USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 426 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 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Single : A 3 SER OG : rot -25:sc= 0.19 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -19:sc= 0.84 USER MOD Single : A 17 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.3!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 42:sc= 1.19 USER MOD Single : A 54 THR OG1 : rot -56:sc= 0.312 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 7.643 14.015 -6.734 1.00 0.00 N ATOM 2 CA ALA A 2 8.663 13.062 -7.239 1.00 0.00 C ATOM 3 C ALA A 2 8.897 11.931 -6.243 1.00 0.00 C ATOM 4 O ALA A 2 9.000 12.163 -5.039 1.00 0.00 O ATOM 5 CB ALA A 2 9.967 13.790 -7.526 1.00 0.00 C ATOM 0 HA ALA A 2 8.290 12.625 -8.166 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.707 13.080 -7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.796 14.560 -8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.335 14.253 -6.610 1.00 0.00 H new ATOM 13 N SER A 3 8.983 10.707 -6.755 1.00 0.00 N ATOM 14 CA SER A 3 9.206 9.540 -5.909 1.00 0.00 C ATOM 15 C SER A 3 9.689 8.352 -6.737 1.00 0.00 C ATOM 16 O SER A 3 10.678 7.706 -6.392 1.00 0.00 O ATOM 17 CB SER A 3 7.922 9.171 -5.163 1.00 0.00 C ATOM 18 OG SER A 3 7.376 10.299 -4.502 1.00 0.00 O ATOM 0 H SER A 3 8.902 10.498 -7.750 1.00 0.00 H new ATOM 0 HA SER A 3 9.979 9.791 -5.183 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.192 8.768 -5.865 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.132 8.386 -4.437 1.00 0.00 H new ATOM 0 HG SER A 3 8.087 10.949 -4.322 1.00 0.00 H new ATOM 24 N THR A 4 8.988 8.074 -7.831 1.00 0.00 N ATOM 25 CA THR A 4 9.350 6.965 -8.709 1.00 0.00 C ATOM 26 C THR A 4 9.429 7.426 -10.161 1.00 0.00 C ATOM 27 O THR A 4 9.024 8.541 -10.492 1.00 0.00 O ATOM 28 CB THR A 4 8.336 5.827 -8.580 1.00 0.00 C ATOM 29 OG1 THR A 4 7.067 6.227 -9.066 1.00 0.00 O ATOM 30 CG2 THR A 4 8.152 5.347 -7.156 1.00 0.00 C ATOM 0 H THR A 4 8.167 8.600 -8.131 1.00 0.00 H new ATOM 0 HA THR A 4 10.332 6.602 -8.405 1.00 0.00 H new ATOM 0 HB THR A 4 8.745 5.008 -9.172 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.433 5.485 -8.976 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.420 4.540 -7.136 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.104 4.983 -6.769 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.800 6.172 -6.537 1.00 0.00 H new ATOM 38 N SER A 5 9.954 6.561 -11.023 1.00 0.00 N ATOM 39 CA SER A 5 10.086 6.880 -12.439 1.00 0.00 C ATOM 40 C SER A 5 9.651 5.702 -13.306 1.00 0.00 C ATOM 41 O SER A 5 10.166 4.593 -13.169 1.00 0.00 O ATOM 42 CB SER A 5 11.532 7.260 -12.765 1.00 0.00 C ATOM 43 OG SER A 5 11.725 8.661 -12.670 1.00 0.00 O ATOM 0 H SER A 5 10.294 5.635 -10.765 1.00 0.00 H new ATOM 0 HA SER A 5 9.436 7.728 -12.656 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.209 6.749 -12.080 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.782 6.923 -13.771 1.00 0.00 H new ATOM 0 HG SER A 5 12.657 8.878 -12.881 1.00 0.00 H new ATOM 49 N ARG A 6 8.699 5.953 -14.199 1.00 0.00 N ATOM 50 CA ARG A 6 8.193 4.914 -15.089 1.00 0.00 C ATOM 51 C ARG A 6 7.581 3.765 -14.293 1.00 0.00 C ATOM 52 O ARG A 6 8.249 2.773 -14.003 1.00 0.00 O ATOM 53 CB ARG A 6 9.318 4.388 -15.984 1.00 0.00 C ATOM 54 CG ARG A 6 9.546 5.228 -17.230 1.00 0.00 C ATOM 55 CD ARG A 6 10.833 4.833 -17.939 1.00 0.00 C ATOM 56 NE ARG A 6 11.497 5.982 -18.546 1.00 0.00 N ATOM 57 CZ ARG A 6 11.109 6.547 -19.687 1.00 0.00 C ATOM 58 NH1 ARG A 6 10.060 6.072 -20.347 1.00 0.00 N ATOM 59 NH2 ARG A 6 11.769 7.591 -20.168 1.00 0.00 N ATOM 0 H ARG A 6 8.263 6.866 -14.326 1.00 0.00 H new ATOM 0 HA ARG A 6 7.415 5.353 -15.714 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.242 4.350 -15.407 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.086 3.366 -16.282 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.703 5.108 -17.910 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.588 6.282 -16.957 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.508 4.358 -17.227 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.611 4.094 -18.709 1.00 0.00 H new ATOM 0 HE ARG A 6 12.307 6.376 -18.067 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.547 5.270 -19.980 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.767 6.509 -21.221 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.574 7.962 -19.664 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.471 8.024 -21.042 1.00 0.00 H new ATOM 73 N LEU A 7 6.307 3.908 -13.944 1.00 0.00 N ATOM 74 CA LEU A 7 5.604 2.883 -13.182 1.00 0.00 C ATOM 75 C LEU A 7 4.158 2.753 -13.653 1.00 0.00 C ATOM 76 O LEU A 7 3.618 3.658 -14.288 1.00 0.00 O ATOM 77 CB LEU A 7 5.641 3.213 -11.687 1.00 0.00 C ATOM 78 CG LEU A 7 6.754 2.519 -10.900 1.00 0.00 C ATOM 79 CD1 LEU A 7 8.027 3.349 -10.932 1.00 0.00 C ATOM 80 CD2 LEU A 7 6.314 2.271 -9.465 1.00 0.00 C ATOM 0 H LEU A 7 5.740 4.724 -14.177 1.00 0.00 H new ATOM 0 HA LEU A 7 6.108 1.931 -13.348 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.752 4.291 -11.571 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.682 2.942 -11.246 1.00 0.00 H new ATOM 0 HG LEU A 7 6.960 1.557 -11.369 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.808 2.840 -10.367 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.352 3.478 -11.965 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.836 4.326 -10.487 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.117 1.777 -8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.081 3.222 -8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.428 1.636 -9.461 1.00 0.00 H new ATOM 92 N ASP A 8 3.537 1.622 -13.336 1.00 0.00 N ATOM 93 CA ASP A 8 2.154 1.374 -13.726 1.00 0.00 C ATOM 94 C ASP A 8 1.200 1.698 -12.582 1.00 0.00 C ATOM 95 O ASP A 8 1.627 2.081 -11.492 1.00 0.00 O ATOM 96 CB ASP A 8 1.978 -0.084 -14.158 1.00 0.00 C ATOM 97 CG ASP A 8 1.143 -0.217 -15.416 1.00 0.00 C ATOM 98 OD1 ASP A 8 1.165 0.717 -16.244 1.00 0.00 O ATOM 99 OD2 ASP A 8 0.470 -1.257 -15.573 1.00 0.00 O ATOM 0 H ASP A 8 3.970 0.863 -12.810 1.00 0.00 H new ATOM 0 HA ASP A 8 1.917 2.025 -14.567 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.958 -0.531 -14.327 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.506 -0.645 -13.351 1.00 0.00 H new ATOM 104 N ALA A 9 -0.096 1.545 -12.836 1.00 0.00 N ATOM 105 CA ALA A 9 -1.110 1.822 -11.827 1.00 0.00 C ATOM 106 C ALA A 9 -2.171 0.728 -11.801 1.00 0.00 C ATOM 107 O ALA A 9 -3.354 1.002 -11.601 1.00 0.00 O ATOM 108 CB ALA A 9 -1.752 3.177 -12.083 1.00 0.00 C ATOM 0 H ALA A 9 -0.468 1.231 -13.732 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.622 1.842 -10.852 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.508 3.371 -11.322 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.989 3.954 -12.044 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.220 3.178 -13.067 1.00 0.00 H new ATOM 114 N LEU A 10 -1.741 -0.512 -12.006 1.00 0.00 N ATOM 115 CA LEU A 10 -2.655 -1.648 -12.007 1.00 0.00 C ATOM 116 C LEU A 10 -2.969 -2.095 -10.580 1.00 0.00 C ATOM 117 O LEU A 10 -2.173 -1.883 -9.665 1.00 0.00 O ATOM 118 CB LEU A 10 -2.055 -2.812 -12.799 1.00 0.00 C ATOM 119 CG LEU A 10 -0.824 -3.463 -12.163 1.00 0.00 C ATOM 120 CD1 LEU A 10 -0.792 -4.953 -12.472 1.00 0.00 C ATOM 121 CD2 LEU A 10 0.448 -2.789 -12.652 1.00 0.00 C ATOM 0 H LEU A 10 -0.765 -0.756 -12.174 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.584 -1.335 -12.483 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.822 -3.575 -12.932 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.785 -2.454 -13.793 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.886 -3.336 -11.082 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.089 -5.401 -12.013 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.689 -5.427 -12.074 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.753 -5.100 -13.551 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.313 -3.265 -12.189 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.517 -2.885 -13.736 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.427 -1.733 -12.382 1.00 0.00 H new ATOM 133 N PRO A 11 -4.140 -2.722 -10.371 1.00 0.00 N ATOM 134 CA PRO A 11 -4.555 -3.200 -9.047 1.00 0.00 C ATOM 135 C PRO A 11 -3.579 -4.218 -8.470 1.00 0.00 C ATOM 136 O PRO A 11 -3.617 -5.398 -8.818 1.00 0.00 O ATOM 137 CB PRO A 11 -5.920 -3.852 -9.303 1.00 0.00 C ATOM 138 CG PRO A 11 -5.962 -4.108 -10.770 1.00 0.00 C ATOM 139 CD PRO A 11 -5.147 -3.017 -11.402 1.00 0.00 C ATOM 0 HA PRO A 11 -4.590 -2.390 -8.318 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.026 -4.778 -8.738 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.734 -3.196 -8.994 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.551 -5.089 -11.007 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.987 -4.094 -11.140 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.687 -3.344 -12.334 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.754 -2.143 -11.636 1.00 0.00 H new ATOM 147 N ARG A 12 -2.703 -3.754 -7.583 1.00 0.00 N ATOM 148 CA ARG A 12 -1.716 -4.624 -6.955 1.00 0.00 C ATOM 149 C ARG A 12 -2.313 -5.344 -5.751 1.00 0.00 C ATOM 150 O ARG A 12 -2.072 -4.965 -4.605 1.00 0.00 O ATOM 151 CB ARG A 12 -0.491 -3.812 -6.523 1.00 0.00 C ATOM 152 CG ARG A 12 -0.039 -2.794 -7.558 1.00 0.00 C ATOM 153 CD ARG A 12 1.379 -2.313 -7.289 1.00 0.00 C ATOM 154 NE ARG A 12 2.291 -2.669 -8.373 1.00 0.00 N ATOM 155 CZ ARG A 12 3.465 -2.075 -8.579 1.00 0.00 C ATOM 156 NH1 ARG A 12 3.874 -1.100 -7.776 1.00 0.00 N ATOM 157 NH2 ARG A 12 4.234 -2.459 -9.588 1.00 0.00 N ATOM 0 H ARG A 12 -2.657 -2.780 -7.284 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.409 -5.371 -7.687 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.719 -3.294 -5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.332 -4.495 -6.314 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.091 -3.238 -8.552 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.720 -1.943 -7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.376 -1.231 -7.158 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.738 -2.746 -6.356 1.00 0.00 H new ATOM 0 HE ARG A 12 2.012 -3.416 -9.009 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.288 -0.802 -6.996 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.774 -0.649 -7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.927 -3.209 -10.207 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.133 -2.004 -9.746 1.00 0.00 H new ATOM 171 N VAL A 13 -3.094 -6.385 -6.019 1.00 0.00 N ATOM 172 CA VAL A 13 -3.726 -7.160 -4.958 1.00 0.00 C ATOM 173 C VAL A 13 -3.444 -8.649 -5.125 1.00 0.00 C ATOM 174 O VAL A 13 -3.182 -9.121 -6.231 1.00 0.00 O ATOM 175 CB VAL A 13 -5.250 -6.938 -4.931 1.00 0.00 C ATOM 176 CG1 VAL A 13 -5.865 -7.594 -3.704 1.00 0.00 C ATOM 177 CG2 VAL A 13 -5.573 -5.451 -4.967 1.00 0.00 C ATOM 0 H VAL A 13 -3.304 -6.711 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.300 -6.814 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.682 -7.403 -5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.942 -7.426 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.665 -8.665 -3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.429 -7.161 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.654 -5.313 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.129 -4.961 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.168 -5.013 -5.879 1.00 0.00 H new ATOM 187 N THR A 14 -3.501 -9.384 -4.018 1.00 0.00 N ATOM 188 CA THR A 14 -3.252 -10.823 -4.038 1.00 0.00 C ATOM 189 C THR A 14 -1.897 -11.136 -4.669 1.00 0.00 C ATOM 190 O THR A 14 -1.062 -10.248 -4.842 1.00 0.00 O ATOM 191 CB THR A 14 -4.366 -11.544 -4.802 1.00 0.00 C ATOM 192 OG1 THR A 14 -4.214 -11.366 -6.199 1.00 0.00 O ATOM 193 CG2 THR A 14 -5.753 -11.070 -4.426 1.00 0.00 C ATOM 0 H THR A 14 -3.717 -9.007 -3.095 1.00 0.00 H new ATOM 0 HA THR A 14 -3.240 -11.178 -3.007 1.00 0.00 H new ATOM 0 HB THR A 14 -4.272 -12.594 -4.526 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.639 -10.591 -6.369 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.495 -11.621 -5.004 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.920 -11.242 -3.363 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.844 -10.005 -4.640 1.00 0.00 H new ATOM 201 N CYS A 15 -1.688 -12.402 -5.009 1.00 0.00 N ATOM 202 CA CYS A 15 -0.436 -12.836 -5.618 1.00 0.00 C ATOM 203 C CYS A 15 -0.646 -13.201 -7.088 1.00 0.00 C ATOM 204 O CYS A 15 -1.616 -13.876 -7.433 1.00 0.00 O ATOM 205 CB CYS A 15 0.122 -14.039 -4.859 1.00 0.00 C ATOM 206 SG CYS A 15 1.722 -14.628 -5.460 1.00 0.00 S ATOM 0 H CYS A 15 -2.371 -13.148 -4.873 1.00 0.00 H new ATOM 0 HA CYS A 15 0.277 -12.013 -5.565 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.218 -13.775 -3.806 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.597 -14.856 -4.919 1.00 0.00 H new ATOM 211 N PRO A 16 0.262 -12.760 -7.978 1.00 0.00 N ATOM 212 CA PRO A 16 0.163 -13.050 -9.414 1.00 0.00 C ATOM 213 C PRO A 16 0.274 -14.542 -9.712 1.00 0.00 C ATOM 214 O PRO A 16 -0.269 -15.029 -10.703 1.00 0.00 O ATOM 215 CB PRO A 16 1.349 -12.292 -10.021 1.00 