USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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 14 SER OG : rot 180:sc= 0.754 USER MOD Set 1.2: A 113 ASN : amide:sc= 1.17 K(o=1.9,f=1.1) USER MOD Single : A 1 ALA N :NH3+ 135:sc= 0.0383 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 68:sc= 0.94 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 121:sc= -0.571 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 17 THR OG1 : rot 118:sc= 1.29 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.7) USER MOD Single : A 30 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.326 USER MOD Single : A 36 GLN : amide:sc= 1.39 K(o=1.4,f=-5.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.04! C(o=-1!,f=-8.6!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0508 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 1.11 K(o=1.1,f=-0.15) USER MOD Single : A 62 SER OG : rot 37:sc= 0.961 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -139:sc= 0.00263 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -91:sc= 1.15 USER MOD Single : A 81 THR OG1 : rot 116:sc= 0.368 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 118:sc= 0.998 USER MOD Single : A 90 THR OG1 : rot -47:sc= 0.451 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.00071) USER MOD Single : A 98 SER OG : rot 180:sc= -0.186 USER MOD Single : A 103 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.5!) USER MOD Single : A 111 SER OG : rot 180:sc= -0.077 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.037 5.384 15.616 1.00 0.00 N ATOM 2 CA ALA A 1 -16.626 4.215 14.921 1.00 0.00 C ATOM 3 C ALA A 1 -15.575 3.129 14.726 1.00 0.00 C ATOM 4 O ALA A 1 -14.402 3.429 14.519 1.00 0.00 O ATOM 5 CB ALA A 1 -17.207 4.636 13.577 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.339 6.259 15.141 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.359 5.398 16.605 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.000 5.317 15.590 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.430 3.813 15.538 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.636 3.767 13.078 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.984 5.384 13.735 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.417 5.058 12.955 1.00 0.00 H new ATOM 11 N ALA A 2 -15.992 1.874 14.803 1.00 0.00 N ATOM 12 CA ALA A 2 -15.079 0.756 14.624 1.00 0.00 C ATOM 13 C ALA A 2 -15.096 0.280 13.176 1.00 0.00 C ATOM 14 O ALA A 2 -16.090 -0.283 12.711 1.00 0.00 O ATOM 15 CB ALA A 2 -15.446 -0.379 15.562 1.00 0.00 C ATOM 0 H ALA A 2 -16.958 1.605 14.989 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.069 1.090 14.863 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.754 -1.209 15.417 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.386 -0.032 16.594 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.462 -0.712 15.350 1.00 0.00 H new ATOM 21 N PRO A 3 -14.002 0.518 12.441 1.00 0.00 N ATOM 22 CA PRO A 3 -13.888 0.111 11.044 1.00 0.00 C ATOM 23 C PRO A 3 -13.461 -1.349 10.902 1.00 0.00 C ATOM 24 O PRO A 3 -13.016 -1.976 11.870 1.00 0.00 O ATOM 25 CB PRO A 3 -12.806 1.046 10.510 1.00 0.00 C ATOM 26 CG PRO A 3 -11.917 1.294 11.679 1.00 0.00 C ATOM 27 CD PRO A 3 -12.785 1.211 12.912 1.00 0.00 C ATOM 0 HA PRO A 3 -14.835 0.178 10.509 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.259 0.590 9.685 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.235 1.975 10.133 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.116 0.556 11.719 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.444 2.273 11.604 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.293 0.656 13.711 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.016 2.201 13.306 1.00 0.00 H new ATOM 35 N THR A 4 -13.590 -1.880 9.696 1.00 0.00 N ATOM 36 CA THR A 4 -13.223 -3.257 9.425 1.00 0.00 C ATOM 37 C THR A 4 -12.255 -3.340 8.247 1.00 0.00 C ATOM 38 O THR A 4 -12.660 -3.299 7.083 1.00 0.00 O ATOM 39 CB THR A 4 -14.470 -4.108 9.131 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.545 -3.700 9.993 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.180 -5.589 9.338 1.00 0.00 C ATOM 0 H THR A 4 -13.948 -1.373 8.887 1.00 0.00 H new ATOM 0 HA THR A 4 -12.730 -3.649 10.315 1.00 0.00 H new ATOM 0 HB THR A 4 -14.754 -3.956 8.090 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.340 -4.242 9.804 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.078 -6.169 9.124 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.379 -5.900 8.668 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.876 -5.759 10.371 1.00 0.00 H new ATOM 49 N ALA A 5 -10.973 -3.426 8.557 1.00 0.00 N ATOM 50 CA ALA A 5 -9.944 -3.518 7.534 1.00 0.00 C ATOM 51 C ALA A 5 -9.677 -4.973 7.168 1.00 0.00 C ATOM 52 O ALA A 5 -8.878 -5.655 7.810 1.00 0.00 O ATOM 53 CB ALA A 5 -8.671 -2.832 7.998 1.00 0.00 C ATOM 0 H ALA A 5 -10.618 -3.434 9.513 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.300 -3.006 6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.911 -2.910 7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.877 -1.781 8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.310 -3.312 8.908 1.00 0.00 H new ATOM 59 N THR A 6 -10.366 -5.444 6.147 1.00 0.00 N ATOM 60 CA THR A 6 -10.216 -6.813 5.685 1.00 0.00 C ATOM 61 C THR A 6 -9.093 -6.913 4.655 1.00 0.00 C ATOM 62 O THR A 6 -9.287 -6.603 3.479 1.00 0.00 O ATOM 63 CB THR A 6 -11.531 -7.322 5.066 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.526 -6.291 5.132 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.035 -8.560 5.792 1.00 0.00 C ATOM 0 H THR A 6 -11.042 -4.894 5.616 1.00 0.00 H new ATOM 0 HA THR A 6 -9.964 -7.433 6.545 1.00 0.00 H new ATOM 0 HB THR A 6 -11.339 -7.587 4.026 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.275 -5.555 4.536 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.965 -8.897 5.334 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.288 -9.351 5.723 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.214 -8.320 6.840 1.00 0.00 H new ATOM 73 N VAL A 7 -7.912 -7.315 5.103 1.00 0.00 N ATOM 74 CA VAL A 7 -6.773 -7.444 4.209 1.00 0.00 C ATOM 75 C VAL A 7 -6.271 -8.882 4.163 1.00 0.00 C ATOM 76 O VAL A 7 -6.277 -9.587 5.174 1.00 0.00 O ATOM 77 CB VAL A 7 -5.607 -6.512 4.618 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.035 -5.053 4.556 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.092 -6.851 6.013 1.00 0.00 C ATOM 0 H VAL A 7 -7.719 -7.556 6.075 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.122 -7.149 3.219 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.795 -6.668 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.200 -4.416 4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.342 -4.807 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.871 -4.890 5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.273 -6.179 6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.899 -6.736 6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.735 -7.881 6.029 1.00 0.00 H new ATOM 89 N THR A 8 -5.857 -9.313 2.981 1.00 0.00 N ATOM 90 CA THR A 8 -5.332 -10.656 2.792 1.00 0.00 C ATOM 91 C THR A 8 -3.872 -10.589 2.343 1.00 0.00 C ATOM 92 O THR A 8 -3.588 -10.447 1.152 1.00 0.00 O ATOM 93 CB THR A 8 -6.164 -11.441 1.760 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.543 -11.063 1.858 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.033 -12.941 1.990 1.00 0.00 C ATOM 0 H THR A 8 -5.875 -8.747 2.133 1.00 0.00 H new ATOM 0 HA THR A 8 -5.394 -11.180 3.746 1.00 0.00 H new ATOM 0 HB THR A 8 -5.788 -11.204 0.765 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.067 -11.564 1.199 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.629 -13.476 1.250 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.987 -13.234 1.895 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.389 -13.188 2.990 1.00 0.00 H new ATOM 103 N PRO A 9 -2.931 -10.670 3.302 1.00 0.00 N ATOM 104 CA PRO A 9 -1.494 -10.601 3.017 1.00 0.00 C ATOM 105 C PRO A 9 -0.965 -11.842 2.302 1.00 0.00 C ATOM 106 O PRO A 9 -1.542 -12.929 2.400 1.00 0.00 O ATOM 107 CB PRO A 9 -0.859 -10.477 4.403 1.00 0.00 C ATOM 108 CG PRO A 9 -1.838 -11.102 5.331 1.00 0.00 C ATOM 109 CD PRO A 9 -3.199 -10.839 4.745 1.00 0.00 C ATOM 0 HA PRO A 9 -1.262 -9.774 2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.104 -10.986 4.443 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.679 -9.434 4.663 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.655 -12.172 5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.755 -10.674 6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.882 -11.668 4.931 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.655 -9.947 5.175 1.00 0.00 H new ATOM 117 N SER A 10 0.140 -11.671 1.589 1.00 0.00 N ATOM 118 CA SER A 10 0.760 -12.760 0.850 1.00 0.00 C ATOM 119 C SER A 10 1.928 -13.368 1.627 1.00 0.00 C ATOM 120 O SER A 10 2.881 -13.870 1.029 1.00 0.00 O ATOM 121 CB SER A 10 1.239 -12.237 -0.503 1.00 0.00 C ATOM 122 OG SER A 10 1.454 -10.838 -0.448 1.00 0.00 O ATOM 0 H SER A 10 0.628 -10.779 1.507 1.00 0.00 H new ATOM 0 HA SER A 10 0.021 -13.547 0.702 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.162 -12.742 -0.788 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.500 -12.467 -1.270 1.00 0.00 H new ATOM 0 HG SER A 10 2.387 -10.641 -0.673 1.00 0.00 H new ATOM 128 N SER A 11 1.849 -13.331 2.952 1.00 0.00 N ATOM 129 CA SER A 11 2.899 -13.878 3.799 1.00 0.00 C ATOM 130 C SER A 11 3.045 -15.383 3.574 1.00 0.00 C ATOM 131 O SER A 11 2.187 -16.173 3.973 1.00 0.00 O ATOM 132 CB SER A 11 2.585 -13.579 5.264 1.00 0.00 C ATOM 133 OG SER A 11 2.129 -12.244 5.403 1.00 0.00 O ATOM 0 H SER A 11 1.065 -12.926 3.463 1.00 0.00 H new ATOM 0 HA SER A 11 3.847 -13.407 3.537 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.826 -14.270 5.629 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.476 -13.732 5.873 1.00 0.00 H new ATOM 0 HG SER A 11 1.929 -12.063 6.345 1.00 0.00 H new ATOM 139 N GLY A 12 4.128 -15.765 2.915 1.00 0.00 N ATOM 140 CA GLY A 12 4.370 -17.163 2.626 1.00 0.00 C ATOM 141 C GLY A 12 4.350 -17.434 1.138 1.00 0.00 C ATOM 142 O GLY A 12 4.761 -18.501 0.680 1.00 0.00 O ATOM 0 H GLY A 12 4.848 -15.128 2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.335 -17.459 3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.613 -17.774 3.118 1.00 0.00 H new ATOM 146 N LEU A 13 3.887 -16.454 0.380 1.00 0.00 N ATOM 147 CA LEU A 13 3.804 -16.573 -1.066 1.00 0.00 C ATOM 148 C LEU A 13 4.940 -15.804 -1.724 1.00 0.00 C ATOM 149 O LEU A 13 5.491 -14.877 -1.132 1.00 0.00 O ATOM 150 CB LEU A 13 2.453 -16.055 -1.564 1.00 0.00 C ATOM 151 CG LEU A 13 1.236 -16.753 -0.956 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.030 -15.951 -1.218 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.102 -18.165 -1.514 1.00 0.00 C ATOM 0 H LEU A 13 3.560 -15.560 0.746 1.00 0.00 H new ATOM 0 HA LEU A 13 3.894 -17.625 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.387 -14.988 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.414 -16.166 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 13 1.379 -16.819 0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.884 -16.465 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.068 -14.961 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.182 -15.851 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.231 -18.650 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.981 -18.119 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.997 -18.738 -1.273 1.00 0.00 H new ATOM 165 N SER A 14 5.297 -16.209 -2.932 1.00 0.00 N ATOM 166 CA SER A 14 6.375 -15.566 -3.674 1.00 0.00 C ATOM 167 C SER A 14 5.915 -14.231 -4.260 1.00 0.00 C ATOM 168 O SER A 14 4.737 -13.876 -4.169 1.00 0.00 O ATOM 169 CB SER A 14 6.859 -16.498 -4.787 1.00 0.00 C ATOM 170 OG SER A 14 6.872 -17.850 -4.352 1.00 0.00 O ATOM 0 H SER A 14 4.854 -16.985 -3.424 1.00 0.00 H new ATOM 0 HA SER A 14 7.199 -15.365 -2.989 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.210 -16.399 -5.657 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.860 -16.204 -5.102 1.00 0.00 H new ATOM 0 HG SER A 14 7.184 -18.425 -5.082 1.00 0.00 H new ATOM 176 N ASP A 15 6.842 -13.488 -4.857 1.00 0.00 N ATOM 177 CA ASP A 15 6.508 -12.199 -5.450 1.00 0.00 C ATOM 178 C ASP A 15 5.647 -12.394 -6.692 1.00 0.00 C ATOM 179 O ASP A 15 5.643 -13.470 -7.301 1.00 0.00 O ATOM 180 CB ASP A 15 7.767 -11.394 -5.791 1.00 0.00 C ATOM 181 CG ASP A 15 8.544 -11.952 -6.966 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.334 -12.898 -6.763 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.389 -11.436 -8.091 1.00 0.00 O ATOM 0 H ASP A 15 7.823 -13.754 -4.942 1.00 0.00 H new ATOM 0 HA ASP A 15 5.941 -11.630 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.482 -10.365 -6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.417 -11.365 -4.917 1.00 0.00 H new ATOM 188 N GLY A 16 4.907 -11.358 -7.055 1.00 0.00 N ATOM 189 CA GLY A 16 4.025 -11.444 -8.198 1.00 0.00 C ATOM 190 C GLY A 16 2.614 -11.790 -7.772 1.00 0.00 C ATOM 191 O GLY A 16 1.687 -11.767 -8.581 1.00 0.00 O ATOM 0 H GLY A 16 4.902 -10.457 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.024 -10.494 -8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.395 -12.200 -8.891 1.00 0.00 H new ATOM 195 N THR A 17 2.460 -12.109 -6.493 1.00 0.00 N ATOM 196 CA THR A 17 1.166 -12.462 -5.933 1.00 0.00 C ATOM 197 C THR A 17 0.330 -11.205 -5.695 1.00 0.00 C ATOM 198 O THR A 17 0.865 -10.140 -5.379 1.00 0.00 O ATOM 199 CB THR A 17 1.344 -13.242 -4.615 1.00 0.00 C ATOM 200 OG1 THR A 17 2.227 -14.350 -4.833 1.00 0.00 O ATOM 201 CG2 THR A 17 0.014 -13.753 -4.079 1.00 0.00 C ATOM 0 H THR A 17 3.226 -12.130 -5.819 1.00 0.00 H new ATOM 0 HA THR A 17 0.643 -13.100 -6.646 1.00 0.00 H new ATOM 0 HB THR A 17 1.765 -12.561 -3.875 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.029 -14.242 -4.281 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.181 -14.297 -3.150 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.651 -12.910 -3.891 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.442 -14.418 -4.812 1.00 0.00 H new ATOM 209 N VAL A 18 -0.977 -11.330 -5.856 1.00 0.00 N ATOM 210 CA VAL A 18 -1.874 -10.205 -5.679 1.00 0.00 C ATOM 211 C VAL A 18 -2.394 -10.131 -4.246 1.00 0.00 C ATOM 212 O VAL A 18 -2.952 -11.093 -3.722 1.00 0.00 O ATOM 213 CB VAL A 18 -3.068 -10.289 -6.650 1.00 0.00 C ATOM 214 CG1 VAL A 18 -3.928 -9.043 -6.540 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.588 -10.500 -8.082 1.00 0.00 C ATOM 0 H VAL A 18 -1.439 -12.203 -6.110 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.301 -9.303 -5.894 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.678 -11.149 -6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.767 -9.118 -7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.305 -8.950 -5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.331 -8.166 -6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.448 -10.556 -8.749 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.952 -9.666 -8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.021 -11.429 -8.142 1.00 0.00 H new ATOM 225 N VAL A 19 -2.186 -8.986 -3.616 1.00 0.00 N ATOM 226 CA VAL A 19 -2.641 -8.758 -2.255 1.00 0.00 C ATOM 227 C VAL A 19 -4.008 -8.084 -2.276 1.00 0.00 C ATOM 228 O VAL A 19 -4.196 -7.083 -2.969 1.00 0.00 O ATOM 229 CB VAL A 19 -1.657 -7.859 -1.478 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.060 -7.740 -0.015 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.237 -8.386 -1.604 1.00 0.00 C ATOM 0 H VAL A 19 -1.699 -8.192 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.701 -9.726 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.694 -6.862 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.348 -7.101 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.057 -7.305 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.063 -8.729 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.442 -7.738 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.187 -9.397 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.054 -8.401 -2.654 1.00 0.00 H new ATOM 241 N LYS A 20 -4.952 -8.628 -1.532 1.00 0.00 N ATOM 242 CA LYS A 20 -6.294 -8.066 -1.484 1.00 0.00 C ATOM 243 C LYS A 20 -6.451 -7.130 -0.291 1.00 0.00 C ATOM 244 O LYS A 20 -6.156 -7.503 0.847 1.00 0.00 O ATOM 245 CB LYS A 20 -7.343 -9.177 -1.415 1.00 0.00 C ATOM 246 CG LYS A 20 -8.770 -8.654 -1.435 1.00 0.00 C ATOM 247 CD LYS A 20 -9.759 -9.693 -0.932 1.00 0.00 C ATOM 248 CE LYS A 20 -9.839 -10.890 -1.860 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.911 -11.832 -1.451 1.00 0.00 N ATOM 0 H LYS A 20 -4.818 -9.457 -0.953 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.447 -7.493 -2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.200 -9.856 -2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.188 -9.758 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.838 -7.759 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.036 -8.361 -2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.464 -10.024 0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.746 -9.240 -0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.024 -10.549 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.881 -11.410 -1.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.935 -12.637 -2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.721 -12.177 -0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.829 -11.343 -1.469 1.00 0.00 H new ATOM 263 N VAL A 21 -6.907 -5.913 -0.562 1.00 0.00 N ATOM 264 CA VAL A 21 -7.122 -4.918 0.480 1.00 0.00 C ATOM 265 C VAL A 21 -8.557 -4.393 0.413 1.00 0.00 C ATOM 266 O VAL A 21 -8.909 -3.642 -0.495 1.00 0.00 O ATOM 267 CB VAL A 21 -6.135 -3.734 0.346 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.390 -2.684 1.423 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.692 -4.219 0.403 1.00 0.00 C ATOM 0 H VAL A 21 -7.136 -5.590 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.948 -5.402 1.441 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.302 -3.271 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.683 -1.863 1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.407 -2.303 1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.263 -3.134 2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.018 -3.368 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.513 -4.717 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.511 -4.919 -0.412 1.00 0.00 H new ATOM 279 N ALA A 22 -9.384 -4.808 1.362 1.00 0.00 N ATOM 280 CA ALA A 22 -10.778 -4.381 1.406 1.00 0.00 C ATOM 281 C ALA A 22 -11.074 -3.640 2.704 1.00 0.00 C ATOM 282 O ALA A 22 -11.303 -4.255 3.747 1.00 0.00 O ATOM 283 CB ALA A 22 -11.699 -5.582 1.255 1.00 0.00 C ATOM 0 H ALA A 22 -9.114 -5.442 2.114 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.957 -3.697 0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.737 -5.251 1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.505 -6.071 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.515 -6.286 2.067 1.00 0.00 H new ATOM 289 N GLY A 23 -11.061 -2.318 2.641 1.00 0.00 N ATOM 290 CA GLY A 23 -11.321 -1.524 3.820 1.00 0.00 C ATOM 291 C GLY A 23 -12.777 -1.126 3.938 1.00 0.00 C ATOM 292 O GLY A 23 -13.307 -0.436 3.071 1.00 0.00 O ATOM 0 H GLY A 23 -10.875 -1.782 1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.028 -2.087 4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.703 -0.627 3.794 1.00 0.00 H new ATOM 296 N ALA A 24 -13.428 -1.585 4.995 1.00 0.00 N ATOM 297 CA ALA A 24 -14.823 -1.257 5.241 1.00 0.00 C ATOM 298 C ALA A 24 -14.926 -0.281 6.407 1.00 0.00 C ATOM 299 O ALA A 24 -14.191 -0.400 7.388 1.00 0.00 O ATOM 300 CB ALA A 24 -15.630 -2.517 5.518 1.00 0.00 C ATOM 0 H ALA A 24 -13.009 -2.190 5.701 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.237 -0.784 4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.671 -2.250 5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.571 -3.183 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.227 -3.022 6.396 1.00 0.00 H new ATOM 306 N GLY A 25 -15.827 0.682 6.297 1.00 0.00 N ATOM 307 CA GLY A 25 -15.988 1.668 7.347 1.00 0.00 C ATOM 308 C GLY A 25 -15.153 2.898 7.079 1.00 0.00 C ATOM 309 O GLY A 25 -14.710 3.578 8.002 1.00 0.00 O ATOM 0 H GLY A 25 -16.451 0.800 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.038 1.949 7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.701 1.233 8.304 1.00 0.00 H new ATOM 313 N LEU A 26 -14.939 3.178 5.803 1.00 0.00 N ATOM 314 CA LEU A 26 -14.148 4.326 5.392 1.00 0.00 C ATOM 315 C LEU A 26 -15.057 5.496 5.038 1.00 0.00 C ATOM 316 O LEU A 26 -16.283 5.359 5.035 1.00 0.00 O ATOM 317 CB LEU A 26 -13.266 3.953 4.197 1.00 0.00 C ATOM 318 CG LEU A 26 -12.236 2.850 4.468 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.444 2.527 3.209 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.297 3.263 5.590 1.00 0.00 C ATOM 0 H LEU A 26 -15.305 2.622 5.030 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.507 4.627 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.909 3.635 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.739 4.846 3.861 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.773 1.952 4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.720 1.742 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.124 2.187 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.920 3.420 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.573 2.469 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.772 4.176 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.872 3.441 6.499 1.00 0.00 H new ATOM 332 N GLN A 27 -14.461 6.643 4.746 1.00 0.00 N ATOM 333 CA GLN A 27 -15.232 7.827 4.398 1.00 0.00 C ATOM 334 C GLN A 27 -15.567 7.821 2.909 1.00 0.00 C ATOM 335 O GLN A 27 -14.680 7.950 2.064 1.00 0.00 O ATOM 336 CB GLN A 27 -14.456 9.096 4.765 1.00 0.00 C ATOM 337 CG GLN A 27 -15.312 10.354 4.771 1.00 0.00 C ATOM 338 CD GLN A 27 -16.341 10.362 5.889 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.105 9.836 6.979 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.497 10.949 5.620 1.00 0.00 N ATOM 0 H GLN A 27 -13.450 6.779 4.743 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.163 7.815 4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.009 8.966 5.751 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.637 9.228 4.058 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.666 11.226 4.872 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.823 10.444 3.813 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.653 11.373 4.705 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.231 10.977 6.327 1.00 0.00 H new ATOM 349 N ALA A 28 -16.848 7.673 2.597 1.00 0.00 N ATOM 350 CA ALA A 28 -17.312 7.631 1.215 1.00 0.00 C ATOM 351 C ALA A 28 -16.955 8.907 0.460 1.00 0.00 C ATOM 352 O ALA A 28 -16.995 10.006 1.017 1.00 0.00 O ATOM 353 CB ALA A 28 -18.815 7.391 1.167 1.00 0.00 C ATOM 0 H ALA A 28 -17.591 7.579 3.289 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.803 6.802 0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.146 7.362 0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.047 6.441 