USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 924 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 46 MET CE :methyl 164:sc= -0.175 (180deg=-0.213) USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.0453 X(o=-0.22,f=-0.72) USER MOD Set 2.1: A 61 SER OG : rot 160:sc= -1.11 USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 58 MET CE :methyl -166:sc= -3.23 (180deg=-3.84!) USER MOD Set 3.2: A 68 LYS NZ :NH3+ -118:sc= -2.44! (180deg=-3.42!) USER MOD Set 4.1: A 20 GLN :FLIP amide:sc= -1.08 F(o=-3.9!,f=-1.1) USER MOD Set 4.2: B 18 LYS NZ :NH3+ 180:sc=-0.000607 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -161:sc= 0 (180deg=-0.126) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00108 USER MOD Single : A 8 THR OG1 : rot 140:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 136:sc= -2.67! (180deg=-6.42!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.153 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 23 MET CE :methyl -139:sc= -5.1! (180deg=-9.87!) USER MOD Single : A 33 GLN : amide:sc= -0.0426 K(o=-0.043,f=-1.5) USER MOD Single : A 35 MET CE :methyl 136:sc= -6.54! (180deg=-14.5!) USER MOD Single : A 36 HIS : no HD1:sc= -1.85! C(o=-1.9!,f=-2.5!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.17) USER MOD Single : A 44 THR OG1 : rot 96:sc= -6.01! USER MOD Single : A 52 ASN :FLIP amide:sc= -1.78! C(o=-4.6!,f=-1.8!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.64) USER MOD Single : A 80 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.0065) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.493 X(o=-0.49,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0135 K(o=-0.014,f=-0.97) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 VAL N :NH3+ -161:sc= -0.197 (180deg=-0.663) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0.0736 USER MOD Single : B 5 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 7 ASN :FLIP amide:sc= -0.254 F(o=-2.5!,f=-0.25) USER MOD Single : B 9 ASN : amide:sc= -0.0826 K(o=-0.083,f=-1.9!) USER MOD Single : B 11 LYS NZ :NH3+ -154:sc= 0.41 (180deg=0.17) USER MOD Single : B 19 TYR OH : rot 165:sc= 0 USER MOD Single : B 21 ASN : amide:sc= -0.0577 X(o=-0.058,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.069 -21.109 -6.611 1.00 0.00 N ATOM 2 CA GLY A 1 -8.623 -20.954 -8.022 1.00 0.00 C ATOM 3 C GLY A 1 -9.142 -19.676 -8.659 1.00 0.00 C ATOM 4 O GLY A 1 -8.386 -18.722 -8.839 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.455 -21.794 -6.126 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.014 -20.190 -6.127 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.051 -21.451 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.534 -20.958 -8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.964 -21.811 -8.604 1.00 0.00 H new ATOM 10 N PRO A 2 -10.440 -19.627 -9.014 1.00 0.00 N ATOM 11 CA PRO A 2 -11.045 -18.443 -9.639 1.00 0.00 C ATOM 12 C PRO A 2 -10.874 -17.188 -8.789 1.00 0.00 C ATOM 13 O PRO A 2 -10.508 -16.128 -9.297 1.00 0.00 O ATOM 14 CB PRO A 2 -12.528 -18.811 -9.755 1.00 0.00 C ATOM 15 CG PRO A 2 -12.557 -20.301 -9.725 1.00 0.00 C ATOM 16 CD PRO A 2 -11.416 -20.718 -8.842 1.00 0.00 C ATOM 0 HA PRO A 2 -10.577 -18.208 -10.595 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.105 -18.388 -8.933 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.960 -18.426 -10.679 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.507 -20.665 -9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.446 -20.714 -10.728 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.728 -20.819 -7.802 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.002 -21.680 -9.146 1.00 0.00 H new ATOM 24 N LEU A 3 -11.143 -17.316 -7.494 1.00 0.00 N ATOM 25 CA LEU A 3 -11.020 -16.192 -6.572 1.00 0.00 C ATOM 26 C LEU A 3 -9.651 -16.189 -5.898 1.00 0.00 C ATOM 27 O LEU A 3 -9.492 -15.661 -4.797 1.00 0.00 O ATOM 28 CB LEU A 3 -12.126 -16.254 -5.513 1.00 0.00 C ATOM 29 CG LEU A 3 -13.335 -15.350 -5.773 1.00 0.00 C ATOM 30 CD1 LEU A 3 -12.929 -13.884 -5.716 1.00 0.00 C ATOM 31 CD2 LEU A 3 -13.974 -15.678 -7.115 1.00 0.00 C ATOM 0 H LEU A 3 -11.448 -18.187 -7.059 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.124 -15.269 -7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -12.474 -17.284 -5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.696 -15.989 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 3 -14.072 -15.532 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.801 -13.257 -5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.524 -13.657 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.171 -13.687 -6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.831 -15.024 -7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.245 -15.528 -7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.305 -16.717 -7.116 1.00 0.00 H new ATOM 43 N GLY A 4 -8.667 -16.782 -6.567 1.00 0.00 N ATOM 44 CA GLY A 4 -7.325 -16.840 -6.018 1.00 0.00 C ATOM 45 C GLY A 4 -6.545 -15.560 -6.247 1.00 0.00 C ATOM 46 O GLY A 4 -5.622 -15.247 -5.496 1.00 0.00 O ATOM 0 H GLY A 4 -8.775 -17.224 -7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.383 -17.039 -4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.788 -17.674 -6.469 1.00 0.00 H new ATOM 50 N SER A 5 -6.917 -14.820 -7.286 1.00 0.00 N ATOM 51 CA SER A 5 -6.245 -13.567 -7.613 1.00 0.00 C ATOM 52 C SER A 5 -6.745 -12.431 -6.720 1.00 0.00 C ATOM 53 O SER A 5 -7.898 -12.015 -6.823 1.00 0.00 O ATOM 54 CB SER A 5 -6.473 -13.211 -9.083 1.00 0.00 C ATOM 55 OG SER A 5 -6.637 -14.376 -9.872 1.00 0.00 O ATOM 0 H SER A 5 -7.680 -15.066 -7.916 1.00 0.00 H new ATOM 0 HA SER A 5 -5.177 -13.700 -7.439 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.357 -12.579 -9.174 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.628 -12.632 -9.455 1.00 0.00 H new ATOM 0 HG SER A 5 -6.783 -14.120 -10.807 1.00 0.00 H new ATOM 61 N PRO A 6 -5.876 -11.907 -5.834 1.00 0.00 N ATOM 62 CA PRO A 6 -6.239 -10.814 -4.921 1.00 0.00 C ATOM 63 C PRO A 6 -6.618 -9.539 -5.667 1.00 0.00 C ATOM 64 O PRO A 6 -5.776 -8.673 -5.906 1.00 0.00 O ATOM 65 CB PRO A 6 -4.966 -10.589 -4.095 1.00 0.00 C ATOM 66 CG PRO A 6 -4.163 -11.833 -4.265 1.00 0.00 C ATOM 67 CD PRO A 6 -4.482 -12.342 -5.639 1.00 0.00 C ATOM 0 HA PRO A 6 -7.112 -11.066 -4.318 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -4.418 -9.715 -4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -5.204 -10.414 -3.046 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.098 -11.628 -4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.420 -12.571 -3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -3.817 -11.918 -6.392 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.384 -13.426 -5.701 1.00 0.00 H new ATOM 75 N LEU A 7 -7.891 -9.431 -6.036 1.00 0.00 N ATOM 76 CA LEU A 7 -8.383 -8.261 -6.754 1.00 0.00 C ATOM 77 C LEU A 7 -9.113 -7.311 -5.811 1.00 0.00 C ATOM 78 O LEU A 7 -10.188 -7.629 -5.305 1.00 0.00 O ATOM 79 CB LEU A 7 -9.314 -8.689 -7.889 1.00 0.00 C ATOM 80 CG LEU A 7 -8.650 -9.521 -8.988 1.00 0.00 C ATOM 81 CD1 LEU A 7 -9.569 -10.650 -9.430 1.00 0.00 C ATOM 82 CD2 LEU A 7 -8.276 -8.639 -10.171 1.00 0.00 C ATOM 0 H LEU A 7 -8.600 -10.140 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.526 -7.736 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.138 -9.264 -7.466 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.747 -7.796 -8.341 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.737 -9.960 -8.586 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.081 -11.232 -10.212 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.787 -11.296 -8.580 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.499 -10.232 -9.816 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.805 -9.247 -10.943 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.174 -8.172 -10.575 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.581 -7.866 -9.843 1.00 0.00 H new ATOM 94 N THR A 8 -8.544 -6.125 -5.618 1.00 0.00 N ATOM 95 CA THR A 8 -9.132 -5.126 -4.737 1.00 0.00 C ATOM 96 C THR A 8 -10.124 -4.262 -5.501 1.00 0.00 C ATOM 97 O THR A 8 -11.145 -3.846 -4.955 1.00 0.00 O ATOM 98 CB THR A 8 -8.039 -4.252 -4.122 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.603 -3.287 -3.249 1.00 0.00 O ATOM 100 CG2 THR A 8 -7.210 -3.514 -5.151 1.00 0.00 C ATOM 0 H THR A 8 -7.673 -5.833 -6.062 1.00 0.00 H new ATOM 0 HA THR A 8 -9.662 -5.641 -3.936 1.00 0.00 H new ATOM 0 HB THR A 8 -7.387 -4.940 -3.584 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.038 -3.195 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.454 -2.913 -4.646 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.722 -4.233 -5.809 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.856 -2.863 -5.740 1.00 0.00 H new ATOM 108 N ALA A 9 -9.831 -4.014 -6.776 1.00 0.00 N ATOM 109 CA ALA A 9 -10.738 -3.252 -7.623 1.00 0.00 C ATOM 110 C ALA A 9 -12.084 -3.958 -7.687 1.00 0.00 C ATOM 111 O ALA A 9 -13.139 -3.321 -7.695 1.00 0.00 O ATOM 112 CB ALA A 9 -10.154 -3.079 -9.016 1.00 0.00 C ATOM 0 H ALA A 9 -8.979 -4.328 -7.240 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.877 -2.259 -7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.847 -2.507 -9.633 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.205 -2.548 -8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.991 -4.058 -9.466 1.00 0.00 H new ATOM 118 N SER A 10 -12.033 -5.288 -7.694 1.00 0.00 N ATOM 119 CA SER A 10 -13.239 -6.098 -7.690 1.00 0.00 C ATOM 120 C SER A 10 -13.943 -5.965 -6.348 1.00 0.00 C ATOM 121 O SER A 10 -15.172 -5.924 -6.282 1.00 0.00 O ATOM 122 CB SER A 10 -12.898 -7.563 -7.968 1.00 0.00 C ATOM 123 OG SER A 10 -14.042 -8.283 -8.396 1.00 0.00 O ATOM 0 H SER A 10 -11.165 -5.824 -7.702 1.00 0.00 H new ATOM 0 HA SER A 10 -13.905 -5.745 -8.477 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.122 -7.620 -8.732 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.492 -8.022 -7.067 1.00 0.00 H new ATOM 0 HG SER A 10 -13.796 -9.216 -8.568 1.00 0.00 H new ATOM 129 N MET A 11 -13.152 -5.851 -5.282 1.00 0.00 N ATOM 130 CA MET A 11 -13.707 -5.669 -3.947 1.00 0.00 C ATOM 131 C MET A 11 -14.443 -4.341 -3.868 1.00 0.00 C ATOM 132 O MET A 11 -15.476 -4.234 -3.212 1.00 0.00 O ATOM 133 CB MET A 11 -12.608 -5.704 -2.885 1.00 0.00 C ATOM 134 CG MET A 11 -11.701 -6.921 -2.981 1.00 0.00 C ATOM 135 SD MET A 11 -11.242 -7.578 -1.367 1.00 0.00 S ATOM 136 CE MET A 11 -9.873 -6.504 -0.935 1.00 0.00 C ATOM 0 H MET A 11 -12.133 -5.881 -5.318 1.00 0.00 H new ATOM 0 HA MET A 11 -14.401 -6.487 -3.756 1.00 0.00 H new ATOM 0 HB2 MET A 11 -12.002 -4.803 -2.973 1.00 0.00 H new ATOM 0 HB3 MET A 11 -13.069 -5.683 -1.897 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.204 -7.699 -3.555 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.798 -6.653 -3.530 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.968 -6.194 0.106 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.933 -7.040 -1.070 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.884 -5.624 -1.578 1.00 0.00 H new ATOM 146 N LEU A 12 -13.909 -3.338 -4.561 1.00 0.00 N ATOM 147 CA LEU A 12 -14.522 -2.017 -4.594 1.00 0.00 C ATOM 148 C LEU A 12 -15.988 -2.131 -4.989 1.00 0.00 C ATOM 149 O LEU A 12 -16.868 -1.578 -4.330 1.00 0.00 O ATOM 150 CB LEU A 12 -13.785 -1.118 -5.590 1.00 0.00 C ATOM 151 CG LEU A 12 -12.843 -0.078 -4.974 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.799 -0.745 -4.091 1.00 0.00 C ATOM 153 CD2 LEU A 12 -12.170 0.734 -6.069 1.00 0.00 C ATOM 0 H LEU A 12 -13.051 -3.418 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.454 -1.575 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.207 -1.751 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.525 -0.597 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.435 0.593 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.143 0.015 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.296 -1.287 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.209 -1.441 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.503 1.470 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.595 0.069 -6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.929 1.246 -6.661 1.00 0.00 H new ATOM 165 N ALA A 13 -16.239 -2.879 -6.058 1.00 0.00 N ATOM 166 CA ALA A 13 -17.595 -3.108 -6.531 1.00 0.00 C ATOM 167 C ALA A 13 -18.394 -3.921 -5.516 1.00 0.00 C ATOM 168 O ALA A 13 -19.614 -3.785 -5.419 1.00 0.00 O ATOM 169 CB ALA A 13 -17.569 -3.819 -7.876 1.00 0.00 C ATOM 0 H ALA A 13 -15.517 -3.338 -6.613 1.00 0.00 H new ATOM 0 HA ALA A 13 -18.084 -2.141 -6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.590 -3.985 -8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -17.037 -3.204 -8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.061 -4.778 -7.771 1.00 0.00 H new ATOM 175 N SER A 14 -17.697 -4.777 -4.771 1.00 0.00 N ATOM 176 CA SER A 14 -18.342 -5.630 -3.778 1.00 0.00 C ATOM 177 C SER A 14 -18.156 -5.089 -2.362 1.00 0.00 C ATOM 178 O SER A 14 -18.295 -5.828 -1.387 1.00 0.00 O ATOM 179 CB SER A 14 -17.784 -7.052 -3.869 1.00 0.00 C ATOM 180 OG SER A 14 -16.631 -7.202 -3.058 1.00 0.00 O ATOM 0 H SER A 14 -16.686 -4.897 -4.837 1.00 0.00 H new ATOM 0 HA SER A 14 -19.410 -5.641 -3.994 1.00 0.00 H new ATOM 0 HB2 SER A 14 -18.547 -7.766 -3.557 1.00 0.00 H new ATOM 0 HB3 SER A 14 -17.536 -7.283 -4.905 1.00 0.00 H new ATOM 0 HG SER A 14 -16.295 -8.120 -3.133 1.00 0.00 H new ATOM 186 N ALA A 15 -17.872 -3.795 -2.248 1.00 0.00 N ATOM 187 CA ALA A 15 -17.676 -3.169 -0.944 1.00 0.00 C ATOM 188 C ALA A 15 -18.427 -1.837 -0.847 1.00 0.00 C ATOM 189 O ALA A 15 -17.821 -0.793 -0.605 1.00 0.00 O ATOM 190 CB ALA A 15 -16.195 -2.961 -0.678 1.00 0.00 C ATOM 0 H ALA A 15 -17.773 -3.161 -3.041 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.082 -3.838 -0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.063 -2.493 