USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 641 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 55 THR OG1 : rot 4:sc= 0.059 USER MOD Set 1.2: A 59 HIS :FLIP no HD1:sc= -1.3 F(o=-2.3,f=-1.2) USER MOD Set 2.1: A 41 GLN : amide:sc= -1.71 K(o=-1.7,f=-2.9!) USER MOD Set 2.2: A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0556 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.4) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -9.25! C(o=-15!,f=-9.2!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -160:sc= -0.314 (180deg=-1.07) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot -72:sc= -2.8! USER MOD Single : A 36 GLN : amide:sc= -13.4! C(o=-13!,f=-16!) USER MOD Single : A 39 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.057) USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00833) USER MOD Single : A 46 THR OG1 : rot -47:sc= -8.2! USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 141:sc= -0.937 (180deg=-2.09!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.787 K(o=-0.79,f=-2.6!) USER MOD Single : A 83 GLN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.666 -19.664 8.206 1.00 0.00 N ATOM 2 CA GLY A 1 19.318 -19.042 8.107 1.00 0.00 C ATOM 3 C GLY A 1 18.921 -18.310 9.375 1.00 0.00 C ATOM 4 O GLY A 1 19.768 -18.030 10.224 1.00 0.00 O ATOM 0 H1 GLY A 1 21.266 -19.319 7.430 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.099 -19.411 9.117 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.577 -20.698 8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.304 -18.345 7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.580 -19.815 7.891 1.00 0.00 H new ATOM 10 N PRO A 2 17.626 -17.983 9.536 1.00 0.00 N ATOM 11 CA PRO A 2 17.132 -17.277 10.723 1.00 0.00 C ATOM 12 C PRO A 2 17.555 -17.958 12.020 1.00 0.00 C ATOM 13 O PRO A 2 17.622 -19.185 12.096 1.00 0.00 O ATOM 14 CB PRO A 2 15.611 -17.331 10.562 1.00 0.00 C ATOM 15 CG PRO A 2 15.390 -17.469 9.096 1.00 0.00 C ATOM 16 CD PRO A 2 16.546 -18.278 8.577 1.00 0.00 C ATOM 0 HA PRO A 2 17.531 -16.265 10.790 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.185 -18.173 11.108 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.140 -16.428 10.950 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.442 -17.966 8.889 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.350 -16.492 8.614 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.312 -19.342 8.550 1.00 0.00 H new ATOM 0 HD3 PRO A 2 16.818 -17.986 7.563 1.00 0.00 H new ATOM 24 N LEU A 3 17.842 -17.153 13.038 1.00 0.00 N ATOM 25 CA LEU A 3 18.259 -17.679 14.333 1.00 0.00 C ATOM 26 C LEU A 3 17.468 -17.031 15.465 1.00 0.00 C ATOM 27 O LEU A 3 16.984 -17.714 16.368 1.00 0.00 O ATOM 28 CB LEU A 3 19.757 -17.445 14.542 1.00 0.00 C ATOM 29 CG LEU A 3 20.655 -17.960 13.417 1.00 0.00 C ATOM 30 CD1 LEU A 3 21.956 -17.173 13.370 1.00 0.00 C ATOM 31 CD2 LEU A 3 20.935 -19.444 13.598 1.00 0.00 C ATOM 0 H LEU A 3 17.794 -16.135 12.991 1.00 0.00 H new ATOM 0 HA LEU A 3 18.060 -18.751 14.343 1.00 0.00 H new ATOM 0 HB2 LEU A 3 19.929 -16.375 14.663 1.00 0.00 H new ATOM 0 HB3 LEU A 3 20.058 -17.923 15.474 1.00 0.00 H new ATOM 0 HG LEU A 3 20.135 -17.820 12.469 1.00 0.00 H new ATOM 0 HD11 LEU A 3 22.582 -17.554 12.563 1.00 0.00 H new ATOM 0 HD12 LEU A 3 21.738 -16.120 13.194 1.00 0.00 H new ATOM 0 HD13 LEU A 3 22.481 -17.281 14.319 1.00 0.00 H new ATOM 0 HD21 LEU A 3 21.576 -19.795 12.789 1.00 0.00 H new ATOM 0 HD22 LEU A 3 21.435 -19.606 14.553 1.00 0.00 H new ATOM 0 HD23 LEU A 3 19.995 -19.996 13.582 1.00 0.00 H new ATOM 43 N GLY A 4 17.342 -15.709 15.411 1.00 0.00 N ATOM 44 CA GLY A 4 16.609 -14.992 16.437 1.00 0.00 C ATOM 45 C GLY A 4 17.116 -13.577 16.631 1.00 0.00 C ATOM 46 O GLY A 4 16.354 -12.681 16.995 1.00 0.00 O ATOM 0 H GLY A 4 17.734 -15.122 14.675 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.552 -14.963 16.171 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.685 -15.534 17.379 1.00 0.00 H new ATOM 50 N SER A 5 18.407 -13.375 16.387 1.00 0.00 N ATOM 51 CA SER A 5 19.017 -12.059 16.537 1.00 0.00 C ATOM 52 C SER A 5 18.692 -11.170 15.337 1.00 0.00 C ATOM 53 O SER A 5 19.045 -11.496 14.203 1.00 0.00 O ATOM 54 CB SER A 5 20.533 -12.192 16.690 1.00 0.00 C ATOM 55 OG SER A 5 20.866 -12.969 17.828 1.00 0.00 O ATOM 0 H SER A 5 19.051 -14.106 16.085 1.00 0.00 H new ATOM 0 HA SER A 5 18.607 -11.595 17.434 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.953 -12.653 15.796 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.981 -11.202 16.778 1.00 0.00 H new ATOM 0 HG SER A 5 21.841 -13.040 17.902 1.00 0.00 H new ATOM 61 N PRO A 6 18.012 -10.030 15.566 1.00 0.00 N ATOM 62 CA PRO A 6 17.647 -9.103 14.490 1.00 0.00 C ATOM 63 C PRO A 6 18.861 -8.386 13.908 1.00 0.00 C ATOM 64 O PRO A 6 18.862 -7.996 12.740 1.00 0.00 O ATOM 65 CB PRO A 6 16.716 -8.104 15.180 1.00 0.00 C ATOM 66 CG PRO A 6 17.115 -8.142 16.613 1.00 0.00 C ATOM 67 CD PRO A 6 17.548 -9.556 16.884 1.00 0.00 C ATOM 0 HA PRO A 6 17.189 -9.619 13.646 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.831 -7.103 14.764 1.00 0.00 H new ATOM 0 HB3 PRO A 6 15.670 -8.384 15.053 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.926 -7.441 16.811 1.00 0.00 H new ATOM 0 HG3 PRO A 6 16.283 -7.858 17.258 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.343 -9.597 17.629 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.725 -10.163 17.262 1.00 0.00 H new ATOM 75 N ILE A 7 19.891 -8.214 14.730 1.00 0.00 N ATOM 76 CA ILE A 7 21.106 -7.544 14.302 1.00 0.00 C ATOM 77 C ILE A 7 22.160 -8.548 13.841 1.00 0.00 C ATOM 78 O ILE A 7 23.356 -8.354 14.061 1.00 0.00 O ATOM 79 CB ILE A 7 21.698 -6.676 15.429 1.00 0.00 C ATOM 80 CG1 ILE A 7 20.607 -5.818 16.071 1.00 0.00 C ATOM 81 CG2 ILE A 7 22.819 -5.798 14.889 1.00 0.00 C ATOM 82 CD1 ILE A 7 21.023 -5.193 17.385 1.00 0.00 C ATOM 0 H ILE A 7 19.905 -8.532 15.699 1.00 0.00 H new ATOM 0 HA ILE A 7 20.831 -6.902 13.465 1.00 0.00 H new ATOM 0 HB ILE A 7 22.112 -7.334 16.193 1.00 0.00 H new ATOM 0 HG12 ILE A 7 20.322 -5.028 15.376 1.00 0.00 H new ATOM 0 HG13 ILE A 7 19.722 -6.433 16.235 1.00 0.00 H new ATOM 0 HG21 ILE A 7 23.227 -5.191 15.697 1.00 0.00 H new ATOM 0 HG22 ILE A 7 23.607 -6.427 14.475 1.00 0.00 H new ATOM 0 HG23 ILE A 7 22.427 -5.146 14.108 1.00 0.00 H new ATOM 0 HD11 ILE A 7 20.200 -4.599 17.782 1.00 0.00 H new ATOM 0 HD12 ILE A 7 21.280 -5.978 18.096 1.00 0.00 H new ATOM 0 HD13 ILE A 7 21.889 -4.551 17.225 1.00 0.00 H new ATOM 94 N GLY A 8 21.709 -9.622 13.199 1.00 0.00 N ATOM 95 CA GLY A 8 22.626 -10.638 12.718 1.00 0.00 C ATOM 96 C GLY A 8 22.017 -11.501 11.631 1.00 0.00 C ATOM 97 O GLY A 8 22.277 -11.294 10.446 1.00 0.00 O ATOM 0 H GLY A 8 20.725 -9.806 13.004 1.00 0.00 H new ATOM 0 HA2 GLY A 8 23.527 -10.158 12.335 1.00 0.00 H new ATOM 0 HA3 GLY A 8 22.932 -11.271 13.551 1.00 0.00 H new ATOM 101 N ALA A 9 21.203 -12.472 12.035 1.00 0.00 N ATOM 102 CA ALA A 9 20.555 -13.369 11.086 1.00 0.00 C ATOM 103 C ALA A 9 19.671 -12.594 10.115 1.00 0.00 C ATOM 104 O ALA A 9 19.542 -12.963 8.948 1.00 0.00 O ATOM 105 CB ALA A 9 19.736 -14.416 11.826 1.00 0.00 C ATOM 0 H ALA A 9 20.977 -12.657 13.012 1.00 0.00 H new ATOM 0 HA ALA A 9 21.332 -13.871 10.509 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.257 -15.079 11.106 1.00 0.00 H new ATOM 0 HB2 ALA A 9 20.390 -14.997 12.476 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.973 -13.922 12.428 1.00 0.00 H new ATOM 111 N LEU A 10 19.065 -11.517 10.603 1.00 0.00 N ATOM 112 CA LEU A 10 18.194 -10.688 9.778 1.00 0.00 C ATOM 113 C LEU A 10 18.992 -9.978 8.690 1.00 0.00 C ATOM 114 O LEU A 10 18.559 -9.898 7.540 1.00 0.00 O ATOM 115 CB LEU A 10 17.462 -9.662 10.644 1.00 0.00 C ATOM 116 CG LEU A 10 16.133 -9.162 10.074 1.00 0.00 C ATOM 117 CD1 LEU A 10 15.016 -10.145 10.386 1.00 0.00 C ATOM 118 CD2 LEU A 10 15.802 -7.784 10.626 1.00 0.00 C ATOM 0 H LEU A 10 19.161 -11.197 11.567 1.00 0.00 H new ATOM 0 HA LEU A 10 17.460 -11.337 9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.277 -10.103 11.624 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.118 -8.806 10.799 1.00 0.00 H new ATOM 0 HG LEU A 10 16.229 -9.084 8.991 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.078 -9.773 9.973 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.249 -11.113 9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 10 14.919 -10.254 11.466 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.854 -7.444 10.210 1.00 0.00 H new ATOM 0 HD22 LEU A 10 15.724 -7.836 11.712 1.00 0.00 H new ATOM 0 HD23 LEU A 10 16.591 -7.083 10.352 1.00 0.00 H new ATOM 130 N ALA A 11 20.161 -9.464 9.060 1.00 0.00 N ATOM 131 CA ALA A 11 21.022 -8.760 8.117 1.00 0.00 C ATOM 132 C ALA A 11 20.342 -7.504 7.584 1.00 0.00 C ATOM 133 O ALA A 11 19.133 -7.489 7.353 1.00 0.00 O ATOM 134 CB ALA A 11 21.411 -9.679 6.969 1.00 0.00 C ATOM 0 H ALA A 11 20.534 -9.522 10.008 1.00 0.00 H new ATOM 0 HA ALA A 11 21.925 -8.456 8.646 1.00 0.00 H new ATOM 0 HB1 ALA A 11 22.054 -9.140 6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 11 21.946 -10.544 7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.513 -10.012 6.449 1.00 0.00 H new ATOM 140 N SER A 12 21.128 -6.449 7.388 1.00 0.00 N ATOM 141 CA SER A 12 20.603 -5.187 6.881 1.00 0.00 C ATOM 142 C SER A 12 20.248 -5.301 5.402 1.00 0.00 C ATOM 143 O SER A 12 19.290 -4.685 4.934 1.00 0.00 O ATOM 144 CB SER A 12 21.623 -4.065 7.089 1.00 0.00 C ATOM 145 OG SER A 12 21.747 -3.736 8.461 1.00 0.00 O ATOM 0 H SER A 12 22.131 -6.444 7.573 1.00 0.00 H new ATOM 0 HA SER A 12 19.696 -4.950 7.437 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.592 -4.373 6.697 