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.329 8.198 1.689 1.00 0.00 H new ATOM 359 N GLY A 29 -16.578 8.751 -0.806 1.00 0.00 N ATOM 360 CA GLY A 29 -16.234 9.899 -1.626 1.00 0.00 C ATOM 361 C GLY A 29 -14.760 10.245 -1.566 1.00 0.00 C ATOM 362 O GLY A 29 -14.297 11.145 -2.270 1.00 0.00 O ATOM 0 H GLY A 29 -16.505 7.850 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.513 9.697 -2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.818 10.760 -1.300 1.00 0.00 H new ATOM 366 N THR A 30 -14.024 9.536 -0.727 1.00 0.00 N ATOM 367 CA THR A 30 -12.598 9.775 -0.575 1.00 0.00 C ATOM 368 C THR A 30 -11.785 8.723 -1.327 1.00 0.00 C ATOM 369 O THR A 30 -12.230 7.582 -1.492 1.00 0.00 O ATOM 370 CB THR A 30 -12.193 9.768 0.912 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.276 10.262 1.715 1.00 0.00 O ATOM 372 CG2 THR A 30 -10.954 10.624 1.148 1.00 0.00 C ATOM 0 H THR A 30 -14.391 8.788 -0.139 1.00 0.00 H new ATOM 0 HA THR A 30 -12.385 10.757 -0.997 1.00 0.00 H new ATOM 0 HB THR A 30 -11.963 8.741 1.195 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.951 9.560 1.821 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.692 10.600 2.206 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.124 10.233 0.559 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.159 11.652 0.848 1.00 0.00 H new ATOM 380 N ALA A 31 -10.606 9.114 -1.794 1.00 0.00 N ATOM 381 CA ALA A 31 -9.727 8.210 -2.517 1.00 0.00 C ATOM 382 C ALA A 31 -8.651 7.677 -1.586 1.00 0.00 C ATOM 383 O ALA A 31 -8.081 8.425 -0.789 1.00 0.00 O ATOM 384 CB ALA A 31 -9.100 8.914 -3.711 1.00 0.00 C ATOM 0 H ALA A 31 -10.237 10.058 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.316 7.372 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.445 8.221 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.885 9.257 -4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.520 9.769 -3.365 1.00 0.00 H new ATOM 390 N TYR A 32 -8.382 6.386 -1.673 1.00 0.00 N ATOM 391 CA TYR A 32 -7.382 5.764 -0.824 1.00 0.00 C ATOM 392 C TYR A 32 -6.234 5.196 -1.652 1.00 0.00 C ATOM 393 O TYR A 32 -6.448 4.471 -2.627 1.00 0.00 O ATOM 394 CB TYR A 32 -8.024 4.672 0.039 1.00 0.00 C ATOM 395 CG TYR A 32 -8.972 5.221 1.087 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.283 5.556 0.762 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.553 5.417 2.397 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.146 6.068 1.711 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.411 5.929 3.352 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.706 6.253 3.003 1.00 0.00 C ATOM 401 OH TYR A 32 -11.563 6.766 3.951 1.00 0.00 O ATOM 0 H TYR A 32 -8.842 5.749 -2.323 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.969 6.529 -0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.566 3.980 -0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.239 4.099 0.533 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.632 5.413 -0.250 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.540 5.165 2.674 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.161 6.322 1.441 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.070 6.075 4.366 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.098 6.833 4.811 1.00 0.00 H new ATOM 411 N ASP A 33 -5.021 5.544 -1.253 1.00 0.00 N ATOM 412 CA ASP A 33 -3.814 5.092 -1.934 1.00 0.00 C ATOM 413 C ASP A 33 -3.331 3.788 -1.322 1.00 0.00 C ATOM 414 O ASP A 33 -3.167 3.689 -0.105 1.00 0.00 O ATOM 415 CB ASP A 33 -2.717 6.155 -1.829 1.00 0.00 C ATOM 416 CG ASP A 33 -1.548 5.890 -2.760 1.00 0.00 C ATOM 417 OD1 ASP A 33 -0.601 5.188 -2.360 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.564 6.407 -3.899 1.00 0.00 O ATOM 0 H ASP A 33 -4.843 6.147 -0.449 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.045 4.928 -2.986 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.142 7.133 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.355 6.196 -0.802 1.00 0.00 H new ATOM 423 N VAL A 34 -3.127 2.788 -2.163 1.00 0.00 N ATOM 424 CA VAL A 34 -2.672 1.485 -1.705 1.00 0.00 C ATOM 425 C VAL A 34 -1.499 0.997 -2.548 1.00 0.00 C ATOM 426 O VAL A 34 -1.557 1.023 -3.780 1.00 0.00 O ATOM 427 CB VAL A 34 -3.810 0.438 -1.769 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.342 -0.906 -1.227 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.035 0.917 -1.008 1.00 0.00 C ATOM 0 H VAL A 34 -3.270 2.854 -3.171 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.354 1.600 -0.669 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.086 0.311 -2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.159 -1.625 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.502 -1.265 -1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.030 -0.791 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.819 0.163 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.772 1.084 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.393 1.849 -1.445 1.00 0.00 H new ATOM 439 N GLY A 35 -0.424 0.593 -1.887 1.00 0.00 N ATOM 440 CA GLY A 35 0.739 0.091 -2.590 1.00 0.00 C ATOM 441 C GLY A 35 1.600 -0.766 -1.689 1.00 0.00 C ATOM 442 O GLY A 35 1.303 -0.906 -0.501 1.00 0.00 O ATOM 0 H GLY A 35 -0.336 0.604 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.420 -0.492 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.326 0.927 -2.969 1.00 0.00 H new ATOM 446 N GLN A 36 2.665 -1.343 -2.232 1.00 0.00 N ATOM 447 CA GLN A 36 3.560 -2.172 -1.432 1.00 0.00 C ATOM 448 C GLN A 36 4.561 -1.274 -0.712 1.00 0.00 C ATOM 449 O GLN A 36 5.776 -1.427 -0.829 1.00 0.00 O ATOM 450 CB GLN A 36 4.270 -3.215 -2.302 1.00 0.00 C ATOM 451 CG GLN A 36 5.087 -2.631 -3.442 1.00 0.00 C ATOM 452 CD GLN A 36 5.745 -3.704 -4.280 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.221 -4.109 -5.313 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.890 -4.186 -3.830 1.00 0.00 N ATOM 0 H GLN A 36 2.929 -1.254 -3.213 1.00 0.00 H new ATOM 0 HA GLN A 36 2.978 -2.720 -0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.927 -3.812 -1.669 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.524 -3.893 -2.716 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.441 -2.023 -4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.852 -1.969 -3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.292 -3.822 -2.966 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.371 -4.922 -4.346 1.00 0.00 H new ATOM 463 N CYS A 37 4.020 -0.326 0.033 1.00 0.00 N ATOM 464 CA CYS A 37 4.812 0.640 0.768 1.00 0.00 C ATOM 465 C CYS A 37 5.640 -0.014 1.865 1.00 0.00 C ATOM 466 O CYS A 37 5.110 -0.410 2.904 1.00 0.00 O ATOM 467 CB CYS A 37 3.894 1.694 1.369 1.00 0.00 C ATOM 468 SG CYS A 37 2.408 2.037 0.368 1.00 0.00 S ATOM 0 H CYS A 37 3.013 -0.206 0.145 1.00 0.00 H new ATOM 0 HA CYS A 37 5.508 1.103 0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.584 1.368 2.362 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.455 2.620 1.498 1.00 0.00 H new ATOM 473 N ALA A 38 6.940 -0.109 1.624 1.00 0.00 N ATOM 474 CA ALA A 38 7.863 -0.700 2.578 1.00 0.00 C ATOM 475 C ALA A 38 8.850 0.349 3.066 1.00 0.00 C ATOM 476 O ALA A 38 8.757 1.519 2.687 1.00 0.00 O ATOM 477 CB ALA A 38 8.595 -1.885 1.963 1.00 0.00 C ATOM 0 H ALA A 38 7.381 0.220 0.765 1.00 0.00 H new ATOM 0 HA ALA A 38 7.292 -1.067 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.280 -2.310 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.872 -2.642 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.158 -1.552 1.091 1.00 0.00 H new ATOM 483 N TRP A 39 9.789 -0.067 3.901 1.00 0.00 N ATOM 484 CA TRP A 39 10.786 0.841 4.450 1.00 0.00 C ATOM 485 C TRP A 39 11.724 1.350 3.360 1.00 0.00 C ATOM 486 O TRP A 39 12.349 0.566 2.642 1.00 0.00 O ATOM 487 CB TRP A 39 11.589 0.147 5.547 1.00 0.00 C ATOM 488 CG TRP A 39 10.734 -0.440 6.629 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.258 -1.716 6.688 1.00 0.00 C ATOM 490 CD2 TRP A 39 10.252 0.225 7.802 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.510 -1.888 7.823 1.00 0.00 N ATOM 492 CE2 TRP A 39 9.487 -0.711 8.525 1.00 0.00 C ATOM 493 CE3 TRP A 39 10.386 1.520 8.311 1.00 0.00 C ATOM 494 CZ2 TRP A 39 8.869 -0.393 9.730 1.00 0.00 C ATOM 495 CZ3 TRP A 39 9.772 1.832 9.507 1.00 0.00 C ATOM 496 CH2 TRP A 39 9.017 0.879 10.203 1.00 0.00 C ATOM 0 H TRP A 39 9.882 -1.033 4.215 1.00 0.00 H new ATOM 0 HA TRP A 39 10.262 1.696 4.878 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.192 -0.644 5.101 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.281 0.864 5.989 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.444 -2.480 5.948 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.045 -2.752 8.101 1.00 0.00 H new ATOM 0 HE3 TRP A 39 10.960 2.263 7.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.292 -1.127 10.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 9.875 2.827 9.913 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.542 1.156 11.133 1.00 0.00 H new ATOM 507 N VAL A 40 11.818 2.664 3.245 1.00 0.00 N ATOM 508 CA VAL A 40 12.677 3.285 2.248 1.00 0.00 C ATOM 509 C VAL A 40 13.882 3.946 2.922 1.00 0.00 C ATOM 510 O VAL A 40 14.917 4.180 2.291 1.00 0.00 O ATOM 511 CB VAL A 40 11.898 4.322 1.398 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.728 5.641 2.139 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.577 4.537 0.054 1.00 0.00 C ATOM 0 H VAL A 40 11.308 3.325 3.832 1.00 0.00 H new ATOM 0 HA VAL A 40 13.032 2.502 1.577 1.00 0.00 H new ATOM 0 HB VAL A 40 10.902 3.918 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.178 6.342 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.176 5.471 3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.708 6.056 2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.013 5.268 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.591 4.904 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.614 3.593 -0.490 1.00 0.00 H new ATOM 523 N ASP A 41 13.738 4.226 4.211 1.00 0.00 N ATOM 524 CA ASP A 41 14.792 4.848 5.002 1.00 0.00 C ATOM 525 C ASP A 41 14.524 4.579 6.479 1.00 0.00 C ATOM 526 O ASP A 41 13.642 3.790 6.814 1.00 0.00 O ATOM 527 CB ASP A 41 14.853 6.361 4.734 1.00 0.00 C ATOM 528 CG ASP A 41 16.228 6.955 4.979 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.598 7.160 6.153 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.939 7.241 3.998 1.00 0.00 O ATOM 0 H ASP A 41 12.887 4.028 4.738 1.00 0.00 H new ATOM 0 HA ASP A 41 15.755 4.422 4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.560 6.553 3.702 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.127 6.866 5.371 1.00 0.00 H new ATOM 535 N THR A 42 15.258 5.247 7.355 1.00 0.00 N ATOM 536 CA THR A 42 15.096 5.069 8.786 1.00 0.00 C ATOM 537 C THR A 42 13.798 5.710 9.267 1.00 0.00 C ATOM 538 O THR A 42 13.717 6.925 9.445 1.00 0.00 O ATOM 539 CB THR A 42 16.290 5.666 9.551 1.00 0.00 C ATOM 540 OG1 THR A 42 17.513 5.349 8.867 1.00 0.00 O ATOM 541 CG2 THR A 42 16.341 5.129 10.969 1.00 0.00 C ATOM 0 H THR A 42 15.977 5.922 7.095 1.00 0.00 H new ATOM 0 HA THR A 42 15.054 3.998 8.986 1.00 0.00 H new ATOM 0 HB THR A 42 16.168 6.748 9.594 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.270 5.732 9.357 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.193 5.564 11.492 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.421 5.392 11.491 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.446 4.044 10.944 1.00 0.00 H new ATOM 549 N GLY A 43 12.774 4.885 9.437 1.00 0.00 N ATOM 550 CA GLY A 43 11.487 5.368 9.887 1.00 0.00 C ATOM 551 C GLY A 43 10.642 5.914 8.754 1.00 0.00 C ATOM 552 O GLY A 43 9.509 6.345 8.967 1.00 0.00 O ATOM 0 H GLY A 43 12.815 3.880 