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.684 -3.924 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.774 -2.316 -1.449 1.00 0.00 H new ATOM 196 N PRO A 16 -19.765 -1.856 -1.020 1.00 0.00 N ATOM 197 CA PRO A 16 -20.588 -0.637 -0.977 1.00 0.00 C ATOM 198 C PRO A 16 -20.443 0.166 0.326 1.00 0.00 C ATOM 199 O PRO A 16 -20.253 1.382 0.277 1.00 0.00 O ATOM 200 CB PRO A 16 -22.020 -1.160 -1.137 1.00 0.00 C ATOM 201 CG PRO A 16 -21.871 -2.473 -1.825 1.00 0.00 C ATOM 202 CD PRO A 16 -20.574 -3.051 -1.332 1.00 0.00 C ATOM 0 HA PRO A 16 -20.283 0.066 -1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -22.510 -1.273 -0.170 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -22.629 -0.473 -1.724 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -22.706 -3.133 -1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -21.856 -2.347 -2.908 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -20.722 -3.677 -0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -20.097 -3.673 -2.090 1.00 0.00 H new ATOM 210 N PRO A 17 -20.551 -0.475 1.514 1.00 0.00 N ATOM 211 CA PRO A 17 -20.456 0.233 2.800 1.00 0.00 C ATOM 212 C PRO A 17 -19.073 0.834 3.042 1.00 0.00 C ATOM 213 O PRO A 17 -18.294 1.021 2.107 1.00 0.00 O ATOM 214 CB PRO A 17 -20.756 -0.851 3.845 1.00 0.00 C ATOM 215 CG PRO A 17 -21.396 -1.961 3.086 1.00 0.00 C ATOM 216 CD PRO A 17 -20.796 -1.915 1.712 1.00 0.00 C ATOM 0 HA PRO A 17 -21.143 1.078 2.837 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -19.843 -1.186 4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.418 -0.474 4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -21.206 -2.922 3.564 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -22.478 -1.834 3.045 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -19.875 -2.494 1.653 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -21.475 -2.318 0.960 1.00 0.00 H new ATOM 224 N GLN A 18 -18.798 1.169 4.302 1.00 0.00 N ATOM 225 CA GLN A 18 -17.513 1.745 4.691 1.00 0.00 C ATOM 226 C GLN A 18 -16.414 0.686 4.703 1.00 0.00 C ATOM 227 O GLN A 18 -15.704 0.528 5.697 1.00 0.00 O ATOM 228 CB GLN A 18 -17.622 2.395 6.073 1.00 0.00 C ATOM 229 CG GLN A 18 -18.503 3.634 6.098 1.00 0.00 C ATOM 230 CD GLN A 18 -18.819 4.094 7.508 1.00 0.00 C ATOM 231 OE1 GLN A 18 -18.023 3.906 8.428 1.00 0.00 O ATOM 232 NE2 GLN A 18 -19.988 4.701 7.684 1.00 0.00 N ATOM 0 H GLN A 18 -19.453 1.050 5.075 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.249 2.504 3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -18.018 1.664 6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.624 2.663 6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -18.006 4.440 5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -19.434 3.425 5.570 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -20.617 4.836 6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -20.256 5.032 8.611 1.00 0.00 H new ATOM 241 N GLU A 19 -16.275 -0.034 3.596 1.00 0.00 N ATOM 242 CA GLU A 19 -15.268 -1.070 3.481 1.00 0.00 C ATOM 243 C GLU A 19 -13.943 -0.484 3.012 1.00 0.00 C ATOM 244 O GLU A 19 -13.022 -1.220 2.661 1.00 0.00 O ATOM 245 CB GLU A 19 -15.739 -2.131 2.491 1.00 0.00 C ATOM 246 CG GLU A 19 -16.483 -3.292 3.129 1.00 0.00 C ATOM 247 CD GLU A 19 -15.623 -4.097 4.084 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.264 -3.564 5.156 1.00 0.00 O ATOM 249 OE2 GLU A 19 -15.322 -5.267 3.767 1.00 0.00 O ATOM 0 H GLU A 19 -16.853 0.085 2.764 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.119 -1.522 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.388 -1.660 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.874 -2.520 1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.351 -2.909 3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.858 -3.950 2.345 1.00 0.00 H new ATOM 256 N GLN A 20 -13.854 0.845 3.012 1.00 0.00 N ATOM 257 CA GLN A 20 -12.646 1.537 2.567 1.00 0.00 C ATOM 258 C GLN A 20 -11.398 0.904 3.168 1.00 0.00 C ATOM 259 O GLN A 20 -10.629 0.240 2.476 1.00 0.00 O ATOM 260 CB GLN A 20 -12.694 3.020 2.959 1.00 0.00 C ATOM 261 CG GLN A 20 -13.657 3.329 4.094 1.00 0.00 C ATOM 262 CD GLN A 20 -13.085 4.315 5.093 1.00 0.00 C ATOM 263 OE1 GLN A 20 -11.871 4.046 5.561 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -13.725 5.306 5.441 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.605 1.465 3.316 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.602 1.449 1.481 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.693 3.341 3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.978 3.607 2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.582 3.731 3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.914 2.404 4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.655 5.474 5.056 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.326 5.960 6.115 1.00 0.00 H new ATOM 273 N LYS A 21 -11.226 1.083 4.468 1.00 0.00 N ATOM 274 CA LYS A 21 -10.049 0.573 5.157 1.00 0.00 C ATOM 275 C LYS A 21 -9.879 -0.930 4.945 1.00 0.00 C ATOM 276 O LYS A 21 -8.798 -1.473 5.156 1.00 0.00 O ATOM 277 CB LYS A 21 -10.134 0.892 6.652 1.00 0.00 C ATOM 278 CG LYS A 21 -11.558 1.005 7.176 1.00 0.00 C ATOM 279 CD LYS A 21 -12.017 -0.286 7.834 1.00 0.00 C ATOM 280 CE LYS A 21 -13.382 -0.718 7.326 1.00 0.00 C ATOM 281 NZ LYS A 21 -14.161 -1.440 8.370 1.00 0.00 N ATOM 0 H LYS A 21 -11.886 1.578 5.068 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.175 1.067 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.612 0.115 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.611 1.829 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.618 1.822 7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.230 1.254 6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.289 -1.074 7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.057 -0.150 8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.941 0.158 6.997 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.258 -1.362 6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.086 -1.717 7.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.640 -2.290 8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.302 -0.817 9.191 1.00 0.00 H new ATOM 295 N GLN A 22 -10.951 -1.602 4.535 1.00 0.00 N ATOM 296 CA GLN A 22 -10.891 -3.036 4.264 1.00 0.00 C ATOM 297 C GLN A 22 -10.152 -3.328 2.957 1.00 0.00 C ATOM 298 O GLN A 22 -8.993 -3.745 2.965 1.00 0.00 O ATOM 299 CB GLN A 22 -12.296 -3.638 4.212 1.00 0.00 C ATOM 300 CG GLN A 22 -12.321 -5.074 3.711 1.00 0.00 C ATOM 301 CD GLN A 22 -12.357 -6.086 4.839 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.272 -6.082 5.663 1.00 0.00 O ATOM 303 NE2 GLN A 22 -11.360 -6.961 4.879 1.00 0.00 N ATOM 0 H GLN A 22 -11.867 -1.180 4.384 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.337 -3.498 5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.736 -3.601 5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.922 -3.024 3.564 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.193 -5.217 3.072 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.441 -5.255 3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.623 -6.927 4.175 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.331 -7.668 5.614 1.00 0.00 H new ATOM 312 N MET A 23 -10.853 -3.151 1.838 1.00 0.00 N ATOM 313 CA MET A 23 -10.298 -3.458 0.519 1.00 0.00 C ATOM 314 C MET A 23 -9.185 -2.490 0.115 1.00 0.00 C ATOM 315 O MET A 23 -8.015 -2.698 0.435 1.00 0.00 O ATOM 316 CB MET A 23 -11.399 -3.457 -0.556 1.00 0.00 C ATOM 317 CG MET A 23 -12.706 -2.797 -0.133 1.00 0.00 C ATOM 318 SD MET A 23 -12.600 -0.997 -0.118 1.00 0.00 S ATOM 319 CE MET A 23 -13.867 -0.563 -1.307 1.00 0.00 C ATOM 0 H MET A 23 -11.809 -2.796 1.818 1.00 0.00 H new ATOM 0 HA MET A 23 -9.864 -4.455 0.592 1.00 0.00 H new ATOM 0 HB2 MET A 23 -11.021 -2.947 -1.442 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.606 -4.487 -0.845 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.501 -3.105 -0.812 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.982 -3.149 0.861 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.512 0.254 -1.935 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.093 -1.428 -1.930 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.769 -0.251 -0.780 1.00 0.00 H new ATOM 329 N LEU A 24 -9.563 -1.456 -0.634 1.00 0.00 N ATOM 330 CA LEU A 24 -8.623 -0.476 -1.169 1.00 0.00 C ATOM 331 C LEU A 24 -7.833 0.247 -0.082 1.00 0.00 C ATOM 332 O LEU A 24 -7.033 1.133 -0.384 1.00 0.00 O ATOM 333 CB LEU A 24 -9.398 0.539 -2.026 1.00 0.00 C ATOM 334 CG LEU A 24 -9.858 1.834 -1.341 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.811 2.590 -2.248 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.527 1.558 -0.012 1.00 0.00 C ATOM 0 H LEU A 24 -10.534 -1.275 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.892 -1.012 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.771 0.811 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.279 0.038 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.972 2.440 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.132 3.507 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.305 2.838 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.681 1.969 -2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.838 2.499 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.400 0.925 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.825 1.051 0.650 1.00 0.00 H new ATOM 348 N GLY A 25 -8.076 -0.095 1.180 1.00 0.00 N ATOM 349 CA GLY A 25 -7.443 0.646 2.245 1.00 0.00 C ATOM 350 C GLY A 25 -7.957 2.055 2.198 1.00 0.00 C ATOM 351 O GLY A 25 -9.158 2.288 2.292 1.00 0.00 O ATOM 0 H GLY A 25 -8.687 -0.856 1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.665 0.191 3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.359 0.631 2.128 1.00 0.00 H new ATOM 355 N GLU A 26 -7.070 2.997 1.990 1.00 0.00 N ATOM 356 CA GLU A 26 -7.499 4.333 1.667 1.00 0.00 C ATOM 357 C GLU A 26 -7.918 4.341 0.207 1.00 0.00 C ATOM 358 O GLU A 26 -9.092 4.488 -0.131 1.00 0.00 O ATOM 359 CB GLU A 26 -6.386 5.326 1.934 1.00 0.00 C ATOM 360 CG GLU A 26 -6.307 5.706 3.399 1.00 0.00 C ATOM 361 CD GLU A 26 -5.289 6.778 3.665 1.00 0.00 C ATOM 362 OE1 GLU A 26 -5.591 7.949 3.383 1.00 0.00 O ATOM 363 OE2 GLU A 26 -4.186 6.446 4.143 1.00 0.00 O ATOM 0 H GLU A 26 -6.060 2.865 2.038 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.341 4.631 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.434 4.898 1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.547 6.222 1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.286 6.049 3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.060 4.822 3.987 1.00 0.00 H new ATOM 370 N ARG A 27 -6.923 4.126 -0.643 1.00 0.00 N ATOM 371 CA ARG A 27 -7.112 3.982 -2.075 1.00 0.00 C ATOM 372 C ARG A 27 -5.893 3.277 -2.654 1.00 0.00 C ATOM 373 O ARG A 27 -5.727 3.170 -3.866 1.00 0.00 O ATOM 374 CB ARG A 27 -7.290 5.346 -2.739 1.00 0.00 C ATOM 375 CG ARG A 27 -7.783 5.272 -4.176 1.00 0.00 C ATOM 376 CD ARG A 27 -9.142 4.598 -4.269 1.00 0.00 C ATOM 377 NE ARG A 27 -10.054 5.324 -5.147 1.00 0.00 N ATOM 378 CZ ARG A 27 -11.232 4.854 -5.547 1.00 0.00 C ATOM 379 NH1 ARG A 27 -11.641 3.657 -5.151 1.00 0.00 N ATOM 380 NH2 ARG A 27 -12.000 5.582 -6.347 1.00 0.00 N ATOM 0 H ARG A 27 -5.949 4.046 -0.350 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.012 3.397 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.995 5.935 -2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.338 5.876 -2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.846 6.278 -4.591 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.062 4.722 -4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.017 3.580 -4.638 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.579 4.525 -3.273 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.771 6.248 -5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.052 3.094 -4.538 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.545 3.299 -5.459 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.687 6.502 -6.655 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.903 5.221 -6.654 1.00 0.00 H new ATOM 394 N LEU A 28 -5.055 2.784 -1.750 1.00 0.00 N ATOM 395 CA LEU A 28 -3.765 2.209 -2.099 1.00 0.00 C ATOM 396 C LEU A 28 -3.857 1.057 -3.091 1.00 0.00 C ATOM 397 O LEU A 28 -3.552 1.219 -4.273 1.00 0.00 O ATOM 398 CB LEU A 28 -3.084 1.697 -0.827 1.00 0.00 C ATOM 399 CG LEU A 28 -2.185 2.685 -0.086 1.00 0.00 C ATOM 400 CD1 LEU A 28 -0.892 2.891 -0.854 1.00 0.00 C ATOM 401 CD2 LEU A 28 -2.903 3.998 0.149 1.00 0.00 C ATOM 0 H LEU A 28 -5.254 2.773 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.192 3.003 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.859 1.359 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.487 0.823 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.939 2.269 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.258 3.597 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.371 1.938 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.116 3.286 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.242 4.684 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.187 4.434 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.797 3.822 0.747 1.00 0.00 H new ATOM 413 N PHE A 29 -4.188 -0.121 -2.574 1.00 0.00 N ATOM 414 CA PHE A 29 -4.207 -1.355 -3.357 1.00 0.00 C ATOM 415 C PHE A 29 -4.652 -1.150 -4.815 1.00 0.00 C ATOM 416 O PHE A 29 -3.969 -1.613 -5.727 1.00 0.00 O ATOM 417 CB PHE A 29 -5.077 -2.405 -2.656 1.00 0.00 C ATOM 418 CG PHE A 29 -4.400 -3.741 -2.512 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.988 -4.453 -3.628 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.165 -4.278 -1.256 1.00 0.00 C ATOM 421 CE1 PHE A 29 -3.361 -5.678 -3.494 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.540 -5.503 -1.117 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.139 -6.204 -2.236 1.00 0.00 C ATOM 0 H PHE A 29 -4.452 -0.249 -1.597 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.179 -1.712 -3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.352 -2.037 -1.668 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.002 -2.533 -3.218 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.159 -4.046 -4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.474 -3.733 -0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.045 -6.223 -4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.365 -5.912 -0.133 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.652 -7.162 -2.128 1.00 0.00 H new ATOM 433 N PRO A 30 -5.770 -0.440 -5.076 1.00 0.00 N ATOM 434 CA PRO A 30 -6.261 -0.227 -6.449 1.00 0.00 C ATOM 435 C PRO A 30 -5.245 0.459 -7.362 1.00 0.00 C ATOM 436 O PRO A 30 -5.089 0.072 -8.521 1.00 0.00 O ATOM 437 CB PRO A 30 -7.480 0.675 -6.263 1.00 0.00 C ATOM 438 CG PRO A 30 -7.930 0.412 -4.874 1.00 0.00 C ATOM 439 CD PRO A 30 -6.683 0.145 -4.078 1.00 0.00 C ATOM 0 HA PRO A 30 -6.474 -1.179 -6.935 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.222 1.725 -6.404 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.262 0.439 -6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.474 1.267 -4.472 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.606 -0.442 -4.838 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.276 1.060 -3.647 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.871 -0.541 -3.252 1.00 0.00 H new ATOM 447 N LEU A 31 -4.565 1.485 -6.851 1.00 0.00 N ATOM 448 CA LEU A 31 -3.600 2.218 -7.673 1.00 0.00 C ATOM 449 C LEU A 31 -2.360 1.377 -7.922 1.00 0.00 C ATOM 450 O LEU A 31 -1.890 1.266 -9.057 1.00 0.00 O ATOM 451 CB LEU A 31 -3.192 3.549 -7.029 1.00 0.00 C ATOM 452 CG LEU A 31 -4.005 3.970 -5.811 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.091 4.428 -4.685 1.00 0.00 C ATOM 454 CD2 LEU A 31 -4.989 5.066 -6.181 1.00 0.00 C ATOM 0 H LEU A 31 -4.660 1.823 -5.893 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.091 2.435 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.143 3.485 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.267 4.334 -7.782 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.569 3.105 -5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.693 4.724 -3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.428 3.611 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.497 5.277 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.561 5.354 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.445 5.931 -6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.669 4.700 -6.951 1.00 0.00 H new ATOM 466 N ILE A 32 -1.827 0.778 -6.866 1.00 0.00 N ATOM 467 CA ILE A 32 -0.659 -0.064 -7.008 1.00 0.00 C ATOM 468 C ILE A 32 -1.026 -1.338 -7.748 1.00 0.00 C ATOM 469 O ILE A 32 -0.164 -2.015 -8.307 1.00 0.00 O ATOM 470 CB ILE A 32 -0.001 -0.394 -5.663 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.556 0.515 -4.555 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.508 -0.241 -5.795 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.289 0.563 -3.299 1.00 0.00 C ATOM 0 H ILE A 32 -2.184 0.861 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 32 0.076 0.496 -7.586 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.229 -1.424 -5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.656 1.526 -4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.557 0.175 -4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.982 -0.474 -4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.877 -0.923 -6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.746 0.784 -6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.177 1.228 -2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.369 -0.438 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.284 0.934 -3.544 1.00 0.00 H new ATOM 485 N GLN A 33 -2.323 -1.634 -7.788 1.00 0.00 N ATOM 486 CA GLN A 33 -2.815 -2.756 -8.571 1.00 0.00 C ATOM 487 C GLN A 33 -2.505 -2.484 -10.034 1.00 0.00 C ATOM 488 O GLN A 33 -2.176 -3.387 -10.801 1.00 0.00 O ATOM 489 CB GLN A 33 -4.320 -2.945 -8.369 1.00 0.00 C ATOM 490 CG GLN A 33 -4.922 -4.029 -9.251 1.00 0.00 C ATOM 491 CD GLN A 33 -4.472 -5.422 -8.856 1.00 0.00 C ATOM 492 OE1 GLN A 33 -3.855 -5.616 -7.808 1.00 0.00 O ATOM 493 NE2 GLN A 33 -4.782 -6.403 -9.695 1.00 0.00 N ATOM 0 H GLN A 33 -3.045 -1.114 -7.290 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.325 -3.674 -8.247 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.510 -3.191 -7.324 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.827 -2.001 -8.571 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.009 -3.974 -9.196 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.645 -3.843 -10.289 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.295 -6.198 -10.553 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.508 -7.362 -9.482 1.00 0.00 H new ATOM 502 N ALA A 34 -2.567 -1.204 -10.388 1.00 0.00 N ATOM 503 CA ALA A 34 -2.233 -0.758 -11.734 1.00 0.00 C ATOM 504 C ALA A 34 -0.723 -0.797 -11.940 1.00 0.00 C ATOM 505 O ALA A 34 -0.238 -0.853 -13.070 1.00 0.00 O ATOM 506 CB ALA A 34 -2.772 0.642 -11.981 1.00 0.00 C ATOM 0 H ALA A 34 -2.847 -0.454 -9.756 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.699 -1.433 -12.452 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.513 0.959 -12.991 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.856 0.640 -11.868 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.334 1.333 -11.261 1.00 0.00 H new ATOM 512 N MET A 35 0.013 -0.822 -10.829 1.00 0.00 N ATOM 513 CA MET A 35 1.472 -0.899 -10.869 1.00 0.00 C ATOM 514 C MET A 35 1.920 -2.334 -10.651 1.00 0.00 C ATOM 515 O MET A 35 3.110 -2.646 -10.700 1.00 0.00 O ATOM 516 CB MET A 35 2.092 -0.004 -9.801 1.00 0.00 C ATOM 517 CG MET A 35 1.330 1.287 -9.607 1.00 0.00 C ATOM 518 SD MET A 35 2.221 2.735 -10.193 1.00 0.00 S ATOM 519 CE MET A 35 1.203 4.024 -9.484 1.00 0.00 C ATOM 0 H MET A 35 -0.379 -0.790 -9.888 1.00 0.00 H new ATOM 0 HA MET A 35 1.806 -0.556 -11.848 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.128 -0.545 -8.856 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.121 0.225 -10.077 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.376 1.220 -10.130 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.105 1.412 -8.548 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.841 4.791 -9.044 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.585 4.470 -10.263 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.562 3.598 -8.712 1.00 0.00 H new ATOM 529 N HIS A 36 0.945 -3.200 -10.402 1.00 0.00 N ATOM 530 CA HIS A 36 1.200 -4.606 -10.170 1.00 0.00 C ATOM 531 C HIS A 36 1.829 -5.246 -11.419 1.00 0.00 C ATOM 532 O HIS A 36 1.863 -4.618 -12.477 1.00 0.00 O ATOM 533 CB HIS A 36 -0.123 -5.276 -9.774 1.00 0.00 C ATOM 534 CG HIS A 36 -0.700 -6.190 -10.810 1.00 0.00 C ATOM 535 ND1 HIS A 36 -0.852 -5.795 -12.118 1.00 0.00 N ATOM 536 CD2 HIS A 36 -1.163 -7.450 -10.670 1.00 0.00 C ATOM 537 CE1 HIS A 36 -1.389 -6.828 -12.745 1.00 0.00 C ATOM 538 NE2 HIS A 36 -1.596 -7.852 -11.906 1.00 0.00 N ATOM 0 H HIS A 36 -0.041 -2.942 -10.356 1.00 0.00 H new ATOM 0 HA HIS A 36 1.915 -4.741 -9.358 1.00 0.00 H new ATOM 0 HB2 HIS A 36 0.034 -5.843 -8.856 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.854 -4.499 -9.548 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.187 -8.030 -9.759 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -1.630 -6.844 -13.798 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.999 -8.759 -12.143 1.00 0.00 H new ATOM 546 N PRO A 37 2.399 -6.467 -11.312 1.00 0.00 N ATOM 547 CA PRO A 37 2.375 -7.290 -10.112 1.00 0.00 C ATOM 548 C PRO A 37 3.692 -7.299 -9.340 1.00 0.00 C ATOM 549 O PRO A 37 4.284 -8.358 -9.130 1.00 0.00 O ATOM 550 CB PRO A 37 2.107 -8.670 -10.705 1.00 0.00 C ATOM 551 CG PRO A 37 2.806 -8.660 -12.032 1.00 0.00 C ATOM 552 CD PRO A 37 3.003 -7.210 -12.425 1.00 0.00 C ATOM 0 HA PRO A 37 1.649 -6.934 -9.381 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.494 -9.459 -10.060 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.038 -8.849 -10.822 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.765 -9.174 -11.965 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.214 -9.185 -12.782 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.059 -6.966 -12.544 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.514 -6.981 -13.372 1.00 0.00 H new ATOM 560 N THR A 38 4.122 -6.133 -8.865 1.00 0.00 N ATOM 561 CA THR A 38 5.328 -6.051 -8.059 1.00 0.00 C ATOM 562 C THR A 38 5.012 -6.535 -6.649 1.00 0.00 C ATOM 563 O THR A 38 5.370 -7.652 -6.273 1.00 0.00 O ATOM 564 CB THR A 38 5.870 -4.615 -8.028 1.00 0.00 C ATOM 565 OG1 THR A 38 6.286 -4.211 -9.322 1.00 0.00 O ATOM 566 CG2 THR A 38 7.046 -4.439 -7.093 1.00 0.00 C ATOM 0 H THR A 38 3.655 -5.241 -9.025 1.00 0.00 H new ATOM 0 HA THR A 38 6.099 -6.683 -8.499 1.00 0.00 H new ATOM 0 HB THR A 38 5.045 -4.001 -7.666 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.627 -3.293 -9.284 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.380 -3.402 -7.119 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.746 -4.698 -6.078 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.861 -5.090 -7.407 1.00 0.00 H new ATOM 574 N LEU A 39 4.299 -5.708 -5.893 1.00 0.00 N ATOM 575 CA LEU A 39 3.863 -6.080 -4.553 1.00 0.00 C ATOM 576 C LEU A 39 2.902 -5.039 -3.986 1.00 0.00 C ATOM 577 O LEU A 39 3.069 -4.578 -2.857 1.00 0.00 O ATOM 578 CB LEU A 39 5.062 -6.262 -3.624 1.00 0.00 C ATOM 579 CG LEU A 39 5.320 -7.706 -3.183 1.00 0.00 C ATOM 580 CD1 LEU A 39 6.806 -7.938 -2.953 1.00 0.00 C ATOM 581 CD2 LEU A 39 4.526 -8.031 -1.927 1.00 0.00 C ATOM 0 H LEU A 39 4.011 -4.775 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 39 3.335 -7.031 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.953 -5.886 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.913 -5.647 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 39 4.989 -8.373 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.969 -8.969 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.351 -7.749 -3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.164 -7.262 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.722 -9.061 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.824 -7.358 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.462 -7.908 -2.127 1.00 0.00 H new ATOM 593 N ALA A 40 1.892 -4.682 -4.781 1.00 0.00 N ATOM 594 CA ALA A 40 0.890 -3.698 -4.376 1.00 0.00 C ATOM 595 C ALA A 40 0.468 -3.892 -2.920 1.00 0.00 C ATOM 596 O ALA A 40 0.190 -2.925 -2.211 1.00 0.00 O ATOM 597 CB ALA A 40 -0.324 -3.786 -5.289 1.00 0.00 C ATOM 0 H ALA A 40 1.747 -5.064 -5.716 1.00 0.00 H new ATOM 0 HA ALA A 40 1.338 -2.708 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.066 -3.049 -4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.021 -3.587 -6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.756 -4.785 -5.225 1.00 0.00 H new ATOM 603 N GLY A 41 0.430 -5.147 -2.485 1.00 0.00 N ATOM 604 CA GLY A 41 0.028 -5.462 -1.126 1.00 0.00 C ATOM 605 C GLY A 41 0.823 -4.721 -0.068 1.00 0.00 C ATOM 606 O GLY A 41 0.293 -3.835 0.603 1.00 0.00 O ATOM 0 H GLY A 41 0.673 -5.958 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.029 -5.226 -1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.136 -6.535 -0.964 1.00 0.00 H new ATOM 610 N LYS A 42 2.084 -5.107 0.113 1.00 0.00 N ATOM 611 CA LYS A 42 2.922 -4.507 1.147 1.00 0.00 C ATOM 612 C LYS A 42 3.039 -2.995 0.981 1.00 0.00 C ATOM 613 O LYS A 42 2.973 -2.257 1.962 1.00 0.00 O ATOM 614 CB LYS A 42 4.318 -5.143 1.169 1.00 0.00 C ATOM 615 CG LYS A 42 5.078 -4.948 2.484 1.00 0.00 C ATOM 616 CD LYS A 42 4.149 -4.694 3.668 1.00 0.00 C ATOM 617 CE LYS A 42 3.514 -5.979 4.173 1.00 0.00 C ATOM 618 NZ LYS A 42 4.067 -6.389 5.494 1.00 0.00 N ATOM 0 H LYS A 42 2.546 -5.829 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 42 2.432 -4.704 2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.221 -6.211 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.909 -4.723 0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.682 -5.833 2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.766 -4.109 2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.710 -4.224 4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.367 -3.994 3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.436 -5.843 4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.679 -6.775 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.780 -7.367 5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.105 -6.331 5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.702 -5.756 6.234 1.00 0.00 H new ATOM 632 N ILE A 43 3.203 -2.535 -0.257 1.00 0.00 N ATOM 633 CA ILE A 43 3.309 -1.103 -0.520 1.00 0.00 C ATOM 634 C ILE A 43 2.126 -0.368 0.091 1.00 0.00 C ATOM 635 O ILE A 43 2.293 0.526 0.921 1.00 0.00 O ATOM 636 CB ILE A 43 3.346 -0.799 -2.025 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.373 -1.681 -2.732 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.654 0.671 -2.253 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.182 -1.729 -4.231 1.00 0.00 C ATOM 0 H ILE A 43 3.265 -3.126 -1.086 1.00 0.00 H new ATOM 0 HA ILE A 43 4.242 -0.764 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 43 2.366 -1.020 -2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.374 -1.311 -2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.311 -2.693 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.678 0.876 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.882 1.281 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.623 0.912 -1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.943 -2.372 -4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.193 -2.126 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.272 -0.723 -4.642 1.00 0.00 H new ATOM 651 N THR A 44 0.932 -0.774 -0.321 1.00 0.00 N ATOM 652 CA THR A 44 -0.302 -0.220 0.198 1.00 0.00 C ATOM 653 C THR A 44 -0.258 -0.169 1.719 1.00 0.00 C ATOM 654 O THR A 44 -0.594 0.846 2.337 1.00 0.00 O ATOM 655 CB THR A 44 -1.458 -1.105 -0.267 1.00 0.00 C ATOM 656 OG1 THR A 44 -1.890 -0.741 -1.563 1.00 0.00 O ATOM 657 CG2 THR A 44 -2.655 -1.108 0.656 1.00 0.00 C ATOM 0 H THR A 44 0.797 -1.498 -1.026 1.00 0.00 H new ATOM 0 HA THR A 44 -0.438 0.797 -0.171 1.00 0.00 H new ATOM 0 HB THR A 44 -1.046 -2.114 -0.265 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.457 -1.318 -2.226 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.427 -1.762 0.249 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.355 -1.469 1.640 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.048 -0.095 0.746 1.00 0.00 H new ATOM 665 N GLY A 45 0.188 -1.271 2.305 1.00 0.00 N ATOM 666 CA GLY A 45 0.278 -1.372 3.744 1.00 0.00 C ATOM 667 C GLY A 45 1.017 -0.213 4.379 1.00 0.00 C ATOM 668 O GLY A 45 0.443 0.529 5.168 1.00 0.00 O ATOM 0 H GLY A 45 0.492 -2.104 1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.727 -1.426 4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.782 -2.303 4.006 1.00 0.00 H new ATOM 672 N MET A 46 2.284 -0.040 4.011 1.00 0.00 N ATOM 673 CA MET A 46 3.118 1.011 4.595 1.00 0.00 C ATOM 674 C MET A 46 2.471 2.381 4.467 1.00 0.00 C ATOM 675 O MET A 46 2.243 3.066 5.466 1.00 0.00 O ATOM 676 CB MET A 46 4.502 1.056 3.929 1.00 0.00 C ATOM 677 CG MET A 46 4.840 -0.164 3.088 1.00 0.00 C ATOM 678 SD MET A 46 6.050 -1.240 3.880 1.00 0.00 S ATOM 679 CE MET A 46 7.508 -0.883 2.903 1.00 0.00 C ATOM 0 H MET A 46 2.757 -0.613 3.312 1.00 0.00 H new ATOM 0 HA MET A 46 3.227 0.767 5.652 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.558 1.943 3.298 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.260 1.168 4.704 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.929 -0.730 2.893 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.226 0.161 2.122 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.394 -1.240 3.428 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.431 -1.385 1.938 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.587 0.193 2.747 1.00 0.00 H new ATOM 689 N LEU A 47 2.211 2.795 3.238 1.00 0.00 N ATOM 690 CA LEU A 47 1.658 4.117 2.989 1.00 0.00 C ATOM 691 C LEU A 47 0.152 4.166 3.231 1.00 0.00 C ATOM 692 O LEU A 47 -0.519 5.115 2.820 1.00 0.00 O ATOM 693 CB LEU A 47 2.012 4.565 1.575 1.00 0.00 C ATOM 694 CG LEU A 47 3.502 4.854 1.376 1.00 0.00 C ATOM 695 CD1 LEU A 47 4.120 3.850 0.416 1.00 0.00 C ATOM 696 CD2 LEU A 47 3.715 6.277 0.889 1.00 0.00 C ATOM 0 H LEU A 47 2.373 2.237 2.399 1.00 0.00 H new ATOM 0 HA LEU A 47 2.104 4.812 3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.704 3.792 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.442 5.462 1.334 1.00 0.00 H new ATOM 0 HG LEU A 47 4.002 4.751 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.179 4.073 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.007 2.844 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.617 3.912 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.781 6.460 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.200 6.417 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.317 6.977 1.624 1.00 0.00 H new ATOM 708 N LEU A 48 -0.365 3.181 3.964 1.00 0.00 N ATOM 709 CA LEU A 48 -1.774 3.168 4.342 1.00 0.00 C ATOM 710 C LEU A 48 -2.061 4.332 5.286 1.00 0.00 C ATOM 711 O LEU A 48 -3.209 4.606 5.632 1.00 0.00 O ATOM 712 CB LEU A 48 -2.145 1.833 5.010 1.00 0.00 C ATOM 713 CG LEU A 48 -3.527 1.267 4.656 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.540 2.374 4.425 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.435 0.380 3.430 1.00 0.00 C ATOM 0 H LEU A 48 0.171 2.384 4.307 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.381 3.277 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.391 1.093 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.093 1.963 6.091 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.868 0.672 5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.507 1.936 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.635 2.975 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.206 3.007 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.423 -0.014 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.063 0.962 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.753 -0.447 3.629 1.00 0.00 H new ATOM 727 N GLU A 49 -0.999 5.023 5.692 1.00 0.00 N ATOM 728 CA GLU A 49 -1.115 6.168 6.585 1.00 0.00 C ATOM 729 C GLU A 49 -1.210 7.466 5.790 1.00 0.00 C ATOM 730 O GLU A 49 -0.868 8.538 6.288 1.00 0.00 O ATOM 731 CB GLU A 49 0.088 6.221 7.525 1.00 0.00 C ATOM 732 CG GLU A 49 0.411 4.884 8.171 1.00 0.00 C ATOM 733 CD GLU A 49 0.610 5.002 9.669 1.00 0.00 C ATOM 734 OE1 GLU A 49 1.399 5.868 10.096 1.00 0.00 O ATOM 735 OE2 GLU A 49 -0.029 4.232 10.414 1.00 0.00 O ATOM 0 H GLU A 49 -0.042 4.806 5.413 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.026 6.055 7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.959 6.567 6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.103 6.956 8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.397 4.181 7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.313 4.473 7.718 1.00 0.00 H new ATOM 742 N ILE A 50 -1.689 7.359 4.556 1.00 0.00 N ATOM 743 CA ILE A 50 -1.829 8.519 3.681 1.00 0.00 C ATOM 744 C ILE A 50 -3.135 9.267 3.974 1.00 0.00 C ATOM 745 O ILE A 50 -3.885 8.883 4.869 1.00 0.00 O ATOM 746 CB ILE A 50 -1.774 8.093 2.191 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.035 9.138 1.355 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.167 7.850 1.628 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.780 8.691 -0.069 1.00 0.00 C ATOM 0 H ILE A 50 -1.988 6.478 4.137 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.995 9.192 3.878 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.224 7.153 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.616 10.060 1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.083 9.369 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.090 7.553 0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.655 7.058 2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.755 8.765 1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.253 9.478 -0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.173 7.786 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.730 8.487 -0.562 1.00 0.00 H new ATOM 761 N ASP A 51 -3.344 10.391 3.294 1.00 0.00 N ATOM 762 CA ASP A 51 -4.557 11.187 3.476 1.00 0.00 C ATOM 763 C ASP A 51 -5.772 10.520 2.834 1.00 0.00 C ATOM 764 O ASP A 51 -5.770 10.246 1.634 1.00 0.00 O ATOM 765 CB ASP A 51 -4.372 12.575 2.873 1.00 0.00 C ATOM 766 CG ASP A 51 -3.607 13.510 3.790 1.00 0.00 C ATOM 767 OD1 ASP A 51 -4.194 13.973 4.789 1.00 0.00 O ATOM 768 OD2 ASP A 51 -2.420 13.779 3.508 1.00 0.00 O ATOM 0 H ASP A 51 -2.689 10.772 2.611 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.734 11.268 4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.842 12.488 1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.349 13.005 2.654 1.00 0.00 H new ATOM 773 N ASN A 52 -6.822 10.296 3.621 1.00 0.00 N ATOM 774 CA ASN A 52 -8.054 9.713 3.097 1.00 0.00 C ATOM 775 C ASN A 52 -8.707 10.684 2.116 1.00 0.00 C ATOM 776 O ASN A 52 -9.349 10.282 1.146 1.00 0.00 O ATOM 777 CB ASN A 52 -9.012 9.382 4.246 1.00 0.00 C ATOM 778 CG ASN A 52 -10.035 8.312 3.890 1.00 0.00 C ATOM 779 OD1 ASN A 52 -9.616 7.045 3.891 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -11.201 8.618 3.638 1.00 0.00 N flip ATOM 0 H ASN A 52 -6.844 10.508 4.618 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.818 8.788 2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.433 9.049 5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.536 10.290 4.546 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -11.484 9.598 3.647 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.883 7.892 3.420 1.00 0.00 H new ATOM 787 N SER A 53 -8.503 11.974 2.355 1.00 0.00 N ATOM 788 CA SER A 53 -9.028 13.000 1.465 1.00 0.00 C ATOM 789 C SER A 53 -8.221 13.026 0.173 1.00 0.00 C ATOM 790 O SER A 53 -8.755 13.284 -0.909 1.00 0.00 O ATOM 791 CB SER A 53 -8.982 14.371 2.143 1.00 0.00 C ATOM 792 OG SER A 53 -10.087 14.548 3.012 1.00 0.00 O ATOM 0 H SER A 53 -7.980 12.332 3.154 1.00 0.00 H new ATOM 0 HA SER A 53 -10.067 12.765 1.232 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.054 14.471 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.982 15.155 1.386 1.00 0.00 H new ATOM 0 HG SER A 53 -10.033 15.431 3.434 1.00 0.00 H new ATOM 798 N GLU A 54 -6.931 12.730 0.294 1.00 0.00 N ATOM 799 CA GLU A 54 -6.048 12.692 -0.862 1.00 0.00 C ATOM 800 C GLU A 54 -6.264 11.411 -1.654 1.00 0.00 C ATOM 801 O GLU A 54 -6.001 11.366 -2.854 1.00 0.00 O ATOM 802 CB GLU A 54 -4.583 12.795 -0.432 1.00 0.00 C ATOM 803 CG GLU A 54 -4.124 14.220 -0.170 1.00 0.00 C ATOM 804 CD GLU A 54 -3.366 14.814 -1.340 1.00 0.00 C ATOM 805 OE1 GLU A 54 -2.418 14.161 -1.827 1.00 0.00 O ATOM 806 OE2 GLU A 54 -3.715 15.934 -1.768 1.00 0.00 O ATOM 0 H GLU A 54 -6.476 12.513 1.181 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.286 13.547 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.436 12.203 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.954 12.356 -1.207 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.992 14.842 0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.488 14.236 0.715 1.00 0.00 H new ATOM 813 N LEU A 55 -6.765 10.376 -0.980 1.00 0.00 N ATOM 814 CA LEU A 55 -7.024 9.101 -1.637 1.00 0.00 C ATOM 815 C LEU A 55 -8.009 9.300 -2.779 1.00 0.00 C ATOM 816 O LEU A 55 -7.772 8.857 -3.902 1.00 0.00 O ATOM 817 CB LEU A 55 -7.544 8.063 -0.627 1.00 0.00 C ATOM 818 CG LEU A 55 -9.068 7.989 -0.427 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.747 7.207 -1.543 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.391 7.356 0.915 1.00 0.00 C ATOM 0 H LEU A 55 -6.997 10.397 0.013 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.090 8.718 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.195 7.079 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.085 8.270 0.339 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.451 9.009 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.822 7.178 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.551 7.692 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.355 6.190 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.472 7.309 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.977 6.348 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.955 7.956 1.714 1.00 0.00 H new ATOM 832 N LEU A 56 -9.094 10.008 -2.492 1.00 0.00 N ATOM 833 CA LEU A 56 -10.092 10.301 -3.510 1.00 0.00 C ATOM 834 C LEU A 56 -9.450 11.078 -4.653 1.00 0.00 C ATOM 835 O LEU A 56 -9.681 10.789 -5.829 1.00 0.00 O ATOM 836 CB LEU A 56 -11.250 11.102 -2.908 1.00 0.00 C ATOM 837 CG LEU A 56 -12.634 10.778 -3.480 1.00 0.00 C ATOM 838 CD1 LEU A 56 -12.755 11.288 -4.909 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.899 9.282 -3.419 1.00 0.00 C ATOM 0 H LEU A 56 -9.304 10.387 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.488 9.362 -3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.270 10.929 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.052 12.164 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.385 11.284 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.745 11.049 -5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.611 12.368 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.996 10.813 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.886 9.070 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.143 8.755 -4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.857 8.947 -2.383 1.00 0.00 H new ATOM 851 N HIS A 57 -8.605 12.037 -4.292 1.00 0.00 N ATOM 852 CA HIS A 57 -7.904 12.854 -5.275 1.00 0.00 C ATOM 853 C HIS A 57 -6.863 12.034 -6.035 1.00 0.00 C ATOM 854 O HIS A 57 -6.417 12.428 -7.112 1.00 0.00 O ATOM 855 CB HIS A 57 -7.227 14.040 -4.588 1.00 0.00 C ATOM 856 CG HIS A 57 -8.113 15.239 -4.452 1.00 0.00 C ATOM 857 ND1 HIS A 57 -8.321 16.100 -5.504 1.00 0.00 N ATOM 858 CD2 HIS A 57 -8.816 15.673 -3.378 1.00 0.00 C ATOM 859 CE1 HIS A 57 -9.140 17.032 -5.052 1.00 0.00 C ATOM 860 NE2 HIS A 57 -9.466 16.815 -3.769 1.00 0.00 N ATOM 0 H HIS A 57 -8.388 12.268 -3.322 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.639 13.221 -5.991 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.891 13.732 -3.598 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.338 14.318 -5.154 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.856 15.209 -2.403 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -9.501 17.863 -5.640 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.081 17.390 -3.194 1.00 0.00 H new ATOM 868 N MET A 58 -6.474 10.894 -5.466 1.00 0.00 N ATOM 869 CA MET A 58 -5.477 10.028 -6.092 1.00 0.00 C ATOM 870 C MET A 58 -6.027 9.388 -7.360 1.00 0.00 C ATOM 871 O MET A 58 -5.470 9.558 -8.444 1.00 0.00 O ATOM 872 CB MET A 58 -5.028 8.936 -5.116 1.00 0.00 C ATOM 873 CG MET A 58 -4.099 9.436 -4.024 1.00 0.00 C ATOM 874 SD MET A 58 -2.387 9.560 -4.573 1.00 0.00 S ATOM 875 CE MET A 58 -2.272 11.316 -4.908 1.00 0.00 C ATOM 0 H MET A 58 -6.833 10.550 -4.575 1.00 0.00 H new ATOM 0 HA MET A 58 -4.619 10.646 -6.358 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.909 8.489 -4.655 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.525 8.146 -5.675 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.439 10.414 -3.683 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.154 8.763 -3.169 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.369 11.518 -5.484 1.00 