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.317 -3.183 6.527 1.00 0.00 H new ATOM 0 HG SER A 12 22.406 -3.018 8.567 1.00 0.00 H new ATOM 151 N ALA A 13 21.026 -6.093 4.673 1.00 0.00 N ATOM 152 CA ALA A 13 20.793 -6.288 3.248 1.00 0.00 C ATOM 153 C ALA A 13 19.426 -6.914 3.000 1.00 0.00 C ATOM 154 O ALA A 13 18.703 -6.512 2.088 1.00 0.00 O ATOM 155 CB ALA A 13 21.890 -7.155 2.648 1.00 0.00 C ATOM 0 H ALA A 13 21.823 -6.610 5.045 1.00 0.00 H new ATOM 0 HA ALA A 13 20.812 -5.312 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.703 -7.293 1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.855 -6.668 2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.898 -8.126 3.143 1.00 0.00 H new ATOM 161 N LEU A 14 19.078 -7.900 3.818 1.00 0.00 N ATOM 162 CA LEU A 14 17.798 -8.586 3.694 1.00 0.00 C ATOM 163 C LEU A 14 16.677 -7.775 4.339 1.00 0.00 C ATOM 164 O LEU A 14 15.514 -7.891 3.954 1.00 0.00 O ATOM 165 CB LEU A 14 17.876 -9.968 4.341 1.00 0.00 C ATOM 166 CG LEU A 14 18.645 -11.018 3.538 1.00 0.00 C ATOM 167 CD1 LEU A 14 19.382 -11.968 4.468 1.00 0.00 C ATOM 168 CD2 LEU A 14 17.701 -11.787 2.627 1.00 0.00 C ATOM 0 H LEU A 14 19.667 -8.243 4.577 1.00 0.00 H new ATOM 0 HA LEU A 14 17.576 -8.697 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.344 -9.868 5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 14 16.862 -10.332 4.508 1.00 0.00 H new ATOM 0 HG LEU A 14 19.381 -10.506 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.923 -12.708 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 14 20.087 -11.405 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.665 -12.474 5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.265 -12.530 2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.942 -12.287 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.219 -11.096 1.936 1.00 0.00 H new ATOM 180 N ALA A 15 17.036 -6.956 5.323 1.00 0.00 N ATOM 181 CA ALA A 15 16.059 -6.130 6.023 1.00 0.00 C ATOM 182 C ALA A 15 15.336 -5.193 5.060 1.00 0.00 C ATOM 183 O ALA A 15 14.236 -4.721 5.350 1.00 0.00 O ATOM 184 CB ALA A 15 16.738 -5.334 7.126 1.00 0.00 C ATOM 0 H ALA A 15 17.995 -6.847 5.653 1.00 0.00 H new ATOM 0 HA ALA A 15 15.316 -6.791 6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.998 -4.721 7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.200 -6.019 7.837 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.503 -4.690 6.692 1.00 0.00 H new ATOM 190 N ASN A 16 15.956 -4.926 3.915 1.00 0.00 N ATOM 191 CA ASN A 16 15.364 -4.045 2.915 1.00 0.00 C ATOM 192 C ASN A 16 15.049 -4.812 1.632 1.00 0.00 C ATOM 193 O ASN A 16 15.952 -5.233 0.909 1.00 0.00 O ATOM 194 CB ASN A 16 16.302 -2.870 2.617 1.00 0.00 C ATOM 195 CG ASN A 16 17.560 -3.291 1.880 1.00 0.00 C ATOM 196 OD1 ASN A 16 17.706 -3.039 0.684 1.00 0.00 O ATOM 197 ND2 ASN A 16 18.477 -3.938 2.590 1.00 0.00 N ATOM 0 H ASN A 16 16.867 -5.306 3.657 1.00 0.00 H new ATOM 0 HA ASN A 16 14.429 -3.654 3.316 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.769 -2.128 2.022 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.580 -2.387 3.554 1.00 0.00 H new ATOM 0 HD21 ASN A 16 19.342 -4.246 2.146 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.316 -4.127 3.579 1.00 0.00 H new ATOM 204 N SER A 17 13.761 -4.991 1.359 1.00 0.00 N ATOM 205 CA SER A 17 13.325 -5.708 0.166 1.00 0.00 C ATOM 206 C SER A 17 12.624 -4.765 -0.810 1.00 0.00 C ATOM 207 O SER A 17 12.175 -3.684 -0.428 1.00 0.00 O ATOM 208 CB SER A 17 12.387 -6.854 0.549 1.00 0.00 C ATOM 209 OG SER A 17 13.111 -7.946 1.090 1.00 0.00 O ATOM 0 H SER A 17 13.001 -4.650 1.947 1.00 0.00 H new ATOM 0 HA SER A 17 14.208 -6.119 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.656 -6.502 1.277 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.831 -7.182 -0.329 1.00 0.00 H new ATOM 0 HG SER A 17 12.489 -8.665 1.328 1.00 0.00 H new ATOM 215 N PRO A 18 12.520 -5.165 -2.091 1.00 0.00 N ATOM 216 CA PRO A 18 11.868 -4.350 -3.121 1.00 0.00 C ATOM 217 C PRO A 18 10.505 -3.828 -2.674 1.00 0.00 C ATOM 218 O PRO A 18 9.909 -4.353 -1.732 1.00 0.00 O ATOM 219 CB PRO A 18 11.711 -5.325 -4.289 1.00 0.00 C ATOM 220 CG PRO A 18 12.823 -6.302 -4.116 1.00 0.00 C ATOM 221 CD PRO A 18 13.026 -6.441 -2.631 1.00 0.00 C ATOM 0 HA PRO A 18 12.445 -3.458 -3.364 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.741 -5.821 -4.264 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.781 -4.810 -5.247 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.572 -7.262 -4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.732 -5.949 -4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.477 -7.292 -2.229 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.076 -6.593 -2.382 1.00 0.00 H new ATOM 229 N PRO A 19 9.990 -2.784 -3.345 1.00 0.00 N ATOM 230 CA PRO A 19 8.691 -2.193 -3.008 1.00 0.00 C ATOM 231 C PRO A 19 7.547 -3.192 -3.149 1.00 0.00 C ATOM 232 O PRO A 19 6.608 -3.191 -2.352 1.00 0.00 O ATOM 233 CB PRO A 19 8.533 -1.053 -4.023 1.00 0.00 C ATOM 234 CG PRO A 19 9.485 -1.374 -5.123 1.00 0.00 C ATOM 235 CD PRO A 19 10.631 -2.098 -4.478 1.00 0.00 C ATOM 0 HA PRO A 19 8.656 -1.861 -1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.509 -0.994 -4.393 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.764 -0.089 -3.571 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.009 -1.994 -5.883 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.827 -0.467 -5.621 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.101 -2.803 -5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.408 -1.410 -4.146 1.00 0.00 H new ATOM 243 N GLU A 20 7.633 -4.045 -4.164 1.00 0.00 N ATOM 244 CA GLU A 20 6.604 -5.052 -4.407 1.00 0.00 C ATOM 245 C GLU A 20 6.611 -6.113 -3.310 1.00 0.00 C ATOM 246 O GLU A 20 5.554 -6.609 -2.901 1.00 0.00 O ATOM 247 CB GLU A 20 6.817 -5.710 -5.771 1.00 0.00 C ATOM 248 CG GLU A 20 8.216 -6.272 -5.964 1.00 0.00 C ATOM 249 CD GLU A 20 8.292 -7.270 -7.102 1.00 0.00 C ATOM 250 OE1 GLU A 20 7.263 -7.914 -7.396 1.00 0.00 O ATOM 251 OE2 GLU A 20 9.380 -7.407 -7.700 1.00 0.00 O ATOM 0 H GLU A 20 8.404 -4.060 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 20 5.634 -4.554 -4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.091 -6.514 -5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.618 -4.978 -6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.909 -5.453 -6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.541 -6.753 -5.041 1.00 0.00 H new ATOM 258 N THR A 21 7.808 -6.455 -2.834 1.00 0.00 N ATOM 259 CA THR A 21 7.944 -7.459 -1.788 1.00 0.00 C ATOM 260 C THR A 21 7.263 -6.980 -0.521 1.00 0.00 C ATOM 261 O THR A 21 6.461 -7.698 0.075 1.00 0.00 O ATOM 262 CB THR A 21 9.422 -7.755 -1.520 1.00 0.00 C ATOM 263 OG1 THR A 21 10.016 -8.394 -2.636 1.00 0.00 O ATOM 264 CG2 THR A 21 9.649 -8.639 -0.312 1.00 0.00 C ATOM 0 H THR A 21 8.689 -6.053 -3.155 1.00 0.00 H new ATOM 0 HA THR A 21 7.464 -8.380 -2.120 1.00 0.00 H new ATOM 0 HB THR A 21 9.879 -6.784 -1.330 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.834 -8.853 -2.353 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.718 -8.808 -0.181 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.247 -8.152 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.146 -9.594 -0.461 1.00 0.00 H new ATOM 272 N GLN A 22 7.546 -5.748 -0.144 1.00 0.00 N ATOM 273 CA GLN A 22 6.908 -5.164 1.023 1.00 0.00 C ATOM 274 C GLN A 22 5.451 -4.943 0.712 1.00 0.00 C ATOM 275 O GLN A 22 4.577 -5.256 1.513 1.00 0.00 O ATOM 276 CB GLN A 22 7.526 -3.818 1.416 1.00 0.00 C ATOM 277 CG GLN A 22 6.623 -2.987 2.336 1.00 0.00 C ATOM 278 CD GLN A 22 5.518 -2.242 1.585 1.00 0.00 C ATOM 279 OE1 GLN A 22 4.258 -2.688 1.732 1.00 0.00 O flip ATOM 280 NE2 GLN A 22 5.790 -1.271 0.879 1.00 0.00 N flip ATOM 0 H GLN A 22 8.207 -5.136 -0.623 1.00 0.00 H new ATOM 0 HA GLN A 22 7.046 -5.853 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.479 -3.994 1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.740 -3.246 0.513 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.169 -3.644 3.078 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.234 -2.266 2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.757 -0.960 0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.048 -0.777 0.383 1.00 0.00 H new ATOM 289 N ARG A 23 5.216 -4.354 -0.461 1.00 0.00 N ATOM 290 CA ARG A 23 3.883 -4.024 -0.917 1.00 0.00 C ATOM 291 C ARG A 23 2.828 -4.840 -0.195 1.00 0.00 C ATOM 292 O ARG A 23 2.305 -4.418 0.832 1.00 0.00 O ATOM 293 CB ARG A 23 3.771 -4.210 -2.431 1.00 0.00 C ATOM 294 CG ARG A 23 2.393 -3.882 -2.968 1.00 0.00 C ATOM 295 CD ARG A 23 1.845 -5.000 -3.841 1.00 0.00 C ATOM 296 NE ARG A 23 1.235 -4.489 -5.067 1.00 0.00 N ATOM 297 CZ ARG A 23 1.009 -5.233 -6.149 1.00 0.00 C ATOM 298 NH1 ARG A 23 1.338 -6.518 -6.160 1.00 0.00 N ATOM 299 NH2 ARG A 23 0.452 -4.688 -7.222 1.00 0.00 N ATOM 0 H ARG A 23 5.953 -4.095 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 23 3.703 -2.975 -0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.508 -3.576 -2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.017 -5.241 -2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.712 -3.704 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.439 -2.959 -3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.651 -5.688 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.105 -5.570 -3.278 1.00 0.00 H new ATOM 0 HE ARG A 23 0.967 -3.505 -5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.767 -6.942 -5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.162 -7.082 -6.991 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.197 -3.700 -7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.278 -5.256 -8.051 1.00 0.00 H new ATOM 313 N MET A 24 2.528 -6.014 -0.709 1.00 0.00 N ATOM 314 CA MET A 24 1.535 -6.859 -0.077 1.00 0.00 C ATOM 315 C MET A 24 1.924 -7.186 1.364 1.00 0.00 C ATOM 316 O MET A 24 1.060 -7.317 2.228 1.00 0.00 O ATOM 317 CB MET A 24 1.326 -8.144 -0.878 1.00 0.00 C ATOM 318 CG MET A 24 0.173 -8.996 -0.374 1.00 0.00 C ATOM 319 SD MET A 24 -0.154 -10.419 -1.432 1.00 0.00 S ATOM 320 CE MET A 24 -1.942 -10.492 -1.356 1.00 0.00 C ATOM 0 H MET A 24 2.951 -6.402 -1.552 1.00 0.00 H new ATOM 0 HA MET A 24 0.595 -6.307 -0.057 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.147 -7.886 -1.922 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.242 -8.734 -0.848 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.396 -9.342 0.635 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.726 -8.382 -0.309 1.00 0.00 H new ATOM 0 HE1 MET A 24 -2.298 -11.324 -1.963 1.00 0.00 H new ATOM 0 HE2 MET A 24 -2.257 -10.636 -0.322 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.361 -9.560 -1.737 1.00 0.00 H new ATOM 330 N MET A 25 3.222 -7.345 1.618 1.00 0.00 N ATOM 331 CA MET A 25 3.693 -7.685 2.959 1.00 0.00 C ATOM 332 C MET A 25 3.236 -6.661 4.002 1.00 0.00 C ATOM 333 O MET A 25 2.647 -7.039 5.015 1.00 0.00 O ATOM 334 CB MET A 25 5.219 -7.793 2.969 1.00 0.00 C ATOM 335 CG MET A 25 5.728 -9.224 2.900 1.00 0.00 C ATOM 336 SD MET A 25 5.239 -10.205 4.332 1.00 0.00 S ATOM 337 CE MET A 25 5.801 -9.153 5.669 1.00 0.00 C ATOM 0 H MET A 25 3.959 -7.245 0.920 1.00 0.00 H new ATOM 0 HA MET A 25 3.256 -8.648 3.226 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.620 -7.232 2.125 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.602 -7.323 3.875 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.349 -9.697 1.994 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.815 -9.216 2.824 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.903 -9.744 6.579 1.00 0.00 H new ATOM 0 HE2 MET A 25 6.766 -8.718 5.409 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.076 -8.355 5.834 1.00 0.00 H new ATOM 347 N LEU A 26 3.468 -5.367 3.757 1.00 0.00 N ATOM 348 CA LEU A 26 3.016 -4.352 4.708 1.00 0.00 C ATOM 349 C LEU A 26 1.501 -4.297 4.682 1.00 0.00 C ATOM 350 O LEU A 26 0.857 -4.359 5.722 1.00 0.00 O ATOM 351 CB LEU A 26 3.615 -2.974 4.418 1.00 0.00 C ATOM 352 CG LEU A 26 3.720 -2.047 5.631 1.00 0.00 C ATOM 353 CD1 LEU A 26 4.806 -2.532 6.578 1.00 0.00 C ATOM 354 CD2 LEU A 26 3.995 -0.618 5.187 1.00 0.00 C ATOM 0 H LEU A 26 3.951 -5.007 2.934 1.00 0.00 H new ATOM 0 HA LEU A 26 3.363 -4.634 5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.611 -3.109 3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.009 -2.484 3.656 1.00 0.00 H new ATOM 0 HG LEU A 26 2.768 -2.064 6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.867 -1.861 7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.567 -3.539 6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.764 -2.544 6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.067 0.028 6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.933 -0.583 4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.183 -0.273 4.547 1.00 0.00 H new ATOM 366 N GLY A 27 0.924 -4.223 3.476 1.00 0.00 N ATOM 367 CA GLY A 27 -0.497 -4.209 3.348 1.00 0.00 C ATOM 368 C GLY A 27 -1.094 -5.410 4.040 1.00 0.00 C ATOM 369 O GLY A 27 -2.207 -5.358 4.534 1.00 0.00 O ATOM 0 H GLY A 27 1.435 -4.173 2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.900 -3.293 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.775 -4.212 2.294 1.00 0.00 H new ATOM 373 N GLU A 28 -0.345 -6.490 4.132 1.00 0.00 N ATOM 374 CA GLU A 28 -0.851 -7.652 4.828 1.00 0.00 C ATOM 375 C GLU A 28 -1.239 -7.246 6.248 1.00 0.00 C ATOM 376 O GLU A 28 -2.327 -7.570 6.728 1.00 0.00 O ATOM 377 CB GLU A 28 0.201 -8.762 4.862 1.00 0.00 C ATOM 378 CG GLU A 28 -0.380 -10.158 4.703 1.00 0.00 C ATOM 379 CD GLU A 28 -0.494 -10.896 6.021 1.00 0.00 C ATOM 380 OE1 GLU A 28 -0.874 -10.260 7.027 1.00 0.00 O ATOM 381 OE2 GLU A 28 -0.203 -12.110 6.049 1.00 0.00 O ATOM 0 H GLU A 28 0.593 -6.587 3.744 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.725 -8.036 4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.927 -8.587 4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.743 -8.709 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.366 -10.087 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.247 -10.733 4.022 1.00 0.00 H new ATOM 388 N ASN A 29 -0.344 -6.504 6.904 1.00 0.00 N ATOM 389 CA ASN A 29 -0.589 -6.044 8.271 1.00 0.00 C ATOM 390 C ASN A 29 -1.170 -4.630 8.316 1.00 0.00 C ATOM 391 O ASN A 29 -2.150 -4.370 9.016 1.00 0.00 O ATOM 392 CB ASN A 29 0.708 -6.090 9.079 1.00 0.00 C ATOM 393 CG ASN A 29 1.337 -7.470 9.084 1.00 0.00 C ATOM 394 OD1 ASN A 29 2.354 -7.703 8.428 1.00 0.00 O ATOM 395 ND2 ASN A 29 0.736 -8.393 9.824 1.00 0.00 N ATOM 0 H ASN A 29 0.551 -6.211 6.513 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.327 -6.717 8.708 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.416 -5.372 8.665 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.505 -5.782 10.105 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.114 -9.339 9.865 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.104 -8.156 10.351 1.00 0.00 H new ATOM 402 N LEU A 30 -0.558 -3.708 7.592 1.00 0.00 N ATOM 403 CA LEU A 30 -1.025 -2.333 7.594 1.00 0.00 C ATOM 404 C LEU A 30 -2.212 -2.121 6.647 1.00 0.00 C ATOM 405 O LEU A 30 -3.059 -1.277 6.922 1.00 0.00 O ATOM 406 CB LEU A 30 0.124 -1.376 7.277 1.00 0.00 C ATOM 407 CG LEU A 30 0.768 -0.720 8.501 1.00 0.00 C ATOM 408 CD1 LEU A 30 2.125 -0.137 8.143 1.00 0.00 C ATOM 409 CD2 LEU A 30 -0.146 0.354 9.071 1.00 0.00 C ATOM 0 H LEU A 30 0.255 -3.884 7.001 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.388 -2.111 8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.892 -1.921 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.246 -0.593 6.615 1.00 0.00 H new ATOM 0 HG LEU A 30 0.917 -1.484 9.264 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.567 0.325 9.026 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.779 -0.931 7.783 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.004 0.614 7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.327 0.810 9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.327 1.117 8.314 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.094 -0.095 9.367 1.00 0.00 H new ATOM 421 N TYR A 31 -2.309 -2.893 5.554 1.00 0.00 N ATOM 422 CA TYR A 31 -3.450 -2.742 4.645 1.00 0.00 C ATOM 423 C TYR A 31 -4.728 -3.039 5.404 1.00 0.00 C ATOM 424 O TYR A 31 -5.662 -2.262 5.327 1.00 0.00 O ATOM 425 CB TYR A 31 -3.355 -3.607 3.376 1.00 0.00 C ATOM 426 CG TYR A 31 -4.688 -4.036 2.806 1.00 0.00 C ATOM 427 CD1 TYR A 31 -5.719 -3.127 2.622 1.00 0.00 C ATOM 428 CD2 TYR A 31 -4.913 -5.362 2.459 1.00 0.00 C ATOM 429 CE1 TYR A 31 -6.937 -3.527 2.108 1.00 0.00 C ATOM 430 CE2 TYR A 31 -6.126 -5.769 1.944 1.00 0.00 C ATOM 431 CZ TYR A 31 -7.134 -4.848 1.771 1.00 0.00 C ATOM 432 OH TYR A 31 -8.344 -5.250 1.259 1.00 0.00 O ATOM 0 H TYR A 31 -1.632 -3.607 5.285 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.446 -1.711 4.291 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.810 -3.051 2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.768 -4.497 3.602 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.567 -2.090 2.885 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.124 -6.087 2.595 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.731 -2.808 1.971 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.284 -6.804 1.678 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.019 -5.240 1.969 1.00 0.00 H new ATOM 442 N PRO A 32 -4.802 -4.122 6.207 1.00 0.00 N ATOM 443 CA PRO A 32 -6.001 -4.364 6.985 1.00 0.00 C ATOM 444 C PRO A 32 -6.264 -3.135 7.838 1.00 0.00 C ATOM 445 O PRO A 32 -7.410 -2.791 8.126 1.00 0.00 O ATOM 446 CB PRO A 32 -5.674 -5.587 7.844 1.00 0.00 C ATOM 447 CG PRO A 32 -4.195 -5.702 7.803 1.00 0.00 C ATOM 448 CD PRO A 32 -3.767 -5.128 6.478 1.00 0.00 C ATOM 0 HA PRO A 32 -6.892 -4.545 6.383 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.032 -5.458 8.866 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.151 -6.485 7.450 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.739 -5.157 8.629 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.882 -6.742 7.896 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.774 -4.682 6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.731 -5.891 5.700 1.00 0.00 H new ATOM 456 N LEU A 33 -5.172 -2.448 8.206 1.00 0.00 N ATOM 457 CA LEU A 33 -5.278 -1.230 8.985 1.00 0.00 C ATOM 458 C LEU A 33 -5.771 -0.111 8.082 1.00 0.00 C ATOM 459 O LEU A 33 -6.681 0.635 8.444 1.00 0.00 O ATOM 460 CB LEU A 33 -3.925 -0.864 9.600 1.00 0.00 C ATOM 461 CG LEU A 33 -3.869 -0.936 11.127 1.00 0.00 C ATOM 462 CD1 LEU A 33 -3.701 -2.375 11.589 1.00 0.00 C ATOM 463 CD2 LEU A 33 -2.737 -0.068 11.659 1.00 0.00 C ATOM 0 H LEU A 33 -4.217 -2.722 7.973 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.985 -1.381 9.801 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.165 -1.530 9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.663 0.147 9.289 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.811 -0.557 11.524 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.663 -2.405 12.678 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.544 -2.970 11.238 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.775 -2.782 11.182 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.711 -0.130 12.747 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.788 -0.418 11.253 