9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.950 4.557 10.378 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.636 6.149 10.633 1.00 0.00 H new ATOM 556 N VAL A 44 11.185 5.882 7.545 1.00 0.00 N ATOM 557 CA VAL A 44 10.482 6.387 6.376 1.00 0.00 C ATOM 558 C VAL A 44 10.085 5.238 5.460 1.00 0.00 C ATOM 559 O VAL A 44 10.873 4.322 5.221 1.00 0.00 O ATOM 560 CB VAL A 44 11.341 7.394 5.587 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.482 8.211 4.634 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.107 8.313 6.528 1.00 0.00 C ATOM 0 H VAL A 44 12.114 5.510 7.349 1.00 0.00 H new ATOM 0 HA VAL A 44 9.589 6.901 6.731 1.00 0.00 H new ATOM 0 HB VAL A 44 12.062 6.826 5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.111 8.914 4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.987 7.544 3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.731 8.761 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.705 9.014 5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.403 8.866 7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.762 7.718 7.164 1.00 0.00 H new ATOM 572 N LEU A 45 8.865 5.293 4.951 1.00 0.00 N ATOM 573 CA LEU A 45 8.358 4.259 4.065 1.00 0.00 C ATOM 574 C LEU A 45 7.964 4.870 2.725 1.00 0.00 C ATOM 575 O LEU A 45 7.789 6.083 2.628 1.00 0.00 O ATOM 576 CB LEU A 45 7.155 3.556 4.699 1.00 0.00 C ATOM 577 CG LEU A 45 7.379 3.038 6.123 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.570 3.853 7.122 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.027 1.563 6.217 1.00 0.00 C ATOM 0 H LEU A 45 8.205 6.047 5.138 1.00 0.00 H new ATOM 0 HA LEU A 45 9.143 3.521 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.314 4.249 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.869 2.717 4.065 1.00 0.00 H new ATOM 0 HG LEU A 45 8.435 3.151 6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.742 3.470 8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.878 4.897 7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.510 3.776 6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.193 1.214 7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.980 1.421 5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.656 0.994 5.532 1.00 0.00 H new ATOM 591 N ALA A 46 7.830 4.039 1.700 1.00 0.00 N ATOM 592 CA ALA A 46 7.462 4.522 0.374 1.00 0.00 C ATOM 593 C ALA A 46 6.707 3.455 -0.412 1.00 0.00 C ATOM 594 O ALA A 46 7.002 2.268 -0.294 1.00 0.00 O ATOM 595 CB ALA A 46 8.707 4.952 -0.379 1.00 0.00 C ATOM 0 H ALA A 46 7.970 3.030 1.760 1.00 0.00 H new ATOM 0 HA ALA A 46 6.799 5.379 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.427 5.312 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.207 5.750 0.170 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.383 4.103 -0.479 1.00 0.00 H new ATOM 601 N CYS A 47 5.739 3.888 -1.215 1.00 0.00 N ATOM 602 CA CYS A 47 4.932 2.975 -2.023 1.00 0.00 C ATOM 603 C CYS A 47 5.498 2.854 -3.433 1.00 0.00 C ATOM 604 O CYS A 47 6.364 3.633 -3.818 1.00 0.00 O ATOM 605 CB CYS A 47 3.486 3.468 -2.086 1.00 0.00 C ATOM 606 SG CYS A 47 2.764 3.856 -0.460 1.00 0.00 S ATOM 0 H CYS A 47 5.492 4.872 -1.325 1.00 0.00 H new ATOM 0 HA CYS A 47 4.957 1.991 -1.554 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.444 4.359 -2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.874 2.707 -2.571 1.00 0.00 H new ATOM 611 N ASN A 48 5.005 1.885 -4.197 1.00 0.00 N ATOM 612 CA ASN A 48 5.474 1.676 -5.563 1.00 0.00 C ATOM 613 C ASN A 48 4.635 2.486 -6.548 1.00 0.00 C ATOM 614 O ASN A 48 3.415 2.359 -6.593 1.00 0.00 O ATOM 615 CB ASN A 48 5.459 0.179 -5.932 1.00 0.00 C ATOM 616 CG ASN A 48 4.079 -0.460 -5.883 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.276 -0.180 -4.987 1.00 0.00 O ATOM 618 ND2 ASN A 48 3.806 -1.347 -6.832 1.00 0.00 N ATOM 0 H ASN A 48 4.282 1.232 -3.894 1.00 0.00 H new ATOM 0 HA ASN A 48 6.505 2.024 -5.623 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.867 0.059 -6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.121 -0.358 -5.252 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.905 -1.826 -6.839 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.497 -1.550 -7.554 1.00 0.00 H new ATOM 625 N PRO A 49 5.282 3.346 -7.349 1.00 0.00 N ATOM 626 CA PRO A 49 4.602 4.199 -8.331 1.00 0.00 C ATOM 627 C PRO A 49 4.374 3.518 -9.677 1.00 0.00 C ATOM 628 O PRO A 49 3.995 4.167 -10.655 1.00 0.00 O ATOM 629 CB PRO A 49 5.592 5.344 -8.496 1.00 0.00 C ATOM 630 CG PRO A 49 6.923 4.688 -8.351 1.00 0.00 C ATOM 631 CD PRO A 49 6.739 3.584 -7.344 1.00 0.00 C ATOM 0 HA PRO A 49 3.604 4.484 -7.998 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.488 5.826 -9.468 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.442 6.115 -7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.267 4.291 -9.306 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.674 5.402 -8.013 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.292 2.688 -7.626 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.093 3.879 -6.356 1.00 0.00 H new ATOM 639 N ALA A 50 4.608 2.218 -9.737 1.00 0.00 N ATOM 640 CA ALA A 50 4.428 1.486 -10.978 1.00 0.00 C ATOM 641 C ALA A 50 3.158 0.649 -10.939 1.00 0.00 C ATOM 642 O ALA A 50 2.142 1.021 -11.528 1.00 0.00 O ATOM 643 CB ALA A 50 5.641 0.615 -11.263 1.00 0.00 C ATOM 0 H ALA A 50 4.920 1.652 -8.948 1.00 0.00 H new ATOM 0 HA ALA A 50 4.326 2.209 -11.787 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.489 0.074 -12.197 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.528 1.243 -11.348 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.777 -0.097 -10.449 1.00 0.00 H new ATOM 649 N ASP A 51 3.204 -0.463 -10.222 1.00 0.00 N ATOM 650 CA ASP A 51 2.054 -1.354 -10.138 1.00 0.00 C ATOM 651 C ASP A 51 1.228 -1.106 -8.875 1.00 0.00 C ATOM 652 O ASP A 51 1.189 -1.939 -7.967 1.00 0.00 O ATOM 653 CB ASP A 51 2.507 -2.817 -10.190 1.00 0.00 C ATOM 654 CG ASP A 51 1.526 -3.703 -10.931 1.00 0.00 C ATOM 655 OD1 ASP A 51 0.313 -3.409 -10.908 1.00 0.00 O ATOM 656 OD2 ASP A 51 1.965 -4.700 -11.546 1.00 0.00 O ATOM 0 H ASP A 51 4.020 -0.770 -9.692 1.00 0.00 H new ATOM 0 HA ASP A 51 1.417 -1.142 -10.997 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.482 -2.875 -10.675 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.633 -3.191 -9.174 1.00 0.00 H new ATOM 661 N PHE A 52 0.579 0.048 -8.818 1.00 0.00 N ATOM 662 CA PHE A 52 -0.270 0.390 -7.684 1.00 0.00 C ATOM 663 C PHE A 52 -1.692 0.620 -8.180 1.00 0.00 C ATOM 664 O PHE A 52 -1.913 0.732 -9.387 1.00 0.00 O ATOM 665 CB PHE A 52 0.257 1.627 -6.946 1.00 0.00 C ATOM 666 CG PHE A 52 0.062 2.925 -7.681 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.996 3.359 -8.608 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.048 3.719 -7.435 1.00 0.00 C ATOM 669 CE1 PHE A 52 0.825 4.556 -9.275 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.222 4.916 -8.097 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.284 5.336 -9.019 1.00 0.00 C ATOM 0 H PHE A 52 0.624 0.764 -9.543 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.262 -0.436 -6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.239 1.695 -5.978 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.321 1.492 -6.751 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.867 2.754 -8.811 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.786 3.396 -6.716 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.559 4.882 -9.997 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.091 5.524 -7.895 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.418 6.273 -9.539 1.00 0.00 H new ATOM 681 N SER A 53 -2.658 0.677 -7.274 1.00 0.00 N ATOM 682 CA SER A 53 -4.043 0.887 -7.672 1.00 0.00 C ATOM 683 C SER A 53 -4.835 1.616 -6.590 1.00 0.00 C ATOM 684 O SER A 53 -5.222 1.021 -5.582 1.00 0.00 O ATOM 685 CB SER A 53 -4.710 -0.452 -8.001 1.00 0.00 C ATOM 686 OG SER A 53 -4.023 -1.114 -9.052 1.00 0.00 O ATOM 0 H SER A 53 -2.511 0.582 -6.269 1.00 0.00 H new ATOM 0 HA SER A 53 -4.039 1.515 -8.563 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.722 -1.085 -7.114 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.748 -0.285 -8.288 1.00 0.00 H new ATOM 0 HG SER A 53 -4.465 -1.967 -9.245 1.00 0.00 H new ATOM 692 N SER A 54 -5.050 2.908 -6.801 1.00 0.00 N ATOM 693 CA SER A 54 -5.814 3.725 -5.870 1.00 0.00 C ATOM 694 C SER A 54 -7.298 3.386 -5.989 1.00 0.00 C ATOM 695 O SER A 54 -7.824 3.253 -7.097 1.00 0.00 O ATOM 696 CB SER A 54 -5.578 5.208 -6.166 1.00 0.00 C ATOM 697 OG SER A 54 -4.206 5.450 -6.441 1.00 0.00 O ATOM 0 H SER A 54 -4.703 3.415 -7.615 1.00 0.00 H new ATOM 0 HA SER A 54 -5.487 3.518 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.185 5.516 -7.017 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.895 5.810 -5.314 1.00 0.00 H new ATOM 0 HG SER A 54 -4.073 6.402 -6.630 1.00 0.00 H new ATOM 703 N VAL A 55 -7.967 3.236 -4.859 1.00 0.00 N ATOM 704 CA VAL A 55 -9.379 2.890 -4.860 1.00 0.00 C ATOM 705 C VAL A 55 -10.214 3.963 -4.162 1.00 0.00 C ATOM 706 O VAL A 55 -9.785 4.562 -3.176 1.00 0.00 O ATOM 707 CB VAL A 55 -9.614 1.515 -4.190 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.138 1.518 -2.742 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.075 1.102 -4.275 1.00 0.00 C ATOM 0 H VAL A 55 -7.558 3.348 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.698 2.830 -5.901 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.024 0.780 -4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.316 0.539 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.072 1.742 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.685 2.276 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.207 0.132 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.693 1.844 -3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.373 1.033 -5.321 1.00 0.00 H new ATOM 719 N THR A 56 -11.398 4.215 -4.699 1.00 0.00 N ATOM 720 CA THR A 56 -12.301 5.200 -4.134 1.00 0.00 C ATOM 721 C THR A 56 -13.327 4.510 -3.240 1.00 0.00 C ATOM 722 O THR A 56 -13.746 3.383 -3.519 1.00 0.00 O ATOM 723 CB THR A 56 -13.022 6.004 -5.244 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.871 7.008 -4.673 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.850 5.091 -6.139 1.00 0.00 C ATOM 0 H THR A 56 -11.756 3.746 -5.531 1.00 0.00 H new ATOM 0 HA THR A 56 -11.712 5.899 -3.540 1.00 0.00 H new ATOM 0 HB THR A 56 -12.253 6.484 -5.849 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.316 7.506 -5.390 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.344 5.685 -6.908 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.198 4.356 -6.611 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.601 4.578 -5.539 1.00 0.00 H new ATOM 733 N ALA A 57 -13.701 5.168 -2.149 1.00 0.00 N ATOM 734 CA ALA A 57 -14.682 4.613 -1.230 1.00 0.00 C ATOM 735 C ALA A 57 -16.069 4.659 -1.857 1.00 0.00 C ATOM 736 O ALA A 57 -16.512 5.710 -2.326 1.00 0.00 O ATOM 737 CB ALA A 57 -14.661 5.365 0.091 1.00 0.00 C ATOM 0 H ALA A 57 -13.340 6.084 -1.881 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.427 3.572 -1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.402 4.936 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.671 5.284 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.895 6.415 -0.084 1.00 0.00 H new ATOM 743 N ASP A 58 -16.743 3.520 -1.872 1.00 0.00 N ATOM 744 CA ASP A 58 -18.073 3.423 -2.459 1.00 0.00 C ATOM 745 C ASP A 58 -19.146 3.960 -1.514 1.00 0.00 C ATOM 746 O ASP A 58 -18.848 4.371 -0.390 1.00 0.00 O ATOM 747 CB ASP A 58 -18.370 1.970 -2.856 1.00 0.00 C ATOM 748 CG ASP A 58 -18.973 1.137 -1.737 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.478 