0.00 C ATOM 216 CG PRO A 16 2.300 -12.095 -8.892 1.00 0.00 C ATOM 217 CD PRO A 16 1.451 -11.950 -7.662 1.00 0.00 C ATOM 0 HA PRO A 16 -0.802 -12.748 -9.822 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.809 -12.861 -10.829 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.033 -11.337 -10.442 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.979 -12.943 -8.801 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.915 -11.209 -9.049 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.964 -12.317 -6.773 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.190 -10.909 -7.473 1.00 0.00 H new ATOM 225 N ASN A 17 0.981 -15.261 -8.848 1.00 0.00 N ATOM 226 CA ASN A 17 1.166 -16.699 -9.018 1.00 0.00 C ATOM 227 C ASN A 17 0.375 -17.492 -7.976 1.00 0.00 C ATOM 228 O ASN A 17 0.266 -18.714 -8.069 1.00 0.00 O ATOM 229 CB ASN A 17 2.650 -17.055 -8.926 1.00 0.00 C ATOM 230 CG ASN A 17 3.085 -18.013 -10.017 1.00 0.00 C ATOM 231 OD1 ASN A 17 2.257 -18.675 -10.642 1.00 0.00 O ATOM 232 ND2 ASN A 17 4.389 -18.091 -10.252 1.00 0.00 N ATOM 0 H ASN A 17 1.436 -14.872 -8.022 1.00 0.00 H new ATOM 0 HA ASN A 17 0.790 -16.968 -10.005 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.244 -16.143 -8.989 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.854 -17.501 -7.953 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.740 -18.719 -10.975 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.040 -17.523 -9.709 1.00 0.00 H new ATOM 239 N HIS A 18 -0.179 -16.793 -6.987 1.00 0.00 N ATOM 240 CA HIS A 18 -0.959 -17.442 -5.939 1.00 0.00 C ATOM 241 C HIS A 18 -2.293 -16.730 -5.734 1.00 0.00 C ATOM 242 O HIS A 18 -2.477 -16.008 -4.755 1.00 0.00 O ATOM 243 CB HIS A 18 -0.178 -17.463 -4.621 1.00 0.00 C ATOM 244 CG HIS A 18 1.041 -18.329 -4.650 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.280 -17.831 -4.317 1.00 0.00 N ATOM 246 CD2 HIS A 18 1.152 -19.643 -4.954 1.00 0.00 C ATOM 247 CE1 HIS A 18 3.110 -18.856 -4.422 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.473 -19.972 -4.806 1.00 0.00 N ATOM 0 H HIS A 18 -0.102 -15.780 -6.891 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.153 -18.467 -6.254 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.118 -16.445 -4.370 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.838 -17.808 -3.825 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.353 -20.304 -5.255 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.170 -18.801 -4.223 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.892 -20.889 -4.958 1.00 0.00 H new ATOM 256 N PRO A 19 -3.249 -16.928 -6.657 1.00 0.00 N ATOM 257 CA PRO A 19 -4.572 -16.302 -6.566 1.00 0.00 C ATOM 258 C PRO A 19 -5.319 -16.720 -5.304 1.00 0.00 C ATOM 259 O PRO A 19 -6.222 -16.020 -4.846 1.00 0.00 O ATOM 260 CB PRO A 19 -5.304 -16.806 -7.817 1.00 0.00 C ATOM 261 CG PRO A 19 -4.550 -18.019 -8.247 1.00 0.00 C ATOM 262 CD PRO A 19 -3.122 -17.777 -7.852 1.00 0.00 C ATOM 0 HA PRO A 19 -4.504 -15.215 -6.514 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.344 -17.046 -7.595 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.312 -16.049 -8.601 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.942 -18.914 -7.765 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.637 -18.172 -9.323 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.601 -18.709 -7.632 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.563 -17.278 -8.644 1.00 0.00 H new ATOM 270 N ASP A 20 -4.934 -17.863 -4.743 1.00 0.00 N ATOM 271 CA ASP A 20 -5.566 -18.369 -3.531 1.00 0.00 C ATOM 272 C ASP A 20 -4.686 -18.112 -2.310 1.00 0.00 C ATOM 273 O ASP A 20 -4.751 -18.842 -1.322 1.00 0.00 O ATOM 274 CB ASP A 20 -5.850 -19.867 -3.664 1.00 0.00 C ATOM 275 CG ASP A 20 -6.876 -20.166 -4.740 1.00 0.00 C ATOM 276 OD1 ASP A 20 -6.617 -19.838 -5.917 1.00 0.00 O ATOM 277 OD2 ASP A 20 -7.939 -20.731 -4.405 1.00 0.00 O ATOM 0 H ASP A 20 -4.188 -18.455 -5.109 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.509 -17.839 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.922 -20.391 -3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.206 -20.253 -2.709 1.00 0.00 H new ATOM 282 N ALA A 21 -3.866 -17.068 -2.387 1.00 0.00 N ATOM 283 CA ALA A 21 -2.975 -16.711 -1.289 1.00 0.00 C ATOM 284 C ALA A 21 -2.974 -15.206 -1.057 1.00 0.00 C ATOM 285 O ALA A 21 -2.300 -14.459 -1.767 1.00 0.00 O ATOM 286 CB ALA A 21 -1.565 -17.206 -1.569 1.00 0.00 C ATOM 0 H ALA A 21 -3.800 -16.454 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.341 -17.194 -0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.912 -16.932 -0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.575 -18.290 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.196 -16.751 -2.488 1.00 0.00 H new ATOM 292 N ILE A 22 -3.736 -14.766 -0.064 1.00 0.00 N ATOM 293 CA ILE A 22 -3.832 -13.355 0.261 1.00 0.00 C ATOM 294 C ILE A 22 -2.630 -12.885 1.073 1.00 0.00 C ATOM 295 O ILE A 22 -2.427 -13.319 2.207 1.00 0.00 O ATOM 296 CB ILE A 22 -5.116 -13.060 1.056 1.00 0.00 C ATOM 297 CG1 ILE A 22 -5.264 -14.042 2.222 1.00 0.00 C ATOM 298 CG2 ILE A 22 -6.332 -13.123 0.143 1.00 0.00 C ATOM 299 CD1 ILE A 22 -5.624 -13.375 3.531 1.00 0.00 C ATOM 0 H ILE A 22 -4.299 -15.373 0.532 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.855 -12.814 -0.685 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.045 -12.052 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.031 -14.775 1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.329 -14.589 2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.232 -12.912 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.229 -12.384 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.407 -14.118 -0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.712 -14.130 4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.845 -12.662 3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.574 -12.851 3.423 1.00 0.00 H new ATOM 311 N LEU A 23 -1.839 -11.986 0.491 1.00 0.00 N ATOM 312 CA LEU A 23 -0.665 -11.448 1.169 1.00 0.00 C ATOM 313 C LEU A 23 -1.071 -10.796 2.491 1.00 0.00 C ATOM 314 O LEU A 23 -2.227 -10.412 2.669 1.00 0.00 O ATOM 315 CB LEU A 23 0.037 -10.423 0.274 1.00 0.00 C ATOM 316 CG LEU A 23 0.877 -11.017 -0.859 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.077 -12.053 -1.635 1.00 0.00 C ATOM 318 CD2 LEU A 23 1.370 -9.920 -1.791 1.00 0.00 C ATOM 0 H LEU A 23 -1.991 -11.616 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 23 0.024 -12.267 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.717 -9.766 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.682 -9.802 0.896 1.00 0.00 H new ATOM 0 HG LEU A 23 1.743 -11.511 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.692 -12.463 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.227 -12.856 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.809 -11.583 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.965 -10.362 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.516 -9.397 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.982 -9.214 -1.230 1.00 0.00 H new ATOM 330 N VAL A 24 -0.124 -10.674 3.416 1.00 0.00 N ATOM 331 CA VAL A 24 -0.405 -10.070 4.716 1.00 0.00 C ATOM 332 C VAL A 24 0.424 -8.808 4.929 1.00 0.00 C ATOM 333 O VAL A 24 1.516 -8.671 4.383 1.00 0.00 O ATOM 334 CB VAL A 24 -0.126 -11.047 5.876 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.882 -10.620 7.124 1.00 0.00 C ATOM 336 CG2 VAL A 24 -0.494 -12.471 5.485 1.00 0.00 C ATOM 0 H VAL A 24 0.840 -10.983 3.292 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.465 -9.816 4.714 1.00 0.00 H new ATOM 0 HB VAL A 24 0.942 -11.022 6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.674 -11.320 7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.563 -9.620 7.418 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.952 -10.613 6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.288 -13.142 6.319 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.554 -12.517 5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.096 -12.775 4.621 1.00 0.00 H new ATOM 346 N GLU A 25 -0.102 -7.891 5.732 1.00 0.00 N ATOM 347 CA GLU A 25 0.591 -6.640 6.017 1.00 0.00 C ATOM 348 C GLU A 25 1.672 -6.844 7.074 1.00 0.00 C ATOM 349 O GLU A 25 1.387 -7.261 8.197 1.00 0.00 O ATOM 350 CB GLU A 25 -0.405 -5.578 6.488 1.00 0.00 C ATOM 351 CG GLU A 25 -1.004 -4.762 5.354 1.00 0.00 C ATOM 352 CD GLU A 25 -2.463 -4.418 5.590 1.00 0.00 C ATOM 353 OE1 GLU A 25 -3.278 -5.354 5.729 1.00 0.00 O ATOM 354 OE2 GLU A 25 -2.789 -3.213 5.635 1.00 0.00 O ATOM 0 H GLU A 25 -1.005 -7.990 6.197 1.00 0.00 H new ATOM 0 HA GLU A 25 1.068 -6.300 5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.210 -6.065 7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.096 -4.905 7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.433 -3.842 5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.912 -5.320 4.422 1.00 0.00 H new ATOM 361 N ASP A 26 2.915 -6.549 6.706 1.00 0.00 N ATOM 362 CA ASP A 26 4.040 -6.701 7.622 1.00 0.00 C ATOM 363 C ASP A 26 4.287 -5.414 8.401 1.00 0.00 C ATOM 364 O ASP A 26 3.568 -4.427 8.235 1.00 0.00 O ATOM 365 CB ASP A 26 5.301 -7.094 6.850 1.00 0.00 C ATOM 366 CG ASP A 26 5.515 -8.595 6.815 1.00 0.00 C ATOM 367 OD1 ASP A 26 4.545 -9.339 7.070 1.00 0.00 O ATOM 368 OD2 ASP A 26 6.653 -9.026 6.532 1.00 0.00 O ATOM 0 H ASP A 26 3.168 -6.204 5.780 1.00 0.00 H new ATOM 0 HA ASP A 26 3.794 -7.491 8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.231 -6.716 5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.167 -6.617 7.308 1.00 0.00 H new ATOM 373 N TYR A 27 5.307 -5.431 9.255 1.00 0.00 N ATOM 374 CA TYR A 27 5.649 -4.264 10.062 1.00 0.00 C ATOM 375 C TYR A 27 6.842 -3.522 9.470 1.00 0.00 C ATOM 376 O TYR A 27 7.700 -3.023 10.199 1.00 0.00 O ATOM 377 CB TYR A 27 5.958 -4.688 11.500 1.00 0.00 C ATOM 378 CG TYR A 27 5.650 -3.620 12.525 1.00 0.00 C ATOM 379 CD1 TYR A 27 4.429 -2.956 12.520 1.00 0.00 C ATOM 380 CD2 TYR A 27 6.580 -3.277 13.500 1.00 0.00 C ATOM 381 CE1 TYR A 27 4.144 -1.980 13.455 1.00 0.00 C ATOM 382 CE2 TYR A 27 6.301 -2.302 14.439 1.00 0.00 C ATOM 383 CZ TYR A 27 5.082 -1.657 14.412 1.00 0.00 C ATOM 384 OH TYR A 27 4.801 -0.685 15.346 1.00 0.00 O ATOM 0 H TYR A 27 5.910 -6.239 9.406 1.00 0.00 H new ATOM 0 HA TYR A 27 4.792 -3.590 10.064 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.384 -5.584 11.737 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.012 -4.956 11.572 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.691 -3.207 11.773 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.535 -3.780 13.524 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.191 -1.472 13.436 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.034 -2.046 15.190 1.00 0.00 H new ATOM 0 HH TYR A 27 5.567 -0.579 15.949 1.00 0.00 H new ATOM 394 N ARG A 28 6.888 -3.447 8.144 1.00 0.00 N ATOM 395 CA ARG A 28 7.969 -2.763 7.451 1.00 0.00 C ATOM 396 C ARG A 28 7.487 -2.214 6.116 1.00 0.00 C ATOM 397 O ARG A 28 7.331 -2.953 5.144 1.00 0.00 O ATOM 398 CB ARG A 28 9.149 -3.703 7.222 1.00 0.00 C ATOM 399 CG ARG A 28 9.920 -4.043 8.487 1.00 0.00 C ATOM 400 CD ARG A 28 10.781 -2.877 8.945 1.00 0.00 C ATOM 401 NE ARG A 28 12.038 -3.326 9.542 1.00 0.00 N ATOM 402 CZ ARG A 28 12.157 -3.737 10.802 1.00 0.00 C ATOM 403 NH1 ARG A 28 11.099 -3.762 11.603 1.00 0.00 N ATOM 404 NH2 ARG A 28 13.339 -4.126 11.263 1.00 0.00 N ATOM 0 H ARG A 28 6.185 -3.854 7.527 1.00 0.00 H new ATOM 0 HA ARG A 28 8.296 -1.935 8.080 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.784 -4.626 6.772 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.831 -3.246 6.504 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.221 -4.314 9.279 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.551 -4.914 8.307 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.994 -2.228 8.096 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.228 -2.281 9.670 1.00 0.00 H new ATOM 0 HE ARG A 28 12.874 -3.324 8.957 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.188 -3.465 11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.197 -4.078 12.568 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.155 -4.110 10.652 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.431 -4.441 12.229 1.00 0.00 H new ATOM 418 N ALA A 29 7.255 -0.913 6.081 1.00 0.00 N ATOM 419 CA ALA A 29 6.788 -0.245 4.872 1.00 0.00 C ATOM 420 C ALA A 29 5.438 -0.796 4.420 1.00 0.00 C ATOM 421 O ALA A 29 5.061 -0.658 3.256 1.00 0.00 O ATOM 422 CB ALA A 29 7.816 -0.388 3.760 1.00 0.00 C ATOM 0 H ALA A 29 7.383 -0.292 6.880 1.00 0.00 H new ATOM 0 HA ALA A 29 6.659 0.813 5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.454 0.115 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.757 0.063 4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.974 -1.445 3.544 1.00 0.00 H new ATOM 428 N GLY A 30 4.713 -1.420 5.346 1.00 0.00 N ATOM 429 CA GLY A 30 3.414 -1.980 5.020 1.00 0.00 C ATOM 430 C GLY A 30 3.458 -2.910 3.822 1.00 0.00 C ATOM 431 O GLY A 30 2.486 -3.015 3.075 1.00 0.00 O ATOM 0 H GLY A 30 5.003 -1.547 6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.031 -2.525 5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.714 -1.169 4.819 1.00 0.00 H new ATOM 435 N ASP A 31 4.588 -3.586 3.639 1.00 0.00 N ATOM 436 CA ASP A 31 4.751 -4.511 2.523 1.00 0.00 C ATOM 437 C ASP A 31 3.885 -5.751 2.717 1.00 0.00 C ATOM 438 O ASP A 31 3.727 -6.241 3.835 1.00 0.00 O ATOM 439 CB ASP A 31 6.219 -4.916 2.378 1.00 0.00 C ATOM 440 CG ASP A 31 6.994 -3.967 1.486 1.00 0.00 C ATOM 441 OD1 ASP A 31 6.869 -4.079 0.249 1.00 0.00 O ATOM 442 OD2 ASP A 31 7.727 -3.111 2.026 1.00 0.00 O ATOM 0 H ASP A 31 5.403 -3.511 4.248 1.00 0.00 H new ATOM 0 HA ASP A 31 4.431 -4.004 1.612 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.684 -4.946 3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.276 -5.924 1.968 1.00 0.00 H new ATOM 447 N MET A 32 3.324 -6.252 1.621 1.00 0.00 N ATOM 448 CA MET A 32 2.473 -7.434 1.673 1.00 0.00 C ATOM 449 C MET A 32 3.299 -8.709 1.517 1.00 0.00 C ATOM 450 O MET A 32 4.135 -8.811 0.620 1.00 0.00 O ATOM 451 CB MET A 32 1.401 -7.357 0.583 1.00 0.00 C ATOM 452 CG MET A 32 -0.006 -7.192 1.130 1.00 0.00 C ATOM 453 SD MET A 32 -1.256 -7.157 -0.169 1.00 0.00 S ATOM 454 CE MET A 32 -2.012 -5.562 0.134 1.00 0.00 C ATOM 0 H MET A 32 3.443 -5.858 0.688 1.00 0.00 H new ATOM 0 HA MET A 32 1.986 -7.464 2.648 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.626 -6.520 -0.079 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.443 -8.262 -0.022 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.223 -8.011 1.816 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.061 -6.269 1.707 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.808 -5.393 -0.591 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.429 -5.542 1.141 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.260 -4.779 0.037 1.00 0.00 H new ATOM 464 N ILE A 33 3.062 -9.676 2.399 1.00 0.00 N ATOM 465 CA ILE A 33 3.788 -10.941 2.363 1.00 0.00 C ATOM 466 C ILE A 33 2.872 -12.093 1.960 1.00 0.00 C ATOM 467 O ILE A 33 1.823 -12.301 2.567 1.00 0.00 O ATOM 468 CB ILE A 33 4.441 -11.250 3.729 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.367 -12.471 3.627 1.00 0.00 C ATOM 470 CG2 ILE A 33 3.376 -11.454 4.803 1.00 0.00 C ATOM 471 CD1 ILE A 33 4.643 -13.798 3.514 1.00 0.00 C ATOM 0 H ILE A 33 2.372 -9.607 3.148 1.00 0.00 H new ATOM 0 HA ILE A 33 4.573 -10.839 1.614 1.00 0.00 H new ATOM 0 HB ILE A 33 5.049 -10.393 4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.015 -12.349 2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.012 -12.497 4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.858 -11.670 5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.776 -10.549 4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.733 -12.289 4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.372 -14.606 3.447 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.017 -13.947 4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.019 -13.797 2.620 1.00 0.00 H new ATOM 483 N CYS A 34 3.269 -12.842 0.934 1.00 0.00 N ATOM 484 CA CYS A 34 2.468 -13.967 0.464 1.00 0.00 C ATOM 485 C CYS A 34 2.868 -15.264 1.168 1.00 0.00 C ATOM 486 O CYS A 34 3.976 -15.761 0.981 1.00 0.00 O ATOM 487 CB CYS A 34 2.624 -14.121 -1.047 1.00 0.00 C ATOM 488 SG CYS A 34 1.713 -15.508 -1.765 1.00 0.00 S ATOM 0 H CYS A 34 4.135 -12.691 0.416 1.00 0.00 H new ATOM 0 HA CYS A 34 1.424 -13.763 0.701 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.295 -13.200 -1.528 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.682 -14.241 -1.279 1.00 0.00 H new ATOM 493 N PRO A 35 1.969 -15.830 1.994 1.00 0.00 N ATOM 494 CA PRO A 35 2.244 -17.072 2.727 1.00 0.00 C ATOM 495 C PRO A 35 2.741 -18.198 1.823 1.00 0.00 C ATOM 496 O PRO A 35 3.380 -19.141 2.291 1.00 0.00 O ATOM 497 CB PRO A 35 0.885 -17.436 3.330 1.00 0.00 C ATOM 498 CG PRO A 35 0.165 -16.139 3.448 1.00 0.00 C ATOM 499 CD PRO A 35 0.620 -15.307 2.282 1.00 0.00 C ATOM 0 HA PRO A 35 3.036 -16.936 3.464 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.343 -18.134 2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.999 -17.916 4.302 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.914 -16.288 3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.398 -15.648 4.393 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.045 -15.418 1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.645 -14.246 2.531 1.00 0.00 H new ATOM 507 N GLU A 36 2.440 -18.105 0.531 1.00 0.00 N ATOM 508 CA GLU A 36 2.856 -19.130 -0.421 1.00 0.00 C ATOM 509 C GLU A 36 4.306 -18.926 -0.864 1.00 0.00 C ATOM 510 O GLU A 36 5.219 -19.539 -0.310 1.00 0.00 O ATOM 511 CB GLU A 36 1.924 -19.142 -1.632 1.00 0.00 C ATOM 512 CG GLU A 36 0.497 -19.542 -1.296 1.00 0.00 C ATOM 513 CD GLU A 36 0.396 -20.963 -0.779 1.00 0.00 C ATOM 514 OE1 GLU A 36 1.159 -21.827 -1.262 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.447 -21.213 0.108 1.00 0.00 O ATOM 0 H GLU A 36 1.912 -17.335 0.121 1.00 0.00 H new ATOM 0 HA GLU A 36 2.794 -20.096 0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.918 -18.151 -2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.320 -19.831 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.099 -18.858 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.125 -19.438 -2.185 1.00 0.00 H new ATOM 522 N CYS A 37 4.522 -18.067 -1.862 1.00 0.00 N ATOM 523 CA CYS A 37 5.873 -17.809 -2.356 1.00 0.00 C ATOM 524 C CYS A 37 6.702 -17.059 -1.321 1.00 0.00 C ATOM 525 O CYS A 37 7.933 -17.096 -1.355 1.00 0.00 O ATOM 526 CB CYS A 37 5.849 -17.005 -3.661 1.00 0.00 C ATOM 527 SG CYS A 37 4.914 -15.463 -3.584 1.00 0.00 S ATOM 0 H CYS A 37 3.787 -17.544 -2.339 1.00 0.00 H new ATOM 0 HA CYS A 37 6.330 -18.780 -2.548 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.875 -16.777 -3.950 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.428 -17.630 -4.448 1.00 0.00 H new ATOM 532 N GLY A 38 6.027 -16.365 -0.411 1.00 0.00 N ATOM 533 CA GLY A 38 6.731 -15.608 0.603 1.00 0.00 C ATOM 534 C GLY A 38 7.350 -14.351 0.031 1.00 0.00 C ATOM 535 O GLY A 38 8.559 -14.141 0.140 1.00 0.00 O ATOM 0 H GLY A 38 5.010 -16.314 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.041 -15.342 1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.510 -16.229 1.046 1.00 0.00 H new ATOM 539 N LEU A 39 6.521 -13.513 -0.584 1.00 0.00 N ATOM 540 CA LEU A 39 7.002 -12.273 -1.177 1.00 0.00 C ATOM 541 C LEU A 39 6.785 -11.110 -0.219 1.00 0.00 C ATOM 542 O LEU A 39 6.139 -11.269 0.813 1.00 0.00 O ATOM 543 CB LEU A 39 6.298 -12.010 -2.514 1.00 0.00 C ATOM 544 CG LEU A 39 4.936 -11.310 -2.420 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.040 -9.874 -2.908 1.00 0.00 C ATOM 546 