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.900 0.967 11.359 1.00 0.00 H new ATOM 475 N VAL A 34 -5.190 -0.022 6.882 1.00 0.00 N ATOM 476 CA VAL A 34 -5.619 0.982 5.930 1.00 0.00 C ATOM 477 C VAL A 34 -6.943 0.577 5.352 1.00 0.00 C ATOM 478 O VAL A 34 -7.894 1.354 5.334 1.00 0.00 O ATOM 479 CB VAL A 34 -4.632 1.180 4.799 1.00 0.00 C ATOM 480 CG1 VAL A 34 -5.009 2.438 4.035 1.00 0.00 C ATOM 481 CG2 VAL A 34 -3.227 1.264 5.348 1.00 0.00 C ATOM 0 H VAL A 34 -4.435 -0.626 6.559 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.693 1.926 6.469 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.666 0.332 4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.305 2.592 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.016 2.331 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.977 3.295 4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.524 1.406 4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.155 2.105 6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.987 0.341 5.876 1.00 0.00 H new ATOM 491 N ASP A 35 -6.981 -0.680 4.916 1.00 0.00 N ATOM 492 CA ASP A 35 -8.184 -1.295 4.352 1.00 0.00 C ATOM 493 C ASP A 35 -9.465 -0.592 4.814 1.00 0.00 C ATOM 494 O ASP A 35 -10.154 -1.065 5.717 1.00 0.00 O ATOM 495 CB ASP A 35 -8.250 -2.765 4.760 1.00 0.00 C ATOM 496 CG ASP A 35 -9.488 -3.466 4.233 1.00 0.00 C ATOM 497 OD1 ASP A 35 -10.539 -3.399 4.905 1.00 0.00 O ATOM 498 OD2 ASP A 35 -9.408 -4.080 3.150 1.00 0.00 O ATOM 0 H ASP A 35 -6.175 -1.305 4.943 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.119 -1.200 3.268 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.362 -3.280 4.392 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.233 -2.837 5.847 1.00 0.00 H new ATOM 503 N GLN A 36 -9.766 0.543 4.199 1.00 0.00 N ATOM 504 CA GLN A 36 -10.948 1.321 4.555 1.00 0.00 C ATOM 505 C GLN A 36 -12.237 0.547 4.295 1.00 0.00 C ATOM 506 O GLN A 36 -13.080 0.410 5.182 1.00 0.00 O ATOM 507 CB GLN A 36 -10.969 2.627 3.764 1.00 0.00 C ATOM 508 CG GLN A 36 -10.692 2.442 2.280 1.00 0.00 C ATOM 509 CD GLN A 36 -9.721 3.467 1.741 1.00 0.00 C ATOM 510 OE1 GLN A 36 -10.079 4.630 1.561 1.00 0.00 O ATOM 511 NE2 GLN A 36 -8.484 3.045 1.486 1.00 0.00 N ATOM 0 H GLN A 36 -9.207 0.948 3.448 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.892 1.533 5.623 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.942 3.102 3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -10.227 3.308 4.182 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.292 1.442 2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.629 2.508 1.728 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.233 2.070 1.651 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.787 3.697 1.125 1.00 0.00 H new ATOM 520 N LEU A 37 -12.390 0.057 3.072 1.00 0.00 N ATOM 521 CA LEU A 37 -13.584 -0.687 2.688 1.00 0.00 C ATOM 522 C LEU A 37 -13.283 -2.178 2.563 1.00 0.00 C ATOM 523 O LEU A 37 -12.302 -2.671 3.120 1.00 0.00 O ATOM 524 CB LEU A 37 -14.127 -0.145 1.363 1.00 0.00 C ATOM 525 CG LEU A 37 -14.144 1.382 1.246 1.00 0.00 C ATOM 526 CD1 LEU A 37 -13.546 1.825 -0.081 1.00 0.00 C ATOM 527 CD2 LEU A 37 -15.562 1.914 1.395 1.00 0.00 C ATOM 0 H LEU A 37 -11.701 0.161 2.327 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.336 -0.559 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.526 -0.550 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.143 -0.516 1.225 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.535 1.793 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.567 2.913 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.515 1.478 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.127 1.402 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.554 3.001 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.193 1.493 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.956 1.630 2.371 1.00 0.00 H new ATOM 539 N GLU A 38 -14.127 -2.893 1.825 1.00 0.00 N ATOM 540 CA GLU A 38 -13.939 -4.322 1.626 1.00 0.00 C ATOM 541 C GLU A 38 -12.754 -4.579 0.701 1.00 0.00 C ATOM 542 O GLU A 38 -12.341 -3.700 -0.054 1.00 0.00 O ATOM 543 CB GLU A 38 -15.206 -4.950 1.042 1.00 0.00 C ATOM 544 CG GLU A 38 -16.168 -5.470 2.098 1.00 0.00 C ATOM 545 CD GLU A 38 -17.620 -5.291 1.699 1.00 0.00 C ATOM 546 OE1 GLU A 38 -18.007 -5.794 0.624 1.00 0.00 O ATOM 547 OE2 GLU A 38 -18.371 -4.650 2.465 1.00 0.00 O ATOM 0 H GLU A 38 -14.946 -2.505 1.357 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.734 -4.780 2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.719 -4.210 0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.924 -5.771 0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.971 -6.527 2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -15.986 -4.950 3.038 1.00 0.00 H new ATOM 554 N HIS A 39 -12.213 -5.791 0.768 1.00 0.00 N ATOM 555 CA HIS A 39 -11.070 -6.178 -0.058 1.00 0.00 C ATOM 556 C HIS A 39 -11.244 -5.740 -1.512 1.00 0.00 C ATOM 557 O HIS A 39 -10.263 -5.559 -2.233 1.00 0.00 O ATOM 558 CB HIS A 39 -10.863 -7.692 0.005 1.00 0.00 C ATOM 559 CG HIS A 39 -12.122 -8.477 -0.187 1.00 0.00 C ATOM 560 ND1 HIS A 39 -12.698 -9.234 0.811 1.00 0.00 N ATOM 561 CD2 HIS A 39 -12.922 -8.620 -1.270 1.00 0.00 C ATOM 562 CE1 HIS A 39 -13.794 -9.810 0.352 1.00 0.00 C ATOM 563 NE2 HIS A 39 -13.954 -9.453 -0.909 1.00 0.00 N ATOM 0 H HIS A 39 -12.549 -6.527 1.389 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.192 -5.671 0.341 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -10.143 -7.984 -0.759 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.427 -7.951 0.970 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -12.776 -8.164 -2.238 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.448 -10.462 0.912 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -14.719 -9.747 -1.516 1.00 0.00 H new ATOM 571 N ASP A 40 -12.494 -5.580 -1.939 1.00 0.00 N ATOM 572 CA ASP A 40 -12.793 -5.171 -3.309 1.00 0.00 C ATOM 573 C ASP A 40 -11.900 -4.019 -3.764 1.00 0.00 C ATOM 574 O ASP A 40 -11.093 -4.174 -4.681 1.00 0.00 O ATOM 575 CB ASP A 40 -14.264 -4.768 -3.432 1.00 0.00 C ATOM 576 CG ASP A 40 -15.158 -5.942 -3.772 1.00 0.00 C ATOM 577 OD1 ASP A 40 -14.799 -7.085 -3.419 1.00 0.00 O ATOM 578 OD2 ASP A 40 -16.220 -5.721 -4.393 1.00 0.00 O ATOM 0 H ASP A 40 -13.317 -5.728 -1.355 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.594 -6.025 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.595 -4.322 -2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.365 -4.003 -4.202 1.00 0.00 H new ATOM 583 N GLN A 41 -12.052 -2.864 -3.126 1.00 0.00 N ATOM 584 CA GLN A 41 -11.260 -1.690 -3.479 1.00 0.00 C ATOM 585 C GLN A 41 -10.321 -1.285 -2.343 1.00 0.00 C ATOM 586 O GLN A 41 -9.419 -0.470 -2.539 1.00 0.00 O ATOM 587 CB GLN A 41 -12.181 -0.520 -3.833 1.00 0.00 C ATOM 588 CG GLN A 41 -13.073 -0.081 -2.685 1.00 0.00 C ATOM 589 CD GLN A 41 -14.549 -0.260 -2.987 1.00 0.00 C ATOM 590 OE1 GLN A 41 -15.352 0.649 -2.777 1.00 0.00 O ATOM 591 NE2 GLN A 41 -14.912 -1.436 -3.484 1.00 0.00 N ATOM 0 H GLN A 41 -12.714 -2.715 -2.364 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.651 -1.949 -4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.573 0.326 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.806 -0.803 -4.680 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.817 -0.653 -1.793 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -12.877 0.967 -2.459 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -14.212 -2.161 -3.642 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -15.891 -1.615 -3.708 1.00 0.00 H new ATOM 600 N ALA A 42 -10.538 -1.846 -1.156 1.00 0.00 N ATOM 601 CA ALA A 42 -9.702 -1.520 -0.001 1.00 0.00 C ATOM 602 C ALA A 42 -8.256 -1.955 -0.213 1.00 0.00 C ATOM 603 O ALA A 42 -7.322 -1.211 0.084 1.00 0.00 O ATOM 604 CB ALA A 42 -10.256 -2.167 1.258 1.00 0.00 C ATOM 0 H ALA A 42 -11.278 -2.522 -0.968 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.716 -0.436 0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.621 -1.913 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.267 -1.803 1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.278 -3.249 1.132 1.00 0.00 H new ATOM 610 N ALA A 43 -8.082 -3.168 -0.724 1.00 0.00 N ATOM 611 CA ALA A 43 -6.754 -3.715 -0.973 1.00 0.00 C ATOM 612 C ALA A 43 -6.114 -3.068 -2.189 1.00 0.00 C ATOM 613 O ALA A 43 -4.893 -2.933 -2.268 1.00 0.00 O ATOM 614 CB ALA A 43 -6.830 -5.224 -1.160 1.00 0.00 C ATOM 0 H ALA A 43 -8.847 -3.794 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.132 -3.496 -0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.831 -5.618 -1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.240 -5.682 -0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.474 -5.453 -2.009 1.00 0.00 H new ATOM 620 N LYS A 44 -6.946 -2.698 -3.148 1.00 0.00 N ATOM 621 CA LYS A 44 -6.469 -2.098 -4.379 1.00 0.00 C ATOM 622 C LYS A 44 -5.852 -0.718 -4.163 1.00 0.00 C ATOM 623 O LYS A 44 -4.784 -0.439 -4.688 1.00 0.00 O ATOM 624 CB LYS A 44 -7.613 -1.999 -5.390 1.00 0.00 C ATOM 625 CG LYS A 44 -7.949 -3.324 -6.053 1.00 0.00 C ATOM 626 CD LYS A 44 -7.044 -3.600 -7.245 1.00 0.00 C ATOM 627 CE LYS A 44 -6.294 -4.913 -7.086 1.00 0.00 C ATOM 628 NZ LYS A 44 -7.211 -6.085 -7.120 1.00 0.00 N ATOM 0 H LYS A 44 -7.959 -2.804 -3.096 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.682 -2.747 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.501 -1.618 -4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.347 -1.274 -6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.850 -4.130 -5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.989 -3.315 -6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.641 -3.629 -8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.330 -2.784 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.555 -5.007 -7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.748 -4.907 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.653 -6.963 -7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.834 -6.062 -6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.787 -6.050 -7.985 1.00 0.00 H new ATOM 642 N VAL A 45 -6.530 0.167 -3.441 1.00 0.00 N ATOM 643 CA VAL A 45 -6.000 1.520 -3.254 1.00 0.00 C ATOM 644 C VAL A 45 -4.768 1.600 -2.345 1.00 0.00 C ATOM 645 O VAL A 45 -3.759 2.190 -2.728 1.00 0.00 O ATOM 646 CB VAL A 45 -7.067 2.462 -2.658 1.00 0.00 C ATOM 647 CG1 VAL A 45 -7.980 2.991 -3.745 1.00 0.00 C ATOM 648 CG2 VAL A 45 -7.870 1.768 -1.564 1.00 0.00 C ATOM 0 H VAL A 45 -7.424 -0.016 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.706 1.827 -4.258 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.550 3.307 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.725 3.653 -3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.392 3.544 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.481 2.157 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.613 2.458 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.372 0.895 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.199 1.454 -0.764 1.00 0.00 H new ATOM 658 N THR A 46 -4.851 1.047 -1.139 1.00 0.00 N ATOM 659 CA THR A 46 -3.725 1.124 -0.207 1.00 0.00 C ATOM 660 C THR A 46 -2.543 0.256 -0.588 1.00 0.00 C ATOM 661 O THR A 46 -1.397 0.699 -0.582 1.00 0.00 O ATOM 662 CB THR A 46 -4.175 0.767 1.212 1.00 0.00 C ATOM 663 OG1 THR A 46 -3.476 1.573 2.136 1.00 0.00 O ATOM 664 CG2 THR A 46 -3.960 -0.690 1.613 1.00 0.00 C ATOM 0 H THR A 46 -5.668 0.549 -0.786 1.00 0.00 H new ATOM 0 HA THR A 46 -3.384 2.158 -0.254 1.00 0.00 H new ATOM 0 HB THR A 46 -5.251 0.941 1.223 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.522 1.573 1.914 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.310 -0.842 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.517 -1.339 0.938 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.899 -0.931 1.554 1.00 0.00 H new ATOM 672 N GLY A 47 -2.837 -1.003 -0.841 1.00 0.00 N ATOM 673 CA GLY A 47 -1.797 -1.958 -1.133 1.00 0.00 C ATOM 674 C GLY A 47 -1.173 -1.833 -2.518 1.00 0.00 C ATOM 675 O GLY A 47 -0.027 -2.232 -2.709 1.00 0.00 O ATOM 0 H GLY A 47 -3.783 -1.384 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.010 -1.854 -0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.207 -2.962 -1.026 1.00 0.00 H new ATOM 679 N MET A 48 -1.897 -1.277 -3.489 1.00 0.00 N ATOM 680 CA MET A 48 -1.330 -1.118 -4.831 1.00 0.00 C ATOM 681 C MET A 48 -0.204 -0.095 -4.791 1.00 0.00 C ATOM 682 O MET A 48 0.890 -0.328 -5.303 1.00 0.00 O ATOM 683 CB MET A 48 -2.394 -0.674 -5.836 1.00 0.00 C ATOM 684 CG MET A 48 -3.252 -1.816 -6.358 1.00 0.00 C ATOM 685 SD MET A 48 -2.402 -2.812 -7.598 1.00 0.00 S ATOM 686 CE MET A 48 -2.983 -2.043 -9.107 1.00 0.00 C ATOM 0 H MET A 48 -2.852 -0.937 -3.379 1.00 0.00 H new ATOM 0 HA MET A 48 -0.942 -2.084 -5.153 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.039 0.068 -5.366 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.905 -0.184 -6.678 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.547 -2.454 -5.525 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.167 -1.410 -6.789 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.544 -2.550 -9.966 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.069 -2.117 -9.158 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.690 -0.993 -9.116 1.00 0.00 H new ATOM 696 N LEU A 49 -0.488 1.033 -4.154 1.00 0.00 N ATOM 697 CA LEU A 49 0.479 2.109 -4.001 1.00 0.00 C ATOM 698 C LEU A 49 1.645 1.673 -3.123 1.00 0.00 C ATOM 699 O LEU A 49 2.684 2.331 -3.088 1.00 0.00 O ATOM 700 CB LEU A 49 -0.185 3.355 -3.410 1.00 0.00 C ATOM 701 CG LEU A 49 -0.938 4.235 -4.412 1.00 0.00 C ATOM 702 CD1 LEU A 49 -0.115 4.443 -5.675 1.00 0.00 C ATOM 703 CD2 LEU A 49 -2.289 3.624 -4.753 1.00 0.00 C ATOM 0 H LEU A 49 -1.395 1.227 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 49 0.864 2.354 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.882 3.041 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.582 3.960 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.105 5.207 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.670 5.071 -6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.827 4.929 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.089 3.478 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.808 4.264 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.142 2.637 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.886 3.532 -3.846 1.00 0.00 H new ATOM 715 N LEU A 50 1.460 0.575 -2.392 1.00 0.00 N ATOM 716 CA LEU A 50 2.494 0.084 -1.493 1.00 0.00 C ATOM 717 C LEU A 50 3.820 -0.137 -2.229 1.00 0.00 C ATOM 718 O LEU A 50 4.876 -0.218 -1.603 1.00 0.00 O ATOM 719 CB LEU A 50 2.054 -1.222 -0.838 1.00 0.00 C ATOM 720 CG LEU A 50 1.154 -1.056 0.381 1.00 0.00 C ATOM 721 CD1 LEU A 50 0.744 -2.411 0.946 1.00 0.00 C ATOM 722 CD2 LEU A 50 1.860 -0.228 1.442 1.00 0.00 C ATOM 0 H LEU A 50 0.608 0.014 -2.406 1.00 0.00 H new ATOM 0 HA LEU A 50 2.647 0.844 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.530 -1.825 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.942 -1.781 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 50 0.249 -0.534 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.102 -2.264 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.202 -2.973 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.634 -2.966 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.209 -0.115 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.780 -0.729 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.098 0.755 1.037 1.00 0.00 H new ATOM 734 N GLU A 51 3.769 -0.226 -3.560 1.00 0.00 N ATOM 735 CA GLU A 51 4.984 -0.421 -4.352 1.00 0.00 C ATOM 736 C GLU A 51 5.089 0.596 -5.489 1.00 0.00 C ATOM 737 O GLU A 51 6.114 0.667 -6.168 1.00 0.00 O ATOM 738 CB GLU A 51 5.046 -1.840 -4.924 1.00 0.00 C ATOM 739 CG GLU A 51 3.737 -2.325 -5.523 1.00 0.00 C ATOM 740 CD GLU A 51 3.667 -2.109 -7.022 1.00 0.00 C ATOM 741 OE1 GLU A 51 3.550 -0.941 -7.449 1.00 0.00 O ATOM 742 OE2 GLU A 51 3.729 -3.107 -7.770 1.00 0.00 O ATOM 0 H GLU A 51 2.910 -0.167 -4.106 1.00 0.00 H new ATOM 0 HA GLU A 51 5.828 -0.271 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.820 -1.878 -5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.347 -2.526 -4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.614 -3.386 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.908 -1.803 -5.045 1.00 0.00 H new ATOM 749 N MET A 52 4.036 1.384 -5.698 1.00 0.00 N ATOM 750 CA MET A 52 4.038 2.387 -6.756 1.00 0.00 C ATOM 751 C MET A 52 4.996 3.527 -6.420 1.00 0.00 C ATOM 752 O MET A 52 6.114 3.580 -6.932 1.00 0.00 O ATOM 753 CB MET A 52 2.627 2.934 -6.978 1.00 0.00 C ATOM 754 CG MET A 52 1.665 1.913 -7.566 1.00 0.00 C ATOM 755 SD MET A 52 1.065 2.380 -9.202 1.00 0.00 S ATOM 756 CE MET A 52 -0.255 1.192 -9.429 1.00 0.00 C ATOM 0 H MET A 52 3.176 1.346 -5.151 1.00 0.00 H new ATOM 0 HA MET A 52 4.378 1.909 -7.675 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.230 3.290 -6.027 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.681 3.796 -7.643 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.163 0.945 -7.629 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.816 1.791 -6.894 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.726 1.352 -10.399 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.153 0.182 -9.386 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.997 1.317 -8.640 1.00 0.00 H new ATOM 766 N ASP A 53 4.553 4.433 -5.554 1.00 0.00 N ATOM 767 CA ASP A 53 5.378 5.568 -5.149 1.00 0.00 C ATOM 768 C ASP A 53 5.790 5.440 -3.686 1.00 0.00 C ATOM 769 O ASP A 53 4.979 5.078 -2.836 1.00 0.00 O ATOM 770 CB ASP A 53 4.622 6.878 -5.367 1.00 0.00 C ATOM 771 CG ASP A 53 4.897 7.484 -6.729 1.00 0.00 C ATOM 772 OD1 ASP A 53 4.350 6.972 -7.728 1.00 0.00 O ATOM 773 OD2 ASP A 53 5.660 8.470 -6.797 1.00 0.00 O ATOM 0 H ASP A 53 3.630 4.405 -5.120 1.00 0.00 H new ATOM 0 HA ASP A 53 6.278 5.572 -5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.552 6.699 -5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.904 7.590 -4.592 1.00 0.00 H new ATOM 778 N GLN A 54 7.057 5.737 -3.402 1.00 0.00 N ATOM 779 CA GLN A 54 7.583 5.650 -2.041 1.00 0.00 C ATOM 780 C GLN A 54 6.769 6.508 -1.076 1.00 0.00 C ATOM 781 O GLN A 54 6.502 6.104 0.056 1.00 0.00 O ATOM 782 CB GLN A 54 9.051 6.080 -2.012 1.00 0.00 C ATOM 783 CG GLN A 54 9.802 5.593 -0.784 1.00 0.00 C ATOM 784 CD GLN A 54 10.961 6.496 -0.413 1.00 0.00 C ATOM 785 OE1 GLN A 54 11.529 7.179 -1.265 1.00 0.00 O ATOM 786 NE2 GLN A 54 11.319 6.505 0.867 1.00 0.00 N ATOM 0 H GLN A 54 7.739 6.040 -4.097 1.00 0.00 H new ATOM 0 HA GLN A 54 7.507 4.611 -1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.549 5.704 -2.905 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.103 7.168 -2.052 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.112 5.529 0.058 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.175 4.585 -0.967 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.820 5.923 1.540 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.092 7.094 1.176 1.00 0.00 H new ATOM 795 N THR A 55 6.374 7.690 -1.528 1.00 0.00 N ATOM 796 CA THR A 55 5.586 8.595 -0.707 1.00 0.00 C ATOM 797 C THR A 55 4.178 8.044 -0.511 1.00 0.00 C ATOM 798 O THR A 55 3.592 8.173 