0.00 H new ATOM 0 HE2 MET A 58 -3.145 11.636 -5.477 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.232 11.864 -3.967 1.00 0.00 H new ATOM 885 N LEU A 59 -7.117 8.641 -7.215 1.00 0.00 N ATOM 886 CA LEU A 59 -7.736 7.967 -8.348 1.00 0.00 C ATOM 887 C LEU A 59 -8.208 8.969 -9.390 1.00 0.00 C ATOM 888 O LEU A 59 -8.379 8.626 -10.560 1.00 0.00 O ATOM 889 CB LEU A 59 -8.907 7.103 -7.879 1.00 0.00 C ATOM 890 CG LEU A 59 -9.077 5.781 -8.632 1.00 0.00 C ATOM 891 CD1 LEU A 59 -8.690 4.606 -7.745 1.00 0.00 C ATOM 892 CD2 LEU A 59 -10.507 5.635 -9.128 1.00 0.00 C ATOM 0 H LEU A 59 -7.589 8.488 -6.324 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.985 7.325 -8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.777 6.886 -6.819 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.827 7.680 -7.976 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.413 5.786 -9.496 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.818 3.675 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.648 4.707 -7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.327 4.593 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.612 4.690 -9.661 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.190 5.650 -8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.745 6.460 -9.800 1.00 0.00 H new ATOM 904 N GLU A 60 -8.397 10.212 -8.967 1.00 0.00 N ATOM 905 CA GLU A 60 -8.844 11.255 -9.878 1.00 0.00 C ATOM 906 C GLU A 60 -7.656 11.987 -10.501 1.00 0.00 C ATOM 907 O GLU A 60 -7.821 12.779 -11.429 1.00 0.00 O ATOM 908 CB GLU A 60 -9.761 12.246 -9.151 1.00 0.00 C ATOM 909 CG GLU A 60 -9.029 13.423 -8.525 1.00 0.00 C ATOM 910 CD GLU A 60 -9.105 14.679 -9.372 1.00 0.00 C ATOM 911 OE1 GLU A 60 -9.792 14.652 -10.415 1.00 0.00 O ATOM 912 OE2 GLU A 60 -8.475 15.689 -8.994 1.00 0.00 O ATOM 0 H GLU A 60 -8.249 10.520 -8.006 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.408 10.781 -10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.501 12.625 -9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.307 11.715 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.452 13.627 -7.542 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.983 13.156 -8.373 1.00 0.00 H new ATOM 919 N SER A 61 -6.459 11.713 -9.987 1.00 0.00 N ATOM 920 CA SER A 61 -5.244 12.341 -10.498 1.00 0.00 C ATOM 921 C SER A 61 -4.239 11.286 -10.954 1.00 0.00 C ATOM 922 O SER A 61 -3.354 10.896 -10.197 1.00 0.00 O ATOM 923 CB SER A 61 -4.608 13.225 -9.423 1.00 0.00 C ATOM 924 OG SER A 61 -3.973 14.352 -10.001 1.00 0.00 O ATOM 0 H SER A 61 -6.305 11.061 -9.218 1.00 0.00 H new ATOM 0 HA SER A 61 -5.518 12.958 -11.354 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.373 13.555 -8.720 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.881 12.646 -8.854 1.00 0.00 H new ATOM 0 HG SER A 61 -3.860 15.048 -9.321 1.00 0.00 H new ATOM 930 N PRO A 62 -4.362 10.807 -12.204 1.00 0.00 N ATOM 931 CA PRO A 62 -3.459 9.787 -12.747 1.00 0.00 C ATOM 932 C PRO A 62 -2.004 10.248 -12.757 1.00 0.00 C ATOM 933 O PRO A 62 -1.088 9.443 -12.593 1.00 0.00 O ATOM 934 CB PRO A 62 -3.962 9.577 -14.179 1.00 0.00 C ATOM 935 CG PRO A 62 -5.362 10.089 -14.178 1.00 0.00 C ATOM 936 CD PRO A 62 -5.391 11.208 -13.178 1.00 0.00 C ATOM 0 HA PRO A 62 -3.469 8.879 -12.144 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.345 10.118 -14.897 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.928 8.524 -14.458 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.649 10.443 -15.168 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.065 9.302 -13.904 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.158 12.168 -13.639 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.371 11.308 -12.712 1.00 0.00 H new ATOM 944 N GLU A 63 -1.798 11.545 -12.970 1.00 0.00 N ATOM 945 CA GLU A 63 -0.451 12.108 -13.016 1.00 0.00 C ATOM 946 C GLU A 63 0.123 12.292 -11.609 1.00 0.00 C ATOM 947 O GLU A 63 1.274 11.935 -11.348 1.00 0.00 O ATOM 948 CB GLU A 63 -0.458 13.437 -13.791 1.00 0.00 C ATOM 949 CG GLU A 63 -0.138 14.668 -12.954 1.00 0.00 C ATOM 950 CD GLU A 63 1.340 15.008 -12.955 1.00 0.00 C ATOM 951 OE1 GLU A 63 2.049 14.576 -13.888 1.00 0.00 O ATOM 952 OE2 GLU A 63 1.787 15.709 -12.023 1.00 0.00 O ATOM 0 H GLU A 63 -2.545 12.225 -13.113 1.00 0.00 H new ATOM 0 HA GLU A 63 0.197 11.405 -13.541 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.265 13.371 -14.604 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.439 13.570 -14.247 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.703 15.519 -13.336 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.468 14.501 -11.929 1.00 0.00 H new ATOM 959 N SER A 64 -0.683 12.846 -10.708 1.00 0.00 N ATOM 960 CA SER A 64 -0.241 13.099 -9.341 1.00 0.00 C ATOM 961 C SER A 64 -0.079 11.799 -8.561 1.00 0.00 C ATOM 962 O SER A 64 0.981 11.531 -7.994 1.00 0.00 O ATOM 963 CB SER A 64 -1.243 14.009 -8.625 1.00 0.00 C ATOM 964 OG SER A 64 -1.073 15.361 -9.014 1.00 0.00 O ATOM 0 H SER A 64 -1.644 13.128 -10.900 1.00 0.00 H new ATOM 0 HA SER A 64 0.730 13.592 -9.389 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.259 13.687 -8.853 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.115 13.919 -7.546 1.00 0.00 H new ATOM 0 HG SER A 64 -1.726 15.921 -8.544 1.00 0.00 H new ATOM 970 N LEU A 65 -1.136 11.000 -8.540 1.00 0.00 N ATOM 971 CA LEU A 65 -1.138 9.743 -7.804 1.00 0.00 C ATOM 972 C LEU A 65 -0.018 8.812 -8.265 1.00 0.00 C ATOM 973 O LEU A 65 0.832 8.420 -7.469 1.00 0.00 O ATOM 974 CB LEU A 65 -2.492 9.046 -7.962 1.00 0.00 C ATOM 975 CG LEU A 65 -2.428 7.524 -8.108 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.079 6.879 -6.777 1.00 0.00 C ATOM 977 CD2 LEU A 65 -3.737 6.984 -8.654 1.00 0.00 C ATOM 0 H LEU A 65 -2.009 11.201 -9.028 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.965 9.976 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.110 9.286 -7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.995 9.458 -8.837 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.642 7.274 -8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.037 5.796 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.109 7.244 -6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.840 7.133 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.671 5.900 -8.751 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.548 7.239 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.933 7.424 -9.632 1.00 0.00 H new ATOM 989 N ARG A 66 -0.060 8.413 -9.535 1.00 0.00 N ATOM 990 CA ARG A 66 0.923 7.477 -10.069 1.00 0.00 C ATOM 991 C ARG A 66 2.336 7.903 -9.706 1.00 0.00 C ATOM 992 O ARG A 66 3.193 7.063 -9.446 1.00 0.00 O ATOM 993 CB ARG A 66 0.789 7.348 -11.584 1.00 0.00 C ATOM 994 CG ARG A 66 1.444 6.094 -12.138 1.00 0.00 C ATOM 995 CD ARG A 66 2.706 6.424 -12.917 1.00 0.00 C ATOM 996 NE ARG A 66 2.706 5.810 -14.241 1.00 0.00 N ATOM 997 CZ ARG A 66 3.294 6.348 -15.306 1.00 0.00 C ATOM 998 NH1 ARG A 66 3.932 7.506 -15.199 1.00 0.00 N ATOM 999 NH2 ARG A 66 3.246 5.727 -16.476 1.00 0.00 N ATOM 0 H ARG A 66 -0.761 8.722 -10.209 1.00 0.00 H new ATOM 0 HA ARG A 66 0.728 6.504 -9.619 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.268 7.346 -11.850 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.235 8.223 -12.058 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.687 5.417 -11.319 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.741 5.571 -12.786 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.797 7.505 -13.019 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.577 6.082 -12.358 1.00 0.00 H new ATOM 0 HE ARG A 66 2.227 4.917 -14.356 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.972 7.985 -14.299 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.383 7.917 -16.016 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.758 4.835 -16.561 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.697 6.141 -17.292 1.00 0.00 H new ATOM 1013 N SER A 67 2.569 9.209 -9.673 1.00 0.00 N ATOM 1014 CA SER A 67 3.877 9.735 -9.305 1.00 0.00 C ATOM 1015 C SER A 67 4.232 9.313 -7.883 1.00 0.00 C ATOM 1016 O SER A 67 5.348 8.868 -7.610 1.00 0.00 O ATOM 1017 CB SER A 67 3.890 11.260 -9.417 1.00 0.00 C ATOM 1018 OG SER A 67 4.883 11.698 -10.327 1.00 0.00 O ATOM 0 H SER A 67 1.873 9.920 -9.896 1.00 0.00 H new ATOM 0 HA SER A 67 4.620 9.328 -9.991 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.912 11.612 -9.745 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.074 11.698 -8.436 1.00 0.00 H new ATOM 0 HG SER A 67 4.869 12.676 -10.381 1.00 0.00 H new ATOM 1024 N LYS A 68 3.255 9.425 -6.989 1.00 0.00 N ATOM 1025 CA LYS A 68 3.441 9.053 -5.593 1.00 0.00 C ATOM 1026 C LYS A 68 3.664 7.554 -5.450 1.00 0.00 C ATOM 1027 O LYS A 68 4.713 7.114 -4.979 1.00 0.00 O ATOM 1028 CB LYS A 68 2.218 9.466 -4.771 1.00 0.00 C ATOM 1029 CG LYS A 68 2.351 10.839 -4.127 1.00 0.00 C ATOM 1030 CD LYS A 68 1.002 11.391 -3.690 1.00 0.00 C ATOM 1031 CE LYS A 68 0.275 10.439 -2.757 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.773 11.136 -1.962 1.00 0.00 N ATOM 0 H LYS A 68 2.322 9.773 -7.209 1.00 0.00 H new ATOM 0 HA LYS A 68 4.324 9.573 -5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.339 9.460 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.047 8.723 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.014 10.773 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.814 11.528 -4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.147 12.349 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.385 11.580 -4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.182 9.639 -3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.993 9.973 -2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.545 11.066 -0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.811 12.137 -2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.696 10.692 -2.140 1.00 0.00 H new ATOM 1046 N VAL A 69 2.663 6.773 -5.847 1.00 0.00 N ATOM 1047 CA VAL A 69 2.739 5.321 -5.741 1.00 0.00 C ATOM 1048 C VAL A 69 3.916 4.769 -6.546 1.00 0.00 C ATOM 1049 O VAL A 69 4.411 3.679 -6.262 1.00 0.00 O ATOM 1050 CB VAL A 69 1.421 4.653 -6.185 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.595 3.153 -6.358 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.322 4.943 -5.178 1.00 0.00 C ATOM 0 H VAL A 69 1.791 7.122 -6.245 1.00 0.00 H new ATOM 0 HA VAL A 69 2.901 5.082 -4.690 1.00 0.00 H new ATOM 0 HB VAL A 69 1.138 5.072 -7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.649 2.711 -6.671 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.354 2.960 -7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.906 2.711 -5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.603 4.467 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.610 4.551 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.170 6.020 -5.106 1.00 0.00 H new ATOM 1062 N ASP A 70 4.394 5.539 -7.521 1.00 0.00 N ATOM 1063 CA ASP A 70 5.564 5.129 -8.290 1.00 0.00 C ATOM 1064 C ASP A 70 6.732 4.923 -7.340 1.00 0.00 C ATOM 1065 O ASP A 70 7.395 3.886 -7.359 1.00 0.00 O ATOM 1066 CB ASP A 70 5.923 6.178 -9.343 1.00 0.00 C ATOM 1067 CG ASP A 70 7.140 5.786 -10.159 1.00 0.00 C ATOM 1068 OD1 ASP A 70 6.970 5.091 -11.183 1.00 0.00 O ATOM 1069 OD2 ASP A 70 8.263 6.175 -9.774 1.00 0.00 O ATOM 0 H ASP A 70 3.995 6.437 -7.794 1.00 0.00 H new ATOM 0 HA ASP A 70 5.338 4.198 -8.809 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.074 6.325 -10.010 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.111 7.133 -8.852 1.00 0.00 H new ATOM 1074 N GLU A 71 6.943 5.905 -6.471 1.00 0.00 N ATOM 1075 CA GLU A 71 7.979 5.806 -5.457 1.00 0.00 C ATOM 1076 C GLU A 71 7.592 4.750 -4.434 1.00 0.00 C ATOM 1077 O GLU A 71 8.450 4.157 -3.782 1.00 0.00 O ATOM 1078 CB GLU A 71 8.180 7.149 -4.756 1.00 0.00 C ATOM 1079 CG GLU A 71 9.402 7.180 -3.852 1.00 0.00 C ATOM 1080 CD GLU A 71 10.345 8.319 -4.183 1.00 0.00 C ATOM 1081 OE1 GLU A 71 11.162 8.162 -5.114 1.00 0.00 O ATOM 1082 OE2 GLU A 71 10.268 9.368 -3.510 1.00 0.00 O ATOM 0 H GLU A 71 6.411 6.775 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 71 8.914 5.524 -5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.273 7.933 -5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.294 7.378 -4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.079 7.270 -2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.937 6.234 -3.938 1.00 0.00 H new ATOM 1089 N ALA A 72 6.288 4.522 -4.306 1.00 0.00 N ATOM 1090 CA ALA A 72 5.769 3.541 -3.365 1.00 0.00 C ATOM 1091 C ALA A 72 6.261 2.140 -3.709 1.00 0.00 C ATOM 1092 O ALA A 72 6.829 1.455 -2.859 1.00 0.00 O ATOM 1093 CB ALA A 72 4.252 3.589 -3.331 1.00 0.00 C ATOM 0 H ALA A 72 5.571 5.007 -4.846 1.00 0.00 H new ATOM 0 HA ALA A 72 6.143 3.790 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.880 2.849 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.926 4.582 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.859 3.370 -4.324 1.00 0.00 H new ATOM 1099 N VAL A 73 6.057 1.716 -4.955 1.00 0.00 N ATOM 1100 CA VAL A 73 6.541 0.408 -5.382 1.00 0.00 C ATOM 1101 C VAL A 73 8.047 0.332 -5.164 1.00 0.00 C ATOM 1102 O VAL A 73 8.605 -0.741 -4.936 1.00 0.00 O ATOM 1103 CB VAL A 73 6.215 0.102 -6.863 1.00 0.00 C ATOM 1104 CG1 VAL A 73 4.733 0.306 -7.156 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.077 0.938 -7.795 1.00 0.00 C ATOM 0 H VAL A 73 5.569 2.249 -5.674 1.00 0.00 H new ATOM 0 HA VAL A 73 6.026 -0.341 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 73 6.446 -0.948 -7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.535 0.083 -8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.143 -0.359 -6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.460 1.340 -6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.828 0.703 -8.830 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.894 1.996 -7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.129 