4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.641 1.138 -4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.274 1.537 -4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.025 -1.683 -5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.930 -2.514 -4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.789 -1.204 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.030 1.709 -6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.173 0.412 -6.218 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.515 0.008 -6.722 1.00 0.00 H new ATOM 292 N THR A 22 3.582 -2.352 -1.479 1.00 0.00 N ATOM 293 CA THR A 22 3.631 -3.637 -0.793 1.00 0.00 C ATOM 294 C THR A 22 2.579 -4.593 -1.343 1.00 0.00 C ATOM 295 O THR A 22 1.604 -4.170 -1.963 1.00 0.00 O ATOM 296 CB THR A 22 3.417 -3.472 0.723 1.00 0.00 C ATOM 297 OG1 THR A 22 2.393 -2.503 0.971 1.00 0.00 O ATOM 298 CG2 THR A 22 4.706 -3.042 1.408 1.00 0.00 C ATOM 0 H THR A 22 2.640 -2.027 -1.698 1.00 0.00 H new ATOM 0 HA THR A 22 4.623 -4.053 -0.969 1.00 0.00 H new ATOM 0 HB THR A 22 3.111 -4.435 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.262 -2.405 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.530 -2.932 2.478 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.475 -3.796 1.242 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.037 -2.089 0.995 1.00 0.00 H new ATOM 306 N CYS A 23 2.783 -5.886 -1.110 1.00 0.00 N ATOM 307 CA CYS A 23 1.852 -6.904 -1.582 1.00 0.00 C ATOM 308 C CYS A 23 0.495 -6.758 -0.899 1.00 0.00 C ATOM 309 O CYS A 23 0.415 -6.596 0.318 1.00 0.00 O ATOM 310 CB CYS A 23 2.418 -8.301 -1.322 1.00 0.00 C ATOM 311 SG CYS A 23 1.340 -9.657 -1.887 1.00 0.00 S ATOM 0 H CYS A 23 3.585 -6.253 -0.597 1.00 0.00 H new ATOM 0 HA CYS A 23 1.716 -6.768 -2.655 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.384 -8.388 -1.819 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.598 -8.415 -0.253 1.00 0.00 H new ATOM 316 N ALA A 24 -0.569 -6.816 -1.693 1.00 0.00 N ATOM 317 CA ALA A 24 -1.923 -6.692 -1.166 1.00 0.00 C ATOM 318 C ALA A 24 -2.401 -8.010 -0.566 1.00 0.00 C ATOM 319 O ALA A 24 -3.593 -8.198 -0.329 1.00 0.00 O ATOM 320 CB ALA A 24 -2.875 -6.232 -2.260 1.00 0.00 C ATOM 0 H ALA A 24 -0.520 -6.948 -2.703 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.911 -5.945 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.882 -6.144 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.551 -5.263 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.875 -6.959 -3.072 1.00 0.00 H new ATOM 326 N ASN A 25 -1.462 -8.919 -0.323 1.00 0.00 N ATOM 327 CA ASN A 25 -1.789 -10.220 0.249 1.00 0.00 C ATOM 328 C ASN A 25 -0.994 -10.467 1.528 1.00 0.00 C ATOM 329 O ASN A 25 -1.568 -10.655 2.601 1.00 0.00 O ATOM 330 CB ASN A 25 -1.504 -11.331 -0.764 1.00 0.00 C ATOM 331 CG ASN A 25 -2.281 -12.599 -0.465 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.423 -12.757 -0.896 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.662 -13.510 0.277 1.00 0.00 N ATOM 0 H ASN A 25 -0.470 -8.779 -0.513 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.851 -10.225 0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.757 -10.980 -1.765 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.437 -11.554 -0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.134 -14.383 0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.715 -13.336 0.613 1.00 0.00 H new ATOM 340 N CYS A 26 0.329 -10.465 1.406 1.00 0.00 N ATOM 341 CA CYS A 26 1.203 -10.688 2.551 1.00 0.00 C ATOM 342 C CYS A 26 1.658 -9.363 3.154 1.00 0.00 C ATOM 343 O CYS A 26 2.093 -9.308 4.305 1.00 0.00 O ATOM 344 CB CYS A 26 2.421 -11.517 2.135 1.00 0.00 C ATOM 345 SG CYS A 26 3.357 -10.814 0.740 1.00 0.00 S ATOM 0 H CYS A 26 0.819 -10.311 0.525 1.00 0.00 H new ATOM 0 HA CYS A 26 0.639 -11.236 3.306 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.088 -11.619 2.991 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.090 -12.521 1.868 1.00 0.00 H new ATOM 350 N LYS A 27 1.555 -8.295 2.370 1.00 0.00 N ATOM 351 CA LYS A 27 1.954 -6.969 2.825 1.00 0.00 C ATOM 352 C LYS A 27 3.464 -6.892 3.021 1.00 0.00 C ATOM 353 O LYS A 27 3.944 -6.414 4.049 1.00 0.00 O ATOM 354 CB LYS A 27 1.241 -6.621 4.134 1.00 0.00 C ATOM 355 CG LYS A 27 -0.266 -6.799 4.072 1.00 0.00 C ATOM 356 CD LYS A 27 -0.959 -5.531 3.600 1.00 0.00 C ATOM 357 CE LYS A 27 -1.320 -4.626 4.767 1.00 0.00 C ATOM 358 NZ LYS A 27 -0.161 -3.803 5.211 1.00 0.00 N ATOM 0 H LYS A 27 1.198 -8.323 