1.197 -0.595 1.00 0.00 O ATOM 750 OD2 ASP A 58 -19.945 0.400 -2.005 1.00 0.00 O ATOM 0 H ASP A 58 -16.390 2.646 -1.483 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.093 4.043 -3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.053 1.968 -3.706 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.445 1.498 -3.189 1.00 0.00 H new ATOM 755 N ALA A 59 -20.395 3.950 -1.979 1.00 0.00 N ATOM 756 CA ALA A 59 -21.520 4.451 -1.196 1.00 0.00 C ATOM 757 C ALA A 59 -21.717 3.656 0.092 1.00 0.00 C ATOM 758 O ALA A 59 -22.221 4.184 1.079 1.00 0.00 O ATOM 759 CB ALA A 59 -22.794 4.431 -2.033 1.00 0.00 C ATOM 0 H ALA A 59 -20.652 3.597 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.293 5.479 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.626 4.807 -1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.662 5.062 -2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.006 3.409 -2.349 1.00 0.00 H new ATOM 765 N ASN A 60 -21.298 2.395 0.090 1.00 0.00 N ATOM 766 CA ASN A 60 -21.442 1.542 1.265 1.00 0.00 C ATOM 767 C ASN A 60 -20.341 1.830 2.284 1.00 0.00 C ATOM 768 O ASN A 60 -20.315 1.243 3.369 1.00 0.00 O ATOM 769 CB ASN A 60 -21.419 0.056 0.877 1.00 0.00 C ATOM 770 CG ASN A 60 -22.605 -0.350 0.019 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.686 -0.652 0.529 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.409 -0.377 -1.290 1.00 0.00 N ATOM 0 H ASN A 60 -20.857 1.941 -0.710 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.408 1.767 1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.496 -0.159 0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.408 -0.551 1.783 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.167 -0.655 -1.914 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.500 -0.120 -1.675 1.00 0.00 H new ATOM 779 N GLY A 61 -19.437 2.735 1.927 1.00 0.00 N ATOM 780 CA GLY A 61 -18.352 3.103 2.811 1.00 0.00 C ATOM 781 C GLY A 61 -17.262 2.056 2.838 1.00 0.00 C ATOM 782 O GLY A 61 -16.663 1.796 3.882 1.00 0.00 O ATOM 0 H GLY A 61 -19.439 3.223 1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.931 4.056 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.740 3.249 3.819 1.00 0.00 H new ATOM 786 N SER A 62 -17.005 1.455 1.691 1.00 0.00 N ATOM 787 CA SER A 62 -15.988 0.426 1.587 1.00 0.00 C ATOM 788 C SER A 62 -15.137 0.623 0.337 1.00 0.00 C ATOM 789 O SER A 62 -15.587 1.206 -0.650 1.00 0.00 O ATOM 790 CB SER A 62 -16.652 -0.948 1.571 1.00 0.00 C ATOM 791 OG SER A 62 -17.988 -0.857 1.091 1.00 0.00 O ATOM 0 H SER A 62 -17.488 1.662 0.817 1.00 0.00 H new ATOM 0 HA SER A 62 -15.329 0.496 2.452 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.079 -1.627 0.939 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.650 -1.370 2.576 1.00 0.00 H new ATOM 0 HG SER A 62 -18.033 -0.190 0.374 1.00 0.00 H new ATOM 797 N ALA A 63 -13.902 0.147 0.390 1.00 0.00 N ATOM 798 CA ALA A 63 -12.990 0.259 -0.735 1.00 0.00 C ATOM 799 C ALA A 63 -12.134 -0.993 -0.853 1.00 0.00 C ATOM 800 O ALA A 63 -11.297 -1.266 0.007 1.00 0.00 O ATOM 801 CB ALA A 63 -12.111 1.493 -0.586 1.00 0.00 C ATOM 0 H ALA A 63 -13.508 -0.323 1.205 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.578 0.362 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.434 1.562 -1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.738 2.384 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.531 1.418 0.334 1.00 0.00 H new ATOM 807 N SER A 64 -12.376 -1.767 -1.899 1.00 0.00 N ATOM 808 CA SER A 64 -11.624 -2.986 -2.137 1.00 0.00 C ATOM 809 C SER A 64 -10.712 -2.817 -3.344 1.00 0.00 C ATOM 810 O SER A 64 -11.154 -2.382 -4.412 1.00 0.00 O ATOM 811 CB SER A 64 -12.575 -4.161 -2.353 1.00 0.00 C ATOM 812 OG SER A 64 -13.610 -4.169 -1.380 1.00 0.00 O ATOM 0 H SER A 64 -13.091 -1.570 -2.599 1.00 0.00 H new ATOM 0 HA SER A 64 -11.008 -3.192 -1.261 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.010 -4.101 -3.351 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.018 -5.097 -2.304 1.00 0.00 H new ATOM 0 HG SER A 64 -14.206 -4.930 -1.542 1.00 0.00 H new ATOM 818 N THR A 65 -9.446 -3.154 -3.164 1.00 0.00 N ATOM 819 CA THR A 65 -8.465 -3.042 -4.224 1.00 0.00 C ATOM 820 C THR A 65 -7.474 -4.204 -4.160 1.00 0.00 C ATOM 821 O THR A 65 -7.434 -4.948 -3.176 1.00 0.00 O ATOM 822 CB THR A 65 -7.712 -1.697 -4.135 1.00 0.00 C ATOM 823 OG1 THR A 65 -6.954 -1.470 -5.330 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.786 -1.657 -2.925 1.00 0.00 C ATOM 0 H THR A 65 -9.073 -3.510 -2.284 1.00 0.00 H new ATOM 0 HA THR A 65 -8.991 -3.081 -5.178 1.00 0.00 H new ATOM 0 HB THR A 65 -8.457 -0.909 -4.023 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.080 -1.092 -5.096 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.271 -0.697 -2.892 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.371 -1.786 -2.015 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.052 -2.459 -3.002 1.00 0.00 H new ATOM 832 N SER A 66 -6.693 -4.366 -5.211 1.00 0.00 N ATOM 833 CA SER A 66 -5.706 -5.427 -5.278 1.00 0.00 C ATOM 834 C SER A 66 -4.331 -4.838 -5.578 1.00 0.00 C ATOM 835 O SER A 66 -4.219 -3.880 -6.342 1.00 0.00 O ATOM 836 CB SER A 66 -6.102 -6.443 -6.349 1.00 0.00 C ATOM 837 OG SER A 66 -7.396 -6.967 -6.098 1.00 0.00 O ATOM 0 H SER A 66 -6.724 -3.770 -6.038 1.00 0.00 H new ATOM 0 HA SER A 66 -5.663 -5.938 -4.316 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.082 -5.969 -7.330 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.375 -7.255 -6.372 1.00 0.00 H new ATOM 0 HG SER A 66 -7.628 -7.613 -6.797 1.00 0.00 H new ATOM 843 N LEU A 67 -3.294 -5.392 -4.965 1.00 0.00 N ATOM 844 CA LEU A 67 -1.939 -4.903 -5.178 1.00 0.00 C ATOM 845 C LEU A 67 -0.994 -6.048 -5.531 1.00 0.00 C ATOM 846 O LEU A 67 -0.835 -6.990 -4.758 1.00 0.00 O ATOM 847 CB LEU A 67 -1.431 -4.176 -3.924 1.00 0.00 C ATOM 848 CG LEU A 67 -0.637 -2.891 -4.176 1.00 0.00 C ATOM 849 CD1 LEU A 67 0.698 -3.189 -4.837 1.00 0.00 C ATOM 850 CD2 LEU A 67 -1.449 -1.919 -5.020 1.00 0.00 C ATOM 0 H LEU A 67 -3.365 -6.178 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.961 -4.203 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.288 -3.934 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.803 -4.864 -3.357 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.434 -2.427 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.238 -2.257 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.287 -3.840 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.528 -3.685 -5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.869 -1.012 -5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.688 -2.381 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.372 -1.668 -4.498 1.00 0.00 H new ATOM 862 N THR A 68 -0.381 -5.976 -6.702 1.00 0.00 N ATOM 863 CA THR A 68 0.563 -6.995 -7.122 1.00 0.00 C ATOM 864 C THR A 68 1.932 -6.692 -6.519 1.00 0.00 C ATOM 865 O THR A 68 2.674 -5.859 -7.038 1.00 0.00 O ATOM 866 CB THR A 68 0.670 -7.059 -8.655 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.627 -6.873 -9.240 1.00 0.00 O ATOM 868 CG2 THR A 68 1.244 -8.395 -9.098 1.00 0.00 C ATOM 0 H THR A 68 -0.521 -5.223 -7.376 1.00 0.00 H new ATOM 0 HA THR A 68 0.207 -7.963 -6.770 1.00 0.00 H new ATOM 0 HB THR A 68 1.338 -6.265 -8.989 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.554 -6.913 -10.216 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.311 -8.419 -10.186 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.238 -8.524 -8.670 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.595 -9.201 -8.756 1.00 0.00 H new ATOM 876 N VAL A 69 2.248 -7.349 -5.412 1.00 0.00 N ATOM 877 CA VAL A 69 3.513 -7.125 -4.732 1.00 0.00 C ATOM 878 C VAL A 69 4.696 -7.650 -5.551 1.00 0.00 C ATOM 879 O VAL A 69 4.786 -8.842 -5.868 1.00 0.00 O ATOM 880 CB VAL A 69 3.522 -7.749 -3.313 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.272 -9.252 -3.360 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.830 -7.440 -2.597 1.00 0.00 C ATOM 0 H VAL A 69 1.645 -8.041 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 69 3.624 -6.046 -4.627 1.00 0.00 H new ATOM 0 HB VAL A 69 2.705 -7.298 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.285 -9.655 -2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.300 -9.445 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.051 -9.732 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.815 -7.887 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.663 -7.851 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.949 -6.360 -2.507 1.00 0.00 H new ATOM 892 N ARG A 70 5.584 -6.741 -5.916 1.00 0.00 N ATOM 893 CA ARG A 70 6.768 -7.083 -6.681 1.00 0.00 C ATOM 894 C ARG A 70 7.949 -7.288 -5.738 1.00 0.00 C ATOM 895 O ARG A 70 7.923 -6.826 -4.597 1.00 0.00 O ATOM 896 CB ARG A 70 7.083 -5.975 -7.696 1.00 0.00 C ATOM 897 CG ARG A 70 5.925 -5.639 -8.622 1.00 0.00 C ATOM 898 CD ARG A 70 5.416 -6.874 -9.337 1.00 0.00 C ATOM 899 NE ARG A 70 4.376 -6.562 -10.312 1.00 0.00 N ATOM 900 CZ ARG A 70 4.087 -7.332 -11.359 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.767 -8.452 -11.570 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.122 -6.984 -12.194 1.00 0.00 N ATOM 0 H ARG A 70 5.504 -5.749 -5.691 1.00 0.00 H new ATOM 0 HA ARG A 70 6.584 -8.009 -7.226 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.377 -5.075 -7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.939 -6.280 -8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.115 -5.189 -8.047 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.245 -4.898 -9.355 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.247 -7.367 -9.841 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.024 -7.579 -8.604 1.00 0.00 H new ATOM 0 HE ARG A 70 3.839 -5.704 -10.184 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.513 -8.724 -10.929 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.544 -9.040 -12.373 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.597 -6.124 -12.037 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.903 -7.576 -12.995 1.00 0.00 H new ATOM 916 N ARG A 71 8.979 -7.974 -6.213 1.00 0.00 N ATOM 917 CA ARG A 71 10.155 -8.235 -5.396 1.00 0.00 C ATOM 918 C ARG A 71 10.996 -6.968 -5.263 1.00 0.00 C ATOM 919 O ARG A 71 11.596 -6.710 -4.221 1.00 0.00 O ATOM 920 CB ARG A 71 10.984 -9.368 -6.003 1.00 0.00 C ATOM 921 CG ARG A 71 12.012 -9.952 -5.050 1.00 0.00 C ATOM 922 CD ARG A 71 11.363 -10.827 -3.988 1.00 0.00 C ATOM 923 NE ARG A 71 10.914 -12.108 -4.528 1.00 0.00 N ATOM 924 CZ ARG A 71 10.941 -13.256 -3.854 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.391 -13.291 -2.603 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.513 -14.369 -4.435 1.00 0.00 N ATOM 0 H ARG A 71 9.024 -8.359 -7.157 1.00 0.00 H new ATOM 0 HA ARG A 71 9.830 -8.542 -4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.313 -10.162 -6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.495 -8.997 -6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.737 -10.540 -5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.562 -9.144 -4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.074 -11.004 -3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.513 -10.299 -3.554 1.00 0.00 H new ATOM 0 HE ARG A 71 10.557 -12.124 -5.483 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.718 -12.435 -2.155 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.409 -14.174 -2.092 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.165 -14.343 -5.394 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.532 -15.251 -3.923 1.00 0.00 H new ATOM 940 N SER A 72 11.028 -6.180 -6.324 1.00 0.00 N ATOM 941 CA SER A 72 