0.563 1.00 0.00 O ATOM 799 CB THR A 55 5.520 9.981 -1.352 1.00 0.00 C ATOM 800 OG1 THR A 55 4.789 10.880 -0.537 1.00 0.00 O ATOM 801 CG2 THR A 55 4.876 9.974 -2.721 1.00 0.00 C ATOM 0 H THR A 55 6.587 8.044 -2.461 1.00 0.00 H new ATOM 0 HA THR A 55 6.068 8.684 0.267 1.00 0.00 H new ATOM 0 HB THR A 55 6.557 10.299 -1.458 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.539 10.434 0.299 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.861 10.988 -3.121 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.447 9.329 -3.388 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.855 9.601 -2.641 1.00 0.00 H new ATOM 809 N GLU A 56 3.643 7.428 -1.561 1.00 0.00 N ATOM 810 CA GLU A 56 2.303 6.856 -1.511 1.00 0.00 C ATOM 811 C GLU A 56 2.279 5.587 -0.663 1.00 0.00 C ATOM 812 O GLU A 56 1.387 5.407 0.164 1.00 0.00 O ATOM 813 CB GLU A 56 1.800 6.566 -2.927 1.00 0.00 C ATOM 814 CG GLU A 56 1.858 7.779 -3.843 1.00 0.00 C ATOM 815 CD GLU A 56 1.209 7.530 -5.190 1.00 0.00 C ATOM 816 OE1 GLU A 56 0.033 7.116 -5.213 1.00 0.00 O ATOM 817 OE2 GLU A 56 1.876 7.754 -6.222 1.00 0.00 O ATOM 0 H GLU A 56 4.118 7.313 -2.456 1.00 0.00 H new ATOM 0 HA GLU A 56 1.638 7.583 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.396 5.763 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.772 6.207 -2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.363 8.620 -3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.899 8.065 -3.994 1.00 0.00 H new ATOM 824 N VAL A 57 3.267 4.713 -0.855 1.00 0.00 N ATOM 825 CA VAL A 57 3.342 3.475 -0.079 1.00 0.00 C ATOM 826 C VAL A 57 3.388 3.791 1.406 1.00 0.00 C ATOM 827 O VAL A 57 2.676 3.188 2.209 1.00 0.00 O ATOM 828 CB VAL A 57 4.595 2.638 -0.443 1.00 0.00 C ATOM 829 CG1 VAL A 57 5.845 3.494 -0.394 1.00 0.00 C ATOM 830 CG2 VAL A 57 4.746 1.444 0.491 1.00 0.00 C ATOM 0 H VAL A 57 4.019 4.837 -1.533 1.00 0.00 H new ATOM 0 HA VAL A 57 2.452 2.894 -0.319 1.00 0.00 H new ATOM 0 HB VAL A 57 4.462 2.267 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.712 2.887 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.752 4.315 -1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.971 3.897 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.633 0.874 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.848 1.796 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.866 0.806 0.412 1.00 0.00 H new ATOM 840 N LEU A 58 4.231 4.749 1.754 1.00 0.00 N ATOM 841 CA LEU A 58 4.384 5.170 3.132 1.00 0.00 C ATOM 842 C LEU A 58 3.089 5.787 3.651 1.00 0.00 C ATOM 843 O LEU A 58 2.656 5.498 4.762 1.00 0.00 O ATOM 844 CB LEU A 58 5.540 6.173 3.235 1.00 0.00 C ATOM 845 CG LEU A 58 5.541 7.057 4.485 1.00 0.00 C ATOM 846 CD1 LEU A 58 5.754 6.215 5.734 1.00 0.00 C ATOM 847 CD2 LEU A 58 6.612 8.131 4.376 1.00 0.00 C ATOM 0 H LEU A 58 4.823 5.252 1.093 1.00 0.00 H new ATOM 0 HA LEU A 58 4.612 4.300 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.480 5.622 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.517 6.818 2.356 1.00 0.00 H new ATOM 0 HG LEU A 58 4.570 7.546 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.752 6.860 6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.952 5.482 5.820 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.711 5.698 5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.599 8.750 5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.590 7.661 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.416 8.753 3.503 1.00 0.00 H new ATOM 859 N HIS A 59 2.496 6.656 2.845 1.00 0.00 N ATOM 860 CA HIS A 59 1.267 7.349 3.219 1.00 0.00 C ATOM 861 C HIS A 59 0.036 6.437 3.261 1.00 0.00 C ATOM 862 O HIS A 59 -0.743 6.492 4.212 1.00 0.00 O ATOM 863 CB HIS A 59 1.008 8.505 2.253 1.00 0.00 C ATOM 864 CG HIS A 59 2.044 9.584 2.317 1.00 0.00 C ATOM 865 ND1 HIS A 59 3.128 9.727 3.117 1.00 0.00 N flip ATOM 866 CD2 HIS A 59 2.036 10.687 1.490 1.00 0.00 C flip ATOM 867 CE1 HIS A 59 3.745 10.901 2.760 1.00 0.00 C flip ATOM 868 NE2 HIS A 59 3.067 11.461 1.776 1.00 0.00 N flip ATOM 0 H HIS A 59 2.848 6.901 1.920 1.00 0.00 H new ATOM 0 HA HIS A 59 1.421 7.718 4.233 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.964 8.115 1.236 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.031 8.937 2.471 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.300 10.887 0.726 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.641 11.301 3.212 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.299 12.341 1.315 1.00 0.00 H new ATOM 876 N LEU A 60 -0.177 5.646 2.210 1.00 0.00 N ATOM 877 CA LEU A 60 -1.365 4.791 2.134 1.00 0.00 C ATOM 878 C LEU A 60 -1.457 3.775 3.269 1.00 0.00 C ATOM 879 O LEU A 60 -2.529 3.574 3.827 1.00 0.00 O ATOM 880 CB LEU A 60 -1.411 4.060 0.791 1.00 0.00 C ATOM 881 CG LEU A 60 -2.522 4.525 -0.151 1.00 0.00 C ATOM 882 CD1 LEU A 60 -3.868 4.543 0.568 1.00 0.00 C ATOM 883 CD2 LEU A 60 -2.188 5.902 -0.706 1.00 0.00 C ATOM 0 H LEU A 60 0.448 5.578 1.407 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.222 5.458 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.451 4.188 0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.534 2.993 0.977 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.596 3.822 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.644 4.877 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.105 3.540 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.818 5.225 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.984 6.227 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.093 6.612 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.248 5.855 -1.255 1.00 0.00 H new ATOM 895 N LEU A 61 -0.351 3.131 3.605 1.00 0.00 N ATOM 896 CA LEU A 61 -0.359 2.130 4.667 1.00 0.00 C ATOM 897 C LEU A 61 0.184 2.702 5.973 1.00 0.00 C ATOM 898 O LEU A 61 0.873 2.013 6.725 1.00 0.00 O ATOM 899 CB LEU A 61 0.434 0.901 4.220 1.00 0.00 C ATOM 900 CG LEU A 61 -0.352 -0.422 4.213 1.00 0.00 C ATOM 901 CD1 LEU A 61 -1.154 -0.606 2.922 1.00 0.00 C ATOM 902 CD2 LEU A 61 0.602 -1.579 4.407 1.00 0.00 C ATOM 0 H LEU A 61 0.557 3.279 3.165 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.389 1.829 4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.818 1.082 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.298 0.788 4.875 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.067 -0.392 5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.693 -1.553 2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.866 0.213 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.475 -0.609 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.044 -2.515 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.333 -1.588 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.118 -1.469 5.361 1.00 0.00 H new ATOM 914 N GLU A 62 -0.150 3.967 6.244 1.00 0.00 N ATOM 915 CA GLU A 62 0.288 4.637 7.469 1.00 0.00 C ATOM 916 C GLU A 62 -0.618 5.820 7.817 1.00 0.00 C ATOM 917 O GLU A 62 -1.018 5.984 8.970 1.00 0.00 O ATOM 918 CB GLU A 62 1.731 5.134 7.345 1.00 0.00 C ATOM 919 CG GLU A 62 2.747 4.044 7.035 1.00 0.00 C ATOM 920 CD GLU A 62 2.914 3.055 8.174 1.00 0.00 C ATOM 921 OE1 GLU A 62 2.121 3.117 9.137 1.00 0.00 O ATOM 922 OE2 GLU A 62 3.839 2.219 8.101 1.00 0.00 O ATOM 0 H GLU A 62 -0.723 4.547 5.630 1.00 0.00 H new ATOM 0 HA GLU A 62 0.229 3.897 8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.776 5.889 6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.015 5.624 8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.437 3.509 6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.710 4.504 6.815 1.00 0.00 H new ATOM 929 N SER A 63 -0.925 6.657 6.824 1.00 0.00 N ATOM 930 CA SER A 63 -1.763 7.834 7.051 1.00 0.00 C ATOM 931 C SER A 63 -3.205 7.605 6.597 1.00 0.00 C ATOM 932 O SER A 63 -3.478 6.735 5.771 1.00 0.00 O ATOM 933 CB SER A 63 -1.180 9.044 6.321 1.00 0.00 C ATOM 934 OG SER A 63 0.234 9.063 6.414 1.00 0.00 O ATOM 0 H SER A 63 -0.608 6.542 5.861 1.00 0.00 H new ATOM 0 HA SER A 63 -1.776 8.022 8.125 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.478 9.019 5.273 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.588 9.961 6.747 1.00 0.00 H new ATOM 0 HG SER A 63 0.583 9.845 5.938 1.00 0.00 H new ATOM 940 N PRO A 64 -4.149 8.396 7.143 1.00 0.00 N ATOM 941 CA PRO A 64 -5.568 8.294 6.806 1.00 0.00 C ATOM 942 C PRO A 64 -5.924 9.067 5.538 1.00 0.00 C ATOM 943 O PRO A 64 -6.703 8.597 4.709 1.00 0.00 O ATOM 944 CB PRO A 64 -6.244 8.921 8.020 1.00 0.00 C ATOM 945 CG PRO A 64 -5.282 9.961 8.487 1.00 0.00 C ATOM 946 CD PRO A 64 -3.901 9.457 8.140 1.00 0.00 C ATOM 0 HA PRO A 64 -5.874 7.268 6.602 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.206 9.360 7.756 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.434 8.179 8.796 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.479 10.917 8.002 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.377 10.123 9.561 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.277 10.252 7.731 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.386 9.067 9.018 1.00 0.00 H new ATOM 954 N ASP A 65 -5.346 10.255 5.388 1.00 0.00 N ATOM 955 CA ASP A 65 -5.599 11.083 4.223 1.00 0.00 C ATOM 956 C ASP A 65 -5.062 10.421 2.962 1.00 0.00 C ATOM 957 O ASP A 65 -5.481 10.741 1.850 1.00 0.00 O ATOM 958 CB ASP A 65 -4.946 12.440 4.407 1.00 0.00 C ATOM 959 CG ASP A 65 -5.744 13.355 5.314 1.00 0.00 C ATOM 960 OD1 ASP A 65 -6.939 13.581 5.029 1.00 0.00 O ATOM 961 OD2 ASP A 65 -5.174 13.848 6.311 1.00 0.00 O ATOM 0 H ASP A 65 -4.699 10.663 6.063 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.676 11.208 4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.947 12.305 4.822 