1.415 1.00 0.00 H new ATOM 0 HA LYS A 27 1.668 -6.248 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.640 -7.247 4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.466 -5.587 4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.509 -7.620 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.642 -7.075 5.057 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.308 -4.994 2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.862 -5.792 3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.141 -3.970 4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.675 -5.232 5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.506 -2.965 5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.445 -4.368 5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.388 -3.500 4.381 1.00 0.00 H new ATOM 372 N LYS A 28 4.210 -7.364 2.028 1.00 0.00 N ATOM 373 CA LYS A 28 5.666 -7.347 2.088 1.00 0.00 C ATOM 374 C LYS A 28 6.232 -6.203 1.253 1.00 0.00 C ATOM 375 O LYS A 28 5.716 -5.866 0.187 1.00 0.00 O ATOM 376 CB LYS A 28 6.234 -8.681 1.597 1.00 0.00 C ATOM 377 CG LYS A 28 6.409 -9.710 2.700 1.00 0.00 C ATOM 378 CD LYS A 28 6.786 -11.071 2.138 1.00 0.00 C ATOM 379 CE LYS A 28 7.054 -12.077 3.247 1.00 0.00 C ATOM 380 NZ LYS A 28 8.352 -11.819 3.928 1.00 0.00 N ATOM 0 H LYS A 28 3.829 -7.764 1.170 1.00 0.00 H new ATOM 0 HA LYS A 28 5.959 -7.195 3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.572 -9.089 0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.198 -8.503 1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.181 -9.375 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.484 -9.794 3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.982 -11.437 1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.672 -10.974 1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.246 -12.036 3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.056 -13.084 2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.546 -12.583 4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.114 -11.782 3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.305 -10.911 4.433 1.00 0.00 H new ATOM 394 N PRO A 29 7.320 -5.592 1.745 1.00 0.00 N ATOM 395 CA PRO A 29 7.981 -4.478 1.058 1.00 0.00 C ATOM 396 C PRO A 29 8.687 -4.921 -0.219 1.00 0.00 C ATOM 397 O PRO A 29 9.833 -5.371 -0.182 1.00 0.00 O ATOM 398 CB PRO A 29 8.999 -3.980 2.087 1.00 0.00 C ATOM 399 CG PRO A 29 9.275 -5.163 2.950 1.00 0.00 C ATOM 400 CD PRO A 29 7.989 -5.941 3.009 1.00 0.00 C ATOM 0 HA PRO A 29 7.269 -3.716 0.739 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.908 -3.622 1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.600 -3.150 2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.080 -5.770 2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.590 -4.854 3.947 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.171 -7.013 3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.388 -5.658 3.873 1.00 0.00 H new ATOM 408 N LEU A 30 7.997 -4.792 -1.346 1.00 0.00 N ATOM 409 CA LEU A 30 8.559 -5.179 -2.636 1.00 0.00 C ATOM 410 C LEU A 30 9.743 -4.291 -3.002 1.00 0.00 C ATOM 411 O LEU A 30 9.618 -3.069 -3.065 1.00 0.00 O ATOM 412 CB LEU A 30 7.489 -5.098 -3.726 1.00 0.00 C ATOM 413 CG LEU A 30 6.157 -5.781 -3.412 1.00 0.00 C ATOM 414 CD1 LEU A 30 5.141 -5.500 -4.508 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.355 -7.280 -3.237 1.00 0.00 C ATOM 0 H LEU A 30 7.047 -4.423 -1.394 1.00 0.00 H new ATOM 0 HA LEU A 30 8.911 -6.208 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.294 -4.047 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.894 -5.538 -4.638 1.00 0.00 H new ATOM 0 HG LEU A 30 5.773 -5.373 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.200 -5.994 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.977 -4.425 -4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.517 -5.879 -5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.397 -7.750 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.762 -7.703 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.048 -7.462 -2.416 1.00 0.00 H new ATOM 427 N GLN A 31 10.891 -4.915 -3.245 1.00 0.00 N ATOM 428 CA GLN A 31 12.098 -4.181 -3.607 1.00 0.00 C ATOM 429 C GLN A 31 12.027 -3.696 -5.052 1.00 0.00 C ATOM 430 O GLN A 31 11.930 -4.497 -5.982 1.00 0.00 O ATOM 431 CB GLN A 31 13.334 -5.060 -3.411 1.00 0.00 C ATOM 432 CG GLN A 31 13.659 -5.336 -1.952 1.00 0.00 C ATOM 433 CD GLN A 31 15.139 -5.563 -1.717 1.00 0.00 C ATOM 434 