CD2 LEU A 39 3.886 -12.068 -3.221 1.00 0.00 C ATOM 0 H LEU A 39 5.518 -13.670 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 39 8.071 -12.369 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.956 -11.404 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.162 -12.963 -3.026 1.00 0.00 H new ATOM 0 HG LEU A 39 4.629 -11.299 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.065 -9.393 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.759 -9.332 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.371 -9.866 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.927 -11.555 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.188 -12.112 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.790 -13.080 -2.828 1.00 0.00 H new ATOM 558 N VAL A 40 7.329 -9.948 -0.563 1.00 0.00 N ATOM 559 CA VAL A 40 7.189 -8.763 0.275 1.00 0.00 C ATOM 560 C VAL A 40 6.970 -7.517 -0.576 1.00 0.00 C ATOM 561 O VAL A 40 7.834 -6.642 -0.651 1.00 0.00 O ATOM 562 CB VAL A 40 8.431 -8.550 1.158 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.147 -7.520 2.240 1.00 0.00 C ATOM 564 CG2 VAL A 40 8.889 -9.866 1.770 1.00 0.00 C ATOM 0 H VAL A 40 7.870 -9.801 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 40 6.321 -8.926 0.914 1.00 0.00 H new ATOM 0 HB VAL A 40 9.237 -8.171 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.037 -7.383 2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.876 -6.571 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.324 -7.867 2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.768 -9.692 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.089 -10.280 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.139 -10.569 0.976 1.00 0.00 H new ATOM 574 N VAL A 41 5.811 -7.440 -1.217 1.00 0.00 N ATOM 575 CA VAL A 41 5.482 -6.300 -2.061 1.00 0.00 C ATOM 576 C VAL A 41 4.209 -5.617 -1.582 1.00 0.00 C ATOM 577 O VAL A 41 3.127 -6.200 -1.618 1.00 0.00 O ATOM 578 CB VAL A 41 5.309 -6.719 -3.534 1.00 0.00 C ATOM 579 CG1 VAL A 41 5.086 -5.499 -4.417 1.00 0.00 C ATOM 580 CG2 VAL A 41 6.517 -7.513 -4.010 1.00 0.00 C ATOM 0 H VAL A 41 5.084 -8.153 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 41 6.315 -5.601 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 41 4.429 -7.358 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.966 -5.817 -5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.188 -4.974 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.944 -4.832 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.376 -7.800 -5.052 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.414 -6.900 -3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.627 -8.409 -3.399 1.00 0.00 H new ATOM 590 N GLY A 42 4.347 -4.377 -1.128 1.00 0.00 N ATOM 591 CA GLY A 42 3.198 -3.634 -0.647 1.00 0.00 C ATOM 592 C GLY A 42 3.559 -2.233 -0.202 1.00 0.00 C ATOM 593 O GLY A 42 3.715 -1.974 0.991 1.00 0.00 O ATOM 0 H GLY A 42 5.233 -3.873 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.448 -3.579 -1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.745 -4.171 0.186 1.00 0.00 H new ATOM 597 N ASP A 43 3.692 -1.326 -1.163 1.00 0.00 N ATOM 598 CA ASP A 43 4.037 0.056 -0.860 1.00 0.00 C ATOM 599 C ASP A 43 2.779 0.897 -0.666 1.00 0.00 C ATOM 600 O ASP A 43 1.698 0.529 -1.126 1.00 0.00 O ATOM 601 CB ASP A 43 4.897 0.649 -1.978 1.00 0.00 C ATOM 602 CG ASP A 43 6.380 0.511 -1.702 1.00 0.00 C ATOM 603 OD1 ASP A 43 6.876 -0.635 -1.676 1.00 0.00 O ATOM 604 OD2 ASP A 43 7.047 1.550 -1.511 1.00 0.00 O ATOM 0 H ASP A 43 3.566 -1.523 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 43 4.608 0.068 0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.658 0.153 -2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.650 1.703 -2.102 1.00 0.00 H new ATOM 609 N ARG A 44 2.927 2.027 0.018 1.00 0.00 N ATOM 610 CA ARG A 44 1.800 2.918 0.272 1.00 0.00 C ATOM 611 C ARG A 44 1.692 3.983 -0.813 1.00 0.00 C ATOM 612 O ARG A 44 2.673 4.649 -1.146 1.00 0.00 O ATOM 613 CB ARG A 44 1.949 3.581 1.642 1.00 0.00 C ATOM 614 CG ARG A 44 1.530 2.686 2.798 1.00 0.00 C ATOM 615 CD ARG A 44 2.573 2.672 3.904 1.00 0.00 C ATOM 616 NE ARG A 44 2.315 3.696 4.913 1.00 0.00 N ATOM 617 CZ ARG A 44 1.249 3.700 5.711 1.00 0.00 C ATOM 618 NH1 ARG A 44 0.339 2.738 5.616 1.00 0.00 N ATOM 619 NH2 ARG A 44 1.093 4.666 6.604 1.00 0.00 N ATOM 0 H ARG A 44 3.814 2.347 0.406 1.00 0.00 H new ATOM 0 HA ARG A 44 0.887 2.322 0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.988 3.879 1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.351 4.492 1.663 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.578 3.032 3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.372 1.671 2.434 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.585 1.691 4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.561 2.830 3.472 1.00 0.00 H new ATOM 0 HE ARG A 44 2.991 4.453 5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.455 1.992 4.930 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.476 2.745 6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.790 5.407 6.681 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.276 4.669 7.215 1.00 0.00 H new ATOM 633 N VAL A 45 0.492 4.139 -1.363 1.00 0.00 N ATOM 634 CA VAL A 45 0.253 5.123 -2.411 1.00 0.00 C ATOM 635 C VAL A 45 -1.112 5.784 -2.242 1.00 0.00 C ATOM 636 O VAL A 45 -2.074 5.143 -1.819 1.00 0.00 O ATOM 637 CB VAL A 45 0.333 4.486 -3.809 1.00 0.00 C ATOM 638 CG1 VAL A 45 0.279 5.555 -4.890 1.00 0.00 C ATOM 639 CG2 VAL A 45 1.595 3.647 -3.941 1.00 0.00 C ATOM 0 H VAL A 45 -0.330 3.596 -1.100 1.00 0.00 H new ATOM 0 HA VAL A 45 1.034 5.878 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.528 3.830 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.337 5.084 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.656 6.108 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.118 6.240 -4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.635 3.204 -4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.470 4.279 -3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.586 2.855 -3.192 1.00 0.00 H new ATOM 649 N ILE A 46 -1.187 7.068 -2.575 1.00 0.00 N ATOM 650 CA ILE A 46 -2.434 7.815 -2.459 1.00 0.00 C ATOM 651 C ILE A 46 -3.197 7.822 -3.783 1.00 0.00 C ATOM 652 O ILE A 46 -3.599 8.876 -4.276 1.00 0.00 O ATOM 653 CB ILE A 46 -2.178 9.269 -2.008 1.00 0.00 C ATOM 654 CG1 ILE A 46 -3.503 9.995 -1.768 1.00 0.00 C ATOM 655 CG2 ILE A 46 -1.339 10.010 -3.041 1.00 0.00 C ATOM 656 CD1 ILE A 46 -3.453 10.980 -0.621 1.00 0.00 C ATOM 0 H ILE A 46 -0.400 7.613 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.037 