USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 810 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 5 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 9 MET CE :methyl -131:sc= -0.129 (180deg=-0.697) USER MOD Set 1.3: A 85 HIS : no HD1:sc= -2.89 K(o=-3,f=-6.5!) USER MOD Set 2.1: A 46 HIS :FLIP no HD1:sc= -5.8! C(o=-12!,f=-7.5!) USER MOD Set 2.2: A 47 ASN : amide:sc= -1.66 K(o=-7.5,f=-8.5!) USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0.691 USER MOD Set 3.2: A 31 SER OG : rot -73:sc= 0.261 USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0743 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -41:sc= 1.16 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -147:sc= 0.952 USER MOD Single : A 22 SER OG : rot 118:sc= 0.0178 USER MOD Single : A 27 HIS : no HE2:sc= -7.28! C(o=-7.3!,f=-10!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -125:sc= 0.0414 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.83) USER MOD Single : A 40 GLN : amide:sc= -4.73! C(o=-4.7!,f=-6.5!) USER MOD Single : A 42 GLN : amide:sc= -2.67 K(o=-2.7,f=-3.8) USER MOD Single : A 48 GLN : amide:sc= -4.98! C(o=-5!,f=-10!) USER MOD Single : A 49 THR OG1 : rot 80:sc= 1.16 USER MOD Single : A 51 SER OG : rot -147:sc= -0.449 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0676 USER MOD Single : A 53 ASN : amide:sc= 0.21 K(o=0.21,f=-6.5!) USER MOD Single : A 55 ASN : amide:sc= -0.509 K(o=-0.51,f=-3.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.401 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -154:sc= -3.94 (180deg=-6.22!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 160:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 130:sc= -0.0146 USER MOD Single : A 88 MET CE :methyl -139:sc= -1.38 (180deg=-5.71!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.681 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -88:sc= 0.0116 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 45:sc= 0.171 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.456 12.413 13.366 1.00 0.00 N ATOM 2 CA GLY A 1 5.355 12.100 12.470 1.00 0.00 C ATOM 3 C GLY A 1 5.222 13.158 11.373 1.00 0.00 C ATOM 4 O GLY A 1 6.182 13.863 11.067 1.00 0.00 O ATOM 0 H1 GLY A 1 6.993 11.546 13.572 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.083 13.110 12.915 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.081 12.807 14.252 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.516 11.121 12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.426 12.040 13.037 1.00 0.00 H new ATOM 8 N SER A 2 4.025 13.236 10.812 1.00 0.00 N ATOM 9 CA SER A 2 3.754 14.196 9.756 1.00 0.00 C ATOM 10 C SER A 2 2.325 14.728 9.885 1.00 0.00 C ATOM 11 O SER A 2 1.370 14.047 9.514 1.00 0.00 O ATOM 12 CB SER A 2 3.965 13.571 8.375 1.00 0.00 C ATOM 13 OG SER A 2 4.601 14.472 7.473 1.00 0.00 O ATOM 0 H SER A 2 3.231 12.650 11.069 1.00 0.00 H new ATOM 0 HA SER A 2 4.454 15.025 9.861 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.570 12.670 8.474 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.003 13.266 7.964 1.00 0.00 H new ATOM 0 HG SER A 2 4.719 14.035 6.604 1.00 0.00 H new ATOM 19 N SER A 3 2.224 15.938 10.413 1.00 0.00 N ATOM 20 CA SER A 3 0.927 16.569 10.596 1.00 0.00 C ATOM 21 C SER A 3 0.028 15.677 11.453 1.00 0.00 C ATOM 22 O SER A 3 0.338 14.507 11.675 1.00 0.00 O ATOM 23 CB SER A 3 0.260 16.857 9.249 1.00 0.00 C ATOM 24 OG SER A 3 -0.421 15.716 8.736 1.00 0.00 O ATOM 0 H SER A 3 3.019 16.499 10.720 1.00 0.00 H new ATOM 0 HA SER A 3 1.078 17.520 11.107 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.446 17.680 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.015 17.181 8.533 1.00 0.00 H new ATOM 0 HG SER A 3 0.119 14.914 8.896 1.00 0.00 H new ATOM 30 N GLY A 4 -1.068 16.263 11.913 1.00 0.00 N ATOM 31 CA GLY A 4 -2.014 15.536 12.741 1.00 0.00 C ATOM 32 C GLY A 4 -2.775 14.493 11.919 1.00 0.00 C ATOM 33 O GLY A 4 -2.844 14.593 10.695 1.00 0.00 O ATOM 0 H GLY A 4 -1.322 17.233 11.728 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.485 15.045 13.558 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.719 16.234 13.192 1.00 0.00 H new ATOM 37 N SER A 5 -3.326 13.517 12.625 1.00 0.00 N ATOM 38 CA SER A 5 -4.079 12.457 11.976 1.00 0.00 C ATOM 39 C SER A 5 -5.415 13.001 11.465 1.00 0.00 C ATOM 40 O SER A 5 -6.181 13.590 12.226 1.00 0.00 O ATOM 41 CB SER A 5 -4.314 11.284 12.930 1.00 0.00 C ATOM 42 OG SER A 5 -4.632 10.084 12.232 1.00 0.00 O ATOM 0 H SER A 5 -3.266 13.438 13.640 1.00 0.00 H new ATOM 0 HA SER A 5 -3.495 12.092 11.131 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.422 11.125 13.536 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.125 11.531 13.615 1.00 0.00 H new ATOM 0 HG SER A 5 -4.773 9.359 12.876 1.00 0.00 H new ATOM 48 N SER A 6 -5.653 12.786 10.180 1.00 0.00 N ATOM 49 CA SER A 6 -6.883 13.247 9.559 1.00 0.00 C ATOM 50 C SER A 6 -7.562 12.092 8.821 1.00 0.00 C ATOM 51 O SER A 6 -6.905 11.128 8.430 1.00 0.00 O ATOM 52 CB SER A 6 -6.613 14.405 8.596 1.00 0.00 C ATOM 53 OG SER A 6 -7.734 15.278 8.483 1.00 0.00 O ATOM 0 H SER A 6 -5.015 12.298 9.551 1.00 0.00 H new ATOM 0 HA SER A 6 -7.547 13.609 10.344 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.747 14.970 8.942 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.362 14.008 7.612 1.00 0.00 H new ATOM 0 HG SER A 6 -7.521 16.005 7.861 1.00 0.00 H new ATOM 59 N GLY A 7 -8.869 12.226 8.653 1.00 0.00 N ATOM 60 CA GLY A 7 -9.645 11.205 7.969 1.00 0.00 C ATOM 61 C GLY A 7 -9.585 9.875 8.723 1.00 0.00 C ATOM 62 O GLY A 7 -9.986 9.795 9.883 1.00 0.00 O ATOM 0 H GLY A 7 -9.411 13.026 8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.682 11.530 7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.264 11.071 6.957 1.00 0.00 H new ATOM 66 N THR A 8 -9.081 8.862 8.032 1.00 0.00 N ATOM 67 CA THR A 8 -8.964 7.539 8.621 1.00 0.00 C ATOM 68 C THR A 8 -7.592 6.936 8.309 1.00 0.00 C ATOM 69 O THR A 8 -7.152 6.948 7.160 1.00 0.00 O ATOM 70 CB THR A 8 -10.131 6.690 8.113 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.241 7.124 8.894 1.00 0.00 O ATOM 72 CG2 THR A 8 -9.978 5.211 8.472 1.00 0.00 C ATOM 0 H THR A 8 -8.749 8.931 7.070 1.00 0.00 H new ATOM 0 HA THR A 8 -9.025 7.583 9.708 1.00 0.00 H new ATOM 0 HB THR A 8 -10.212 6.794 7.031 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.042 6.626 8.629 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.832 4.653 8.088 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.062 4.822 8.028 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.931 5.103 9.556 1.00 0.00 H new ATOM 80 N MET A 9 -6.955 6.424 9.352 1.00 0.00 N ATOM 81 CA MET A 9 -5.643 5.818 9.203 1.00 0.00 C ATOM 82 C MET A 9 -5.718 4.300 9.379 1.00 0.00 C ATOM 83 O MET A 9 -6.447 3.806 10.237 1.00 0.00 O ATOM 84 CB MET A 9 -4.688 6.406 10.243 1.00 0.00 C ATOM 85 CG MET A 9 -3.265 5.882 10.040 1.00 0.00 C ATOM 86 SD MET A 9 -3.079 4.296 10.838 1.00 0.00 S ATOM 87 CE MET A 9 -3.051 4.811 12.547 1.00 0.00 C ATOM 0 H MET A 9 -7.323 6.416 10.303 1.00 0.00 H new ATOM 0 HA MET A 9 -5.276 6.031 8.199 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.692 7.494 10.172 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.034 6.151 11.245 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.051 5.790 8.975 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.546 6.591 10.450 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.205 4.347 13.053 1.00 0.00 H new ATOM 0 HE2 MET A 9 -2.954 5.895 12.599 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.977 4.506 13.034 1.00 0.00 H new ATOM 97 N LEU A 10 -4.953 3.603 8.551 1.00 0.00 N ATOM 98 CA LEU A 10 -4.923 2.151 8.605 1.00 0.00 C ATOM 99 C LEU A 10 -3.477 1.681 8.775 1.00 0.00 C ATOM 100 O LEU A 10 -2.553 2.302 8.253 1.00 0.00 O ATOM 101 CB LEU A 10 -5.623 1.555 7.381 1.00 0.00 C ATOM 102 CG LEU A 10 -7.153 1.587 7.402 1.00 0.00 C ATOM 103 CD1 LEU A 10 -7.735 0.638 6.352 1.00 0.00 C ATOM 104 CD2 LEU A 10 -7.688 1.290 8.804 1.00 0.00 C ATOM 0 H LEU A 10 -4.350 4.016 7.840 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.480 1.790 9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.280 2.089 6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.302 0.519 7.272 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.478 2.594 7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.824 0.680 6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.393 0.937 5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.404 -0.380 6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.778 1.319 8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.355 0.301 9.119 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.313 2.038 9.502 1.00 0.00 H new ATOM 116 N ARG A 11 -3.327 0.587 9.508 1.00 0.00 N ATOM 117 CA ARG A 11 -2.009 0.027 9.754 1.00 0.00 C ATOM 118 C ARG A 11 -1.794 -1.221 8.895 1.00 0.00 C ATOM 119 O ARG A 11 -2.308 -2.293 9.211 1.00 0.00 O ATOM 120 CB ARG A 11 -1.834 -0.342 11.229 1.00 0.00 C ATOM 121 CG ARG A 11 -0.761 0.528 11.888 1.00 0.00 C ATOM 122 CD ARG A 11 -0.350 -0.044 13.246 1.00 0.00 C ATOM 123 NE ARG A 11 0.293 1.008 14.064 1.00 0.00 N ATOM 124 CZ ARG A 11 0.417 0.953 15.397 1.00 0.00 C ATOM 125 NH1 ARG A 11 -0.057 -0.104 16.071 1.00 0.00 N ATOM 126 NH2 ARG A 11 1.015 1.954 16.057 1.00 0.00 N ATOM 0 H ARG A 11 -4.096 0.074 9.939 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.272 0.786 9.491 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.781 -0.217 11.754 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.558 -1.393 11.314 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.111 0.592 11.237 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.138 