OE1 GLN A 31 15.984 -5.009 -2.422 1.00 0.00 O ATOM 435 NE2 GLN A 31 15.462 -6.380 -0.722 1.00 0.00 N ATOM 0 H GLN A 31 11.011 -5.927 -3.198 1.00 0.00 H new ATOM 0 HA GLN A 31 12.173 -3.311 -2.954 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.181 -6.008 -3.926 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.191 -4.577 -3.881 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.323 -4.496 -1.344 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.103 -6.213 -1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.729 -6.818 -0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.443 -6.570 -0.516 1.00 0.00 H new ATOM 444 N LYS A 32 12.077 -2.381 -5.233 1.00 0.00 N ATOM 445 CA LYS A 32 12.020 -1.789 -6.564 1.00 0.00 C ATOM 446 C LYS A 32 12.711 -2.683 -7.588 1.00 0.00 C ATOM 447 O LYS A 32 13.837 -3.131 -7.375 1.00 0.00 O ATOM 448 CB LYS A 32 12.673 -0.405 -6.557 1.00 0.00 C ATOM 449 CG LYS A 32 12.405 0.401 -7.817 1.00 0.00 C ATOM 450 CD LYS A 32 11.055 1.095 -7.758 1.00 0.00 C ATOM 451 CE LYS A 32 10.968 2.231 -8.766 1.00 0.00 C ATOM 452 NZ LYS A 32 9.826 3.143 -8.477 1.00 0.00 N ATOM 0 H LYS A 32 12.157 -1.704 -4.474 1.00 0.00 H new ATOM 0 HA LYS A 32 10.972 -1.689 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.311 0.154 -5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.750 -0.521 -6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.192 1.144 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.439 -0.257 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.264 0.371 -7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.889 1.485 -6.754 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.898 2.799 -8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.859 1.819 -9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.801 3.904 -9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.936 2.607 -8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.943 3.556 -7.530 1.00 0.00 H new ATOM 466 N GLY A 33 12.029 -2.939 -8.700 1.00 0.00 N ATOM 467 CA GLY A 33 12.594 -3.778 -9.741 1.00 0.00 C ATOM 468 C GLY A 33 11.884 -5.112 -9.860 1.00 0.00 C ATOM 469 O GLY A 33 11.611 -5.580 -10.964 1.00 0.00 O ATOM 0 H GLY A 33 11.095 -2.580 -8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 33 12.539 -3.254 -10.695 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.650 -3.949 -9.532 1.00 0.00 H new ATOM 473 N GLN A 34 11.585 -5.725 -8.719 1.00 0.00 N ATOM 474 CA GLN A 34 10.904 -7.014 -8.701 1.00 0.00 C ATOM 475 C GLN A 34 9.689 -7.001 -9.622 1.00 0.00 C ATOM 476 O GLN A 34 9.309 -5.957 -10.152 1.00 0.00 O ATOM 477 CB GLN A 34 10.475 -7.368 -7.276 1.00 0.00 C ATOM 478 CG GLN A 34 9.523 -6.357 -6.658 1.00 0.00 C ATOM 479 CD GLN A 34 8.224 -6.231 -7.430 1.00 0.00 C ATOM 480 OE1 GLN A 34 7.570 -7.229 -7.733 1.00 0.00 O ATOM 481 NE2 GLN A 34 7.844 -5.001 -7.753 1.00 0.00 N ATOM 0 H GLN A 34 11.803 -5.350 -7.796 1.00 0.00 H new ATOM 0 HA GLN A 34 11.602 -7.770 -9.061 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.997 -8.348 -7.282 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.362 -7.450 -6.648 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.304 -6.650 -5.631 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.011 -5.383 -6.614 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.417 -4.202 -7.481 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.979 -4.855 -8.273 1.00 0.00 H new ATOM 490 N THR A 35 9.082 -8.169 -9.810 1.00 0.00 N ATOM 491 CA THR A 35 7.911 -8.293 -10.668 1.00 0.00 C ATOM 492 C THR A 35 6.637 -8.431 -9.843 1.00 0.00 C ATOM 493 O THR A 35 6.572 -9.236 -8.914 1.00 0.00 O ATOM 494 CB THR A 35 8.032 -9.504 -11.612 1.00 0.00 C ATOM 495 OG1 THR A 35 9.155 -9.335 -12.485 1.00 0.00 O ATOM 496 CG2 THR A 35 6.764 -9.676 -12.436 1.00 0.00 C ATOM 0 H THR A 35 9.383 -9.043 -9.379 1.00 0.00 H new ATOM 0 HA THR A 35 7.858 -7.382 -11.264 1.00 0.00 H new ATOM 0 HB THR A 35 8.176 -10.397 -11.005 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.226 -10.110 -13.081 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.873 -10.537 -13.095 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.916 -9.834 -11.770 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.594 -8.781 -13.034 1.00 0.00 H new ATOM 504 N ALA A 36 5.625 -7.642 -10.189 1.00 0.00 N ATOM 505 CA ALA A 36 4.351 -7.679 -9.481 1.00 0.00 C ATOM 506 C ALA A 36 3.223 -8.131 -10.404 1.00 0.00 C ATOM 507 O ALA A 36 3.327 -8.023 -11.626 1.00 0.00 O ATOM 508 CB ALA