0.715 -7.616 1.00 0.00 H new ATOM 1115 N ALA A 74 8.684 1.501 -5.185 1.00 0.00 N ATOM 1116 CA ALA A 74 10.121 1.601 -4.963 1.00 0.00 C ATOM 1117 C ALA A 74 10.470 1.372 -3.493 1.00 0.00 C ATOM 1118 O ALA A 74 11.498 0.771 -3.184 1.00 0.00 O ATOM 1119 CB ALA A 74 10.635 2.957 -5.425 1.00 0.00 C ATOM 0 H ALA A 74 8.223 2.395 -5.355 1.00 0.00 H new ATOM 0 HA ALA A 74 10.608 0.822 -5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.710 3.017 -5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.431 3.081 -6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.133 3.746 -4.865 1.00 0.00 H new ATOM 1125 N VAL A 75 9.616 1.856 -2.587 1.00 0.00 N ATOM 1126 CA VAL A 75 9.852 1.680 -1.155 1.00 0.00 C ATOM 1127 C VAL A 75 9.957 0.196 -0.821 1.00 0.00 C ATOM 1128 O VAL A 75 10.776 -0.210 0.004 1.00 0.00 O ATOM 1129 CB VAL A 75 8.754 2.342 -0.280 1.00 0.00 C ATOM 1130 CG1 VAL A 75 8.225 3.604 -0.942 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.613 1.377 0.022 1.00 0.00 C ATOM 0 H VAL A 75 8.764 2.367 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 75 10.792 2.181 -0.924 1.00 0.00 H new ATOM 0 HB VAL A 75 9.215 2.614 0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.457 4.051 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.041 4.313 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.797 3.354 -1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.865 1.879 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.156 1.051 -0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.001 0.511 0.558 1.00 0.00 H new ATOM 1141 N LEU A 76 9.137 -0.608 -1.490 1.00 0.00 N ATOM 1142 CA LEU A 76 9.162 -2.049 -1.302 1.00 0.00 C ATOM 1143 C LEU A 76 10.418 -2.635 -1.926 1.00 0.00 C ATOM 1144 O LEU A 76 11.062 -3.509 -1.348 1.00 0.00 O ATOM 1145 CB LEU A 76 7.931 -2.690 -1.931 1.00 0.00 C ATOM 1146 CG LEU A 76 7.953 -4.217 -1.950 1.00 0.00 C ATOM 1147 CD1 LEU A 76 6.746 -4.772 -1.216 1.00 0.00 C ATOM 1148 CD2 LEU A 76 8.003 -4.727 -3.381 1.00 0.00 C ATOM 0 H LEU A 76 8.447 -0.283 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 76 9.161 -2.257 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.046 -2.359 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.831 -2.328 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 76 8.850 -4.562 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.776 -5.861 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.760 -4.430 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.834 -4.424 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.018 -5.817 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.124 -4.378 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.903 -4.353 -3.869 1.00 0.00 H new ATOM 1160 N GLN A 77 10.744 -2.157 -3.122 1.00 0.00 N ATOM 1161 CA GLN A 77 11.936 -2.604 -3.825 1.00 0.00 C ATOM 1162 C GLN A 77 13.151 -2.461 -2.919 1.00 0.00 C ATOM 1163 O GLN A 77 14.031 -3.321 -2.896 1.00 0.00 O ATOM 1164 CB GLN A 77 12.124 -1.793 -5.108 1.00 0.00 C ATOM 1165 CG GLN A 77 11.349 -2.348 -6.292 1.00 0.00 C ATOM 1166 CD GLN A 77 11.874 -3.695 -6.750 1.00 0.00 C ATOM 1167 OE1 GLN A 77 13.082 -3.929 -6.772 1.00 0.00 O ATOM 1168 NE2 GLN A 77 10.964 -4.591 -7.115 1.00 0.00 N ATOM 0 H GLN A 77 10.196 -1.458 -3.624 1.00 0.00 H new ATOM 0 HA GLN A 77 11.822 -3.654 -4.095 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.811 -0.765 -4.928 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.184 -1.764 -5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.298 -2.445 -6.021 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.401 -1.641 -7.120 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.973 -4.354 -7.081 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.257 -5.516 -7.429 1.00 0.00 H new ATOM 1177 N ALA A 78 13.168 -1.376 -2.152 1.00 0.00 N ATOM 1178 CA ALA A 78 14.231 -1.130 -1.190 1.00 0.00 C ATOM 1179 C ALA A 78 13.971 -1.907 0.096 1.00 0.00 C ATOM 1180 O ALA A 78 14.899 -2.241 0.835 1.00 0.00 O ATOM 1181 CB ALA A 78 14.342 0.361 -0.899 1.00 0.00 C ATOM 0 H ALA A 78 12.452 -0.650 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 78 15.175 -1.472 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.141 0.532 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.565 0.896 -1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.399 0.723 -0.489 1.00 0.00 H new ATOM 1187 N HIS A 79 12.696 -2.191 0.354 1.00 0.00 N ATOM 1188 CA HIS A 79 12.292 -2.926 1.547 1.00 0.00 C ATOM 1189 C HIS A 79 12.769 -4.374 1.486 1.00 0.00 C ATOM 1190 O HIS A 79 13.067 -4.981 2.513 1.00 0.00 O ATOM 1191 CB HIS A 79 10.768 -2.884 1.706 1.00 0.00 C ATOM 1192 CG HIS A 79 10.292 -3.301 3.063 1.00 0.00 C ATOM 1193 ND1 HIS A 79 10.920 -2.869 4.208 1.00 0.00 N ATOM 1194 CD2 HIS A 79 9.253 -4.102 3.404 1.00 0.00 C ATOM 1195 CE1 HIS A 79 10.256 -3.414 5.212 1.00 0.00 C ATOM 1196 NE2 HIS A 79 9.239 -4.168 4.772 1.00 0.00 N ATOM 0 H HIS A 79 11.922 -1.920 -0.252 1.00 0.00 H new ATOM 0 HA HIS A 79 12.755 -2.448 2.410 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.418 -1.872 1.503 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.315 -3.533 0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.569 -4.593 2.728 1.00 0.00 H new ATOM 0 HE1 HIS A 79 10.501 -3.270 6.254 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.579 -4.692 5.347 1.00 0.00 H new ATOM 1204 N GLN A 80 12.832 -4.922 0.276 1.00 0.00 N ATOM 1205 CA GLN A 80 13.271 -6.299 0.080 1.00 0.00 C ATOM 1206 C GLN A 80 14.793 -6.387 0.039 1.00 0.00 C ATOM 1207 O GLN A 80 15.362 -7.478 0.082 1.00 0.00 O ATOM 1208 CB GLN A 80 12.682 -6.863 -1.215 1.00 0.00 C ATOM 1209 CG GLN A 80 11.628 -7.935 -0.989 1.00 0.00 C ATOM 1210 CD GLN A 80 10.774 -8.182 -2.218 1.00 0.00 C ATOM 1211 OE1 GLN A 80 10.754 -9.287 -2.761 1.00 0.00 O ATOM 1212 NE2 GLN A 80 10.063 -7.153 -2.663 1.00 0.00 N ATOM 0 H GLN A 80 12.584 -4.433 -0.584 1.00 0.00 H new ATOM 0 HA GLN A 80 12.915 -6.890 0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.242 -6.048 -1.789 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.488 -7.279 -1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 80 12.117 -8.865 -0.698 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.987 -7.639 -0.159 1.00 0.00 H new ATOM 0 HE21 GLN A 80 10.110 -6.255 -2.182 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.470 -7.261 -3.486 1.00 0.00 H new ATOM 1221 N ALA A 81 15.446 -5.233 -0.051 1.00 0.00 N ATOM 1222 CA ALA A 81 16.901 -5.180 -0.106 1.00 0.00 C ATOM 1223 C ALA A 81 17.514 -5.415 1.272 1.00 0.00 C ATOM 1224 O ALA A 81 18.231 -6.394 1.483 1.00 0.00 O ATOM 1225 CB ALA A 81 17.360 -3.842 -0.667 1.00 0.00 C ATOM 0 H ALA A 81 14.989 -4.322 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 81 17.243 -5.976 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 81 18.449 -3.817 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.961 -3.713 -1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.999 -3.036 -0.028 1.00 0.00 H new ATOM 1231 N LYS A 82 17.229 -4.511 2.203 1.00 0.00 N ATOM 1232 CA LYS A 82 17.760 -4.615 3.558 1.00 0.00 C ATOM 1233 C LYS A 82 17.146 -5.797 4.300 1.00 0.00 C ATOM 1234 O LYS A 82 17.646 -6.211 5.347 1.00 0.00 O ATOM 1235 CB LYS A 82 17.497 -3.320 4.327 1.00 0.00 C ATOM 1236 CG LYS A 82 18.358 -2.156 3.864 1.00 0.00 C ATOM 1237 CD LYS A 82 17.987 -0.867 4.581 1.00 0.00 C ATOM 1238 CE LYS A 82 19.074 0.186 4.429 1.00 0.00 C ATOM 1239 NZ LYS A 82 18.507 1.530 4.129 1.00 0.00 N ATOM 0 H LYS A 82 16.634 -3.698 2.045 1.00 0.00 H new ATOM 0 HA LYS A 82 18.835 -4.779 3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.446 -3.050 4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.675 -3.494 5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.408 -2.385 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 82 18.242 -2.022 2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.048 -0.484 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.822 -1.072 5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 82 19.662 0.236 5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.755 -0.108 3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.280 2.219 4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.967 1.489 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.877 1.822 4.903 1.00 0.00 H new ATOM 1253 N GLU A 83 16.064 -6.342 3.752 1.00 0.00 N ATOM 1254 CA GLU A 83 15.390 -7.483 4.361 1.00 0.00 C ATOM 1255 C GLU A 83 15.947 -8.794 3.818 1.00 0.00 C ATOM 1256 O GLU A 83 15.797 -9.849 4.435 1.00 0.00 O ATOM 1257 CB GLU A 83 13.884 -7.412 4.106 1.00 0.00 C ATOM 1258 CG GLU A 83 13.045 -7.922 5.267 1.00 0.00 C ATOM 1259 CD GLU A 83 11.556 -7.814 5.002 1.00 0.00 C ATOM 1260 OE1 GLU A 83 11.116 -6.755 4.509 1.00 0.00 O ATOM 1261 OE2 GLU A 83 10.831 -8.791 5.288 1.00 0.00 O ATOM 0 H GLU A 83 15.636 -6.012 2.887 1.00 0.00 H new ATOM 0 HA GLU A 83 15.570 -7.447 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.608 -6.379 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.647 -7.993 3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.300 -8.963 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.292 -7.356 6.165 1.00 0.00 H new ATOM 1268 N ALA A 84 16.595 -8.718 2.659 1.00 0.00 N ATOM 1269 CA ALA A 84 17.180 -9.897 2.032 1.00 0.00 C ATOM 1270 C ALA A 84 18.364 -10.417 2.840 1.00 0.00 C ATOM 1271 O ALA A 84 18.876 -11.505 2.578 1.00 0.00 O ATOM 1272 CB ALA A 84 17.608 -9.580 0.607 1.00 0.00 C ATOM 0 H ALA A 84 16.728 -7.852 2.136 1.00 0.00 H new ATOM 0 HA ALA A 84 16.421 -10.679 2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 84 18.043 -10.470 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 84 16.740 -9.263 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 84 18.348 -8.780 0.619 1.00 0.00 H new ATOM 1278 N ALA A 85 18.789 -9.633 3.826 1.00 0.00 N ATOM 1279 CA ALA A 85 19.912 -10.012 4.676 1.00 0.00 C ATOM 1280 C ALA A 85 19.591 -11.270 5.475 1.00 0.00 C ATOM 1281 O ALA A 85 20.420 -12.175 5.584 1.00 0.00 O ATOM 1282 CB ALA A 85 20.275 -8.868 5.611 1.00 0.00 C ATOM 0 H ALA A 85 18.372 -8.731 4.056 1.00 0.00 H new ATOM 0 HA ALA A 85 20.767 -10.227 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 85 21.115 -9.164 6.240 1.00 0.00 H new ATOM 0 HB2 ALA A 85 20.553 -7.992 5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 85 19.418 -8.626 6.240 1.00 0.00 H new ATOM 1288 N GLN A 86 18.383 -11.323 6.026 1.00 0.00 N ATOM 1289 CA GLN A 86 17.950 -12.473 6.809 1.00 0.00 C ATOM 1290 C GLN A 86 17.423 -13.579 5.902 1.00 0.00 C ATOM 1291 O GLN A 86 18.038 -14.638 5.775 1.00 0.00 O ATOM 1292 CB GLN A 86 16.869 -12.058 7.808 1.00 0.00 C ATOM 1293 CG GLN A 86 17.244 -10.841 8.640 1.00 0.00 C ATOM 1294 CD GLN A 86 16.180 -10.480 9.657 1.00 0.00 C ATOM 1295 OE1 GLN A 86 15.818 -9.312 9.807 1.00 0.00 O ATOM 1296 NE2 GLN A 86 15.671 -11.483 10.363 1.00 0.00 N ATOM 0 H GLN A 86 17.687 -10.582 5.944 1.00 0.00 H new ATOM 0 HA GLN A 86 18.812 -12.855 7.356 1.00 0.00 H new ATOM 0 HB2 GLN A 86 15.947 -11.847 7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 86 16.662 -12.895 8.476 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.184 -11.034 9.156 1.00 0.00 H new ATOM 0 HG3 GLN A 86 17.412 -9.991 7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 86 16.000 -12.436 10.206 1.00 0.00 H new ATOM 0 HE22 GLN A 86 14.951 -11.301 11.062 1.00 0.00 H new ATOM 1305 N LYS A 87 16.280 -13.326 5.270 1.00 0.00 N ATOM 1306 CA LYS A 87 15.670 -14.297 4.370 1.00 0.00 C ATOM 1307 C LYS A 87 16.076 -14.030 2.925 1.00 0.00 C ATOM 1308 O LYS A 87 15.886 -12.927 2.412 1.00 0.00 O ATOM 1309 CB LYS A 87 14.146 -14.252 4.498 1.00 0.00 C ATOM 1310 CG LYS A 87 13.506 -15.624 4.645 1.00 0.00 C ATOM 1311 CD LYS A 87 12.118 -15.528 5.253 1.00 0.00 C ATOM 1312 CE LYS A 87 12.169 -15.599 6.770 1.00 0.00 C ATOM 1313 NZ LYS A 87 11.287 -16.672 7.307 1.00 0.00 N ATOM 0 H LYS A 87 15.758 -12.455 5.366 1.00 0.00 H new ATOM 0 HA LYS A 87 16.025 -15.289 4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.880 -13.642 5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.730 -13.759 3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.444 -16.104 3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.136 -16.255 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.649 -14.593 4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.495 -16.337 4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.195 -15.779 7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.868 -14.639 7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.351 -16.687 8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.304 -16.487 7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.590 -17.592 6.928 1.00 0.00 H new ATOM 1327 N ALA A 88 16.632 -15.046 2.273 1.00 0.00 N ATOM 1328 CA ALA A 88 17.064 -14.919 0.886 1.00 0.00 C ATOM 1329 C ALA A 88 15.890 -15.096 -0.073 1.00 0.00 C ATOM 1330 O ALA A 88 15.710 -16.163 -0.659 1.00 0.00 O ATOM 1331 CB ALA A 88 18.159 -15.930 0.580 1.00 0.00 C ATOM 0 H ALA A 88 16.794 -15.966 2.683 1.00 0.00 H new ATOM 0 HA ALA A 88 17.464 -13.915 0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 88 18.472 -15.824 -0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 88 19.011 -15.753 1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 88 17.779 -16.938 0.743 1.00 0.00 H new ATOM 1337 N VAL A 89 15.096 -14.040 -0.230 1.00 0.00 N ATOM 1338 CA VAL A 89 13.940 -14.075 -1.120 1.00 0.00 C ATOM 1339 C VAL A 89 14.226 -13.324 -2.417 1.00 0.00 C ATOM 1340 O VAL A 89 13.335 -13.130 -3.244 1.00 0.00 O ATOM 1341 CB VAL A 89 12.688 -13.464 -0.456 1.00 0.00 C ATOM 1342 CG1 VAL A 89 11.427 -14.145 -0.965 1.00 0.00 C ATOM 1343 CG2 VAL A 89 12.778 -13.561 1.059 1.00 0.00 C ATOM 0 H VAL A 89 15.232 -13.149 0.248 1.00 0.00 H new ATOM 0 HA VAL A 89 13.746 -15.125 -1.339 1.00 0.00 H new ATOM 0 HB VAL A 89 12.640 -12.409 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.555 -13.701 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.353 -14.014 -2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.468 -15.209 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.885 -13.124 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.855 -14.608 1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.659 -13.021 1.407 1.00 0.00 H new ATOM 1353 N ASN A 90 15.476 -12.902 -2.586 1.00 0.00 N ATOM 1354 CA ASN A 90 15.881 -12.170 -3.780 1.00 0.00 C ATOM 1355 C ASN A 90 15.988 -13.101 -4.983 1.00 0.00 C ATOM 1356 O ASN A 90 15.291 -12.923 -5.982 1.00 0.00 O ATOM 1357 CB ASN A 90 17.221 -11.471 -3.545 1.00 0.00 C ATOM 1358 CG ASN A 90 17.541 -10.451 -4.619 1.00 0.00 C ATOM 1359 OD1 ASN A 90 16.645 -9.814 -5.174 1.00 0.00 O ATOM 1360 ND2 ASN A 90 18.824 -10.289 -4.919 1.00 0.00 N ATOM 0 H ASN A 90 16.225 -13.055 -1.911 1.00 0.00 H new ATOM 0 HA ASN A 90 15.117 -11.421 -3.990 1.00 0.00 H new ATOM 0 HB2 ASN A 90 17.204 -10.977 -2.573 1.00 0.00 H new ATOM 0 HB3 ASN A 90 18.015 -12.217 -3.509 1.00 0.00 H new ATOM 0 HD21 ASN A 90 19.099 -9.616 -5.634 1.00 0.00 H new ATOM 0 HD22 ASN A 90 19.534 -10.838 -4.434 1.00 0.00 H new ATOM 1367 N SER A 91 16.867 -14.093 -4.879 1.00 0.00 N ATOM 1368 CA SER A 91 17.068 -15.053 -5.959 1.00 0.00 C ATOM 1369 C SER A 91 15.937 -16.076 -5.993 1.00 0.00 C ATOM 1370 O SER A 91 15.768 -16.794 -6.978 1.00 0.00 O ATOM 1371 CB SER A 91 18.411 -15.766 -5.790 1.00 0.00 C ATOM 1372 OG SER A 91 18.754 -16.492 -6.957 1.00 0.00 O ATOM 0 H SER A 91 17.451 -14.253 -4.058 1.00 0.00 H new ATOM 0 HA SER A 91 17.070 -14.508 -6.903 1.00 0.00 H new ATOM 0 HB2 SER A 91 19.189 -15.035 -5.571 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.362 -16.444 -4.938 1.00 0.00 H new ATOM 0 HG SER A 91 19.617 -16.937 -6.824 1.00 0.00 H new ATOM 1378 N ALA A 92 15.167 -16.135 -4.912 1.00 0.00 N ATOM 1379 CA ALA A 92 14.051 -17.068 -4.818 1.00 0.00 C ATOM 1380 C ALA A 92 12.824 -16.529 -5.545 1.00 0.00 C ATOM 1381 O ALA A 92 12.617 -15.317 -5.620 1.00 0.00 O ATOM 1382 CB ALA A 92 13.721 -17.354 -3.361 1.00 0.00 C ATOM 0 H ALA A 92 15.296 -15.547 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 92 14.347 -18.000 -5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.886 -18.052 -3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 92 14.591 -17.790 -2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.450 -16.425 -2.860 1.00 0.00 H new ATOM 1388 N THR A 93 12.013 -17.437 -6.080 1.00 0.00 N ATOM 1389 CA THR A 93 10.807 -17.054 -6.805 1.00 0.00 C ATOM 1390 C THR A 93 9.559 -17.575 -6.100 1.00 0.00 C ATOM 1391 O THR A 93 9.646 -18.409 -5.198 1.00 0.00 O ATOM 1392 CB THR A 93 10.858 -17.587 -8.238 1.00 0.00 C ATOM 1393 OG1 THR A 93 12.080 -18.265 -8.475 1.00 0.00 O ATOM 1394 CG2 THR A 93 10.722 -16.504 -9.286 1.00 0.00 C ATOM 0 H THR A 93 12.170 -18.443 -6.025 1.00 0.00 H new ATOM 0 HA THR A 93 10.759 -15.965 -6.831 1.00 0.00 H new ATOM 0 HB THR A 93 10.007 -18.262 -8.327 1.00 0.00 H new ATOM 0 HG1 THR A 93 12.095 -18.601 -9.396 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.767 -16.951 -10.279 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.767 -15.994 -9.160 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.534 -15.786 -9.175 1.00 0.00 H new ATOM 1402 N GLY A 94 8.399 -17.077 -6.518 1.00 0.00 N ATOM 1403 CA GLY A 94 7.148 -17.502 -5.917 1.00 0.00 C ATOM 1404 C GLY A 94 6.509 -18.657 -6.664 1.00 0.00 C ATOM 1405 O GLY A 94 6.420 -19.769 -6.140 1.00 0.00 O ATOM 0 H GLY A 94 8.303 -16.386 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.327 -17.797 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 94 6.455 -16.661 -5.894 1.00 0.00 H new ATOM 1409 N VAL A 95 6.063 -18.395 -7.888 1.00 0.00 N ATOM 1410 CA VAL A 95 5.430 -19.422 -8.708 1.00 0.00 C ATOM 1411 C VAL A 95 6.476 -20.244 -9.459 1.00 0.00 C ATOM 1412 O VAL A 95 7.313 -19.691 -10.173 1.00 0.00 O ATOM 1413 CB VAL A 95 4.447 -18.809 -9.724 1.00 0.00 C ATOM 1414 CG1 VAL A 95 3.496 -19.870 -10.254 1.00 0.00 C ATOM 1415 CG2 VAL A 95 3.677 -17.655 -9.099 1.00 0.00 C ATOM 0 H VAL A 95 6.128 -17.480 -8.334 1.00 0.00 H new ATOM 0 HA VAL A 95 4.876 -20.071 -8.030 1.00 0.00 H new ATOM 0 HB VAL A 95 5.021 -18.417 -10.563 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.809 -19.418 -10.970 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.067 -20.657 -10.746 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.929 -20.296 -9.427 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.989 -17.237 -9.833 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.114 -18.017 -8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.376 -16.884 -8.776 1.00 0.00 H new ATOM 1425 N PRO A 96 6.446 -21.582 -9.307 1.00 0.00 N ATOM 1426 CA PRO A 96 7.401 -22.473 -9.977 1.00 0.00 C ATOM 1427 C PRO A 96 7.242 -22.455 -11.494 1.00 0.00 C ATOM 1428 O PRO A 96 8.174 -22.110 -12.220 1.00 0.00 O ATOM 1429 CB PRO A 96 7.058 -23.858 -9.418 1.00 0.00 C ATOM 1430 CG PRO A 96 5.648 -23.745 -8.950 1.00 0.00 C ATOM 1431 CD PRO A 96 5.484 -22.330 -8.475 1.00 0.00 C ATOM 0 HA PRO A 96 8.433 -22.173 -9.794 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.160 -24.629 -10.182 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.725 -24.130 -8.600 1.00 0.00 H new ATOM 0 HG2 PRO A 96 4.950 -23.970 -9.756 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.445 -24.453 -8.146 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.464 -21.973 -8.618 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.709 -22.233 -7.413 1.00 0.00 H new ATOM 1439 N THR A 97 6.057 -22.833 -11.966 1.00 0.00 N ATOM 1440 CA THR A 97 5.778 -22.863 -13.397 1.00 0.00 C ATOM 1441 C THR A 97 5.212 -21.528 -13.869 1.00 0.00 C ATOM 1442 O THR A 97 4.617 -20.784 -13.091 1.00 0.00 O ATOM 1443 CB THR A 97 4.793 -23.988 -13.719 1.00 0.00 C ATOM 1444 OG1 THR A 97 3.564 -23.784 -13.043 1.00 0.00 O ATOM 1445 CG2 THR A 97 5.306 -25.361 -13.340 1.00 0.00 C ATOM 0 H THR A 97 5.276 -23.122 -11.378 1.00 0.00 H new ATOM 0 HA THR A 97 6.716 -23.046 -13.922 1.00 0.00 H new ATOM 0 HB THR A 97 4.660 -23.956 -14.800 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.945 -24.512 -13.262 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.558 -26.112 -13.595 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.228 -25.568 -13.883 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.501 -25.393 -12.268 1.00 0.00 H new ATOM 1453 N VAL A 98 5.400 -21.233 -15.152 1.00 0.00 N ATOM 1454 CA VAL A 98 4.906 -19.988 -15.731 1.00 0.00 C ATOM 1455 C VAL A 98 3.966 -20.263 -16.901 1.00 0.00 C ATOM 1456 O VAL A 98 3.768 -21.451 -17.231 1.00 0.00 O ATOM 1457 CB VAL A 98 6.061 -19.088 -16.213 1.00 0.00 C ATOM 1458 CG1 VAL A 98 6.341 -17.991 -15.197 1.00 0.00 C ATOM 1459 CG2 VAL A 98 7.314 -19.909 -16.481 1.00 0.00 C ATOM 1460 OXT VAL A 98 3.515 -19.287 -17.537 1.00 0.00 O ATOM 0 H VAL A 98 5.890 -21.839 -15.810 1.00 0.00 H new ATOM 0 HA VAL A 98 4.361 -19.469 -14.943 1.00 0.00 H new ATOM 0 HB VAL A 98 5.760 -18.620 -17.150 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.159 -17.365 -15.553 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.448 -17.380 -15.065 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.617 -18.440 -14.243 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.114 -19.251 -16.820 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.622 -20.413 -15.565 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.105 -20.652 -17.251 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 14.615 -1.240 11.066 1.00 0.00 N ATOM 1472 CA VAL B 1 13.449 -0.380 10.732 1.00 0.00 C ATOM 1473 C VAL B 1 13.854 0.745 9.786 1.00 0.00 C ATOM 1474 O VAL B 1 14.367 1.778 10.217 1.00 0.00 O ATOM 1475 CB VAL B 1 12.817 0.233 11.997 1.00 0.00 C ATOM 1476 CG1 VAL B 1 11.357 0.581 11.749 1.00 0.00 C ATOM 1477 CG2 VAL B 1 12.953 -0.717 13.179 1.00 0.00 C ATOM 0 H1 VAL B 1 14.279 -2.155 11.430 1.00 0.00 H new ATOM 0 H2 VAL B 1 15.187 -1.396 10.212 1.00 0.00 H new ATOM 0 H3 VAL B 1 15.196 -0.772 11.791 1.00 0.00 H new ATOM 0 HA VAL B 1 12.714 -1.020 10.244 1.00 0.00 H new ATOM 0 HB VAL B 1 13.351 1.152 12.238 1.00 0.00 H new ATOM 0 HG11 VAL B 1 10.927 1.013 12.653 1.00 0.00 H new ATOM 0 HG12 VAL B 1 11.288 1.302 10.934 1.00 0.00 H new ATOM 0 HG13 VAL B 1 10.808 -0.322 11.482 1.00 0.00 H new ATOM 0 HG21 VAL B 1 12.501 -0.266 14.062 1.00 0.00 H new ATOM 0 HG22 VAL B 1 12.447 -1.655 12.952 1.00 0.00 H new ATOM 0 HG23 VAL B 1 14.008 -0.911 13.371 1.00 0.00 H new ATOM 1489 N VAL B 2 13.626 0.536 8.494 1.00 0.00 N ATOM 1490 CA VAL B 2 13.971 1.529 7.485 1.00 0.00 C ATOM 1491 C VAL B 2 12.816 2.500 7.255 1.00 0.00 C ATOM 1492 O VAL B 2 11.648 2.110 7.283 1.00 0.00 O ATOM 1493 CB VAL B 2 14.351 0.863 6.148 1.00 0.00 C ATOM 1494 CG1 VAL B 2 13.186 0.047 5.605 1.00 0.00 C ATOM 1495 CG2 VAL B 2 14.801 1.904 5.135 1.00 0.00 C ATOM 0 H VAL B 2 13.203 -0.314 8.121 1.00 0.00 H new ATOM 0 HA VAL B 2 14.833 2.080 7.861 1.00 0.00 H new ATOM 0 HB VAL B 2 15.186 0.186 6.329 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.474 -0.415 4.661 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.920 -0.729 6.322 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.329 0.700 5.442 1.00 0.00 H new ATOM 0 HG21 VAL B 2 15.064 1.411 4.199 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.992 2.612 4.957 1.00 0.00 H new ATOM 0 HG23 VAL B 2 15.670 2.436 5.522 1.00 0.00 H new ATOM 1505 N LYS B 3 13.149 3.768 7.035 1.00 0.00 N ATOM 1506 CA LYS B 3 12.141 4.795 6.801 1.00 0.00 C ATOM 1507 C LYS B 3 11.891 4.982 5.309 1.00 0.00 C ATOM 1508 O LYS B 3 12.815 4.893 4.500 1.00 0.00 O ATOM 1509 CB LYS B 3 12.579 6.121 7.424 1.00 0.00 C ATOM 1510 CG LYS B 3 12.840 6.036 8.920 1.00 0.00 C ATOM 1511 CD LYS B 3 14.207 6.595 9.281 1.00 0.00 C ATOM 1512 CE LYS B 3 14.090 7.903 10.048 1.00 0.00 C ATOM 1513 NZ LYS B 3 14.636 9.052 9.274 1.00 0.00 N ATOM 0 H LYS B 3 14.110 4.109 7.014 1.00 0.00 H new ATOM 0 HA LYS B 3 11.212 4.469 7.270 1.00 0.00 H new ATOM 0 HB2 LYS B 3 13.485 6.465 6.925 1.00 0.00 H new ATOM 0 HB3 LYS B 3 11.809 6.871 7.240 1.00 0.00 H new ATOM 0 HG2 LYS B 3 12.068 6.587 9.457 1.00 0.00 H new ATOM 0 HG3 LYS B 3 12.774 4.997 9.243 1.00 0.00 H new ATOM 0 HD2 LYS B 3 14.752 5.867 9.882 1.00 0.00 H new ATOM 0 HD3 LYS B 3 14.787 6.756 8.372 1.00 0.00 H new ATOM 0 HE2 LYS B 3 13.043 8.091 10.287 1.00 0.00 H new ATOM 0 HE3 LYS B 3 14.623 7.817 10.995 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 14.537 9.924 9.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 15.641 8.885 9.067 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 14.111 9.150 8.382 1.00 0.00 H new ATOM 1527 N SER B 4 10.637 5.241 4.951 1.00 0.00 N ATOM 1528 CA SER B 4 10.269 5.446 3.555 1.00 0.00 C ATOM 1529 C SER B 4 10.656 6.849 3.095 1.00 0.00 C ATOM 1530 O SER B 4 11.268 7.609 3.846 1.00 0.00 O ATOM 1531 CB SER B 4 8.766 5.222 3.363 1.00 0.00 C ATOM 1532 OG SER B 4 8.420 5.209 1.988 1.00 0.00 O ATOM 0 H SER B 4 9.860 5.314 5.608 1.00 0.00 H new ATOM 0 HA SER B 4 10.813 4.722 2.948 1.00 0.00 H new ATOM 0 HB2 SER B 4 8.475 4.277 3.823 1.00 0.00 H new ATOM 0 HB3 SER B 4 8.210 6.009 3.873 1.00 0.00 H new ATOM 0 HG SER B 4 7.455 5.063 1.895 1.00 0.00 H new ATOM 1538 N ASN B 5 10.299 7.186 1.860 1.00 0.00 N ATOM 1539 CA ASN B 5 10.617 8.498 1.304 1.00 0.00 C ATOM 1540 C ASN B 5 9.385 9.393 1.285 1.00 0.00 C ATOM 1541 O ASN B 5 9.394 10.490 1.846 1.00 0.00 O ATOM 1542 CB ASN B 5 11.176 8.352 -0.113 1.00 0.00 C ATOM 1543 CG ASN B 5 12.398 7.458 -0.165 1.00 0.00 C ATOM 1544 OD1 ASN B 5 13.286 7.549 0.684 1.00 0.00 O ATOM 1545 ND2 ASN B 5 12.452 6.587 -1.165 1.00 0.00 N ATOM 0 H ASN B 5 9.790 6.571 1.225 1.00 0.00 H new ATOM 0 HA ASN B 5 11.371 8.961 1.940 1.00 0.00 H new ATOM 0 HB2 ASN B 5 10.403 7.944 -0.765 1.00 0.00 H new ATOM 0 HB3 ASN B 5 11.434 9.337 -0.502 1.00 0.00 H new ATOM 0 HD21 ASN B 5 13.251 5.959 -1.252 1.00 0.00 H new ATOM 0 HD22 ASN B 5 11.694 6.545 -1.846 1.00 0.00 H new ATOM 1552 N LEU B 6 8.322 8.919 0.644 1.00 0.00 N ATOM 1553 CA LEU B 6 7.080 9.674 0.563 1.00 0.00 C ATOM 1554 C LEU B 6 6.491 9.889 1.952 1.00 0.00 C ATOM 1555 O LEU B 6 6.665 10.949 2.555 1.00 0.00 O ATOM 1556 CB LEU B 6 6.071 8.942 -0.323 1.00 0.00 C ATOM 1557 CG LEU B 6 5.491 9.774 -1.468 1.00 0.00 C ATOM 1558 CD1 LEU B 6 4.796 8.873 -2.476 1.00 0.00 C ATOM 1559 CD2 LEU B 6 4.527 10.822 -0.934 1.00 0.00 C ATOM 0 H LEU B 6 8.297 8.015 0.173 1.00 0.00 H new ATOM 0 HA LEU B 6 7.299 10.647 0.123 1.00 0.00 H new ATOM 0 HB2 LEU B 6 6.553 8.059 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU B 6 5.250 8.590 0.302 1.00 0.00 H new ATOM 0 HG LEU B 6 6.310 10.289 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.388 9.479 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.514 8.160 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.987 8.333 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.125 11.403 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.710 10.330 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.054 11.485 -0.248 1.00 0.00 H new ATOM 1571 N ASN B 7 5.804 8.870 2.461 1.00 0.00 N ATOM 1572 CA ASN B 7 5.205 8.940 3.786 1.00 0.00 C ATOM 1573 C ASN B 7 6.203 8.513 4.855 1.00 0.00 C ATOM 1574 O ASN B 7 6.633 7.360 4.883 1.00 0.00 O ATOM 1575 CB ASN B 7 3.976 8.040 3.865 1.00 0.00 C ATOM 1576 CG ASN B 7 2.843 8.670 4.650 1.00 0.00 C ATOM 1577 OD1 ASN B 7 2.884 8.519 5.968 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 1.943 9.285 4.079 1.00 0.00 N flip ATOM 0 H ASN B 7 5.650 7.987 1.974 1.00 0.00 H new ATOM 0 HA ASN B 7 4.911 9.975 3.963 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.632 7.812 2.856 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.252 7.093 4.329 1.00 0.00 H new ATOM 0 HD21 ASN B 7 1.952 9.376 3.063 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.188 9.704 4.622 1.00 0.00 H new ATOM 1585 N PRO B 8 6.561 