1.543 12.016 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.225 -0.436 13.765 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.337 -0.878 13.106 1.00 0.00 H new ATOM 0 HE ARG A 11 0.665 1.827 13.583 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.512 -0.867 15.569 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.037 -0.146 17.086 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.376 2.759 15.545 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.109 1.911 17.072 1.00 0.00 H new ATOM 140 N VAL A 12 -1.034 -1.039 7.825 1.00 0.00 N ATOM 141 CA VAL A 12 -0.744 -2.137 6.918 1.00 0.00 C ATOM 142 C VAL A 12 0.600 -2.763 7.294 1.00 0.00 C ATOM 143 O VAL A 12 1.449 -2.105 7.893 1.00 0.00 O ATOM 144 CB VAL A 12 -0.790 -1.645 5.470 1.00 0.00 C ATOM 145 CG1 VAL A 12 -2.098 -0.905 5.183 1.00 0.00 C ATOM 146 CG2 VAL A 12 0.420 -0.764 5.152 1.00 0.00 C ATOM 0 H VAL A 12 -0.610 -0.148 7.566 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.501 -2.916 7.007 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.750 -2.518 4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.105 -0.566 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.940 -1.576 5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.182 -0.045 5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.363 -0.428 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.424 0.101 5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.336 -1.337 5.297 1.00 0.00 H new ATOM 156 N ARG A 13 0.750 -4.028 6.928 1.00 0.00 N ATOM 157 CA ARG A 13 1.977 -4.750 7.220 1.00 0.00 C ATOM 158 C ARG A 13 2.641 -5.215 5.922 1.00 0.00 C ATOM 159 O ARG A 13 2.019 -5.906 5.116 1.00 0.00 O ATOM 160 CB ARG A 13 1.702 -5.965 8.108 1.00 0.00 C ATOM 161 CG ARG A 13 2.976 -6.784 8.326 1.00 0.00 C ATOM 162 CD ARG A 13 3.539 -6.558 9.731 1.00 0.00 C ATOM 163 NE ARG A 13 3.721 -7.856 10.418 1.00 0.00 N ATOM 164 CZ ARG A 13 4.524 -8.041 11.475 1.00 0.00 C ATOM 165 NH1 ARG A 13 5.223 -7.012 11.973 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.627 -9.254 12.035 1.00 0.00 N ATOM 0 H ARG A 13 0.043 -4.571 6.432 1.00 0.00 H new ATOM 0 HA ARG A 13 2.644 -4.070 7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.308 -5.636 9.069 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.937 -6.591 7.648 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.761 -7.843 8.182 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.723 -6.507 7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.492 -6.033 9.670 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.863 -5.925 10.305 1.00 0.00 H new ATOM 0 HE ARG A 13 3.203 -8.660 10.065 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.144 -6.088 11.548 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.834 -7.152 12.777 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.094 -10.037 11.657 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.238 -9.394 12.839 1.00 0.00 H new ATOM 180 N SER A 14 3.894 -4.818 5.761 1.00 0.00 N ATOM 181 CA SER A 14 4.649 -5.186 4.575 1.00 0.00 C ATOM 182 C SER A 14 5.813 -6.102 4.958 1.00 0.00 C ATOM 183 O SER A 14 6.298 -6.055 6.087 1.00 0.00 O ATOM 184 CB SER A 14 5.168 -3.945 3.846 1.00 0.00 C ATOM 185 OG SER A 14 5.837 -3.048 4.729 1.00 0.00 O ATOM 0 H SER A 14 4.406 -4.245 6.432 1.00 0.00 H new ATOM 0 HA SER A 14 3.983 -5.720 3.898 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.851 -4.250 3.053 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.334 -3.430 3.369 1.00 0.00 H new ATOM 0 HG SER A 14 5.700 -2.126 4.425 1.00 0.00 H new ATOM 191 N ARG A 15 6.226 -6.914 3.997 1.00 0.00 N ATOM 192 CA ARG A 15 7.323 -7.840 4.219 1.00 0.00 C ATOM 193 C ARG A 15 8.524 -7.106 4.821 1.00 0.00 C ATOM 194 O ARG A 15 9.382 -7.723 5.449 1.00 0.00 O ATOM 195 CB ARG A 15 7.749 -8.515 2.914 1.00 0.00 C ATOM 196 CG ARG A 15 8.025 -7.476 1.825 1.00 0.00 C ATOM 197 CD ARG A 15 8.952 -8.044 0.748 1.00 0.00 C ATOM 198 NE ARG A 15 10.323 -8.188 1.286 1.00 0.00 N ATOM 199 CZ ARG A 15 11.292 -8.898 0.692 1.00 0.00 C ATOM 200 NH1 ARG A 15 11.046 -9.534 -0.462 1.00 0.00 N ATOM 201 NH2 ARG A 15 12.507 -8.974 1.252 1.00 0.00 N ATOM 0 H ARG A 15 5.820 -6.950 3.062 1.00 0.00 H new ATOM 0 HA ARG A 15 6.974 -8.605 4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.643 -9.114 3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.967 -9.197 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.085 -7.161 1.372 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.478 -6.590 2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.581 -9.012 0.411 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.960 -7.386 -0.121 1.00 0.00 H new ATOM 0 HE ARG A 15 10.544 -7.718 2.164 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.121 -9.478 -0.888 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.784 -10.074 -0.914 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.695 -8.491 2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.244 -9.515 0.800 1.00 0.00 H new ATOM 215 N ASP A 16 8.545 -5.799 4.606 1.00 0.00 N ATOM 216 CA ASP A 16 9.626 -4.974 5.119 1.00 0.00 C ATOM 217 C ASP A 16 9.376 -4.677 6.599 1.00 0.00 C ATOM 218 O ASP A 16 10.319 -4.576 7.383 1.00 0.00 O ATOM 219 CB ASP A 16 9.701 -3.639 4.375 1.00 0.00 C ATOM 220 CG ASP A 16 11.049 -3.340 3.718 1.00 0.00 C ATOM 221 OD1 ASP A 16 11.996 -3.039 4.477 1.00 0.00 O ATOM 222 OD2 ASP A 16 11.103 -3.418 2.471 1.00 0.00 O ATOM 0 H ASP A 16 7.831 -5.291 4.084 1.00 0.00 H new ATOM 0 HA ASP A 16 10.561 -5.517 4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.928 -3.625 3.606 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.469 -2.836 5.075 1.00 0.00 H new ATOM 227 N GLY A 17 8.102 -4.545 6.937 1.00 0.00 N ATOM 228 CA GLY A 17 7.717 -4.262 8.309 1.00 0.00 C ATOM 229 C GLY A 17 6.237 -3.883 8.396 1.00 0.00 C ATOM 230 O GLY A 17 5.372 -4.638 7.954 1.00 0.00 O ATOM 0 H GLY A 17 7.323 -4.629 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.910 -5.135 8.932 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.328 -3.449 8.702 1.00 0.00 H new ATOM 234 N LEU A 18 5.991 -2.714 8.969 1.00 0.00 N ATOM 235 CA LEU A 18 4.631 -2.226 9.120 1.00 0.00 C ATOM 236 C LEU A 18 4.554 -0.781 8.622 1.00 0.00 C ATOM 237 O LEU A 18 5.349 0.064 9.031 1.00 0.00 O ATOM 238 CB LEU A 18 4.154 -2.405 10.563 1.00 0.00 C ATOM 239 CG LEU A 18 2.898 -1.625 10.956 1.00 0.00 C ATOM 240 CD1 LEU A 18 1.649 -2.501 10.834 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.042 -1.023 12.355 1.00 0.00 C ATOM 0 H LEU A 18 6.711 -2.090 9.334 1.00 0.00 H new ATOM 0 HA LEU A 18 3.946 -2.812 8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.968 -3.465 10.734 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.964 -2.112 11.231 1.00 0.00 H new ATOM 0 HG LEU A 18 2.779 -0.795 10.260 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.770 -1.923 11.119 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.542 -2.840 9.804 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.745 -3.365 11.492 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.136 -0.474 12.610 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.199 -1.821 13.080 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.895 -0.344 12.373 1.00 0.00 H new ATOM 253 N GLU A 19 3.590 -0.542 7.745 1.00 0.00 N ATOM 254 CA GLU A 19 3.399 0.786 7.187 1.00 0.00 C ATOM 255 C GLU A 19 1.958 1.251 7.405 1.00 0.00 C ATOM 256 O GLU A 19 1.045 0.432 7.500 1.00 0.00 O ATOM 257 CB GLU A 19 3.764 0.814 5.701 1.00 0.00 C ATOM 258 CG GLU A 19 5.282 0.801 5.510 1.00 0.00 C ATOM 259 CD GLU A 19 5.649 0.515 4.052 1.00 0.00 C ATOM 260 OE1 GLU A 19 5.223 -0.552 3.559 1.00 0.00 O ATOM 261 OE2 GLU A 19 6.347 1.369 3.465 1.00 0.00 O ATOM 0 H GLU A 19 2.933 -1.245 7.407 1.00 0.00 H new ATOM 0 HA GLU A 19 4.066 1.476 7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.323 -0.047 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.343 1.705 5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.698 1.762 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.727 0.044 6.156 1.00 0.00 H new ATOM 268 N ARG A 20 1.798 2.564 7.479 1.00 0.00 N ATOM 269 CA ARG A 20 0.484 3.148 7.684 1.00 0.00 C ATOM 270 C ARG A 20 0.163 4.141 6.565 1.00 0.00 C ATOM 271 O ARG A 20 1.068 4.716 5.962 1.00 0.00 O ATOM 272 CB ARG A 20 0.405 3.868 9.032 1.00 0.00 C ATOM 273 CG ARG A 20 1.412 5.019 9.099 1.00 0.00 C ATOM 274 CD ARG A 20 0.808 6.235 9.804 1.00 0.00 C ATOM 275 NE ARG A 20 0.915 6.074 11.271 1.00 0.00 N ATOM 276 CZ ARG A 20 2.062 6.175 11.956 1.00 0.00 C ATOM 277 NH1 ARG A 20 3.207 6.436 11.311 1.00 0.00 N ATOM 278 NH2 ARG A 20 2.064 6.013 13.287 1.00 0.00 N ATOM 0 H ARG A 20 2.557 3.240 7.401 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.244 2.336 7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.603 4.253 9.184 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.601 3.161 9.838 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.307 4.694 9.630 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.722 5.295 8.091 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.326 7.142 9.491 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.237 6.350 9.518 1.00 0.00 H new ATOM 0 HE ARG A 20 0.062 5.874 11.793 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.206 6.558 10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.080 6.513 11.833 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.192 5.813 13.778 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.937 6.090 13.809 1.00 0.00 H new ATOM 292 N VAL A 21 -1.128 4.311 6.321 1.00 0.00 N ATOM 293 CA VAL A 21 -1.580 5.224 5.284 1.00 0.00 C ATOM 294 C VAL A 21 -2.953 