A 36 4.036 -6.314 -8.889 1.00 0.00 C ATOM 0 H ALA A 36 5.663 -6.970 -10.955 1.00 0.00 H new ATOM 0 HA ALA A 36 4.435 -8.403 -8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.082 -6.357 -8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.823 -6.030 -8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.977 -5.575 -9.689 1.00 0.00 H new ATOM 514 N TYR A 37 2.148 -8.637 -9.811 1.00 0.00 N ATOM 515 CA TYR A 37 1.002 -9.108 -10.580 1.00 0.00 C ATOM 516 C TYR A 37 -0.244 -8.288 -10.260 1.00 0.00 C ATOM 517 O TYR A 37 -0.605 -8.118 -9.096 1.00 0.00 O ATOM 518 CB TYR A 37 0.740 -10.587 -10.291 1.00 0.00 C ATOM 519 CG TYR A 37 1.876 -11.495 -10.706 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.101 -11.451 -10.052 1.00 0.00 C ATOM 521 CD2 TYR A 37 1.724 -12.397 -11.752 1.00 0.00 C ATOM 522 CE1 TYR A 37 4.142 -12.278 -10.427 1.00 0.00 C ATOM 523 CE2 TYR A 37 2.759 -13.229 -12.134 1.00 0.00 C ATOM 524 CZ TYR A 37 3.966 -13.166 -11.469 1.00 0.00 C ATOM 525 OH TYR A 37 4.999 -13.992 -11.846 1.00 0.00 O ATOM 0 H TYR A 37 2.046 -8.732 -8.801 1.00 0.00 H new ATOM 0 HA TYR A 37 1.233 -8.986 -11.638 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.556 -10.713 -9.224 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.168 -10.895 -10.809 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.242 -10.758 -9.236 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.781 -12.449 -12.275 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.088 -12.230 -9.908 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.624 -13.925 -12.949 1.00 0.00 H new ATOM 0 HH TYR A 37 4.711 -14.556 -12.594 1.00 0.00 H new ATOM 535 N GLN A 38 -0.895 -7.781 -11.302 1.00 0.00 N ATOM 536 CA GLN A 38 -2.100 -6.978 -11.133 1.00 0.00 C ATOM 537 C GLN A 38 -3.290 -7.628 -11.832 1.00 0.00 C ATOM 538 O GLN A 38 -3.183 -8.073 -12.975 1.00 0.00 O ATOM 539 CB GLN A 38 -1.879 -5.567 -11.680 1.00 0.00 C ATOM 540 CG GLN A 38 -2.909 -4.559 -11.196 1.00 0.00 C ATOM 541 CD GLN A 38 -2.446 -3.125 -11.366 1.00 0.00 C ATOM 542 OE1 GLN A 38 -2.250 -2.653 -12.486 1.00 0.00 O ATOM 543 NE2 GLN A 38 -2.269 -2.424 -10.252 1.00 0.00 N ATOM 0 H GLN A 38 -0.608 -7.912 -12.272 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.319 -6.916 -10.067 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.885 -5.226 -11.391 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.900 -5.601 -12.769 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.840 -4.704 -11.745 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.127 -4.744 -10.144 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.444 -2.856 -9.345 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.959 -1.454 -10.304 1.00 0.00 H new ATOM 552 N ARG A 39 -4.422 -7.679 -11.138 1.00 0.00 N ATOM 553 CA ARG A 39 -5.631 -8.276 -11.691 1.00 0.00 C ATOM 554 C ARG A 39 -6.491 -7.221 -12.381 1.00 0.00 C ATOM 555 O ARG A 39 -6.405 -6.033 -12.070 1.00 0.00 O ATOM 556 CB ARG A 39 -6.437 -8.965 -10.588 1.00 0.00 C ATOM 557 CG ARG A 39 -5.848 -10.293 -10.143 1.00 0.00 C ATOM 558 CD ARG A 39 -6.262 -11.425 -11.070 1.00 0.00 C ATOM 559 NE ARG A 39 -5.370 -11.545 -12.220 1.00 0.00 N ATOM 560 CZ ARG A 39 -5.729 -12.094 -13.375 1.00 0.00 C ATOM 561 NH1 ARG A 39 -6.956 -12.571 -13.533 1.00 0.00 N ATOM 562 NH2 ARG A 39 -4.861 -12.166 -14.376 1.00 0.00 N ATOM 0 H ARG A 39 -4.527 -7.314 -10.191 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.333 -9.019 -12.431 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.502 -8.299 -9.727 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.455 -9.129 -10.942 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.761 -10.220 -10.119 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.175 -10.515 -9.127 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.267 -12.364 -10.516 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.281 -11.254 -11.418 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.419 -11.188 -12.131 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.627 -12.517 -12.767 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.229 -12.992 -14.421 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.916 -11.799 -14.259 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.138 -12.588 -15.262 1.00 0.00 H new ATOM 576 N LYS A 40 -7.321 -7.663 -13.320 1.00 0.00 N ATOM 577 CA LYS A 40 -8.198 -6.758 -14.054 1.00 0.00 C ATOM 578 C LYS A 40 -9.218 -6.113 -13.121 1.00 0.00 C ATOM 579 O LYS A 40 -9.712 -6.748 -12.190 1.00 