11.776 -4.934 -6.335 1.00 0.00 C ATOM 942 C SER A 72 10.883 -3.814 -6.866 1.00 0.00 C ATOM 943 O SER A 72 10.196 -3.988 -7.879 1.00 0.00 O ATOM 944 CB SER A 72 13.038 -5.083 -7.191 1.00 0.00 C ATOM 945 OG SER A 72 13.728 -6.283 -6.866 1.00 0.00 O ATOM 0 H SER A 72 10.540 -6.383 -7.196 1.00 0.00 H new ATOM 0 HA SER A 72 12.087 -4.684 -5.321 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.768 -5.087 -8.247 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.694 -4.227 -7.033 1.00 0.00 H new ATOM 0 HG SER A 72 14.384 -6.102 -6.161 1.00 0.00 H new ATOM 951 N PHE A 73 10.874 -2.682 -6.178 1.00 0.00 N ATOM 952 CA PHE A 73 10.037 -1.554 -6.577 1.00 0.00 C ATOM 953 C PHE A 73 10.747 -0.223 -6.338 1.00 0.00 C ATOM 954 O PHE A 73 11.879 -0.185 -5.858 1.00 0.00 O ATOM 955 CB PHE A 73 8.709 -1.585 -5.804 1.00 0.00 C ATOM 956 CG PHE A 73 8.834 -1.279 -4.331 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.412 -2.189 -3.460 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.365 -0.080 -3.822 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.519 -1.906 -2.112 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.471 0.208 -2.475 1.00 0.00 C ATOM 961 CZ PHE A 73 9.048 -0.705 -1.618 1.00 0.00 C ATOM 0 H PHE A 73 11.435 -2.518 -5.342 1.00 0.00 H new ATOM 0 HA PHE A 73 9.838 -1.644 -7.645 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.024 -0.866 -6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.259 -2.571 -5.920 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.783 -3.130 -3.839 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.910 0.640 -4.487 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.971 -2.624 -1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.102 1.148 -2.093 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.131 -0.482 -0.565 1.00 0.00 H new ATOM 971 N GLU A 74 10.082 0.867 -6.692 1.00 0.00 N ATOM 972 CA GLU A 74 10.633 2.198 -6.495 1.00 0.00 C ATOM 973 C GLU A 74 9.897 2.882 -5.354 1.00 0.00 C ATOM 974 O GLU A 74 8.704 2.669 -5.173 1.00 0.00 O ATOM 975 CB GLU A 74 10.515 3.037 -7.770 1.00 0.00 C ATOM 976 CG GLU A 74 11.259 2.455 -8.961 1.00 0.00 C ATOM 977 CD GLU A 74 10.407 1.499 -9.768 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.318 1.906 -10.224 1.00 0.00 O ATOM 979 OE2 GLU A 74 10.820 0.335 -9.951 1.00 0.00 O ATOM 0 H GLU A 74 9.156 0.854 -7.119 1.00 0.00 H new ATOM 0 HA GLU A 74 11.691 2.105 -6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.461 3.142 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.895 4.039 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.598 3.266 -9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.150 1.934 -8.609 1.00 0.00 H new ATOM 986 N GLY A 75 10.606 3.686 -4.585 1.00 0.00 N ATOM 987 CA GLY A 75 9.990 4.369 -3.467 1.00 0.00 C ATOM 988 C GLY A 75 9.344 5.684 -3.861 1.00 0.00 C ATOM 989 O GLY A 75 10.012 6.568 -4.398 1.00 0.00 O ATOM 0 H GLY A 75 11.599 3.880 -4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.237 3.719 -3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.744 4.555 -2.702 1.00 0.00 H new ATOM 993 N PHE A 76 8.049 5.817 -3.586 1.00 0.00 N ATOM 994 CA PHE A 76 7.318 7.033 -3.909 1.00 0.00 C ATOM 995 C PHE A 76 6.553 7.519 -2.688 1.00 0.00 C ATOM 996 O PHE A 76 5.978 6.718 -1.944 1.00 0.00 O ATOM 997 CB PHE A 76 6.343 6.786 -5.062 1.00 0.00 C ATOM 998 CG PHE A 76 6.435 7.800 -6.167 1.00 0.00 C ATOM 999 CD1 PHE A 76 7.554 7.853 -6.984 1.00 0.00 C ATOM 1000 CD2 PHE A 76 5.398 8.691 -6.399 1.00 0.00 C ATOM 1001 CE1 PHE A 76 7.637 8.775 -8.011 1.00 0.00 C ATOM 1002 CE2 PHE A 76 5.475 9.613 -7.424 1.00 0.00 C ATOM 1003 CZ PHE A 76 6.596 9.655 -8.231 1.00 0.00 C ATOM 0 H PHE A 76 7.485 5.094 -3.139 1.00 0.00 H new ATOM 0 HA PHE A 76 8.035 7.795 -4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.529 5.795 -5.476 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.326 6.782 -4.670 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.370 7.166 -6.816 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.520 8.663 -5.771 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.514 8.807 -8.640 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.660 10.301 -7.595 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.658 10.376 -9.033 1.00 0.00 H new ATOM 1013 N LEU A 77 6.565 8.823 -2.473 1.00 0.00 N ATOM 1014 CA LEU A 77 5.864 9.415 -1.348 1.00 0.00 C ATOM 1015 C LEU A 77 4.452 9.821 -1.762 1.00 0.00 C ATOM 1016 O LEU A 77 4.129 9.849 -2.950 1.00 0.00 O ATOM 1017 CB LEU A 77 6.633 10.629 -0.817 1.00 0.00 C ATOM 1018 CG LEU A 77 8.129 10.402 -0.566 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.763 11.661 0.000 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.347 9.225 0.375 1.00 0.00 C ATOM 0 H LEU A 77 7.055 9.494 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 77 5.796 8.674 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.521 11.448 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.170 10.951 0.116 1.00 0.00 H new ATOM 0 HG LEU A 77 8.606 10.168 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.825 11.487 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.641 12.480 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.279 11.920 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.415 9.083 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.858 9.426 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.924 8.323 -0.067 1.00 0.00 H new ATOM 1032 N PHE A 78 3.619 10.155 -0.780 1.00 0.00 N ATOM 1033 CA PHE A 78 2.237 10.548 -1.045 1.00 0.00 C ATOM 1034 C PHE A 78 2.170 11.910 -1.732 1.00 0.00 C ATOM 1035 O PHE A 78 1.210 12.212 -2.441 1.00 0.00 O ATOM 1036 CB PHE A 78 1.438 10.585 0.258 1.00 0.00 C ATOM 1037 CG PHE A 78 0.751 9.288 0.582 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.483 8.176 0.961 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.627 9.184 0.503 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.853 6.982 1.255 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.263 7.992 0.796 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.521 6.890 1.173 1.00 0.00 C ATOM 0 H PHE A 78 3.877 10.162 0.207 1.00 0.00 H new ATOM 0 HA PHE A 78 1.802 9.806 -1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.108 10.846 1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.691 11.376 0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.559 8.242 1.028 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.212 10.043 0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.436 6.121 1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.339 7.923 0.730 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.015 5.958 1.403 1.00 0.00 H new ATOM 1052 N ASP A 79 3.198 12.724 -1.526 1.00 0.00 N ATOM 1053 CA ASP A 79 3.250 14.057 -2.120 1.00 0.00 C ATOM 1054 C ASP A 79 3.629 13.993 -3.599 1.00 0.00 C ATOM 1055 O ASP A 79 3.477 14.973 -4.332 1.00 0.00 O ATOM 1056 CB ASP A 79 4.241 14.942 -1.362 1.00 0.00 C ATOM 1057 CG ASP A 79 5.658 14.834 -1.888 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.178 13.705 -1.999 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.267 15.883 -2.183 1.00 0.00 O ATOM 0 H ASP A 79 4.007 12.486 -0.953 1.00 0.00 H new ATOM 0 HA ASP A 79 2.254 14.493 -2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.914 15.980 -1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.230 14.669 -0.307 1.00 0.00 H new ATOM 1064 N GLY A 80 4.133 12.841 -4.028 1.00 0.00 N ATOM 1065 CA GLY A 80 4.503 12.668 -5.418 1.00 0.00 C ATOM 1066 C GLY A 80 6.003 12.672 -5.653 1.00 0.00 C ATOM 1067 O GLY A 80 6.449 12.565 -6.795 1.00 0.00 O ATOM 0 H GLY A 80 4.291 12.025 -3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.089 11.727 -5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.049 13.464 -6.008 1.00 0.00 H new ATOM 1071 N THR A 81 6.785 12.804 -4.592 1.00 0.00 N ATOM 1072 CA THR A 81 8.237 12.807 -4.724 1.00 0.00 C ATOM 1073 C THR A 81 8.794 11.381 -4.666 1.00 0.00 C ATOM 1074 O THR A 81 8.303 10.542 -3.907 1.00 0.00 O ATOM 1075 CB THR A 81 8.905 13.663 -3.624 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.309 14.966 -3.588 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.401 13.802 -3.865 1.00 0.00 C ATOM 0 H THR A 81 6.444 12.910 -3.637 1.00 0.00 H new ATOM 0 HA THR A 81 8.468 13.245 -5.695 1.00 0.00 H new ATOM 0 HB THR A 81 8.752 13.159 -2.670 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.862 15.097 -2.726 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.842 14.409 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.863 12.815 -3.864 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.571 14.282 -4.829 1.00 0.00 H new ATOM 1085 N ARG A 82 9.796 11.103 -5.492 1.00 0.00 N ATOM 1086 CA ARG A 82 10.424 9.793 -5.519 1.00 0.00 C ATOM 1087 C ARG A 82 11.605 9.766 -4.556 1.00 0.00 C ATOM 1088 O ARG A 82 12.239 10.793 -4.309 1.00 0.00 O ATOM 1089 CB ARG A 82 10.879 9.442 -6.940 1.00 0.00 C ATOM 1090 CG ARG A 82 12.101 10.212 -7.409 1.00 0.00 C ATOM 1091 CD ARG A 82 12.359 10.000 -8.892 1.00 0.00 C ATOM 1092 NE ARG A 82 11.458 10.797 -9.725 1.00 0.00 N ATOM 1093 CZ ARG A 82 11.113 10.473 -10.974 1.00 0.00 C ATOM 1094 NH1 ARG A 82 11.577 9.362 -11.537 1.00 0.00 N ATOM 1095 NH2 ARG A 82 10.296 11.257 -11.666 1.00 0.00 N ATOM 0 H ARG A 82 10.190 11.772 -6.153 1.00 0.00 H new ATOM 0 HA ARG A 82 9.695 9.047 -5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.095 8.375 -6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.057 9.631 -7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.960 11.275 -7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.973 9.894 -6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.392 10.262 -9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.237 8.944 -9.134 1.00 0.00 H new ATOM 0 HE ARG A 82 11.070 11.652 -9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.202 8.748 -11.015 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.308 9.123 -12.491 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.929 12.110 -11.244 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.035 11.006 -12.620 1.00 0.00 H new ATOM 1109 N TRP A 83 11.893 8.603 -4.001 1.00 0.00 N ATOM 1110 CA TRP A 83 12.994 8.471 -3.062 1.00 0.00 C ATOM 1111 C TRP A 83 14.148 7.694 -3.686 1.00 0.00 C ATOM 1112 O TRP A 83 15.258 8.212 -3.827 1.00 0.00 O ATOM 1113 CB TRP A 83 12.516 7.770 -1.793 1.00 0.00 C ATOM 1114 CG TRP A 83 13.414 7.992 -0.612 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.623 7.405 -0.373 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.166 8.867 0.494 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.137 7.858 0.816 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.262 8.757 1.367 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.122 9.731 0.831 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.342 9.478 2.556 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.203 10.449 2.009 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.307 10.318 2.860 1.00 0.00 C ATOM 0 H TRP A 83 11.383 7.739 -4.183 1.00 0.00 H new ATOM 0 HA TRP A 83 13.351 9.469 -2.807 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.514 8.122 -1.549 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.440 6.700 -1.985 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.104 6.690 -1.024 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.027 7.572 1.224 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.265 9.836 0.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.192 9.377 3.