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.825 12.915 3.434 1.00 0.00 H new ATOM 966 N ALA A 66 -4.126 9.494 3.144 1.00 0.00 N ATOM 967 CA ALA A 66 -3.526 8.785 2.027 1.00 0.00 C ATOM 968 C ALA A 66 -4.569 7.954 1.295 1.00 0.00 C ATOM 969 O ALA A 66 -4.533 7.827 0.071 1.00 0.00 O ATOM 970 CB ALA A 66 -2.397 7.898 2.520 1.00 0.00 C ATOM 0 H ALA A 66 -3.768 9.218 4.059 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.121 9.518 1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.953 7.371 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.637 8.511 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.789 7.174 3.235 1.00 0.00 H new ATOM 976 N LEU A 67 -5.502 7.393 2.054 1.00 0.00 N ATOM 977 CA LEU A 67 -6.561 6.575 1.485 1.00 0.00 C ATOM 978 C LEU A 67 -7.478 7.412 0.600 1.00 0.00 C ATOM 979 O LEU A 67 -7.816 7.016 -0.513 1.00 0.00 O ATOM 980 CB LEU A 67 -7.381 5.935 2.608 1.00 0.00 C ATOM 981 CG LEU A 67 -6.617 4.960 3.507 1.00 0.00 C ATOM 982 CD1 LEU A 67 -5.866 5.703 4.600 1.00 0.00 C ATOM 983 CD2 LEU A 67 -7.574 3.946 4.118 1.00 0.00 C ATOM 0 H LEU A 67 -5.545 7.491 3.068 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.102 5.797 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.794 6.729 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.225 5.407 2.163 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.888 4.431 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.331 4.988 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.154 6.393 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.574 6.262 5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.018 3.259 4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.324 4.466 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.067 3.386 3.323 1.00 0.00 H new ATOM 995 N LYS A 68 -7.873 8.574 1.104 1.00 0.00 N ATOM 996 CA LYS A 68 -8.757 9.476 0.373 1.00 0.00 C ATOM 997 C LYS A 68 -8.171 9.866 -0.981 1.00 0.00 C ATOM 998 O LYS A 68 -8.902 10.055 -1.955 1.00 0.00 O ATOM 999 CB LYS A 68 -9.025 10.731 1.200 1.00 0.00 C ATOM 1000 CG LYS A 68 -10.137 10.562 2.222 1.00 0.00 C ATOM 1001 CD LYS A 68 -11.470 10.252 1.555 1.00 0.00 C ATOM 1002 CE LYS A 68 -12.131 9.029 2.171 1.00 0.00 C ATOM 1003 NZ LYS A 68 -11.294 7.807 2.019 1.00 0.00 N ATOM 0 H LYS A 68 -7.593 8.917 2.023 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.693 8.948 0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.109 11.018 1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.282 11.550 0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.879 9.758 2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.229 11.473 2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.134 11.112 1.649 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.314 10.085 0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.317 9.212 3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.101 8.865 1.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.353 7.236 2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.638 7.248 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.305 8.082 1.853 1.00 0.00 H new ATOM 1017 N ALA A 69 -6.857 10.019 -1.026 1.00 0.00 N ATOM 1018 CA ALA A 69 -6.167 10.424 -2.246 1.00 0.00 C ATOM 1019 C ALA A 69 -6.233 9.387 -3.366 1.00 0.00 C ATOM 1020 O ALA A 69 -6.592 9.705 -4.501 1.00 0.00 O ATOM 1021 CB ALA A 69 -4.716 10.639 -1.910 1.00 0.00 C ATOM 0 H ALA A 69 -6.241 9.868 -0.227 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.663 11.325 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.176 10.943 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.629 11.418 -1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.290 9.712 -1.527 1.00 0.00 H new ATOM 1027 N LYS A 70 -5.848 8.158 -3.049 1.00 0.00 N ATOM 1028 CA LYS A 70 -5.820 7.089 -4.040 1.00 0.00 C ATOM 1029 C LYS A 70 -7.196 6.514 -4.296 1.00 0.00 C ATOM 1030 O LYS A 70 -7.505 6.100 -5.409 1.00 0.00 O ATOM 1031 CB LYS A 70 -4.870 5.981 -3.593 1.00 0.00 C ATOM 1032 CG LYS A 70 -3.436 6.451 -3.443 1.00 0.00 C ATOM 1033 CD LYS A 70 -2.907 7.046 -4.741 1.00 0.00 C ATOM 1034 CE LYS A 70 -2.505 8.503 -4.566 1.00 0.00 C ATOM 1035 NZ LYS A 70 -2.775 9.305 -5.790 1.00 0.00 N ATOM 0 H LYS A 70 -5.551 7.876 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.464 7.522 -4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.215 5.577 -2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.905 5.167 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.377 7.196 -2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.807 5.613 -3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.047 6.469 -5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.671 6.969 -5.515 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.049 8.931 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.444 8.560 -4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.487 10.291 -5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.236 8.913 -6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.791 9.272 -6.009 1.00 0.00 H new ATOM 1049 N VAL A 71 -8.016 6.475 -3.264 1.00 0.00 N ATOM 1050 CA VAL A 71 -9.364 5.923 -3.411 1.00 0.00 C ATOM 1051 C VAL A 71 -10.142 6.648 -4.497 1.00 0.00 C ATOM 1052 O VAL A 71 -10.778 6.015 -5.336 1.00 0.00 O ATOM 1053 CB VAL A 71 -10.168 5.959 -2.099 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -9.534 5.053 -1.056 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -10.294 7.383 -1.587 1.00 0.00 C ATOM 0 H VAL A 71 -7.786 6.810 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.229 4.879 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.172 5.586 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.118 5.093 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.513 4.029 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.516 5.387 -0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.866 7.387 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.301 7.793 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.806 7.993 -2.331 1.00 0.00 H new ATOM 1065 N ALA A 72 -10.083 7.972 -4.494 1.00 0.00 N ATOM 1066 CA ALA A 72 -10.785 8.757 -5.500 1.00 0.00 C ATOM 1067 C ALA A 72 -10.309 8.393 -6.904 1.00 0.00 C ATOM 1068 O ALA A 72 -11.116 8.192 -7.811 1.00 0.00 O ATOM 1069 CB ALA A 72 -10.588 10.243 -5.242 1.00 0.00 C ATOM 0 H ALA A 72 -9.561 8.522 -3.812 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.848 8.527 -5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.118 10.818 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.979 10.496 -4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.525 10.482 -5.283 1.00 0.00 H new ATOM 1075 N GLU A 73 -8.992 8.311 -7.074 1.00 0.00 N ATOM 1076 CA GLU A 73 -8.404 7.973 -8.369 1.00 0.00 C ATOM 1077 C GLU A 73 -8.585 6.492 -8.711 1.00 0.00 C ATOM 1078 O GLU A 73 -9.019 6.150 -9.811 1.00 0.00 O ATOM 1079 CB GLU A 73 -6.916 8.332 -8.378 1.00 0.00 C ATOM 1080 CG GLU A 73 -6.567 9.454 -9.340 1.00 0.00 C ATOM 1081 CD GLU A 73 -6.905 9.115 -10.778 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -6.874 7.917 -11.129 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -7.204 10.047 -11.554 1.00 0.00 O ATOM 0 H GLU A 73 -8.311 8.474 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.927 8.554 -9.129 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.614 8.621 -7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.339 7.446 -8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.102 10.358 -9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.502 9.675 -9.263 1.00 0.00 H new ATOM 1090 N ALA A 74 -8.228 5.620 -7.772 1.00 0.00 N ATOM 1091 CA ALA A 74 -8.323 4.176 -7.980 1.00 0.00 C ATOM 1092 C ALA A 74 -9.767 3.704 -8.132 1.00 0.00 C ATOM 1093 O ALA A 74 -10.069 2.889 -9.003 1.00 0.00 O ATOM 1094 CB ALA A 74 -7.641 3.429 -6.842 1.00 0.00 C ATOM 0 H ALA A 74 -7.869 5.889 -6.856 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.810 3.953 -8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.721 2.355 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.589 3.713 -6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.124 3.684 -5.899 1.00 0.00 H new ATOM 1100 N MET A 75 -10.659 4.203 -7.282 1.00 0.00 N ATOM 1101 CA MET A 75 -12.059 3.807 -7.339 1.00 0.00 C ATOM 1102 C MET A 75 -12.659 4.111 -8.707 1.00 0.00 C ATOM 1103 O MET A 75 -13.569 3.420 -9.163 1.00 0.00 O ATOM 1104 CB MET A 75 -12.858 4.520 -6.250 1.00 0.00 C ATOM 1105 CG MET A 75 -12.559 4.013 -4.847 1.00 0.00 C ATOM 1106 SD MET A 75 -13.819 2.879 -4.234 1.00 0.00 S ATOM 1107 CE MET A 75 -14.739 3.953 -3.137 1.00 0.00 C ATOM 0 H MET A 75 -10.438 4.878 -6.550 1.00 0.00 H new ATOM 0 HA MET A 75 -12.110 2.731 -7.172 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.645 5.588 -6.295 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.922 4.398 -6.453 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.592 3.510 -4.845 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.478 4.862 -4.168 1.00 0.00 H new ATOM 0 HE1 MET A 75 -15.555 3.393 -2.680 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.077 4.330 -2.358 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.146 4.790 -3.704 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.139 5.143 -9.364 1.00 0.00 N ATOM 1118 CA GLU A 76 -12.628 5.519 -10.684 1.00 0.00 C ATOM 1119 C GLU A 76 -12.383 4.392 -11.681 1.00 0.00 C ATOM 1120 O GLU A 76 -13.285 3.993 -12.417 1.00 0.00 O ATOM 1121 CB GLU A 76 -11.940 6.799 -11.162 1.00 0.00 C ATOM 1122 CG GLU A 76 -12.536 8.066 -10.572 1.00 0.00 C ATOM 1123 CD GLU A 76 -11.723 9.302 -10.902 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -10.483 9.251 -10.766 