5.782 5.665 1.00 0.00 C ATOM 295 O VAL A 21 -3.748 5.099 6.308 1.00 0.00 O ATOM 296 CB VAL A 21 -1.577 4.518 3.927 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.111 5.439 2.828 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.178 4.003 3.580 1.00 0.00 C ATOM 0 H VAL A 21 -1.876 3.832 6.823 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.898 6.070 5.196 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.243 3.658 3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.098 4.912 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.133 5.734 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.483 6.327 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.204 3.505 2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.518 4.841 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.149 3.296 4.342 1.00 0.00 H new ATOM 308 N SER A 22 -3.189 7.018 5.251 1.00 0.00 N ATOM 309 CA SER A 22 -4.452 7.676 5.541 1.00 0.00 C ATOM 310 C SER A 22 -5.424 7.478 4.376 1.00 0.00 C ATOM 311 O SER A 22 -5.058 7.671 3.218 1.00 0.00 O ATOM 312 CB SER A 22 -4.247 9.167 5.813 1.00 0.00 C ATOM 313 OG SER A 22 -5.387 9.759 6.431 1.00 0.00 O ATOM 0 H SER A 22 -2.527 7.581 4.717 1.00 0.00 H new ATOM 0 HA SER A 22 -4.874 7.225 6.439 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.376 9.302 6.454 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.035 9.681 4.875 1.00 0.00 H new ATOM 0 HG SER A 22 -5.140 10.096 7.318 1.00 0.00 H new ATOM 319 N VAL A 23 -6.644 7.096 4.723 1.00 0.00 N ATOM 320 CA VAL A 23 -7.671 6.870 3.721 1.00 0.00 C ATOM 321 C VAL A 23 -8.877 7.762 4.023 1.00 0.00 C ATOM 322 O VAL A 23 -8.781 8.692 4.822 1.00 0.00 O ATOM 323 CB VAL A 23 -8.028 5.383 3.663 1.00 0.00 C ATOM 324 CG1 VAL A 23 -6.768 4.522 3.542 1.00 0.00 C ATOM 325 CG2 VAL A 23 -8.860 4.970 4.878 1.00 0.00 C ATOM 0 H VAL A 23 -6.944 6.937 5.685 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.305 7.142 2.731 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.634 5.218 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.049 3.470 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.231 4.789 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.125 4.694 4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.100 3.909 4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.291 5.157 5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.783 5.550 4.901 1.00 0.00 H new ATOM 335 N ASP A 24 -9.985 7.447 3.368 1.00 0.00 N ATOM 336 CA ASP A 24 -11.208 8.208 3.556 1.00 0.00 C ATOM 337 C ASP A 24 -12.147 7.436 4.485 1.00 0.00 C ATOM 338 O ASP A 24 -12.478 7.909 5.571 1.00 0.00 O ATOM 339 CB ASP A 24 -11.933 8.424 2.226 1.00 0.00 C ATOM 340 CG ASP A 24 -11.023 8.748 1.039 1.00 0.00 C ATOM 341 OD1 ASP A 24 -10.186 7.879 0.712 1.00 0.00 O ATOM 342 OD2 ASP A 24 -11.184 9.857 0.486 1.00 0.00 O ATOM 0 H ASP A 24 -10.061 6.675 2.706 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.940 9.175 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.505 7.527 1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.650 9.236 2.348 1.00 0.00 H new ATOM 347 N GLY A 25 -12.548 6.260 4.025 1.00 0.00 N ATOM 348 CA GLY A 25 -13.442 5.418 4.802 1.00 0.00 C ATOM 349 C GLY A 25 -13.873 4.189 3.998 1.00 0.00 C ATOM 350 O GLY A 25 -13.195 3.792 3.052 1.00 0.00 O ATOM 0 H GLY A 25 -12.270 5.870 3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.944 5.101 5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.321 5.990 5.098 1.00 0.00 H new ATOM 354 N PRO A 26 -15.029 3.606 4.416 1.00 0.00 N ATOM 355 CA PRO A 26 -15.559 2.431 3.746 1.00 0.00 C ATOM 356 C PRO A 26 -16.191 2.803 2.403 1.00 0.00 C ATOM 357 O PRO A 26 -16.280 1.970 1.503 1.00 0.00 O ATOM 358 CB PRO A 26 -16.555 1.835 4.726 1.00 0.00 C ATOM 359 CG PRO A 26 -16.889 2.946 5.708 1.00 0.00 C ATOM 360 CD PRO A 26 -15.859 4.049 5.532 1.00 0.00 C ATOM 0 HA PRO A 26 -14.785 1.706 3.495 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.450 1.487 4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.129 0.974 5.241 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -17.893 3.329 5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.874 2.569 6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.336 5.005 5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.266 4.185 6.437 1.00 0.00 H new ATOM 368 N HIS A 27 -16.613 4.056 2.311 1.00 0.00 N ATOM 369 CA HIS A 27 -17.234 4.549 1.094 1.00 0.00 C ATOM 370 C HIS A 27 -16.293 4.322 -0.091 1.00 0.00 C ATOM 371 O HIS A 27 -16.723 4.343 -1.243 1.00 0.00 O ATOM 372 CB HIS A 27 -17.648 6.013 1.250 1.00 0.00 C ATOM 373 CG HIS A 27 -16.581 6.892 1.858 1.00 0.00 C ATOM 374 ND1 HIS A 27 -16.735 8.258 2.014 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.346 6.584 2.348 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.635 8.741 2.573 1.00 0.00 C ATOM 377 NE2 HIS A 27 -14.775 7.703 2.778 1.00 0.00 N ATOM 0 H HIS A 27 -16.537 4.744 3.060 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.150 3.992 0.898 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.917 6.410 0.271 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.542 6.063 1.871 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.555 8.801 1.745 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.907 5.598 2.381 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.452 9.776 2.823 1.00 0.00 H new ATOM 385 N ILE A 28 -15.026 4.110 0.233 1.00 0.00 N ATOM 386 CA ILE A 28 -14.020 3.879 -0.789 1.00 0.00 C ATOM 387 C ILE A 28 -13.885 2.375 -1.036 1.00 0.00 C ATOM 388 O ILE A 28 -14.321 1.567 -0.218 1.00 0.00 O ATOM 389 CB ILE A 28 -12.704 4.561 -0.410 1.00 0.00 C ATOM 390 CG1 ILE A 28 -11.983 3.785 0.694 1.00 0.00 C ATOM 391 CG2 ILE A 28 -12.935 6.024 -0.026 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.686 3.164 0.171 1.00 0.00 C ATOM 0 H ILE A 28 -14.673 4.093 1.190 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.326 4.331 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.053 4.557 -1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.761 4.452 1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.636 3.002 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.984 6.485 0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.374 6.557 -0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.612 6.074 0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.193 2.618 0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.914 2.479 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.025 3.952 -0.190 1.00 0.00 H new ATOM 404 N THR A 29 -13.278 2.045 -2.166 1.00 0.00 N ATOM 405 CA THR A 29 -13.080 0.652 -2.530 1.00 0.00 C ATOM 406 C THR A 29 -11.587 0.323 -2.585 1.00 0.00 C ATOM 407 O THR A 29 -10.749 1.223 -2.597 1.00 0.00 O ATOM 408 CB THR A 29 -13.806 0.402 -3.854 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.239 1.356 -4.747 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.286 0.784 -3.791 1.00 0.00 C ATOM 0 H THR A 29 -12.917 2.718 -2.842 1.00 0.00 H new ATOM 0 HA THR A 29 -13.501 -0.017 -1.780 1.00 0.00 H new ATOM 0 HB THR A 29 -13.714 -0.650 -4.125 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.652 1.263 -5.631 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.754 0.587 -4.756 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.782 0.194 -3.020 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.378 1.844 -3.553 1.00 0.00 H new ATOM 418 N VAL A 30 -11.300 -0.971 -2.616 1.00 0.00 N ATOM 419 CA VAL A 30 -9.923 -1.430 -2.669 1.00 0.00 C ATOM 420 C VAL A 30 -9.159 -0.621 -3.719 1.00 0.00 C ATOM 421 O VAL A 30 -7.994 -0.280 -3.520 1.00 0.00 O ATOM 422 CB VAL A 30 -9.884 -2.937 -2.931 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.447 -3.422 -3.132 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.569 -3.708 -1.801 1.00 0.00 C ATOM 0 H VAL A 30 -11.998 -1.715 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.429 -1.267 -1.711 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.435 -3.131 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.448 -4.496 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.005 -2.908 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.862 -3.208 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.527 -4.777 -2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.059 -3.504 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.610 -3.394 -1.725 1.00 0.00 H new ATOM 434 N SER A 31 -9.847 -0.337 -4.816 1.00 0.00 N ATOM 435 CA SER A 31 -9.248 0.426 -5.898 1.00 0.00 C ATOM 436 C SER A 31 -8.690 1.746 -5.361 1.00 0.00 C ATOM 437 O SER A 31 -7.519 2.060 -5.570 1.00 0.00 O ATOM 438 CB SER A 31 -10.263 0.692 -7.011 1.00 0.00 C ATOM 439 OG SER A 31 -11.162 1.745 -6.674 1.00 0.00 O ATOM 0 H SER A 31 -10.813 -0.622 -4.978 1.00 0.00 H new ATOM 0 HA SER A 31 -8.432 -0.161 -6.320 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.735 0.947 -7.930 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.829 -0.218 -7.210 1.00 0.00 H new ATOM 0 HG SER A 31 -11.801 1.427 -6.002 1.00 0.00 H new ATOM 445 N GLN A 32 -9.555 2.484 -4.681 1.00 0.00 N ATOM 446 CA GLN A 32 -9.164 3.763 -4.113 1.00 0.00 C ATOM 447 C GLN A 32 -8.126 3.557 -3.008 1.00 0.00 C ATOM 448 O GLN A 32 -7.198 4.352 -2.867 1.00 0.00 O ATOM 449 CB GLN A 32 -10.382 4.525 -3.587 1.00 0.00 C ATOM 450 CG GLN A 32 -11.319 4.917 -4.731 1.00 0.00 C ATOM 451 CD GLN A 32 -12.246 6.060 -4.314 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.877 7.223 -4.310 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.467 5.667 -3.963 1.00 0.00 N ATOM 0 H GLN A 32 -10.526 2.221 -4.511 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.713 4.366 -4.901 