9.423 5.775 1.00 0.00 N ATOM 1586 CA PRO B 8 7.503 9.119 6.848 1.00 0.00 C ATOM 1587 C PRO B 8 6.878 8.236 7.922 1.00 0.00 C ATOM 1588 O PRO B 8 7.488 7.977 8.960 1.00 0.00 O ATOM 1589 CB PRO B 8 7.864 10.496 7.431 1.00 0.00 C ATOM 1590 CG PRO B 8 7.264 11.501 6.501 1.00 0.00 C ATOM 1591 CD PRO B 8 6.108 10.817 5.833 1.00 0.00 C ATOM 0 HA PRO B 8 8.368 8.567 6.481 1.00 0.00 H new ATOM 0 HB2 PRO B 8 7.467 10.610 8.440 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.945 10.621 7.498 1.00 0.00 H new ATOM 0 HG2 PRO B 8 6.931 12.385 7.045 1.00 0.00 H new ATOM 0 HG3 PRO B 8 7.996 11.836 5.766 1.00 0.00 H new ATOM 0 HD2 PRO B 8 5.187 10.922 6.406 1.00 0.00 H new ATOM 0 HD3 PRO B 8 5.914 11.223 4.840 1.00 0.00 H new ATOM 1599 N ASN B 9 5.656 7.779 7.664 1.00 0.00 N ATOM 1600 CA ASN B 9 4.945 6.923 8.606 1.00 0.00 C ATOM 1601 C ASN B 9 4.546 5.607 7.948 1.00 0.00 C ATOM 1602 O ASN B 9 3.459 5.085 8.189 1.00 0.00 O ATOM 1603 CB ASN B 9 3.702 7.641 9.138 1.00 0.00 C ATOM 1604 CG ASN B 9 4.050 8.832 10.011 1.00 0.00 C ATOM 1605 OD1 ASN B 9 5.219 9.092 10.291 1.00 0.00 O ATOM 1606 ND2 ASN B 9 3.029 9.562 10.447 1.00 0.00 N ATOM 0 H ASN B 9 5.138 7.988 6.810 1.00 0.00 H new ATOM 0 HA ASN B 9 5.613 6.703 9.439 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.092 7.975 8.299 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.098 6.938 9.711 1.00 0.00 H new ATOM 0 HD21 ASN B 9 3.199 10.375 11.039 1.00 0.00 H new ATOM 0 HD22 ASN B 9 2.075 9.309 10.190 1.00 0.00 H new ATOM 1613 N ALA B 10 5.436 5.080 7.113 1.00 0.00 N ATOM 1614 CA ALA B 10 5.183 3.834 6.399 1.00 0.00 C ATOM 1615 C ALA B 10 4.928 2.669 7.355 1.00 0.00 C ATOM 1616 O ALA B 10 5.851 1.937 7.717 1.00 0.00 O ATOM 1617 CB ALA B 10 6.353 3.516 5.480 1.00 0.00 C ATOM 0 H ALA B 10 6.344 5.500 6.914 1.00 0.00 H new ATOM 0 HA ALA B 10 4.280 3.970 5.804 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.157 2.584 4.950 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.479 4.324 4.759 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.263 3.412 6.072 1.00 0.00 H new ATOM 1623 N LYS B 11 3.666 2.484 7.736 1.00 0.00 N ATOM 1624 CA LYS B 11 3.274 1.378 8.604 1.00 0.00 C ATOM 1625 C LYS B 11 2.400 0.400 7.829 1.00 0.00 C ATOM 1626 O LYS B 11 1.373 0.788 7.284 1.00 0.00 O ATOM 1627 CB LYS B 11 2.522 1.894 9.833 1.00 0.00 C ATOM 1628 CG LYS B 11 3.149 3.130 10.456 1.00 0.00 C ATOM 1629 CD LYS B 11 3.050 3.100 11.972 1.00 0.00 C ATOM 1630 CE LYS B 11 3.879 4.206 12.607 1.00 0.00 C ATOM 1631 NZ LYS B 11 3.160 5.511 12.603 1.00 0.00 N ATOM 0 H LYS B 11 2.895 3.089 7.455 1.00 0.00 H new ATOM 0 HA LYS B 11 4.174 0.866 8.944 1.00 0.00 H new ATOM 0 HB2 LYS B 11 1.494 2.122 9.550 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.479 1.102 10.581 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.196 3.197 10.160 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.652 4.023 10.075 1.00 0.00 H new ATOM 0 HD2 LYS B 11 2.008 3.208 12.272 1.00 0.00 H new ATOM 0 HD3 LYS B 11 3.389 2.132 12.341 1.00 0.00 H new ATOM 0 HE2 LYS B 11 4.127 3.931 13.632 1.00 0.00 H new ATOM 0 HE3 LYS B 11 4.821 4.309 12.068 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 3.851 6.288 12.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 2.575 5.582 11.746 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 2.552 5.575 13.444 1.00 0.00 H new ATOM 1645 N GLU B 12 2.822 -0.864 7.785 1.00 0.00 N ATOM 1646 CA GLU B 12 2.123 -1.899 7.018 1.00 0.00 C ATOM 1647 C GLU B 12 0.610 -1.897 7.252 1.00 0.00 C ATOM 1648 O GLU B 12 0.104 -1.236 8.158 1.00 0.00 O ATOM 1649 CB GLU B 12 2.689 -3.277 7.370 1.00 0.00 C ATOM 1650 CG GLU B 12 4.207 -3.344 7.316 1.00 0.00 C ATOM 1651 CD GLU B 12 4.784 -4.317 8.326 1.00 0.00 C ATOM 1652 OE1 GLU B 12 4.117 -5.330 8.624 1.00 0.00 O ATOM 1653 OE2 GLU B 12 5.904 -4.065 8.819 1.00 0.00 O ATOM 0 H GLU B 12 3.651 -1.199 8.275 1.00 0.00 H new ATOM 0 HA GLU B 12 2.288 -1.675 5.964 1.00 0.00 H new ATOM 0 HB2 GLU B 12 2.357 -3.552 8.371 1.00 0.00 H new ATOM 0 HB3 GLU B 12 2.276 -4.016 6.683 1.00 0.00 H new ATOM 0 HG2 GLU B 12 4.519 -3.639 6.314 1.00 0.00 H new ATOM 0 HG3 GLU B 12 4.618 -2.351 7.498 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.094 -2.690 6.445 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.547 -2.814 6.540 1.00 0.00 C ATOM 1662 C PHE B 13 -1.905 -3.887 7.557 1.00 0.00 C ATOM 1663 O PHE B 13 -1.932 -5.075 7.235 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.127 -3.187 5.165 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.509 -2.655 4.876 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.214 -1.910 5.814 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -4.105 -2.908 3.646 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.479 -1.431 5.529 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.368 -2.431 3.357 1.00 0.00 C ATOM 1670 CZ PHE B 13 -6.054 -1.690 4.299 1.00 0.00 C ATOM 0 H PHE B 13 0.324 -3.261 5.711 1.00 0.00 H new ATOM 0 HA PHE B 13 -1.969 -1.861 6.860 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.448 -2.824 4.393 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.151 -4.274 5.083 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.769 -1.703 6.776 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.572 -3.486 2.906 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.018 -0.855 6.267 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.818 -2.637 2.397 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.041 -1.313 4.074 1.00 0.00 H new ATOM 1680 N VAL B 14 -2.129 -3.469 8.797 1.00 0.00 N ATOM 1681 CA VAL B 14 -2.416 -4.416 9.873 1.00 0.00 C ATOM 1682 C VAL B 14 -3.736 -4.116 10.592 1.00 0.00 C ATOM 1683 O VAL B 14 -4.579 -5.004 10.725 1.00 0.00 O ATOM 1684 CB VAL B 14 -1.272 -4.456 10.908 1.00 0.00 C ATOM 1685 CG1 VAL B 14 -1.471 -5.607 11.882 1.00 0.00 C ATOM 1686 CG2 VAL B 14 0.077 -4.563 10.211 1.00 0.00 C ATOM 0 H VAL B 14 -2.118 -2.490 9.083 1.00 0.00 H new ATOM 0 HA VAL B 14 -2.507 -5.390 9.392 1.00 0.00 H new ATOM 0 HB VAL B 14 -1.288 -3.525 11.475 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -0.654 -5.618 12.604 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -2.418 -5.480 12.407 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -1.484 -6.549 11.334 1.00 0.00 H new ATOM 0 HG21 VAL B 14 0.871 -4.590 10.957 1.00 0.00 H new ATOM 0 HG22 VAL B 14 0.108 -5.476 9.616 1.00 0.00 H new ATOM 0 HG23 VAL B 14 0.220 -3.700 9.560 1.00 0.00 H new ATOM 1696 N PRO B 15 -3.927 -2.884 11.109 1.00 0.00 N ATOM 1697 CA PRO B 15 -5.148 -2.517 11.840 1.00 0.00 C ATOM 1698 C PRO B 15 -6.418 -2.852 11.065 1.00 0.00 C ATOM 1699 O PRO B 15 -7.439 -3.207 11.654 1.00 0.00 O ATOM 1700 CB PRO B 15 -5.025 -1.000 12.036 1.00 0.00 C ATOM 1701 CG PRO B 15 -3.911 -0.570 11.141 1.00 0.00 C ATOM 1702 CD PRO B 15 -2.995 -1.750 11.030 1.00 0.00 C ATOM 0 HA PRO B 15 -5.231 -3.070 12.775 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -5.955 -0.494 11.776 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -4.809 -0.755 13.076 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -4.288 -0.275 10.162 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -3.388 0.293 11.554 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -2.439 -1.746 10.092 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -2.261 -1.771 11.835 1.00 0.00 H new ATOM 1710 N GLY B 16 -6.352 -2.729 9.743 1.00 0.00 N ATOM 1711 CA GLY B 16 -7.509 -3.012 8.914 1.00 0.00 C ATOM 1712 C GLY B 16 -8.511 -1.875 8.917 1.00 0.00 C ATOM 1713 O GLY B 16 -9.359 -1.786 8.030 1.00 0.00 O ATOM 0 H GLY B 16 -5.519 -2.439 9.232 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -7.183 -3.203 7.892 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -7.994 -3.921 9.269 1.00 0.00 H new ATOM 1717 N VAL B 17 -8.408 -1.003 9.915 1.00 0.00 N ATOM 1718 CA VAL B 17 -9.299 0.144 10.032 1.00 0.00 C ATOM 1719 C VAL B 17 -8.646 1.394 9.448 1.00 0.00 C ATOM 1720 O VAL B 17 -7.589 1.313 8.824 1.00 0.00 O ATOM 1721 CB VAL B 17 -9.682 0.406 11.502 1.00 0.00 C ATOM 1722 CG1 VAL B 17 -10.545 -0.725 12.038 1.00 0.00 C ATOM 1723 CG2 VAL B 17 -8.434 0.584 12.357 1.00 0.00 C ATOM 0 H VAL B 17 -7.712 -1.071 10.658 1.00 0.00 H new ATOM 0 HA VAL B 17 -10.204 -0.087 9.470 1.00 0.00 H new ATOM 0 HB VAL B 17 -10.261 1.328 11.548 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -10.806 -0.523 13.077 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -11.456 -0.801 11.444 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -9.993 -1.663 11.978 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -8.725 0.768 13.391 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -7.826 -0.319 12.306 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -7.857 1.431 11.986 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.277 2.546 9.655 1.00 0.00 N ATOM 1734 CA LYS B 18 -8.750 3.804 9.141 1.00 0.00 C ATOM 1735 C LYS B 18 -7.361 4.075 9.709 1.00 0.00 C ATOM 1736 O LYS B 18 -7.221 4.585 10.821 1.00 0.00 O ATOM 1737 CB LYS B 18 -9.690 4.959 9.489 1.00 0.00 C ATOM 1738 CG LYS B 18 -10.950 4.995 8.641 1.00 0.00 C ATOM 1739 CD LYS B 18 -11.738 6.274 8.871 1.00 0.00 C ATOM 1740 CE LYS B 18 -13.226 6.060 8.645 1.00 0.00 C ATOM 1741 NZ LYS B 18 -13.905 7.306 8.191 1.00 0.00 N ATOM 0 H LYS B 18 -10.151 2.634 10.173 1.00 0.00 H new ATOM 0 HA LYS B 18 -8.676 3.724 8.056 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -9.971 4.884 10.539 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -9.155 5.901 9.369 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.683 4.915 7.587 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -11.574 4.134 8.878 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.571 6.628 9.888 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.375 7.052 8.199 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -13.371 5.276 7.901 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.687 5.712 9.569 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.918 7.117 8.048 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.789 8.047 8.912 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -13.483 7.625 7.296 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.340 3.717 8.940 1.00 0.00 N ATOM 1756 CA TYR B 19 -4.960 3.900 9.363 1.00 0.00 C ATOM 1757 C TYR B 19 -4.468 5.306 9.034 1.00 0.00 C ATOM 1758 O TYR B 19 -4.068 5.586 7.904 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.065 2.854 8.689 1.00 0.00 C ATOM 1760 CG TYR B 19 -2.925 2.353 9.553 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -2.856 2.651 10.912 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -1.918 1.569 9.005 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -1.817 2.182 11.693 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -0.876 1.101 9.778 1.00 0.00 C ATOM 1765 CZ TYR B 19 -0.829 1.407 11.121 1.00 0.00 C ATOM 1766 OH TYR B 19 0.209 0.941 11.894 1.00 0.00 O ATOM 0 H TYR B 19 -6.444 3.297 8.017 1.00 0.00 H new ATOM 0 HA TYR B 19 -4.912 3.770 10.444 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -4.680 2.004 8.393 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -3.651 3.282 7.776 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -3.627 3.258 11.363 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.951 1.321 7.954 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -1.778 2.421 12.746 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.100 0.497 9.332 1.00 0.00 H new ATOM 0 HH TYR B 19 0.682 0.230 11.413 1.00 0.00 H new ATOM 1776 N GLY B 20 -4.503 6.186 10.029 1.00 0.00 N ATOM 1777 CA GLY B 20 -4.060 7.554 9.828 1.00 0.00 C ATOM 1778 C GLY B 20 -5.109 8.407 9.143 1.00 0.00 C ATOM 1779 O GLY B 20 -5.273 8.343 7.925 1.00 0.00 O ATOM 0 H GLY B 20 -4.830 5.976 10.972 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -3.808 7.997 10.792 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -3.149 7.554 9.230 1.00 0.00 H new ATOM 1783 N ASN B 21 -5.821 9.208 9.929 1.00 0.00 N ATOM 1784 CA ASN B 21 -6.861 10.080 9.395 1.00 0.00 C ATOM 1785 C ASN B 21 -6.284 11.432 8.988 1.00 0.00 C ATOM 1786 O ASN B 21 -6.909 12.184 8.241 1.00 0.00 O ATOM 1787 CB ASN B 21 -7.969 10.277 10.430 1.00 0.00 C ATOM 1788 CG ASN B 21 -9.117 11.111 9.897 1.00 0.00 C ATOM 1789 OD1 ASN B 21 -9.943 10.628 9.122 1.00 0.00 O ATOM 1790 ND2 ASN B 21 -9.172 12.372 10.309 1.00 0.00 N ATOM 0 H ASN B 21 -5.696 9.271 10.939 1.00 0.00 H new ATOM 0 HA ASN B 21 -7.280 9.603 8.509 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -8.346 9.304 10.744 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -7.554 10.759 11.315 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -9.921 12.983 9.983 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -8.466 12.730 10.952 1.00 0.00 H new ATOM 1797 N ILE B 22 -5.086 11.732 9.482 1.00 0.00 N ATOM 1798 CA ILE B 22 -4.425 12.995 9.168 1.00 0.00 C ATOM 1799 C ILE B 22 -3.109 12.757 8.433 1.00 0.00 C ATOM 1800 O ILE B 22 -3.060 13.010 7.212 1.00 0.00 O ATOM 1801 CB ILE B 22 -4.150 13.821 10.439 1.00 0.00 C ATOM 1802 CG1 ILE B 22 -5.290 13.653 11.445 1.00 0.00 C ATOM 1803 CG2 ILE B 22 -3.962 15.289 10.087 1.00 0.00 C ATOM 1804 CD1 ILE B 22 -4.840 13.108 12.783 1.00 0.00 C ATOM 1805 OXT ILE B 22 -2.138 12.320 9.087 1.00 0.00 O ATOM 0 H ILE B 22 -4.554 11.119 10.100 1.00 0.00 H new ATOM 0 HA ILE B 22 -5.103 13.554 8.524 1.00 0.00 H new ATOM 0 HB ILE B 22 -3.231 13.455 10.897 1.00 0.00 H new ATOM 0 HG12 ILE B 22 -5.773 14.618 11.599 1.00 0.00 H new ATOM 0 HG13 ILE B 22 -6.040 12.984 11.023 1.00 0.00 H new ATOM 0 HG21 ILE B 22 -3.769 15.859 10.996 1.00 0.00 H new ATOM 0 HG22 ILE B 22 -3.118 15.395 9.406 1.00 0.00 H new ATOM 0 HG23 ILE B 22 -4.865 15.667 9.607 1.00 0.00 H new ATOM 0 HD11 ILE B 22 -5.700 13.015 13.446 1.00 0.00 H new ATOM 0 HD12 ILE B 22 -4.383 12.128 12.642 1.00 0.00 H new ATOM 0 HD13 ILE B 22 -4.112 13.787 13.226 1.00 0.00 H new TER 1817 ILE B 22