0.00 O ATOM 580 CB LYS A 40 -8.921 -7.512 -15.173 1.00 0.00 C ATOM 581 CG LYS A 40 -9.326 -6.627 -16.339 1.00 0.00 C ATOM 582 CD LYS A 40 -10.114 -7.404 -17.380 1.00 0.00 C ATOM 583 CE LYS A 40 -11.606 -7.378 -17.083 1.00 0.00 C ATOM 584 NZ LYS A 40 -12.360 -8.329 -17.946 1.00 0.00 N ATOM 0 H LYS A 40 -7.405 -8.643 -13.591 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.583 -5.971 -14.491 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.274 -8.309 -15.540 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.811 -7.988 -14.763 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.927 -5.794 -15.974 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.435 -6.200 -16.800 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.931 -6.980 -18.367 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.765 -8.436 -17.406 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.772 -7.628 -16.035 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.989 -6.369 -17.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.372 -8.281 -17.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.222 -8.075 -18.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.012 -9.296 -17.783 1.00 0.00 H new ATOM 598 N GLY A 41 -9.530 -4.846 -13.378 1.00 0.00 N ATOM 599 CA GLY A 41 -10.490 -4.136 -12.554 1.00 0.00 C ATOM 600 C GLY A 41 -10.108 -4.138 -11.087 1.00 0.00 C ATOM 601 O GLY A 41 -10.962 -4.304 -10.216 1.00 0.00 O ATOM 0 H GLY A 41 -9.135 -4.299 -14.143 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.573 -3.107 -12.903 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.473 -4.593 -12.671 1.00 0.00 H new ATOM 605 N SER A 42 -8.820 -3.954 -10.812 1.00 0.00 N ATOM 606 CA SER A 42 -8.326 -3.940 -9.441 1.00 0.00 C ATOM 607 C SER A 42 -6.987 -3.213 -9.353 1.00 0.00 C ATOM 608 O SER A 42 -6.080 -3.463 -10.146 1.00 0.00 O ATOM 609 CB SER A 42 -8.178 -5.369 -8.915 1.00 0.00 C ATOM 610 OG SER A 42 -7.840 -5.374 -7.539 1.00 0.00 O ATOM 0 H SER A 42 -8.100 -3.813 -11.521 1.00 0.00 H new ATOM 0 HA SER A 42 -9.051 -3.407 -8.826 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.110 -5.914 -9.066 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.408 -5.891 -9.484 1.00 0.00 H new ATOM 0 HG SER A 42 -7.753 -6.299 -7.227 1.00 0.00 H new ATOM 616 N ALA A 43 -6.873 -2.312 -8.383 1.00 0.00 N ATOM 617 CA ALA A 43 -5.646 -1.549 -8.190 1.00 0.00 C ATOM 618 C ALA A 43 -4.812 -2.130 -7.053 1.00 0.00 C ATOM 619 O ALA A 43 -4.296 -1.396 -6.210 1.00 0.00 O ATOM 620 CB ALA A 43 -5.971 -0.088 -7.916 1.00 0.00 C ATOM 0 H ALA A 43 -7.615 -2.093 -7.719 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.059 -1.613 -9.106 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.046 0.470 -7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.519 0.328 -8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.581 -0.014 -7.016 1.00 0.00 H new ATOM 626 N HIS A 44 -4.684 -3.453 -7.036 1.00 0.00 N ATOM 627 CA HIS A 44 -3.912 -4.133 -6.001 1.00 0.00 C ATOM 628 C HIS A 44 -2.808 -4.985 -6.620 1.00 0.00 C ATOM 629 O HIS A 44 -3.075 -5.878 -7.424 1.00 0.00 O ATOM 630 CB HIS A 44 -4.827 -5.007 -5.144 1.00 0.00 C ATOM 631 CG HIS A 44 -5.791 -4.224 -4.307 1.00 0.00 C ATOM 632 ND1 HIS A 44 -5.488 -2.996 -3.759 1.00 0.00 N ATOM 633 CD2 HIS A 44 -7.061 -4.501 -3.926 1.00 0.00 C ATOM 634 CE1 HIS A 44 -6.527 -2.552 -3.076 1.00 0.00 C ATOM 635 NE2 HIS A 44 -7.495 -3.446 -3.162 1.00 0.00 N ATOM 0 H HIS A 44 -5.104 -4.075 -7.726 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.451 -3.375 -5.368 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.386 -5.680 -5.794 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.215 -5.630 -4.492 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.627 -5.386 -4.176 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.577 -1.617 -2.538 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.416 -3.366 -2.731 1.00 0.00 H new ATOM 644 N LEU A 45 -1.566 -4.702 -6.240 1.00 0.00 N ATOM 645 CA LEU A 45 -0.421 -5.442 -6.757 1.00 0.00 C ATOM 646 C LEU A 45 -0.115 -6.654 -5.883 1.00 0.00 C ATOM 647 O LEU A 45 -0.643 -6.785 -4.778 1.00 0.00 O ATOM 648 CB LEU A 45 0.807 -4.532 -6.834 1.00 0.00 C ATOM 649 CG LEU A 45 0.846 -3.557 -8.012 1.00 0.00 C ATOM 650 CD1 LEU A 45 2.009 -2.589 -7.864 1.00 0.00 C ATOM 651 CD2 LEU A 45 0.944 -4.314 -9.328 1.00 0.00 C ATOM 0 H LEU A 45 -1.327 -3.966 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.670 -5.793 -7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.867 -3.957 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.697 -5.159 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.080 -2.983 -8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.021 -1.903 -8.711 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.896 -2.023 -6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.945 -3.147 -7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.971 -3.604 -10.155 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.854 -4.914 -9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.078 -4.967 -9.438 1.00 0.00 H new ATOM 663 N PHE A 46 0.743 -7.537 -6.383 1.00 0.00 N ATOM 664 CA PHE A 46 1.120 -8.738 -5.647 1.00 0.00 C ATOM 665 C PHE A 46 2.609 -9.030 -5.810 1.00 0.00 C ATOM 666 O PHE A 46 3.205 -8.719 -6.841 1.00 0.00 O ATOM 667 CB PHE A 46 0.298 -9.936 -6.128 1.00 0.00 C ATOM 668 CG PHE A 46 -1.158 -9.845 -5.771 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.572 -9.975 -4.455 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.113 -9.629 -6.752 1.00 0.00 C ATOM 671 CE1 PHE A 46 -2.912 -9.893 -4.125 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.454 -9.546 -6.427 1.00 0.00 C ATOM 673 CZ PHE A 46 -3.853 -9.677 -5.112 1.00 0.00 C ATOM 0 H PHE A 46 1.190 -7.443 -7.295 1.00 0.00 H new ATOM 0 HA PHE A 46 0.915 -8.566 -4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.394 -10.021 -7.210 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.713 -10.848 -5.698 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.840 -10.142 -3.679 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.806 -9.524 -7.782 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.223 -9.998 -3.096 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.189 -9.379 -7.201 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.900 -9.611 -4.856 1.00 0.00 H new ATOM 683 N CYS A 47 3.203 -9.630 -4.784 1.00 0.00 N ATOM 684 CA CYS A 47 4.622 -9.964 -4.811 1.00 0.00 C ATOM 685 C CYS A 47 4.881 -11.165 -5.717 1.00 0.00 C ATOM 686 O CYS A 47 5.936 -11.266 -6.343 1.00 0.00 O ATOM 687 CB CYS A 47 5.124 -10.261 -3.396 1.00 0.00 C ATOM 688 SG CYS A 47 4.557 -11.857 -2.726 1.00 0.00 S ATOM 0 H CYS A 47 2.724 -9.895 -3.923 1.00 0.00 H new ATOM 0 HA CYS A 47 5.164 -9.107 -5.210 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.214 -10.247 -3.398 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.796 -9.463 -2.730 1.00 0.00 H new ATOM 693 N SER A 48 3.911 -12.071 -5.780 1.00 0.00 N ATOM 694 CA SER A 48 4.035 -13.267 -6.606 1.00 0.00 C ATOM 695 C SER A 48 2.691 -13.974 -6.743 1.00 0.00 C ATOM 696 O SER A 48 1.815 -13.840 -5.888 1.00 0.00 O ATOM 697 CB SER A 48 5.068 -14.223 -6.006 1.00 0.00 C ATOM 698 OG SER A 48 5.234 -15.371 -6.819 1.00 0.00 O ATOM 0 H SER A 48 3.031 -12.000 -5.269 1.00 0.00 H new ATOM 0 HA SER A 48 4.368 -12.960 -7.598 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.023 -13.709 -5.897 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.752 -14.524 -5.007 1.00 0.00 H new ATOM 0 HG SER A 48 5.900 -15.965 -6.414 1.00 0.00 H new ATOM 704 N THR A 49 2.533 -14.728 -7.827 1.00 0.00 N ATOM 705 CA THR A 49 1.296 -15.456 -8.078 1.00 0.00 C ATOM 706 C THR A 49 0.744 -16.062 -6.793 1.00 0.00 C ATOM 707 O THR A 49 -0.419 -15.852 -6.444 1.00 0.00 O ATOM 708 CB THR A 49 1.505 -16.578 -9.113 1.00 0.00 C ATOM 709 OG1 THR A 49 2.504 -17.493 -8.649 1.00 0.00 O ATOM 710 CG2 THR A 49 1.922 -16.003 -10.458 1.00 0.00 C ATOM 0 H THR A 49 3.247 -14.850 -8.545 1.00 0.00 H new ATOM 0 HA THR A 49 0.580 -14.736 -8.473 1.00 0.00 H new ATOM 0 HB THR A 49 0.560 -17.106 -9.239 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.630 -18.204 -9.312 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.064 -16.814 -11.172 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.146 -15.330 -10.822 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.856 -15.452 -10.345 1.00 0.00 H new ATOM 718 N THR A 50 1.584 -16.816 -6.090 1.00 0.00 N ATOM 719 CA THR A 50 1.179 -17.452 -4.844 1.00 0.00 C ATOM 720 C THR A 50 0.181 -16.587 -4.083 1.00 0.00 C ATOM 721 O THR A 50 -0.768 -17.095 -3.486 1.00 0.00 O ATOM 722 CB THR A 50 2.392 -17.734 -3.937 1.00 0.00 C ATOM 723 OG1 THR A 50 1.953 -18.260 -2.680 1.00 0.00 O ATOM 724 CG2 THR A 50 3.202 -16.467 -3.708 1.00 0.00 C ATOM 0 H THR A 50 2.549 -17.001 -6.363 1.00 0.00 H new ATOM 0 HA THR A 50 0.706 -18.397 -5.112 1.00 0.00 H new ATOM 0 HB THR A 50 3.027 -18.467 -4.434 