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.919 3.907 -2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.055 5.420 -3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.733 5.218 -5.599 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.913 4.054 -5.031 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.711 4.677 -3.989 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.159 6.356 -3.668 1.00 0.00 H new ATOM 462 N LEU A 33 -8.319 2.487 -2.251 1.00 0.00 N ATOM 463 CA LEU A 33 -7.411 2.167 -1.162 1.00 0.00 C ATOM 464 C LEU A 33 -5.997 1.992 -1.718 1.00 0.00 C ATOM 465 O LEU A 33 -5.061 2.649 -1.263 1.00 0.00 O ATOM 466 CB LEU A 33 -7.919 0.954 -0.380 1.00 0.00 C ATOM 467 CG LEU A 33 -6.938 0.345 0.623 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.244 1.434 1.442 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.635 -0.686 1.514 1.00 0.00 C ATOM 0 H LEU A 33 -9.091 1.831 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.373 2.987 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.823 1.244 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.206 0.181 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.163 -0.182 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.552 0.974 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.694 2.097 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.991 2.009 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.916 -1.104 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.443 -0.204 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.043 -1.485 0.895 1.00 0.00 H new ATOM 481 N LYS A 34 -5.884 1.103 -2.694 1.00 0.00 N ATOM 482 CA LYS A 34 -4.599 0.834 -3.317 1.00 0.00 C ATOM 483 C LYS A 34 -3.983 2.150 -3.795 1.00 0.00 C ATOM 484 O LYS A 34 -2.990 2.614 -3.237 1.00 0.00 O ATOM 485 CB LYS A 34 -4.749 -0.212 -4.423 1.00 0.00 C ATOM 486 CG LYS A 34 -5.005 -1.601 -3.833 1.00 0.00 C ATOM 487 CD LYS A 34 -5.905 -2.429 -4.753 1.00 0.00 C ATOM 488 CE LYS A 34 -5.680 -3.927 -4.536 1.00 0.00 C ATOM 489 NZ LYS A 34 -6.280 -4.707 -5.641 1.00 0.00 N ATOM 0 H LYS A 34 -6.662 0.560 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.908 0.403 -2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.573 0.065 -5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.846 -0.233 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.057 -2.118 -3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.472 -1.504 -2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.950 -2.183 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.701 -2.174 -5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.612 -4.135 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.120 -4.233 -3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.938 -5.412 -5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.796 -4.067 -6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.528 -5.192 -6.172 1.00 0.00 H new ATOM 503 N THR A 35 -4.598 2.716 -4.823 1.00 0.00 N ATOM 504 CA THR A 35 -4.122 3.970 -5.382 1.00 0.00 C ATOM 505 C THR A 35 -3.529 4.853 -4.283 1.00 0.00 C ATOM 506 O THR A 35 -2.439 5.401 -4.442 1.00 0.00 O ATOM 507 CB THR A 35 -5.286 4.626 -6.128 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.413 3.856 -7.320 1.00 0.00 O ATOM 509 CG2 THR A 35 -4.943 6.031 -6.627 1.00 0.00 C ATOM 0 H THR A 35 -5.422 2.329 -5.283 1.00 0.00 H new ATOM 0 HA THR A 35 -3.313 3.805 -6.093 1.00 0.00 H new ATOM 0 HB THR A 35 -6.155 4.675 -5.472 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.147 4.212 -7.863 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.802 6.452 -7.149 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.687 6.666 -5.779 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.094 5.978 -7.309 1.00 0.00 H new ATOM 517 N LEU A 36 -4.272 4.964 -3.192 1.00 0.00 N ATOM 518 CA LEU A 36 -3.834 5.771 -2.066 1.00 0.00 C ATOM 519 C LEU A 36 -2.461 5.284 -1.599 1.00 0.00 C ATOM 520 O LEU A 36 -1.495 6.045 -1.600 1.00 0.00 O ATOM 521 CB LEU A 36 -4.894 5.774 -0.963 1.00 0.00 C ATOM 522 CG LEU A 36 -6.000 6.822 -1.098 1.00 0.00 C ATOM 523 CD1 LEU A 36 -7.079 6.622 -0.032 1.00 0.00 C ATOM 524 CD2 LEU A 36 -5.420 8.238 -1.069 1.00 0.00 C ATOM 0 H LEU A 36 -5.175 4.508 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.718 6.812 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.357 4.788 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.394 5.924 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.479 6.690 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.853 7.380 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.521 5.632 -0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.633 6.711 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.227 8.964 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.900 8.399 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.719 8.361 -1.895 1.00 0.00 H new ATOM 536 N ILE A 37 -2.419 4.018 -1.211 1.00 0.00 N ATOM 537 CA ILE A 37 -1.180 3.420 -0.742 1.00 0.00 C ATOM 538 C ILE A 37 -0.160 3.411 -1.881 1.00 0.00 C ATOM 539 O ILE A 37 1.008 3.740 -1.677 1.00 0.00 O ATOM 540 CB ILE A 37 -1.446 2.037 -0.143 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.758 2.137 1.351 1.00 0.00 C ATOM 542 CG2 ILE A 37 -0.282 1.085 -0.424 1.00 0.00 C ATOM 543 CD1 ILE A 37 -3.078 1.439 1.684 1.00 0.00 C ATOM 0 H ILE A 37 -3.223 3.390 -1.212 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.751 4.014 0.065 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.328 1.619 -0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.949 1.686 1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.813 3.185 1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.496 0.109 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.150 0.980 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.631 1.487 0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.276 1.525 2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.888 1.908 1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.012 0.386 1.411 1.00 0.00 H new ATOM 555 N GLN A 38 -0.637 3.030 -3.057 1.00 0.00 N ATOM 556 CA GLN A 38 0.220 2.974 -4.230 1.00 0.00 C ATOM 557 C GLN A 38 0.955 4.303 -4.414 1.00 0.00 C ATOM 558 O GLN A 38 2.049 4.339 -4.976 1.00 0.00 O ATOM 559 CB GLN A 38 -0.586 2.615 -5.480 1.00 0.00 C ATOM 560 CG GLN A 38 0.137 3.075 -6.748 1.00 0.00 C ATOM 561 CD GLN A 38 -0.418 4.414 -7.240 1.00 0.00 C ATOM 562 OE1 GLN A 38 0.222 5.449 -7.155 1.00 0.00 O ATOM 563 NE2 GLN A 38 -1.640 4.335 -7.758 1.00 0.00 N ATOM 0 H GLN A 38 -1.606 2.757 -3.223 1.00 0.00 H new ATOM 0 HA GLN A 38 0.961 2.190 -4.078 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.745 1.537 -5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.570 3.080 -5.429 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.204 3.171 -6.548 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.025 2.322 -7.528 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.120 3.436 -7.799 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.098 5.174 -8.115 1.00 0.00 H new ATOM 572 N ASP A 39 0.325 5.364 -3.930 1.00 0.00 N ATOM 573 CA ASP A 39 0.906 6.691 -4.035 1.00 0.00 C ATOM 574 C ASP A 39 1.759 6.969 -2.796 1.00 0.00 C ATOM 575 O ASP A 39 2.972 7.144 -2.899 1.00 0.00 O ATOM 576 CB ASP A 39 -0.182 7.764 -4.109 1.00 0.00 C ATOM 577 CG ASP A 39 0.192 9.010 -4.915 1.00 0.00 C ATOM 578 OD1 ASP A 39 1.331 9.033 -5.428 1.00 0.00 O ATOM 579 OD2 ASP A 39 -0.670 9.911 -4.999 1.00 0.00 O ATOM 0 H ASP A 39 -0.582 5.331 -3.464 1.00 0.00 H new ATOM 0 HA ASP A 39 1.509 6.724 -4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.078 7.322 -4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.440 8.069 -3.095 1.00 0.00 H new ATOM 584 N GLN A 40 1.092 7.000 -1.651 1.00 0.00 N ATOM 585 CA GLN A 40 1.774 7.253 -0.394 1.00 0.00 C ATOM 586 C GLN A 40 2.961 6.302 -0.233 1.00 0.00 C ATOM 587 O GLN A 40 4.080 6.739 0.032 1.00 0.00 O ATOM 588 CB GLN A 40 0.809 7.130 0.788 1.00 0.00 C ATOM 589 CG GLN A 40 0.031 8.430 0.997 1.00 0.00 C ATOM 590 CD GLN A 40 -0.940 8.305 2.173 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.552 8.146 3.318 1.00 0.00 O ATOM 592 NE2 GLN A 40 -2.222 8.385 1.827 1.00 0.00 N ATOM 0 H GLN A 40 0.086 6.854 -1.568 1.00 0.00 H new ATOM 0 HA GLN A 40 2.152 8.275 -0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.113 6.310 0.610 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.366 6.885 1.693 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.727 9.249 1.181 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.521 8.678 0.090 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.479 8.519 0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.948 8.313 2.540 1.00 0.00 H new ATOM 601 N LEU A 41 2.677 5.018 -0.400 1.00 0.00 N ATOM 602 CA LEU A 41 3.708 4.001 -0.277 1.00 0.00 C ATOM 603 C LEU A 41 4.579 4.009 -1.535 1.00 0.00 C ATOM 604 O LEU A 41 5.735 3.591 -1.497 1.00 0.00 O ATOM 605 CB LEU A 41 3.083 2.639 0.030 1.00 0.00 C ATOM 606 CG LEU A 41 2.201 2.571 1.279 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.006 1.124 1.734 1.00 0.00 C ATOM 608 CD2 LEU A 41 2.765 3.452 2.395 1.00 0.00 C ATOM 0 H LEU A 41 1.748 4.659 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 41 4.363 4.222 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.486 2.334 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.885 1.909 0.136 1.00 0.00 H new ATOM 0 HG LEU A 41 1.216 2.963 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.376 1.104 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.528 0.553 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.975 0.682 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.120 