7.313 -1.703 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.623 9.247 -1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.789 10.523 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.281 9.258 -1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.169 11.033 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.381 9.504 -3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.866 10.024 -3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.426 11.457 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.198 10.454 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.698 11.739 -0.826 1.00 0.00 H new ATOM 668 N ASP A 47 -3.393 6.637 -4.351 1.00 0.00 N ATOM 669 CA ASP A 47 -4.108 6.505 -5.615 1.00 0.00 C ATOM 670 C ASP A 47 -3.398 7.274 -6.725 1.00 0.00 C ATOM 671 O ASP A 47 -2.501 8.075 -6.463 1.00 0.00 O ATOM 672 CB ASP A 47 -5.546 7.006 -5.467 1.00 0.00 C ATOM 673 CG ASP A 47 -6.552 6.078 -6.116 1.00 0.00 C ATOM 674 OD1 ASP A 47 -6.490 4.858 -5.856 1.00 0.00 O ATOM 675 OD2 ASP A 47 -7.402 6.570 -6.888 1.00 0.00 O ATOM 0 H ASP A 47 -3.067 5.755 -3.956 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.126 5.449 -5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.784 7.112 -4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.630 7.997 -5.913 1.00 0.00 H new ATOM 680 N VAL A 48 -3.807 7.026 -7.965 1.00 0.00 N ATOM 681 CA VAL A 48 -3.211 7.695 -9.114 1.00 0.00 C ATOM 682 C VAL A 48 -4.181 8.702 -9.727 1.00 0.00 C ATOM 683 O VAL A 48 -5.374 8.431 -9.853 1.00 0.00 O ATOM 684 CB VAL A 48 -2.782 6.681 -10.194 1.00 0.00 C ATOM 685 CG1 VAL A 48 -3.989 5.925 -10.732 1.00 0.00 C ATOM 686 CG2 VAL A 48 -2.034 7.380 -11.320 1.00 0.00 C ATOM 0 H VAL A 48 -4.549 6.366 -8.199 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.328 8.222 -8.753 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.107 5.958 -9.736 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.664 5.215 -11.493 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.474 5.387 -9.917 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.694 6.631 -11.172 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.740 6.647 -12.071 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.681 8.129 -11.777 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.144 7.865 -10.919 1.00 0.00 H new ATOM 696 N GLY A 49 -3.658 9.865 -10.105 1.00 0.00 N ATOM 697 CA GLY A 49 -4.491 10.895 -10.698 1.00 0.00 C ATOM 698 C GLY A 49 -5.203 10.416 -11.949 1.00 0.00 C ATOM 699 O GLY A 49 -6.285 10.902 -12.280 1.00 0.00 O ATOM 0 H GLY A 49 -2.673 10.112 -10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.229 11.226 -9.968 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.875 11.760 -10.943 1.00 0.00 H new ATOM 703 N SER A 50 -4.596 9.461 -12.645 1.00 0.00 N ATOM 704 CA SER A 50 -5.179 8.916 -13.864 1.00 0.00 C ATOM 705 C SER A 50 -6.107 7.747 -13.548 1.00 0.00 C ATOM 706 O SER A 50 -5.655 6.621 -13.342 1.00 0.00 O ATOM 707 CB SER A 50 -4.078 8.461 -14.823 1.00 0.00 C ATOM 708 OG SER A 50 -3.358 7.363 -14.291 1.00 0.00 O ATOM 0 H SER A 50 -3.700 9.049 -12.385 1.00 0.00 H new ATOM 0 HA SER A 50 -5.763 9.704 -14.340 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.518 8.181 -15.780 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.395 9.288 -15.016 1.00 0.00 H new ATOM 0 HG SER A 50 -3.983 6.731 -13.878 1.00 0.00 H new ATOM 714 N GLU A 51 -7.407 8.023 -13.511 1.00 0.00 N ATOM 715 CA GLU A 51 -8.399 6.994 -13.220 1.00 0.00 C ATOM 716 C GLU A 51 -9.198 6.641 -14.471 1.00 0.00 C ATOM 717 O GLU A 51 -9.630 5.501 -14.642 1.00 0.00 O ATOM 718 CB GLU A 51 -9.342 7.465 -12.109 1.00 0.00 C ATOM 719 CG GLU A 51 -9.344 6.556 -10.890 1.00 0.00 C ATOM 720 CD GLU A 51 -10.558 5.649 -10.841 1.00 0.00 C ATOM 721 OE1 GLU A 51 -11.636 6.121 -10.421 1.00 0.00 O ATOM 722 OE2 GLU A 51 -10.431 4.467 -11.223 1.00 0.00 O ATOM 0 H GLU A 51 -7.798 8.950 -13.679 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.874 6.100 -12.884 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.055 8.471 -11.802 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.355 7.530 -12.506 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.440 5.947 -10.894 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.314 7.165 -9.987 1.00 0.00 H new ATOM 729 N TRP A 52 -9.390 7.626 -15.342 1.00 0.00 N ATOM 730 CA TRP A 52 -10.136 7.419 -16.579 1.00 0.00 C ATOM 731 C TRP A 52 -9.303 7.820 -17.791 1.00 0.00 C ATOM 732 O TRP A 52 -9.840 8.260 -18.808 1.00 0.00 O ATOM 733 CB TRP A 52 -11.440 8.219 -16.552 1.00 0.00 C ATOM 734 CG TRP A 52 -11.229 9.702 -16.523 1.00 0.00 C ATOM 735 CD1 TRP A 52 -11.383 10.572 -17.564 1.00 0.00 C ATOM 736 CD2 TRP A 52 -10.823 10.490 -15.398 1.00 0.00 C ATOM 737 NE1 TRP A 52 -11.098 11.853 -17.156 1.00 0.00 N ATOM 738 CE2 TRP A 52 -10.752 11.828 -15.830 1.00 0.00 C ATOM 739 CE3 TRP A 52 -10.515 10.195 -14.067 1.00 0.00 C ATOM 740 CZ2 TRP A 52 -10.386 12.867 -14.978 1.00 0.00 C ATOM 741 CZ3 TRP A 52 -10.151 11.227 -13.223 1.00 0.00 C ATOM 742 CH2 TRP A 52 -10.089 12.549 -13.681 1.00 0.00 C ATOM 0 H TRP A 52 -9.040 8.575 -15.215 1.00 0.00 H new ATOM 0 HA TRP A 52 -10.371 6.358 -16.659 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -12.034 7.961 -17.429 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -12.020 7.925 -15.677 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -11.685 10.294 -18.563 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -11.137 12.686 -17.744 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -10.561 9.179 -13.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -10.338 13.887 -15.