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.730 -18.438 -2.110 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.053 -16.691 -3.065 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.560 -16.086 -4.665 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.574 -15.715 -3.230 1.00 0.00 H new ATOM 732 N CYS A 51 0.401 -15.277 -4.108 1.00 0.00 N ATOM 733 CA CYS A 51 -0.479 -14.340 -3.421 1.00 0.00 C ATOM 734 C CYS A 51 -1.608 -13.881 -4.340 1.00 0.00 C ATOM 735 O CYS A 51 -2.781 -13.912 -3.964 1.00 0.00 O ATOM 736 CB CYS A 51 0.316 -13.129 -2.928 1.00 0.00 C ATOM 737 SG CYS A 51 1.411 -13.483 -1.516 1.00 0.00 S ATOM 0 H CYS A 51 1.182 -14.840 -4.597 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.917 -14.852 -2.564 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.916 -12.742 -3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.382 -12.341 -2.644 1.00 0.00 H new ATOM 742 N LEU A 52 -1.247 -13.455 -5.545 1.00 0.00 N ATOM 743 CA LEU A 52 -2.229 -12.990 -6.518 1.00 0.00 C ATOM 744 C LEU A 52 -3.529 -13.779 -6.400 1.00 0.00 C ATOM 745 O LEU A 52 -4.613 -13.201 -6.320 1.00 0.00 O ATOM 746 CB LEU A 52 -1.670 -13.116 -7.937 1.00 0.00 C ATOM 747 CG LEU A 52 -2.654 -12.839 -9.073 1.00 0.00 C ATOM 748 CD1 LEU A 52 -2.705 -11.351 -9.384 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.273 -13.632 -10.315 1.00 0.00 C ATOM 0 H LEU A 52 -0.281 -13.422 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.442 -11.942 -6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.829 -12.430 -8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.276 -14.124 -8.062 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.646 -13.157 -8.753 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.411 -11.173 -10.195 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.026 -10.805 -8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.715 -11.008 -9.683 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.985 -13.422 -11.113 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.272 -13.345 -10.637 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.289 -14.697 -10.086 1.00 0.00 H new ATOM 761 N SER A 53 -3.413 -15.103 -6.387 1.00 0.00 N ATOM 762 CA SER A 53 -4.579 -15.972 -6.279 1.00 0.00 C ATOM 763 C SER A 53 -5.076 -16.039 -4.838 1.00 0.00 C ATOM 764 O SER A 53 -6.275 -15.940 -4.578 1.00 0.00 O ATOM 765 CB SER A 53 -4.242 -17.378 -6.781 1.00 0.00 C ATOM 766 OG SER A 53 -3.427 -18.069 -5.850 1.00 0.00 O ATOM 0 H SER A 53 -2.523 -15.597 -6.450 1.00 0.00 H new ATOM 0 HA SER A 53 -5.372 -15.553 -6.899 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.162 -17.938 -6.950 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.729 -17.312 -7.740 1.00 0.00 H new ATOM 0 HG SER A 53 -3.227 -18.965 -6.192 1.00 0.00 H new ATOM 772 N SER A 54 -4.144 -16.208 -3.905 1.00 0.00 N ATOM 773 CA SER A 54 -4.486 -16.293 -2.490 1.00 0.00 C ATOM 774 C SER A 54 -5.530 -15.243 -2.120 1.00 0.00 C ATOM 775 O SER A 54 -6.525 -15.546 -1.462 1.00 0.00 O ATOM 776 CB SER A 54 -3.235 -16.109 -1.630 1.00 0.00 C ATOM 777 OG SER A 54 -3.433 -16.624 -0.324 1.00 0.00 O ATOM 0 H SER A 54 -3.147 -16.289 -4.104 1.00 0.00 H new ATOM 0 HA SER A 54 -4.906 -17.281 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.390 -16.613 -2.099 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.982 -15.050 -1.572 1.00 0.00 H new ATOM 0 HG SER A 54 -2.618 -16.496 0.205 1.00 0.00 H new ATOM 783 N PHE A 55 -5.295 -14.007 -2.549 1.00 0.00 N ATOM 784 CA PHE A 55 -6.214 -12.912 -2.262 1.00 0.00 C ATOM 785 C PHE A 55 -7.657 -13.329 -2.528 1.00 0.00 C ATOM 786 O PHE A 55 -8.508 -13.258 -1.641 1.00 0.00 O ATOM 787 CB PHE A 55 -5.861 -11.687 -3.110 1.00 0.00 C ATOM 788 CG PHE A 55 -6.470 -10.412 -2.602 1.00 0.00 C ATOM 789 CD1 PHE A 55 -7.755 -10.047 -2.971 1.00 0.00 C ATOM 790 CD2 PHE A 55 -5.757 -9.577 -1.757 1.00 0.00 C ATOM 791 CE1 PHE A 55 -8.317 -8.874 -2.507 1.00 0.00 C ATOM 792 CE2 PHE A 55 -6.315 -8.402 -1.289 1.00 0.00 C ATOM 793 CZ PHE A 55 -7.597 -8.050 -1.663 1.00 0.00 C ATOM 0 H PHE A 55 -4.477 -13.739 -3.096 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.117 -12.656 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.777 -11.576 -3.140 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.193 -11.856 -4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.324 -10.687 -3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.754 -9.847 -1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.319 -8.601 -2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.749 -7.760 -0.631 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.036 -7.133 -1.297 1.00 0.00 H new ATOM 803 N SER A 56 -7.926 -13.762 -3.755 1.00 0.00 N ATOM 804 CA SER A 56 -9.267 -14.186 -4.140 1.00 0.00 C ATOM 805 C SER A 56 -9.894 -15.055 -3.054 1.00 0.00 C ATOM 806 O SER A 56 -10.912 -14.691 -2.464 1.00 0.00 O ATOM 807 CB SER A 56 -9.222 -14.956 -5.461 1.00 0.00 C ATOM 808 OG SER A 56 -8.648 -14.169 -6.491 1.00 0.00 O ATOM 0 H SER A 56 -7.233 -13.829 -4.500 1.00 0.00 H new ATOM 0 HA SER A 56 -9.881 -13.294 -4.268 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.643 -15.871 -5.333 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.231 -15.254 -5.746 1.00 0.00 H new ATOM 0 HG SER A 56 -8.629 -14.684 -7.324 1.00 0.00 H new ATOM 814 N SER A 57 -9.279 -16.205 -2.795 1.00 0.00 N ATOM 815 CA SER A 57 -9.779 -17.128 -1.783 1.00 0.00 C ATOM 816 C SER A 57 -9.806 -16.465 -0.409 1.00 0.00 C ATOM 817 O SER A 57 -8.786 -16.381 0.272 1.00 0.00 O ATOM 818 CB SER A 57 -8.910 -18.386 -1.737 1.00 0.00 C ATOM 819 OG SER A 57 -9.268 -19.291 -2.767 1.00 0.00 O ATOM 0 H SER A 57 -8.434 -16.519 -3.272 1.00 0.00 H new ATOM 0 HA SER A 57 -10.797 -17.407 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.860 -18.111 -1.839 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.019 -18.872 -0.767 1.00 0.00 H new ATOM 0 HG SER A 57 -8.697 -20.086 -2.717 1.00 0.00 H new ATOM 825 N GLY A 58 -10.984 -15.995 -0.009 1.00 0.00 N ATOM 826 CA GLY A 58 -11.124 -15.345 1.281 1.00 0.00 C ATOM 827 C GLY A 58 -10.243 -15.971 2.344 1.00 0.00 C ATOM 828 O GLY A 58 -10.104 -17.191 2.425 1.00 0.00 O ATOM 0 H GLY A 58 -11.843 -16.053 -0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.873 -14.289 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.165 -15.397 1.600 1.00 0.00 H new ATOM 832 N PRO A 59 -9.629 -15.124 3.182 1.00 0.00 N ATOM 833 CA PRO A 59 -8.745 -15.578 4.260 1.00 0.00 C ATOM 834 C PRO A 59 -9.507 -16.284 5.376 1.00 0.00 C ATOM 835 O PRO A 59 -10.336 -15.678 6.054 1.00 0.00 O ATOM 836 CB PRO A 59 -8.120 -14.280 4.777 1.00 0.00 C ATOM 837 CG PRO A 59 -9.107 -13.220 4.431 1.00 0.00 C ATOM 838 CD PRO A 59 -9.750 -13.656 3.143 1.00 0.00 C ATOM 0 HA PRO A 59 -8.016 -16.308 3.909 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.948 -14.325 5.852 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.155 -14.091 4.307 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.851 -13.107 5.220 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.617 -12.253 4.315 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.792 -13.340 3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.241 -13.234 2.277 1.00 0.00 H new ATOM 846 N SER A 60 -9.221 -17.569 5.561 1.00 0.00 N ATOM 847 CA SER A 60 -9.882 -18.358 6.593 1.00 0.00 C ATOM 848 C SER A 60 -9.387 -17.962 7.981 1.00 0.00 C ATOM 849 O SER A 60 -10.177 -17.613 8.858 1.00 0.00 O ATOM 850 CB SER A 60 -9.639 -19.850 6.359 1.00 0.00 C ATOM 851 OG SER A 60 -8.252 -20.142 6.330 1.00 0.00 O ATOM 0 H SER A 60 -8.536 -18.085 5.009 1.00 0.00 H new ATOM 0 HA SER A 60 -10.952 -18.159 6.537 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.119 -20.428 7.148 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.098 -20.153 5.418 1.00 0.00 H new ATOM 0 HG SER A 60 -8.123 -21.102 6.181 1.00 0.00 H new ATOM 857 N SER A 61 -8.073 -18.021 8.172 1.00 0.00 N ATOM 858 CA SER A 61 -7.471 -17.672 9.454 1.00 0.00 C ATOM 859 C SER A 61 -7.624 -16.181 9.739 1.00 0.00 C ATOM 860 O SER A 61 -7.893 -15.390 8.836 1.00 0.00 O ATOM 861 CB SER A 61 -5.990 -18.055 9.466 1.00 0.00 C ATOM 862 OG SER A 61 -5.827 -19.463 9.509 1.00 0.00 O ATOM 0 H SER A 61 -7.405 -18.307 7.456 1.00 0.00 H new ATOM 0 HA SER A 61 -7.990 -18.228 10.234 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.501 -17.656 8.577 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.501 -17.603 10.329 1.00 0.00 H new ATOM 0 HG SER A 61 -4.872 -19.682 9.514 1.00 0.00 H new ATOM 868 N GLY A 62 -7.452 -15.806 11.003 1.00 0.00 N ATOM 869 CA GLY A 62 -7.575 -14.412 11.386 1.00 0.00 C ATOM 870 C GLY A 62 -6.284 -13.848 11.946 1.00 0.00 C ATOM 871 O GLY A 62 -5.685 -14.475 12.818 1.00 0.00 O ATOM 0 H GLY A 62 -7.230 -16.443 11.768 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.878 -13.826 10.519 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.365 -14.311 12.130 1.00 0.00 H new TER 875 GLY A 62 HETATM 876 ZN ZN A 101 2.681 -11.539 -1.368 1.00 0.00 ZN