3.386 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.767 3.112 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.810 4.486 2.054 1.00 0.00 H new ATOM 620 N GLN A 42 3.990 4.489 -2.621 1.00 0.00 N ATOM 621 CA GLN A 42 4.698 4.557 -3.888 1.00 0.00 C ATOM 622 C GLN A 42 4.944 3.149 -4.434 1.00 0.00 C ATOM 623 O GLN A 42 6.046 2.837 -4.883 1.00 0.00 O ATOM 624 CB GLN A 42 6.012 5.325 -3.742 1.00 0.00 C ATOM 625 CG GLN A 42 5.765 6.736 -3.203 1.00 0.00 C ATOM 626 CD GLN A 42 5.225 7.655 -4.300 1.00 0.00 C ATOM 627 OE1 GLN A 42 5.058 7.267 -5.444 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.963 8.893 -3.889 1.00 0.00 N ATOM 0 H GLN A 42 3.031 4.834 -2.649 1.00 0.00 H new ATOM 0 HA GLN A 42 4.076 5.099 -4.600 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.679 4.786 -3.069 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.513 5.383 -4.708 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.056 6.694 -2.377 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.694 7.145 -2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.126 9.153 -2.916 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.599 9.583 -4.547 1.00 0.00 H new ATOM 637 N ILE A 43 3.899 2.336 -4.378 1.00 0.00 N ATOM 638 CA ILE A 43 3.988 0.968 -4.862 1.00 0.00 C ATOM 639 C ILE A 43 2.898 0.730 -5.908 1.00 0.00 C ATOM 640 O ILE A 43 1.783 1.232 -5.774 1.00 0.00 O ATOM 641 CB ILE A 43 3.944 -0.017 -3.693 1.00 0.00 C ATOM 642 CG1 ILE A 43 5.072 0.263 -2.697 1.00 0.00 C ATOM 643 CG2 ILE A 43 3.967 -1.463 -4.193 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.834 -0.475 -1.378 1.00 0.00 C ATOM 0 H ILE A 43 2.987 2.598 -4.005 1.00 0.00 H new ATOM 0 HA ILE A 43 4.945 0.800 -5.355 1.00 0.00 H new ATOM 0 HB ILE A 43 3.003 0.125 -3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.025 -0.048 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.140 1.335 -2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.935 -2.143 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.102 -1.641 -4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.880 -1.637 -4.762 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.650 -0.259 -0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.892 -0.144 -0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.791 -1.548 -1.564 1.00 0.00 H new ATOM 656 N PRO A 44 3.267 -0.056 -6.955 1.00 0.00 N ATOM 657 CA PRO A 44 2.333 -0.367 -8.024 1.00 0.00 C ATOM 658 C PRO A 44 1.302 -1.400 -7.567 1.00 0.00 C ATOM 659 O PRO A 44 1.663 -2.474 -7.088 1.00 0.00 O ATOM 660 CB PRO A 44 3.199 -0.859 -9.172 1.00 0.00 C ATOM 661 CG PRO A 44 4.532 -1.246 -8.552 1.00 0.00 C ATOM 662 CD PRO A 44 4.579 -0.667 -7.147 1.00 0.00 C ATOM 0 HA PRO A 44 1.741 0.496 -8.331 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.738 -1.711 -9.671 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.329 -0.081 -9.924 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.638 -2.330 -8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.357 -0.861 -9.151 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.767 -1.443 -6.405 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.377 0.069 -7.048 1.00 0.00 H new ATOM 670 N ILE A 45 0.037 -1.039 -7.732 1.00 0.00 N ATOM 671 CA ILE A 45 -1.049 -1.922 -7.342 1.00 0.00 C ATOM 672 C ILE A 45 -0.821 -3.306 -7.954 1.00 0.00 C ATOM 673 O ILE A 45 -0.993 -4.321 -7.282 1.00 0.00 O ATOM 674 CB ILE A 45 -2.400 -1.303 -7.708 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.512 0.125 -7.169 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.555 -2.187 -7.235 1.00 0.00 C ATOM 677 CD1 ILE A 45 -3.948 0.641 -7.281 1.00 0.00 C ATOM 0 H ILE A 45 -0.259 -0.148 -8.130 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.065 -2.051 -6.260 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.466 -1.243 -8.794 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.193 0.151 -6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.841 0.781 -7.724 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.503 -1.724 -7.508 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.481 -3.167 -7.707 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.506 -2.302 -6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.001 1.658 -6.891 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.256 0.637 -8.327 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.612 -0.003 -6.705 1.00 0.00 H new ATOM 689 N HIS A 46 -0.438 -3.300 -9.223 1.00 0.00 N ATOM 690 CA HIS A 46 -0.185 -4.543 -9.933 1.00 0.00 C ATOM 691 C HIS A 46 0.703 -5.450 -9.079 1.00 0.00 C ATOM 692 O HIS A 46 0.695 -6.669 -9.247 1.00 0.00 O ATOM 693 CB HIS A 46 0.407 -4.266 -11.317 1.00 0.00 C ATOM 694 CG HIS A 46 1.812 -3.714 -11.285 1.00 0.00 C ATOM 695 ND1 HIS A 46 2.913 -4.120 -10.590 1.00 0.00 N flip ATOM 696 CD2 HIS A 46 2.202 -2.615 -12.030 1.00 0.00 C flip ATOM 697 CE1 HIS A 46 3.922 -3.313 -10.895 1.00 0.00 C flip ATOM 698 NE2 HIS A 46 3.484 -2.379 -11.787 1.00 0.00 N flip ATOM 0 H HIS A 46 -0.297 -2.455 -9.777 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.125 -5.068 -10.102 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.404 -5.191 -11.894 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.237 -3.561 -11.842 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.570 -2.046 -12.696 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.925 -3.384 -10.501 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.044 -1.631 -12.195 1.00 0.00 H new ATOM 706 N ASN A 47 1.448 -4.821 -8.182 1.00 0.00 N ATOM 707 CA ASN A 47 2.339 -5.557 -7.301 1.00 0.00 C ATOM 708 C ASN A 47 1.700 -5.673 -5.916 1.00 0.00 C ATOM 709 O ASN A 47 1.763 -6.727 -5.286 1.00 0.00 O ATOM 710 CB ASN A 47 3.679 -4.833 -7.144 1.00 0.00 C ATOM 711 CG ASN A 47 4.656 -5.244 -8.247 1.00 0.00 C ATOM 712 OD1 ASN A 47 4.466 -6.225 -8.948 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.711 -4.443 -8.361 1.00 0.00 N ATOM 0 H ASN A 47 1.453 -3.810 -8.046 1.00 0.00 H new ATOM 0 HA ASN A 47 2.509 -6.541 -7.738 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.520 -3.755 -7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.108 -5.062 -6.169 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.422 -4.633 -9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.810 -3.638 -7.742 1.00 0.00 H new ATOM 720 N GLN A 48 1.098 -4.575 -5.484 1.00 0.00 N ATOM 721 CA GLN A 48 0.447 -4.541 -4.185 1.00 0.00 C ATOM 722 C GLN A 48 -0.554 -5.692 -4.062 1.00 0.00 C ATOM 723 O GLN A 48 -1.242 -6.025 -5.025 1.00 0.00 O ATOM 724 CB GLN A 48 -0.236 -3.192 -3.949 1.00 0.00 C ATOM 725 CG GLN A 48 0.724 -2.035 -4.227 1.00 0.00 C ATOM 726 CD GLN A 48 0.391 -0.823 -3.354 1.00 0.00 C ATOM 727 OE1 GLN A 48 1.076 -0.510 -2.395 1.00 0.00 O ATOM 728 NE2 GLN A 48 -0.698 -0.163 -3.738 1.00 0.00 N ATOM 0 H GLN A 48 1.047 -3.702 -6.010 1.00 0.00 H new ATOM 0 HA GLN A 48 1.209 -4.665 -3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.111 -3.106 -4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.591 -3.135 -2.920 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.749 -2.354 -4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.668 -1.756 -5.279 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.226 -0.480 -4.551 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.005 0.660 -3.219 1.00 0.00 H new ATOM 737 N THR A 49 -0.602 -6.267 -2.869 1.00 0.00 N ATOM 738 CA THR A 49 -1.507 -7.373 -2.608 1.00 0.00 C ATOM 739 C THR A 49 -2.224 -7.172 -1.272 1.00 0.00 C ATOM 740 O THR A 49 -1.596 -7.213 -0.214 1.00 0.00 O ATOM 741 CB THR A 49 -0.699 -8.671 -2.675 1.00 0.00 C ATOM 742 OG1 THR A 49 0.022 -8.568 -3.900 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.585 -9.903 -2.866 1.00 0.00 C ATOM 0 H THR A 49 -0.029 -5.988 -2.073 1.00 0.00 H new ATOM 0 HA THR A 49 -2.295 -7.425 -3.359 1.00 0.00 H new ATOM 0 HB THR A 49 -0.115 -8.783 -1.761 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.804 -7.991 -3.772 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.962 -10.796 -2.907 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.281 -9.984 -2.031 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.145 -9.808 -3.797 1.00 0.00 H new ATOM 751 N LEU A 50 -3.528 -6.958 -1.362 1.00 0.00 N ATOM 752 CA LEU A 50 -4.337 -6.751 -0.173 1.00 0.00 C ATOM 753 C LEU A 50 -4.858 -8.100 0.326 1.00 0.00 C ATOM 754 O LEU A 50 -5.429 -8.872 -0.443 1.00 0.00 O ATOM 755 CB LEU A 50 -5.442 -5.729 -0.449 1.00 0.00 C ATOM 756 CG LEU A 50 -5.022 -4.258 -0.401 1.00 0.00 C ATOM 757 CD1 LEU A 50 -4.241 -3.952 0.878 1.00 0.00 C ATOM 758 CD2 LEU A 50 -4.240 -3.870 -1.657 1.00 0.00 C ATOM 0 H LEU A 50 -4.045 -6.923 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.734 -6.326 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.862 -5.934 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.241 -5.882 0.277 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.924 -3.646 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.955 -2.900 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.866 -4.165 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.345 -4.572 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.954 -2.820 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.344 -4.487 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.864 -4.027 -2.537 1.00 0.00 H new ATOM 770 N SER A 51 -4.643 -8.343 1.611 1.00 0.00 N ATOM 771 CA SER A 51 -5.083 -9.585 2.222 1.00 0.00 C ATOM 772 C SER A 51 -5.119 -9.436 3.744 1.00 0.00 C ATOM 773 O SER A 51 -4.233 -8.818 4.332 1.00 0.00 O ATOM 774 CB SER A 51 -4.172 -10.748 1.824 1.00 0.00 C ATOM 775 OG SER A 51 -4.846 -12.002 1.892 1.00 0.00 O ATOM 0 