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.402 11.122 2.277 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.342 10.892 3.774 1.00 0.00 H new ATOM 1133 N GLY A 84 13.884 6.449 -4.051 1.00 0.00 N ATOM 1134 CA GLY A 84 14.908 5.617 -4.650 1.00 0.00 C ATOM 1135 C GLY A 84 14.419 4.199 -4.878 1.00 0.00 C ATOM 1136 O GLY A 84 13.294 3.869 -4.508 1.00 0.00 O ATOM 0 H GLY A 84 12.976 5.998 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.220 6.051 -5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.786 5.599 -4.004 1.00 0.00 H new ATOM 1140 N THR A 85 15.253 3.365 -5.483 1.00 0.00 N ATOM 1141 CA THR A 85 14.888 1.980 -5.753 1.00 0.00 C ATOM 1142 C THR A 85 14.983 1.129 -4.488 1.00 0.00 C ATOM 1143 O THR A 85 16.023 1.088 -3.832 1.00 0.00 O ATOM 1144 CB THR A 85 15.790 1.375 -6.845 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.001 2.339 -7.884 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.163 0.122 -7.436 1.00 0.00 C ATOM 0 H THR A 85 16.189 3.623 -5.797 1.00 0.00 H new ATOM 0 HA THR A 85 13.856 1.980 -6.103 1.00 0.00 H new ATOM 0 HB THR A 85 16.743 1.104 -6.391 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.576 1.953 -8.577 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.820 -0.286 -8.205 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.021 -0.619 -6.650 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.198 0.372 -7.878 1.00 0.00 H new ATOM 1154 N VAL A 86 13.891 0.459 -4.147 1.00 0.00 N ATOM 1155 CA VAL A 86 13.849 -0.394 -2.967 1.00 0.00 C ATOM 1156 C VAL A 86 13.765 -1.857 -3.385 1.00 0.00 C ATOM 1157 O VAL A 86 12.942 -2.227 -4.228 1.00 0.00 O ATOM 1158 CB VAL A 86 12.649 -0.060 -2.054 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.710 -0.871 -0.765 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.610 1.430 -1.747 1.00 0.00 C ATOM 0 H VAL A 86 13.018 0.490 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 86 14.765 -0.214 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 86 11.733 -0.327 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.855 -0.620 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.686 -1.934 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.632 -0.639 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.758 1.647 -1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.531 1.722 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.513 1.991 -2.677 1.00 0.00 H new ATOM 1170 N ASP A 87 14.606 -2.688 -2.798 1.00 0.00 N ATOM 1171 CA ASP A 87 14.616 -4.102 -3.129 1.00 0.00 C ATOM 1172 C ASP A 87 14.148 -4.945 -1.952 1.00 0.00 C ATOM 1173 O ASP A 87 14.652 -4.808 -0.838 1.00 0.00 O ATOM 1174 CB ASP A 87 16.015 -4.541 -3.556 1.00 0.00 C ATOM 1175 CG ASP A 87 16.074 -6.022 -3.845 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.689 -6.424 -4.959 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.487 -6.794 -2.954 1.00 0.00 O ATOM 0 H ASP A 87 15.289 -2.411 -2.093 1.00 0.00 H new ATOM 0 HA ASP A 87 13.925 -4.254 -3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.315 -3.985 -4.444 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.729 -4.295 -2.770 1.00 0.00 H new ATOM 1182 N CYS A 88 13.185 -5.819 -2.204 1.00 0.00 N ATOM 1183 CA CYS A 88 12.657 -6.687 -1.167 1.00 0.00 C ATOM 1184 C CYS A 88 13.064 -8.136 -1.428 1.00 0.00 C ATOM 1185 O CYS A 88 12.365 -9.072 -1.038 1.00 0.00 O ATOM 1186 CB CYS A 88 11.130 -6.562 -1.083 1.00 0.00 C ATOM 1187 SG CYS A 88 10.555 -4.979 -0.381 1.00 0.00 S ATOM 0 H CYS A 88 12.754 -5.945 -3.120 1.00 0.00 H new ATOM 0 HA CYS A 88 13.077 -6.377 -0.210 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.710 -6.679 -2.082 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.741 -7.380 -0.476 1.00 0.00 H new ATOM 1192 N THR A 89 14.196 -8.319 -2.101 1.00 0.00 N ATOM 1193 CA THR A 89 14.696 -9.654 -2.383 1.00 0.00 C ATOM 1194 C THR A 89 15.465 -10.172 -1.174 1.00 0.00 C ATOM 1195 O THR A 89 15.393 -11.352 -0.826 1.00 0.00 O ATOM 1196 CB THR A 89 15.609 -9.673 -3.627 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.014 -8.913 -4.689 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.843 -11.099 -4.098 1.00 0.00 C ATOM 0 H THR A 89 14.779 -7.562 -2.458 1.00 0.00 H new ATOM 0 HA THR A 89 13.841 -10.298 -2.589 1.00 0.00 H new ATOM 0 HB THR A 89 16.566 -9.228 -3.353 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.598 -8.161 -4.920 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.489 -11.091 -4.976 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.319 -11.671 -3.302 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.889 -11.559 -4.354 1.00 0.00 H new ATOM 1206 N THR A 90 16.186 -9.271 -0.525 1.00 0.00 N ATOM 1207 CA THR A 90 16.957 -9.616 0.655 1.00 0.00 C ATOM 1208 C THR A 90 16.379 -8.908 1.882 1.00 0.00 C ATOM 1209 O THR A 90 17.030 -8.791 2.923 1.00 0.00 O ATOM 1210 CB THR A 90 18.451 -9.256 0.471 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.234 -9.812 1.537 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.663 -7.748 0.409 1.00 0.00 C ATOM 0 H THR A 90 16.252 -8.291 -0.799 1.00 0.00 H new ATOM 0 HA THR A 90 16.892 -10.694 0.805 1.00 0.00 H new ATOM 0 HB THR A 90 18.775 -9.683 -0.478 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.798 -9.625 2.395 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.724 -7.535 0.279 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.105 -7.336 -0.432 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.312 -7.293 1.335 1.00 0.00 H new ATOM 1220 N ALA A 91 15.139 -8.465 1.753 1.00 0.00 N ATOM 1221 CA ALA A 91 14.451 -7.771 2.827 1.00 0.00 C ATOM 1222 C ALA A 91 12.980 -8.157 2.841 1.00 0.00 C ATOM 1223 O ALA A 91 12.481 -8.748 1.885 1.00 0.00 O ATOM 1224 CB ALA A 91 14.604 -6.266 2.664 1.00 0.00 C ATOM 0 H ALA A 91 14.584 -8.576 0.905 1.00 0.00 H new ATOM 0 HA ALA A 91 14.897 -8.063 3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.084 -5.757 3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.661 -6.003 2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.177 -5.958 1.710 1.00 0.00 H new ATOM 1230 N ALA A 92 12.292 -7.826 3.920 1.00 0.00 N ATOM 1231 CA ALA A 92 10.877 -8.139 4.043 1.00 0.00 C ATOM 1232 C ALA A 92 10.023 -6.957 3.597 1.00 0.00 C ATOM 1233 O ALA A 92 10.101 -5.872 4.173 1.00 0.00 O ATOM 1234 CB ALA A 92 10.547 -8.528 5.477 1.00 0.00 C ATOM 0 H ALA A 92 12.689 -7.340 4.724 1.00 0.00 H new ATOM 0 HA ALA A 92 10.651 -8.984 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.485 -8.760 5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.132 -9.403 5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.788 -7.700 6.143 1.00 0.00 H new ATOM 1240 N CYS A 93 9.222 -7.171 2.562 1.00 0.00 N ATOM 1241 CA CYS A 93 8.351 -6.128 2.041 1.00 0.00 C ATOM 1242 C CYS A 93 7.059 -6.061 2.857 1.00 0.00 C ATOM 1243 O CYS A 93 6.801 -6.921 3.699 1.00 0.00 O ATOM 1244 CB CYS A 93 8.032 -6.397 0.566 1.00 0.00 C ATOM 1245 SG CYS A 93 8.532 -5.057 -0.566 1.00 0.00 S ATOM 0 H CYS A 93 9.158 -8.060 2.066 1.00 0.00 H new ATOM 0 HA CYS A 93 8.864 -5.170 2.121 1.00 0.00 H new ATOM 0 HB2 CYS A 93 8.528 -7.318 0.261 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.960 -6.563 0.463 1.00 0.00 H new ATOM 1250 N GLN A 94 6.248 -5.045 2.612 1.00 0.00 N ATOM 1251 CA GLN A 94 4.993 -4.889 3.328 1.00 0.00 C ATOM 1252 C GLN A 94 3.989 -4.130 2.477 1.00 0.00 C ATOM 1253 O GLN A 94 4.332 -3.626 1.406 1.00 0.00 O ATOM 1254 CB GLN A 94 5.213 -4.176 4.664 1.00 0.00 C ATOM 1255 CG GLN A 94 5.950 -2.856 4.553 1.00 0.00 C ATOM 1256 CD GLN A 94 5.836 -2.037 5.816 1.00 0.00 C ATOM 1257 OE1 GLN A 94 6.636 -2.185 6.737 1.00 0.00 O ATOM 1258 NE2 GLN A 94 4.846 -1.164 5.864 1.00 0.00 N ATOM 0 H GLN A 94 6.436 -4.317 1.923 1.00 0.00 H new ATOM 0 HA GLN A 94 4.592 -5.881 3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.245 -4.000 5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.772 -4.836 5.327 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.002 -3.045 4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.550 -2.287 3.714 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.205 -1.075 5.075 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.722 -0.578 6.690 1.00 0.00 H new ATOM 1267 N VAL A 95 2.754 -4.057 2.952 1.00 0.00 N ATOM 1268 CA VAL A 95 1.690 -3.371 2.229 1.00 0.00 C ATOM 1269 C VAL A 95 1.218 -2.146 3.004 1.00 0.00 C ATOM 1270 O VAL A 95 1.077 -2.193 4.230 1.00 0.00 O ATOM 1271 CB VAL A 95 0.484 -4.309 1.987 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.478 -3.709 0.969 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.950 -5.688 1.540 1.00 0.00 C ATOM 0 H VAL A 95 2.462 -4.466 3.839 1.00 0.00 H new ATOM 0 HA VAL A 95 2.098 -3.061 1.267 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.049 -4.420 2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.317 -4.388 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.848 -2.752 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.042 -3.557 0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.084 -6.329 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.515 -5.598 0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.585 -6.125 2.311 1.00 0.00 H new ATOM 1283 N GLY A 96 0.976 -1.048 2.293 1.00 0.00 N ATOM 1284 CA GLY A 96 0.522 0.166 2.932 1.00 0.00 C ATOM 1285 C GLY A 96 -0.697 0.755 2.257 1.00 0.00 C ATOM 1286 O GLY A 96 -0.843 0.661 1.037 1.00 0.00 O ATOM 0 H GLY A 96 1.088 -0.982 1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.290 -0.042 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.328 0.900 2.924 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.570 1.359 3.052 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.786 1.970 2.534 1.00 0.00 C ATOM 1292 C LEU A 97 -3.183 3.173 3.388 1.00 0.00 C ATOM 1293 O LEU A 97 -3.211 3.087 4.618 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.934 0.954 2.495 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.305 0.323 3.839 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -5.815 0.250 3.990 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.697 -1.064 3.970 1.00 0.00 C ATOM 0 H LEU A 97 -1.457 1.439 4.063 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.588 2.307 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.818 1.447 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.666 0.157 1.801 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.902 0.952 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.063 -0.201 4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.234 1.255 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.232 -0.356 3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.974 -1.493 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.069 -1.702 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.611 -0.993 3.903 1.00 0.00 H new ATOM 1309 N SER A 98 -3.463 4.296 2.742 1.00 0.00 N ATOM 1310 CA SER A 98 -3.862 5.511 3.446 1.00 0.00 C ATOM 1311 C SER A 98 -4.685 6.413 2.534 1.00 0.00 C ATOM 1312 O SER A 98 -4.721 6.211 1.323 1.00 0.00 O ATOM 1313 CB SER A 98 -2.634 6.272 3.950 1.00 0.00 C ATOM 1314 OG SER A 98 -1.822 5.445 4.767 1.00 0.00 O ATOM 0 H SER A 98 -3.422 4.393 1.727 1.00 0.00 H new ATOM 0 HA SER A 98 -4.472 5.219 4.301 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.053 6.634 3.102 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.952 7.148 4.516 1.00 0.00 H new ATOM 0 HG SER A 98 -1.043 5.953 5.075 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.355 7.398 3.121 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.163 8.337 2.355 1.00 0.00 C ATOM 1322 C ASP A 99 -5.284 9.440 1.765 1.00 0.00 C ATOM 1323 O ASP A 99 -4.061 9.401 1.893 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.260 