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -9.910 11.010 -12.193 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.801 13.333 -12.997 1.00 0.00 H new ATOM 753 N ARG A 53 -7.988 7.666 -17.677 1.00 0.00 N ATOM 754 CA ARG A 53 -7.080 8.014 -18.764 1.00 0.00 C ATOM 755 C ARG A 53 -6.082 6.889 -19.021 1.00 0.00 C ATOM 756 O ARG A 53 -5.234 6.593 -18.179 1.00 0.00 O ATOM 757 CB ARG A 53 -6.333 9.309 -18.439 1.00 0.00 C ATOM 758 CG ARG A 53 -6.115 10.206 -19.647 1.00 0.00 C ATOM 759 CD ARG A 53 -4.800 9.894 -20.345 1.00 0.00 C ATOM 760 NE ARG A 53 -5.008 9.280 -21.654 1.00 0.00 N ATOM 761 CZ ARG A 53 -5.474 9.937 -22.715 1.00 0.00 C ATOM 762 NH1 ARG A 53 -5.782 11.225 -22.623 1.00 0.00 N ATOM 763 NH2 ARG A 53 -5.633 9.304 -23.868 1.00 0.00 N ATOM 0 H ARG A 53 -7.527 7.302 -16.843 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.674 8.162 -19.666 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.892 9.861 -17.683 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.366 9.061 -18.002 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.939 10.079 -20.349 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.122 11.250 -19.332 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.225 10.813 -20.463 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.208 9.225 -19.721 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.783 8.291 -21.762 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.662 11.716 -21.737 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.138 11.724 -23.438 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.399 8.314 -23.943 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.990 9.807 -24.681 1.00 0.00 H new ATOM 777 N THR A 54 -6.191 6.264 -20.189 1.00 0.00 N ATOM 778 CA THR A 54 -5.299 5.172 -20.558 1.00 0.00 C ATOM 779 C THR A 54 -5.540 4.736 -21.999 1.00 0.00 C ATOM 780 O THR A 54 -5.888 3.584 -22.262 1.00 0.00 O ATOM 781 CB THR A 54 -5.493 3.986 -19.611 1.00 0.00 C ATOM 782 OG1 THR A 54 -4.595 2.938 -19.928 1.00 0.00 O ATOM 783 CG2 THR A 54 -6.895 3.415 -19.647 1.00 0.00 C ATOM 0 H THR A 54 -6.889 6.496 -20.896 1.00 0.00 H new ATOM 0 HA THR A 54 -4.272 5.529 -20.474 1.00 0.00 H new ATOM 0 HB THR A 54 -5.303 4.380 -18.613 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.715 2.677 -20.865 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.965 2.577 -18.953 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.609 4.186 -19.358 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.122 3.070 -20.656 1.00 0.00 H new ATOM 791 N PHE A 55 -5.353 5.665 -22.930 1.00 0.00 N ATOM 792 CA PHE A 55 -5.551 5.379 -24.347 1.00 0.00 C ATOM 793 C PHE A 55 -6.987 4.940 -24.618 1.00 0.00 C ATOM 794 O PHE A 55 -7.255 3.759 -24.838 1.00 0.00 O ATOM 795 CB PHE A 55 -4.575 4.295 -24.811 1.00 0.00 C ATOM 796 CG PHE A 55 -3.326 4.842 -25.441 1.00 0.00 C ATOM 797 CD1 PHE A 55 -3.380 5.503 -26.658 1.00 0.00 C ATOM 798 CD2 PHE A 55 -2.097 4.696 -24.816 1.00 0.00 C ATOM 799 CE1 PHE A 55 -2.232 6.007 -27.240 1.00 0.00 C ATOM 800 CE2 PHE A 55 -0.947 5.198 -25.393 1.00 0.00 C ATOM 801 CZ PHE A 55 -1.014 5.855 -26.606 1.00 0.00 C ATOM 0 H PHE A 55 -5.065 6.623 -22.729 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.359 6.294 -24.908 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.300 3.675 -23.957 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.079 3.646 -25.527 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.330 5.626 -27.157 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.038 4.184 -23.867 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.287 6.519 -28.189 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.004 5.077 -24.896 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.116 6.249 -27.058 1.00 0.00 H new ATOM 811 N SER A 56 -7.906 5.899 -24.599 1.00 0.00 N ATOM 812 CA SER A 56 -9.315 5.614 -24.843 1.00 0.00 C ATOM 813 C SER A 56 -9.783 6.252 -26.146 1.00 0.00 C ATOM 814 O SER A 56 -9.391 7.372 -26.476 1.00 0.00 O ATOM 815 CB SER A 56 -10.168 6.121 -23.678 1.00 0.00 C ATOM 816 OG SER A 56 -9.948 5.350 -22.510 1.00 0.00 O ATOM 0 H SER A 56 -7.700 6.881 -24.417 1.00 0.00 H new ATOM 0 HA SER A 56 -9.432 4.534 -24.927 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.931 7.166 -23.478 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.223 6.080 -23.951 1.00 0.00 H new ATOM 0 HG SER A 56 -10.504 5.696 -21.780 1.00 0.00 H new ATOM 822 N ASN A 57 -10.623 5.533 -26.883 1.00 0.00 N ATOM 823 CA ASN A 57 -11.144 6.029 -28.152 1.00 0.00 C ATOM 824 C ASN A 57 -12.547 6.602 -27.976 1.00 0.00 C ATOM 825 O ASN A 57 -12.887 7.630 -28.562 1.00 0.00 O ATOM 826 CB ASN A 57 -11.160 4.908 -29.194 1.00 0.00 C ATOM 827 CG ASN A 57 -10.004 5.009 -30.168 1.00 0.00 C ATOM 828 OD1 ASN A 57 -9.954 5.914 -30.999 1.00 0.00 O ATOM 829 ND2 ASN A 57 -9.065 4.074 -30.070 1.00 0.00 N ATOM 0 H ASN A 57 -10.958 4.605 -26.624 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.488 6.827 -28.501 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.121 3.944 -28.687 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.100 4.941 -29.745 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.262 4.089 -30.699 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.147 3.341 -29.365 1.00 0.00 H new ATOM 836 N ASP A 58 -13.357 5.929 -27.166 1.00 0.00 N ATOM 837 CA ASP A 58 -14.725 6.370 -26.914 1.00 0.00 C ATOM 838 C ASP A 58 -14.813 7.144 -25.602 1.00 0.00 C ATOM 839 O ASP A 58 -14.364 6.670 -24.558 1.00 0.00 O ATOM 840 CB ASP A 58 -15.672 5.169 -26.880 1.00 0.00 C ATOM 841 CG ASP A 58 -16.891 5.369 -27.760 1.00 0.00 C ATOM 842 OD1 ASP A 58 -16.808 5.062 -28.968 1.00 0.00 O ATOM 843 OD2 ASP A 58 -17.928 5.833 -27.241 1.00 0.00 O ATOM 0 H ASP A 58 -13.091 5.077 -26.673 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.023 7.034 -27.726 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.135 4.277 -27.204 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.993 4.992 -25.854 1.00 0.00 H new ATOM 848 N LYS A 59 -15.394 8.337 -25.663 1.00 0.00 N ATOM 849 CA LYS A 59 -15.542 9.178 -24.479 1.00 0.00 C ATOM 850 C LYS A 59 -14.182 9.522 -23.882 1.00 0.00 C ATOM 851 O LYS A 59 -13.304 10.047 -24.570 1.00 0.00 O ATOM 852 CB LYS A 59 -16.408 8.473 -23.433 1.00 0.00 C ATOM 853 CG LYS A 59 -17.899 8.683 -23.638 1.00 0.00 C ATOM 854 CD LYS A 59 -18.700 7.472 -23.183 1.00 0.00 C ATOM 855 CE LYS A 59 -19.845 7.172 -24.137 1.00 0.00 C ATOM 856 NZ LYS A 59 -21.088 7.899 -23.758 1.00 0.00 N ATOM 857 OXT LYS A 59 -13.921 9.231 -22.507 1.00 0.00 O ATOM 0 H LYS A 59 -15.770 8.744 -26.519 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.030 10.105 -24.781 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.193 7.405 -23.456 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -16.131 8.833 -22.442 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.223 9.564 -23.084 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.099 8.878 -24.692 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -18.044 6.604 -23.116 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.095 7.650 -22.183 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -19.556 7.451 -25.150 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.040 6.100 -24.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.845 7.668 -24.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -21.379 7.614 -22.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -20.910 8.923 -23.775 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.668 -15.920 -3.807 1.00 0.00 ZN