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -12.327 10.322 -11.300 1.00 0.00 O ATOM 0 H GLU A 76 -11.385 5.729 -9.007 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.701 5.701 -10.615 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.882 6.751 -10.904 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.001 6.850 -12.249 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.552 8.193 -10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.606 7.960 -9.489 1.00 0.00 H new ATOM 1132 N VAL A 77 -11.159 3.875 -11.691 1.00 0.00 N ATOM 1133 CA VAL A 77 -10.797 2.784 -12.587 1.00 0.00 C ATOM 1134 C VAL A 77 -11.369 1.458 -12.094 1.00 0.00 C ATOM 1135 O VAL A 77 -11.760 0.603 -12.889 1.00 0.00 O ATOM 1136 CB VAL A 77 -9.266 2.659 -12.735 1.00 0.00 C ATOM 1137 CG1 VAL A 77 -8.616 2.357 -11.392 1.00 0.00 C ATOM 1138 CG2 VAL A 77 -8.910 1.593 -13.762 1.00 0.00 C ATOM 0 H VAL A 77 -10.401 4.195 -11.088 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.224 3.017 -13.562 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.879 3.614 -13.090 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.537 2.273 -11.521 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.836 3.163 -10.692 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.009 1.419 -11.001 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.826 1.521 -13.851 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.313 0.632 -13.443 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.336 1.862 -14.728 1.00 0.00 H new ATOM 1148 N LEU A 78 -11.404 1.292 -10.774 1.00 0.00 N ATOM 1149 CA LEU A 78 -11.916 0.068 -10.166 1.00 0.00 C ATOM 1150 C LEU A 78 -13.441 0.017 -10.212 1.00 0.00 C ATOM 1151 O LEU A 78 -14.025 -0.730 -10.998 1.00 0.00 O ATOM 1152 CB LEU A 78 -11.443 -0.040 -8.714 1.00 0.00 C ATOM 1153 CG LEU A 78 -9.930 -0.176 -8.528 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -9.593 -0.403 -7.062 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -9.388 -1.313 -9.382 1.00 0.00 C ATOM 0 H LEU A 78 -11.083 1.991 -10.105 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.528 -0.773 -10.740 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.781 0.843 -8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.928 -0.901 -8.254 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.458 0.752 -8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.513 -0.498 -6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.948 0.442 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.076 -1.316 -6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.311 -1.395 -9.237 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.866 -2.248 -9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.599 -1.111 -10.432 1.00 0.00 H new ATOM 1167 N ARG A 79 -14.078 0.810 -9.356 1.00 0.00 N ATOM 1168 CA ARG A 79 -15.510 0.866 -9.270 1.00 0.00 C ATOM 1169 C ARG A 79 -16.125 1.337 -10.589 1.00 0.00 C ATOM 1170 O ARG A 79 -17.226 0.922 -10.952 1.00 0.00 O ATOM 1171 CB ARG A 79 -15.847 1.791 -8.098 1.00 0.00 C ATOM 1172 CG ARG A 79 -16.915 2.826 -8.376 1.00 0.00 C ATOM 1173 CD ARG A 79 -18.004 2.815 -7.313 1.00 0.00 C ATOM 1174 NE ARG A 79 -19.299 2.421 -7.862 1.00 0.00 N ATOM 1175 CZ ARG A 79 -20.094 3.240 -8.547 1.00 0.00 C ATOM 1176 NH1 ARG A 79 -19.730 4.497 -8.770 1.00 0.00 N ATOM 1177 NH2 ARG A 79 -21.256 2.801 -9.012 1.00 0.00 N ATOM 0 H ARG A 79 -13.600 1.431 -8.703 1.00 0.00 H new ATOM 0 HA ARG A 79 -15.935 -0.122 -9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.168 1.179 -7.255 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.937 2.306 -7.790 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.460 3.815 -8.419 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.359 2.636 -9.353 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.724 2.128 -6.514 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.085 3.806 -6.867 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.613 1.462 -7.712 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.837 4.840 -8.416 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.343 5.120 -9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -21.540 1.836 -8.845 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.865 3.429 -9.537 1.00 0.00 H new ATOM 1191 N SER A 80 -15.410 2.202 -11.300 1.00 0.00 N ATOM 1192 CA SER A 80 -15.892 2.721 -12.577 1.00 0.00 C ATOM 1193 C SER A 80 -14.970 2.297 -13.717 1.00 0.00 C ATOM 1194 O SER A 80 -14.127 1.417 -13.550 1.00 0.00 O ATOM 1195 CB SER A 80 -16.000 4.247 -12.523 1.00 0.00 C ATOM 1196 OG SER A 80 -17.287 4.681 -12.932 1.00 0.00 O ATOM 0 H SER A 80 -14.497 2.558 -11.016 1.00 0.00 H new ATOM 0 HA SER A 80 -16.882 2.304 -12.764 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.801 4.593 -11.509 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.241 4.692 -13.167 1.00 0.00 H new ATOM 0 HG SER A 80 -17.332 5.659 -12.887 1.00 0.00 H new ATOM 1202 N ALA A 81 -15.135 2.929 -14.875 1.00 0.00 N ATOM 1203 CA ALA A 81 -14.317 2.613 -16.039 1.00 0.00 C ATOM 1204 C ALA A 81 -13.964 3.872 -16.824 1.00 0.00 C ATOM 1205 O ALA A 81 -14.760 4.807 -16.908 1.00 0.00 O ATOM 1206 CB ALA A 81 -15.036 1.615 -16.934 1.00 0.00 C ATOM 0 H ALA A 81 -15.827 3.662 -15.031 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.388 2.166 -15.687 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.413 1.388 -17.799 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -15.229 0.699 -16.376 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -15.981 2.042 -17.269 1.00 0.00 H new ATOM 1212 N GLN A 82 -12.766 3.887 -17.398 1.00 0.00 N ATOM 1213 CA GLN A 82 -12.305 5.029 -18.179 1.00 0.00 C ATOM 1214 C GLN A 82 -11.357 4.582 -19.288 1.00 0.00 C ATOM 1215 O GLN A 82 -11.576 4.882 -20.461 1.00 0.00 O ATOM 1216 CB GLN A 82 -11.609 6.048 -17.275 1.00 0.00 C ATOM 1217 CG GLN A 82 -10.651 5.423 -16.273 1.00 0.00 C ATOM 1218 CD GLN A 82 -10.348 6.341 -15.106 1.00 0.00 C ATOM 1219 OE1 GLN A 82 -10.741 6.073 -13.971 1.00 0.00 O ATOM 1220 NE2 GLN A 82 -9.643 7.433 -15.380 1.00 0.00 N ATOM 0 H GLN A 82 -12.096 3.120 -17.337 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.176 5.498 -18.637 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -11.060 6.756 -17.896 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -12.365 6.617 -16.735 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.079 4.493 -15.898 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.720 5.164 -16.778 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.337 7.616 -16.336 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.407 8.088 -14.635 1.00 0.00 H new ATOM 1229 N GLN A 83 -10.306 3.858 -18.905 1.00 0.00 N ATOM 1230 CA GLN A 83 -9.319 3.357 -19.854 1.00 0.00 C ATOM 1231 C GLN A 83 -8.954 4.412 -20.899 1.00 0.00 C ATOM 1232 O GLN A 83 -9.171 4.218 -22.096 1.00 0.00 O ATOM 1233 CB GLN A 83 -9.845 2.096 -20.538 1.00 0.00 C ATOM 1234 CG GLN A 83 -11.179 2.292 -21.239 1.00 0.00 C ATOM 1235 CD GLN A 83 -11.559 1.109 -22.109 1.00 0.00 C ATOM 1236 OE1 GLN A 83 -12.533 0.407 -21.832 1.00 0.00 O ATOM 1237 NE2 GLN A 83 -10.789 0.880 -23.166 1.00 0.00 N ATOM 0 H GLN A 83 -10.118 3.605 -17.935 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.413 3.116 -19.298 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.109 1.754 -21.266 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -9.948 1.306 -19.794 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.957 2.455 -20.493 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.134 3.191 -21.854 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.992 1.487 -23.358 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.994 0.097 -23.787 1.00 0.00 H new ATOM 1246 N HIS A 84 -8.396 5.526 -20.439 1.00 0.00 N ATOM 1247 CA HIS A 84 -8.001 6.608 -21.333 1.00 0.00 C ATOM 1248 C HIS A 84 -6.590 7.093 -21.012 1.00 0.00 C ATOM 1249 O HIS A 84 -6.280 7.416 -19.865 1.00 0.00 O ATOM 1250 CB HIS A 84 -8.991 7.771 -21.229 1.00 0.00 C ATOM 1251 CG HIS A 84 -9.939 7.852 -22.386 1.00 0.00 C ATOM 1252 ND1 HIS A 84 -11.305 7.731 -22.250 1.00 0.00 N ATOM 1253 CD2 HIS A 84 -9.711 8.044 -23.707 1.00 0.00 C ATOM 1254 CE1 HIS A 84 -11.878 7.844 -23.435 1.00 0.00 C ATOM 1255 NE2 HIS A 84 -10.933 8.035 -24.337 1.00 0.00 N ATOM 0 H HIS A 84 -8.207 5.704 -19.453 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.009 6.224 -22.353 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.563 7.670 -20.307 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -8.435 8.706 -21.158 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.749 8.179 -24.178 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.938 7.789 -23.632 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -11.085 8.156 -25.338 1.00 0.00 H new ATOM 1263 N THR A 85 -5.740 7.141 -22.032 1.00 0.00 N ATOM 1264 CA THR A 85 -4.362 7.585 -21.859 1.00 0.00 C ATOM 1265 C THR A 85 -3.967 8.569 -22.956 1.00 0.00 C ATOM 1266 O THR A 85 -4.876 9.167 -23.570 1.00 0.00 O ATOM 1267 CB THR A 85 -3.412 6.386 -21.868 1.00 0.00 C ATOM 1268 OG1 THR A 85 -3.967 5.301 -21.144 1.00 0.00 O ATOM 1269 CG2 THR A 85 -2.057 6.693 -21.267 1.00 0.00 C ATOM 1270 OXT THR A 85 -2.751 8.734 -23.192 1.00 0.00 O ATOM 0 H THR A 85 -5.981 6.878 -22.987 1.00 0.00 H new ATOM 0 HA THR A 85 -4.288 8.091 -20.896 1.00 0.00 H new ATOM 0 HB THR A 85 -3.277 6.132 -22.919 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.346 4.543 -21.162 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.432 5.801 -21.304 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.581 7.494 -21.833 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.181 7.006 -20.230 1.00 0.00 H new TER 1278 THR A 85