8.946 3.240 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.792 10.169 4.006 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.855 10.047 4.820 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.355 11.263 3.786 1.00 0.00 O ATOM 0 H ASP A 99 -5.354 7.567 4.127 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.638 7.796 1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.112 9.218 2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.609 8.193 3.947 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.914 10.421 1.127 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.194 11.535 0.513 1.00 0.00 C ATOM 1334 C ALA A 100 -4.375 12.328 1.533 1.00 0.00 C ATOM 1335 O ALA A 100 -3.317 12.870 1.200 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.163 12.451 -0.208 1.00 0.00 C ATOM 0 H ALA A 100 -6.927 10.468 1.021 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.493 11.111 -0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.614 13.277 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.683 11.891 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.889 12.845 0.503 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.869 12.411 2.764 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.169 13.131 3.818 1.00 0.00 C ATOM 1344 C ALA A 101 -2.986 12.317 4.325 1.00 0.00 C ATOM 1345 O ALA A 101 -1.914 12.857 4.600 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.116 13.463 4.963 1.00 0.00 C ATOM 0 H ALA A 101 -5.751 11.988 3.055 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.793 14.066 3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.573 14.001 5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.931 14.085 4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.523 12.541 5.377 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.185 11.013 4.440 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.121 10.147 4.899 1.00 0.00 C ATOM 1354 C GLY A 102 -2.496 9.369 6.142 1.00 0.00 C ATOM 1355 O GLY A 102 -1.627 8.990 6.927 1.00 0.00 O ATOM 0 H GLY A 102 -4.063 10.540 4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.858 9.449 4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.234 10.746 5.104 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.788 9.134 6.324 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.279 8.393 7.481 1.00 0.00 C ATOM 1361 C ASN A 103 -5.114 7.202 7.030 1.00 0.00 C ATOM 1362 O ASN A 103 -5.401 7.048 5.842 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.112 9.301 8.392 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.281 9.987 9.462 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.277 9.452 9.929 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.700 11.176 9.864 1.00 0.00 N ATOM 0 H ASN A 103 -4.518 9.446 5.684 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.419 8.031 8.044 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.610 10.057 7.785 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.893 8.710 8.869 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.185 11.681 10.585 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.538 11.587 9.453 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.490 6.357 7.978 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.288 5.191 7.667 1.00 0.00 C ATOM 1375 C GLY A 104 -5.851 3.979 8.460 1.00 0.00 C ATOM 1376 O GLY A 104 -5.072 4.110 9.406 1.00 0.00 O ATOM 0 H GLY A 104 -5.254 6.460 8.965 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.337 5.403 7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.213 4.974 6.601 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.332 2.778 8.095 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.980 1.534 8.790 1.00 0.00 C ATOM 1382 C PRO A 105 -4.471 1.308 8.849 1.00 0.00 C ATOM 1383 O PRO A 105 -3.729 1.765 7.976 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.653 0.450 7.942 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.765 1.152 7.246 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.256 2.537 6.970 1.00 0.00 C ATOM 0 HA PRO A 105 -6.305 1.542 9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.953 0.013 7.230 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.026 -0.364 8.563 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.033 0.641 6.321 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.661 1.180 7.866 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.746 2.596 6.008 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.065 3.268 6.947 1.00 0.00 H new ATOM 1394 N GLU A 106 -4.023 0.616 9.888 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.607 0.333 10.075 1.00 0.00 C ATOM 1396 C GLU A 106 -2.086 -0.597 8.986 1.00 0.00 C ATOM 1397 O GLU A 106 -2.830 -1.427 8.457 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.378 -0.290 11.450 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.160 0.253 12.175 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.885 -0.474 13.472 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.519 -0.141 14.495 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.027 -1.380 13.477 1.00 0.00 O ATOM 0 H GLU A 106 -4.625 0.238 10.619 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.059 1.273 10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.261 -0.121 12.066 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.270 -1.369 11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.289 0.172 11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.307 1.313 12.381 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.811 -0.447 8.655 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.200 -1.270 7.633 1.00 0.00 C ATOM 1411 C GLY A 107 0.092 -2.675 8.119 1.00 0.00 C ATOM 1412 O GLY A 107 -0.033 -2.967 9.313 1.00 0.00 O ATOM 0 H GLY A 107 -0.185 0.236 9.081 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.860 -1.318 6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.728 -0.803 7.301 1.00 0.00 H new ATOM 1416 N VAL A 108 0.479 -3.546 7.196 1.00 0.00 N ATOM 1417 CA VAL A 108 0.780 -4.934 7.528 1.00 0.00 C ATOM 1418 C VAL A 108 2.059 -5.391 6.830 1.00 0.00 C ATOM 1419 O VAL A 108 2.224 -5.183 5.624 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.376 -5.882 7.123 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.046 -7.326 7.475 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.682 -5.463 7.784 1.00 0.00 C ATOM 0 H VAL A 108 0.592 -3.316 6.209 1.00 0.00 H new ATOM 0 HA VAL A 108 0.912 -4.980 8.609 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.499 -5.811 6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.874 -7.971 7.180 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.858 -7.632 6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.115 -7.411 8.550 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.477 -6.145 7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.568 -5.494 8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.937 -4.449 7.475 1.00 0.00 H new ATOM 1432 N ALA A 109 2.958 -6.008 7.588 1.00 0.00 N ATOM 1433 CA ALA A 109 4.210 -6.501 7.037 1.00 0.00 C ATOM 1434 C ALA A 109 4.053 -7.946 6.583 1.00 0.00 C ATOM 1435 O ALA A 109 3.358 -8.735 7.231 1.00 0.00 O ATOM 1436 CB ALA A 109 5.328 -6.379 8.058 1.00 0.00 C ATOM 0 H ALA A 109 2.841 -6.178 8.587 1.00 0.00 H new ATOM 0 HA ALA A 109 4.472 -5.892 6.172 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.257 -6.753 7.627 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.453 -5.333 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.078 -6.964 8.943 1.00 0.00 H new ATOM 1442 N ILE A 110 4.694 -8.289 5.472 1.00 0.00 N ATOM 1443 CA ILE A 110 4.605 -9.635 4.925 1.00 0.00 C ATOM 1444 C ILE A 110 5.990 -10.200 4.636 1.00 0.00 C ATOM 1445 O ILE A 110 7.005 -9.541 4.857 1.00 0.00 O ATOM 1446 CB ILE A 110 3.770 -9.664 3.622 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.425 -8.788 2.550 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.348 -9.202 3.890 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.692 -8.780 1.224 1.00 0.00 C ATOM 0 H ILE A 110 5.281 -7.652 4.933 1.00 0.00 H new ATOM 0 HA ILE A 110 4.111 -10.249 5.678 1.00 0.00 H new ATOM 0 HB ILE A 110 3.734 -10.690 3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.491 -7.766 2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.445 -9.135 2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.776 -9.229 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.883 -9.862 4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.363 -8.183 4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.220 -8.137 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.648 -9.794 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.680 -8.404 1.370 1.00 0.00 H new ATOM 1461 N SER A 111 6.029 -11.430 4.158 1.00 0.00 N ATOM 1462 CA SER A 111 7.282 -12.086 3.824 1.00 0.00 C ATOM 1463 C SER A 111 7.048 -13.134 2.742 1.00 0.00 C ATOM 1464 O SER A 111 5.986 -13.752 2.693 1.00 0.00 O ATOM 1465 CB SER A 111 7.890 -12.741 5.068 1.00 0.00 C ATOM 1466 OG SER A 111 8.083 -11.793 6.110 1.00 0.00 O ATOM 0 H SER A 111 5.200 -12.000 3.991 1.00 0.00 H new ATOM 0 HA SER A 111 7.980 -11.337 3.449 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.236 -13.540 5.417 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.844 -13.200 4.810 1.00 0.00 H new ATOM 0 HG SER A 111 8.471 -12.240 6.891 1.00 0.00 H new ATOM 1472 N PHE A 112 8.031 -13.317 1.873 1.00 0.00 N ATOM 1473 CA PHE A 112 7.927 -14.295 0.800 1.00 0.00 C ATOM 1474 C PHE A 112 8.593 -15.594 1.230 1.00 0.00 C ATOM 1475 O PHE A 112 9.479 -15.584 2.088 1.00 0.00 O ATOM 1476 CB PHE A 112 8.588 -13.772 -0.484 1.00 0.00 C ATOM 1477 CG PHE A 112 8.252 -12.342 -0.813 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.127 -12.030 -1.557 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.072 -11.310 -0.381 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.823 -10.717 -1.863 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.773 -9.997 -0.681 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.649 -9.698 -1.423 1.00 0.00 C ATOM 0 H PHE A 112 8.910 -12.801 1.890 1.00 0.00 H new ATOM 0 HA PHE A 112 6.872 -14.473 0.594 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.670 -13.866 -0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.287 -14.405 -1.318 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.479 -12.822 -1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.955 -11.537 0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.942 -10.487 -2.444 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.419 -9.203 -0.335 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.414 -8.671 -1.660 1.00 0.00 H new ATOM 1492 N ASN A 113 8.171 -16.709 0.648 1.00 0.00 N ATOM 1493 CA ASN A 113 8.750 -18.003 0.996 1.00 0.00 C ATOM 1494 C ASN A 113 10.202 -18.066 0.545 1.00 0.00 C ATOM 1495 O ASN A 113 11.029 -18.659 1.270 1.00 0.00 O ATOM 1496 CB ASN A 113 7.950 -19.167 0.385 1.00 0.00 C ATOM 1497 CG ASN A 113 7.866 -19.102 -1.128 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.796 -19.487 -1.836 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.732 -18.643 -1.632 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.520 -17.502 -0.522 1.00 0.00 O ATOM 0 H ASN A 113 7.438 -16.746 -0.060 1.00 0.00 H new ATOM 0 HA ASN A 113 8.706 -18.106 2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.412 -20.110 0.677 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.942 -19.164 0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.604 -18.599 -2.643 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.986 -18.334 -1.010 1.00 0.00 H new