H SER A 51 -4.170 -7.700 2.246 1.00 0.00 H new ATOM 0 HA SER A 51 -6.088 -9.806 1.861 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.803 -10.589 0.811 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.302 -10.768 2.480 1.00 0.00 H new ATOM 0 HG SER A 51 -4.212 -12.700 2.158 1.00 0.00 H new ATOM 781 N THR A 52 -6.153 -10.012 4.339 1.00 0.00 N ATOM 782 CA THR A 52 -6.317 -9.951 5.781 1.00 0.00 C ATOM 783 C THR A 52 -5.615 -11.135 6.448 1.00 0.00 C ATOM 784 O THR A 52 -6.103 -11.672 7.442 1.00 0.00 O ATOM 785 CB THR A 52 -7.815 -9.883 6.085 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.393 -10.833 5.193 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.438 -8.550 5.665 1.00 0.00 C ATOM 0 H THR A 52 -6.886 -10.524 3.848 1.00 0.00 H new ATOM 0 HA THR A 52 -5.846 -9.059 6.195 1.00 0.00 H new ATOM 0 HB THR A 52 -7.977 -10.039 7.152 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.364 -10.856 5.324 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.502 -8.555 5.903 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.950 -7.736 6.200 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.307 -8.409 4.592 1.00 0.00 H new ATOM 795 N ASN A 53 -4.480 -11.508 5.875 1.00 0.00 N ATOM 796 CA ASN A 53 -3.705 -12.619 6.402 1.00 0.00 C ATOM 797 C ASN A 53 -2.222 -12.244 6.408 1.00 0.00 C ATOM 798 O ASN A 53 -1.760 -11.510 5.535 1.00 0.00 O ATOM 799 CB ASN A 53 -3.874 -13.868 5.535 1.00 0.00 C ATOM 800 CG ASN A 53 -3.713 -15.141 6.369 1.00 0.00 C ATOM 801 OD1 ASN A 53 -2.758 -15.312 7.109 1.00 0.00 O ATOM 802 ND2 ASN A 53 -4.697 -16.021 6.208 1.00 0.00 N ATOM 0 H ASN A 53 -4.078 -11.061 5.051 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.060 -12.829 7.411 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.858 -13.859 5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.137 -13.860 4.732 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.682 -16.903 6.721 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.467 -15.814 5.572 1.00 0.00 H new ATOM 809 N ARG A 54 -1.517 -12.764 7.401 1.00 0.00 N ATOM 810 CA ARG A 54 -0.095 -12.493 7.532 1.00 0.00 C ATOM 811 C ARG A 54 0.705 -13.380 6.576 1.00 0.00 C ATOM 812 O ARG A 54 1.836 -13.053 6.219 1.00 0.00 O ATOM 813 CB ARG A 54 0.383 -12.739 8.964 1.00 0.00 C ATOM 814 CG ARG A 54 0.322 -14.226 9.315 1.00 0.00 C ATOM 815 CD ARG A 54 -0.201 -14.433 10.738 1.00 0.00 C ATOM 816 NE ARG A 54 0.868 -14.138 11.718 1.00 0.00 N ATOM 817 CZ ARG A 54 0.721 -14.244 13.046 1.00 0.00 C ATOM 818 NH1 ARG A 54 -0.451 -14.640 13.560 1.00 0.00 N ATOM 819 NH2 ARG A 54 1.746 -13.955 13.859 1.00 0.00 N ATOM 0 H ARG A 54 -1.904 -13.372 8.123 1.00 0.00 H new ATOM 0 HA ARG A 54 0.067 -11.444 7.282 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.405 -12.377 9.077 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.235 -12.172 9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.325 -14.744 8.607 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.315 -14.666 9.221 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.059 -13.785 10.917 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.546 -15.460 10.862 1.00 0.00 H new ATOM 0 HE ARG A 54 1.774 -13.835 11.360 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.231 -14.861 12.941 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.563 -14.721 14.571 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.638 -13.654 13.467 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.634 -14.036 14.870 1.00 0.00 H new ATOM 833 N ASN A 55 0.086 -14.485 6.187 1.00 0.00 N ATOM 834 CA ASN A 55 0.725 -15.421 5.278 1.00 0.00 C ATOM 835 C ASN A 55 1.189 -14.674 4.026 1.00 0.00 C ATOM 836 O ASN A 55 2.120 -15.108 3.349 1.00 0.00 O ATOM 837 CB ASN A 55 -0.248 -16.517 4.841 1.00 0.00 C ATOM 838 CG ASN A 55 -0.401 -17.581 5.930 1.00 0.00 C ATOM 839 OD1 ASN A 55 0.411 -17.703 6.833 1.00 0.00 O ATOM 840 ND2 ASN A 55 -1.483 -18.342 5.796 1.00 0.00 N ATOM 0 H ASN A 55 -0.852 -14.753 6.485 1.00 0.00 H new ATOM 0 HA ASN A 55 1.568 -15.875 5.800 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.220 -16.077 4.618 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.110 -16.981 3.922 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.674 -19.081 6.473 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.122 -18.187 5.017 1.00 0.00 H new ATOM 847 N LEU A 56 0.519 -13.564 3.756 1.00 0.00 N ATOM 848 CA LEU A 56 0.851 -12.752 2.597 1.00 0.00 C ATOM 849 C LEU A 56 2.360 -12.504 2.569 1.00 0.00 C ATOM 850 O LEU A 56 3.004 -12.686 1.537 1.00 0.00 O ATOM 851 CB LEU A 56 0.017 -11.470 2.584 1.00 0.00 C ATOM 852 CG LEU A 56 -0.653 -11.119 1.254 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.928 -9.617 1.159 1.00 0.00 C ATOM 854 CD2 LEU A 56 0.175 -11.626 0.072 1.00 0.00 C ATOM 0 H LEU A 56 -0.253 -13.207 4.320 1.00 0.00 H new ATOM 0 HA LEU A 56 0.597 -13.279 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.757 -11.556 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.660 -10.639 2.875 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.617 -11.626 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.404 -9.394 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.588 -9.316 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.012 -9.070 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.324 -11.363 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.163 -11.167 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.276 -12.709 0.137 1.00 0.00 H new ATOM 866 N LEU A 57 2.882 -12.093 3.715 1.00 0.00 N ATOM 867 CA LEU A 57 4.303 -11.818 3.835 1.00 0.00 C ATOM 868 C LEU A 57 5.094 -13.072 3.459 1.00 0.00 C ATOM 869 O LEU A 57 6.212 -12.978 2.954 1.00 0.00 O ATOM 870 CB LEU A 57 4.630 -11.281 5.230 1.00 0.00 C ATOM 871 CG LEU A 57 4.305 -9.806 5.474 1.00 0.00 C ATOM 872 CD1 LEU A 57 2.796 -9.562 5.429 1.00 0.00 C ATOM 873 CD2 LEU A 57 4.926 -9.317 6.784 1.00 0.00 C ATOM 0 H LEU A 57 2.345 -11.944 4.570 1.00 0.00 H new ATOM 0 HA LEU A 57 4.598 -11.033 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.088 -11.878 5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.693 -11.434 5.417 1.00 0.00 H new ATOM 0 HG LEU A 57 4.750 -9.221 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.593 -8.506 5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.410 -9.847 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.308 -10.159 6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.680 -8.266 6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.532 -9.903 7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.009 -9.433 6.739 1.00 0.00 H new ATOM 885 N LEU A 58 4.483 -14.219 3.719 1.00 0.00 N ATOM 886 CA LEU A 58 5.116 -15.491 3.413 1.00 0.00 C ATOM 887 C LEU A 58 5.157 -15.684 1.896 1.00 0.00 C ATOM 888 O LEU A 58 6.187 -16.065 1.343 1.00 0.00 O ATOM 889 CB LEU A 58 4.418 -16.630 4.160 1.00 0.00 C ATOM 890 CG LEU A 58 4.187 -16.408 5.656 1.00 0.00 C ATOM 891 CD1 LEU A 58 3.492 -17.616 6.287 1.00 0.00 C ATOM 892 CD2 LEU A 58 5.497 -16.063 6.368 1.00 0.00 C ATOM 0 H LEU A 58 3.556 -14.294 4.138 1.00 0.00 H new ATOM 0 HA LEU A 58 6.148 -15.497 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.453 -16.811 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.010 -17.537 4.034 1.00 0.00 H new ATOM 0 HG LEU A 58 3.521 -15.553 5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.339 -17.433 7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.528 -17.774 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.113 -18.502 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.305 -15.910 7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.206 -16.881 6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.915 -15.152 5.940 1.00 0.00 H new ATOM 904 N ALA A 59 4.023 -15.412 1.266 1.00 0.00 N ATOM 905 CA ALA A 59 3.917 -15.552 -0.176 1.00 0.00 C ATOM 906 C ALA A 59 5.117 -14.875 -0.840 1.00 0.00 C ATOM 907 O ALA A 59 5.288 -13.661 -0.732 1.00 0.00 O ATOM 908 CB ALA A 59 2.584 -14.968 -0.648 1.00 0.00 C ATOM 0 H ALA A 59 3.170 -15.096 1.728 1.00 0.00 H new ATOM 0 HA ALA A 59 3.933 -16.604 -0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.504 -15.073 -1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.763 -15.502 -0.170 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.534 -13.912 -0.381 1.00 0.00 H new ATOM 914 N LYS A 60 5.918 -15.688 -1.512 1.00 0.00 N ATOM 915 CA LYS A 60 7.098 -15.183 -2.193 1.00 0.00 C ATOM 916 C LYS A 60 6.891 -15.283 -3.705 1.00 0.00 C ATOM 917 O LYS A 60 7.507 -14.543 -4.470 1.00 0.00 O ATOM 918 CB LYS A 60 8.353 -15.903 -1.696 1.00 0.00 C ATOM 919 CG LYS A 60 8.935 -15.205 -0.464 1.00 0.00 C ATOM 920 CD LYS A 60 9.884 -14.076 -0.871 1.00 0.00 C ATOM 921 CE LYS A 60 11.189 -14.635 -1.440 1.00 0.00 C ATOM 922 NZ LYS A 60 12.255 -13.610 -1.395 1.00 0.00 N ATOM 0 H LYS A 60 5.773 -16.694 -1.600 1.00 0.00 H new ATOM 0 HA LYS A 60 7.250 -14.129 -1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.110 -16.937 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.100 -15.930 -2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.126 -14.803 0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.469 -15.930 0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.402 -13.441 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.100 -13.448 -0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.495 -15.512 -0.870 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.034 -14.962 -2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.134 -14.006 -1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.967 -12.785 -1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.414 -13.318 -0.410 1.00 0.00 H new ATOM 936 N SER A 61 6.020 -16.203 -4.091 1.00 0.00 N ATOM 937 CA SER A 61 5.723 -16.409 -5.499 1.00 0.00 C ATOM 938 C SER A 61 4.373 -15.780 -5.846 1.00 0.00 C ATOM 939 O SER A 61 3.686 -15.253 -4.972 1.00 0.00 O ATOM 940 CB SER A 61 5.720 -17.898 -5.849 1.00 0.00 C ATOM 941 OG SER A 61 6.704 -18.218 -6.829 1.00 0.00 O ATOM 0 H SER A 61 5.510 -16.815 -3.454 1.00 0.00 H new ATOM 0 HA SER A 61 6.504 -15.927 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.903 -18.483 -4.947 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.735 -18.182 -6.219 1.00 0.00 H new ATOM 0 HG SER A 61 6.671 -19.178 -7.024 1.00 0.00 H new ATOM 947 N PRO A 62 4.023 -15.856 -7.158 1.00 0.00 N ATOM 948 CA PRO A 62 2.767 -15.301 -7.632 1.00 0.00 C ATOM 949 C PRO A 62 1.588 -16.189 -7.230 1.00 0.00 C ATOM 950 O PRO A 62 0.595 -15.703 -6.691 1.00 0.00 O ATOM 951 CB PRO A 62 2.934 -15.180 -9.138 1.00 0.00 C ATOM 952 CG PRO A 62 4.088 -16.098 -9.505 1.00 0.00 C ATOM 953 CD PRO A 62 4.811 -16.473 -8.222 1.00 0.00 C ATOM 0 HA PRO A 62 2.543 -14.330 -7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.021 -15.473 -9.657 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.147 -14.151 -9.426 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.720 -16.991 -10.011 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.768 -15.599 -10.195 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.864 -17.555 -8.099 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.836 -16.102 -8.222 1.00 0.00 H new ATOM 961 N SER A 63 1.736 -17.476 -7.509 1.00 0.00 N ATOM 962 CA SER A 63 0.696 -18.436 -7.184 1.00 0.00 C ATOM 963 C SER A 63 0.226 -18.231 -5.742 1.00 0.00 C ATOM 964 O SER A 63 -0.970 -18.283 -5.462 1.00 0.00 O ATOM 965 CB SER A 63 1.189 -19.871 -7.382 1.00 0.00 C ATOM 966 OG SER A 63 0.454 -20.553 -8.395 1.00 0.00 O ATOM 0 H SER A 63 2.561 -17.876 -7.957 1.00 0.00 H new ATOM 0 HA SER A 63 -0.143 -18.272 -7.860 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.246 -19.858 -7.648 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.103 -20.417 -6.442 1.00 0.00 H new ATOM 0 HG SER A 63 0.800 -21.465 -8.492 1.00 0.00 H new ATOM 972 N ASP A 64 1.193 -18.002 -4.866 1.00 0.00 N ATOM 973 CA ASP A 64 0.894 -17.789 -3.460 1.00 0.00 C ATOM 974 C ASP A 64 -0.067 -16.606 -3.321 1.00 0.00 C ATOM 975 O ASP A 64 -1.116 -16.725 -2.690 1.00 0.00 O ATOM 976 CB ASP A 64 2.163 -17.462 -2.670 1.00 0.00 C ATOM 977 CG ASP A 64 2.222 -18.063 -1.264 1.00 0.00 C ATOM 978 OD1 ASP A 64 1.210 -17.924 -0.544 1.00 0.00 O ATOM 979 OD2 ASP A 64 3.278 -18.648 -0.941 1.00 0.00 O ATOM 0 H ASP A 64 2.184 -17.959 -5.103 1.00 0.00 H new ATOM 0 HA ASP A 64 0.451 -18.704 -3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.026 -17.814 -3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.254 -16.379 -2.590 1.00 0.00 H new ATOM 984 N PHE A 65 0.326 -15.492 -3.922 1.00 0.00 N ATOM 985 CA PHE A 65 -0.487 -14.289 -3.873 1.00 0.00 C ATOM 986 C PHE A 65 -1.848 -14.520 -4.533 1.00 0.00 C ATOM 987 O PHE A 65 -2.808 -13.805 -4.250 1.00 0.00 O ATOM 988 CB PHE A 65 0.267 -13.208 -4.650 1.00 0.00 C ATOM 989 CG PHE A 65 1.551 -12.732 -3.968 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.568 -12.516 -2.626 1.00 0.00 C ATOM 991 CD2 PHE A 65 2.675 -12.525 -4.705 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.760 -12.074 -1.993 1.00 0.00 C ATOM 993 CE2 PHE A 65 3.867 -12.083 -4.072 1.00 0.00 C ATOM 994 CZ PHE A 65 3.884 -11.867 -2.729 1.00 0.00 C ATOM 0 H PHE A 65 1.197 -15.398 -4.445 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.661 -13.999 -2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.514 -13.592 -5.640 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.393 -12.353 -4.796 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.675 -12.681 -2.041 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.661 -12.697 -5.771 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.773 -11.902 -0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.760 -11.918 -4.657 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.790 -11.531 -2.248 1.00 0.00 H new ATOM 1004 N LEU A 66 -1.887 -15.521 -5.400 1.00 0.00 N ATOM 1005 CA LEU A 66 -3.114 -15.855 -6.103 1.00 0.00 C ATOM 1006 C LEU A 66 -4.074 -16.555 -5.139 1.00 0.00 C ATOM 1007 O LEU A 66 -5.258 -16.707 -5.437 1.00 0.00 O ATOM 1008 CB LEU A 66 -2.807 -16.667 -7.362 1.00 0.00 C ATOM 1009 CG LEU A 66 -1.989 -15.951 -8.439 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -1.379 -16.953 -9.421 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.831 -14.890 -9.152 1.00 0.00 C ATOM 0 H LEU A 66 -1.088 -16.112 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.612 -14.950 -6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.271 -17.569 -7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.751 -16.987 -7.803 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.163 -15.433 -7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.803 -16.418 -10.176 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.724 -17.638 -8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.175 -17.518 -9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.226 -14.396 -9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.691 -15.365 -9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.176 -14.152 -8.428 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.528 -16.963 -4.002 1.00 0.00 N ATOM 1024 CA ALA A 67 -4.321 -17.643 -2.993 1.00 0.00 C ATOM 1025 C ALA A 67 -5.223 -16.627 -2.289 1.00 0.00 C ATOM 1026 O ALA A 67 -6.360 -16.940 -1.937 1.00 0.00 O ATOM 1027 CB ALA A 67 -3.393 -18.371 -2.019 1.00 0.00 C ATOM 0 H ALA A 67 -2.546 -16.835 -3.758 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.965 -18.393 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.988 -18.881 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.795 -19.102 -2.564 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.734 -17.650 -1.537 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.683 -15.432 -2.105 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.425 -14.368 -1.449 1.00 0.00 C ATOM 1035 C PHE A 68 -6.208 -13.538 -2.468 1.00 0.00 C ATOM 1036 O PHE A 68 -5.630 -12.729 -3.192 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.400 -13.469 -0.757 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.444 -14.217 0.175 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -3.825 -14.513 1.446 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -2.212 -14.586 -0.269 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -2.938 -15.208 2.310 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -1.325 -15.281 0.595 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.707 -15.577 1.866 1.00 0.00 C ATOM 0 H PHE A 68 -3.740 -15.176 -2.399 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.137 -14.792 -0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.817 -12.948 -1.517 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.928 -12.708 -0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.803 -14.219 1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.909 -14.350 -1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.241 -15.443 3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.347 -15.574 0.243 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.032 -16.105 2.523 1.00 0.00 H new ATOM 1053 N THR A 69 -7.513 -13.767 -2.492 1.00 0.00 N ATOM 1054 CA THR A 69 -8.382 -13.050 -3.410 1.00 0.00 C ATOM 1055 C THR A 69 -9.594 -12.486 -2.667 1.00 0.00 C ATOM 1056 O THR A 69 -10.735 -12.784 -3.016 1.00 0.00 O ATOM 1057 CB THR A 69 -8.756 -14.002 -4.548 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.388 -15.097 -3.891 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.529 -14.626 -5.216 1.00 0.00 C ATOM 0 H THR A 69 -7.990 -14.439 -1.890 1.00 0.00 H new ATOM 0 HA THR A 69 -7.875 -12.187 -3.842 1.00 0.00 H new ATOM 0 HB THR A 69 -9.341 -13.464 -5.294 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.665 -15.762 -4.556 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.850 -15.293 -6.016 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.900 -13.838 -5.631 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.961 -15.192 -4.478 1.00 0.00 H new ATOM 1067 N ASP A 70 -9.306 -11.681 -1.655 1.00 0.00 N ATOM 1068 CA ASP A 70 -10.358 -11.072 -0.859 1.00 0.00 C ATOM 1069 C ASP A 70 -10.385 -9.566 -1.122 1.00 0.00 C ATOM 1070 O ASP A 70 -11.435 -8.932 -1.022 1.00 0.00 O ATOM 1071 CB ASP A 70 -10.112 -11.287 0.636 1.00 0.00 C ATOM 1072 CG ASP A 70 -8.648 -11.198 1.070 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -8.109 -10.071 1.019 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -8.101 -12.258 1.441 1.00 0.00 O ATOM 0 H ASP A 70 -8.358 -11.436 -1.368 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.304 -11.536 -1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.686 -10.547 1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.499 -12.267 0.915 1.00 0.00 H new ATOM 1079 N MET A 71 -9.217 -9.035 -1.455 1.00 0.00 N ATOM 1080 CA MET A 71 -9.093 -7.614 -1.734 1.00 0.00 C ATOM 1081 C MET A 71 -8.607 -7.376 -3.165 1.00 0.00 C ATOM 1082 O MET A 71 -7.996 -6.349 -3.454 1.00 0.00 O ATOM 1083 CB MET A 71 -8.107 -6.984 -0.748 1.00 0.00 C ATOM 1084 CG MET A 71 -8.714 -6.895 0.654 1.00 0.00 C ATOM 1085 SD MET A 71 -9.599 -5.356 0.839 1.00 0.00 S ATOM 1086 CE MET A 71 -8.228 -4.212 0.869 1.00 0.00 C ATOM 0 H MET A 71 -8.348 -9.563 -1.538 1.00 0.00 H new ATOM 0 HA MET A 71 -10.075 -7.154 -1.623 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.192 -7.576 -0.715 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.830 -5.988 -1.092 1.00 0.00 H new ATOM 0 HG2 MET A 71 -9.389 -7.735 0.821 1.00 0.00 H new ATOM 0 HG3 MET A 71 -7.927 -6.964 1.405 1.00 0.00 H new ATOM 0 HE1 MET A 71 -8.515 -3.315 1.418 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.374 -4.680 1.359 1.00 0.00 H new ATOM 0 HE3 MET A 71 -7.957 -3.942 -0.152 1.00 0.00 H new ATOM 1096 N ALA A 72 -8.897 -8.344 -4.022 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.497 -8.253 -5.416 1.00 0.00 C ATOM 1098 C ALA A 72 -9.481 -7.353 -6.167 1.00 0.00 C ATOM 1099 O ALA A 72 -9.074 -6.528 -6.983 1.00 0.00 O ATOM 1100 CB ALA A 72 -8.417 -9.658 -6.017 1.00 0.00 C ATOM 0 H ALA A 72 -9.404 -9.195 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.507 -7.804 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.117 -9.590 -7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.684 -10.248 -5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.393 -10.138 -5.950 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.757 -7.543 -5.864 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.802 -6.760 -6.500 1.00 0.00 C ATOM 1108 C ASP A 73 -11.609 -5.282 -6.152 1.00 0.00 C ATOM 1109 O ASP A 73 -11.639 -4.908 -4.980 1.00 0.00 O ATOM 1110 CB ASP A 73 -13.187 -7.185 -6.007 1.00 0.00 C ATOM 1111 CG ASP A 73 -14.357 -6.414 -6.623 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -14.231 -6.045 -7.810 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -15.350 -6.212 -5.892 1.00 0.00 O ATOM 0 H ASP A 73 -11.090 -8.228 -5.186 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.737 -6.922 -7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.321 -8.246 -6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.223 -7.066 -4.924 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.410 -4.461 -7.218 1.00 0.00 N ATOM 1119 CA PRO A 74 -11.212 -3.033 -7.036 1.00 0.00 C ATOM 1120 C PRO A 74 -12.532 -2.335 -6.701 1.00 0.00 C ATOM 1121 O PRO A 74 -12.535 -1.198 -6.232 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.601 -2.552 -8.341 1.00 0.00 C ATOM 1123 CG PRO A 74 -10.907 -3.630 -9.368 1.00 0.00 C ATOM 1124 CD PRO A 74 -11.369 -4.869 -8.619 1.00 0.00 C ATOM 0 HA PRO A 74 -10.557 -2.802 -6.196 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.026 -1.594 -8.642 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.526 -2.405 -8.238 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.679 -3.291 -10.059 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.022 -3.852 -9.964 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.349 -5.198 -8.964 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.682 -5.702 -8.769 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.621 -3.046 -6.954 1.00 0.00 N ATOM 1133 CA ASN A 75 -14.944 -2.509 -6.685 1.00 0.00 C ATOM 1134 C ASN A 75 -15.406 -2.971 -5.301 1.00 0.00 C ATOM 1135 O ASN A 75 -16.509 -2.640 -4.868 1.00 0.00 O ATOM 1136 CB ASN A 75 -15.961 -3.008 -7.713 1.00 0.00 C ATOM 1137 CG ASN A 75 -15.715 -2.370 -9.082 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -16.106 -1.246 -9.351 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -15.045 -3.147 -9.928 1.00 0.00 N ATOM 0 H ASN A 75 -13.614 -3.989 -7.342 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.883 -1.422 -6.736 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.897 -4.093 -7.797 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.970 -2.774 -7.375 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.829 -2.812 -10.867 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.747 -4.078 -9.638 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.539 -3.730 -4.646 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.844 -4.241 -3.321 1.00 0.00 C ATOM 1148 C LEU A 76 -14.540 -3.161 -2.280 1.00 0.00 C ATOM 1149 O LEU A 76 -13.488 -2.526 -2.329 1.00 0.00 O ATOM 1150 CB LEU A 76 -14.109 -5.559 -3.072 1.00 0.00 C ATOM 1151 CG LEU A 76 -14.050 -6.031 -1.618 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -14.671 -7.421 -1.467 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.617 -5.982 -1.083 1.00 0.00 C ATOM 0 H LEU A 76 -13.626 -4.003 -5.009 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.905 -4.475 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.588 -6.337 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.089 -5.458 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.643 -5.346 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.616 -7.733 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -15.714 -7.390 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.126 -8.132 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.603 -6.323 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.981 -6.630 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.245 -4.959 -1.133 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.480 -2.987 -1.363 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.326 -1.996 -0.312 1.00 0.00 C ATOM 1167 C ARG A 77 -14.593 -2.602 0.887 1.00 0.00 C ATOM 1168 O ARG A 77 -14.647 -3.811 1.105 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.684 -1.462 0.147 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.448 -0.832 -1.020 1.00 0.00 C ATOM 1171 CD ARG A 77 -18.350 -1.862 -1.705 1.00 0.00 C ATOM 1172 NE ARG A 77 -19.499 -1.182 -2.344 1.00 0.00 N ATOM 1173 CZ ARG A 77 -20.414 -1.804 -3.099 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -20.320 -3.124 -3.315 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -21.423 -1.108 -3.639 1.00 0.00 N ATOM 0 H ARG A 77 -16.351 -3.516 -1.326 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.743 -1.170 -0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.272 -2.274 0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.541 -0.722 0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -18.051 0.001 -0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.742 -0.423 -1.743 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -17.782 -2.415 -2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.707 -2.588 -0.975 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.600 -0.177 -2.200 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -19.552 -3.655 -2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.017 -3.598 -3.890 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -21.495 -0.104 -3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -22.119 -1.582 -4.214 1.00 0.00 H new ATOM 1189 N ILE A 78 -13.924 -1.734 1.632 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.182 -2.169 2.803 1.00 0.00 C ATOM 1191 C ILE A 78 -14.163 -2.617 3.887 1.00 0.00 C ATOM 1192 O ILE A 78 -13.798 -3.370 4.788 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.216 -1.074 3.261 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -12.977 0.173 3.716 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -11.191 -0.754 2.171 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -12.202 0.923 4.802 1.00 0.00 C ATOM 0 H ILE A 78 -13.880 -0.732 1.447 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.560 -3.031 2.562 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.662 -1.446 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.145 0.832 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.958 -0.114 4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.517 0.027 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.617 -1.650 1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.708 -0.410 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.765 1.805 5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.056 0.270 5.662 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.232 1.229 4.411 1.00 0.00 H new ATOM 1208 N SER A 79 -15.391 -2.134 3.765 1.00 0.00 N ATOM 1209 CA SER A 79 -16.429 -2.475 4.723 1.00 0.00 C ATOM 1210 C SER A 79 -16.666 -3.987 4.721 1.00 0.00 C ATOM 1211 O SER A 79 -17.248 -4.528 5.660 1.00 0.00 O ATOM 1212 CB SER A 79 -17.730 -1.733 4.414 1.00 0.00 C ATOM 1213 OG SER A 79 -18.251 -2.080 3.134 1.00 0.00 O ATOM 0 H SER A 79 -15.690 -1.509 3.017 1.00 0.00 H new ATOM 0 HA SER A 79 -16.095 -2.167 5.714 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.470 -1.963 5.181 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.553 -0.658 4.454 1.00 0.00 H new ATOM 0 HG SER A 79 -19.083 -1.587 2.975 1.00 0.00 H new ATOM 1219 N SER A 80 -16.204 -4.625 3.656 1.00 0.00 N ATOM 1220 CA SER A 80 -16.359 -6.063 3.519 1.00 0.00 C ATOM 1221 C SER A 80 -15.556 -6.781 4.605 1.00 0.00 C ATOM 1222 O SER A 80 -15.917 -7.879 5.026 1.00 0.00 O ATOM 1223 CB SER A 80 -15.918 -6.535 2.133 1.00 0.00 C ATOM 1224 OG SER A 80 -16.317 -7.879 1.874 1.00 0.00 O ATOM 0 H SER A 80 -15.722 -4.172 2.879 1.00 0.00 H new ATOM 0 HA SER A 80 -17.415 -6.306 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.343 -5.878 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.834 -6.457 2.051 1.00 0.00 H new ATOM 0 HG SER A 80 -16.314 -8.041 0.907 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.481 -6.132 5.028 1.00 0.00 N ATOM 1231 CA LEU A 81 -13.623 -6.695 6.057 1.00 0.00 C ATOM 1232 C LEU A 81 -13.753 -5.863 7.335 1.00 0.00 C ATOM 1233 O LEU A 81 -13.060 -6.118 8.319 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.186 -6.821 5.548 1.00 0.00 C ATOM 1235 CG LEU A 81 -11.993 -6.660 4.038 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.540 -6.320 3.705 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.478 -7.903 3.289 1.00 0.00 C ATOM 0 H LEU A 81 -14.185 -5.221 4.677 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.939 -7.709 6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.575 -6.073 6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.802 -7.798 5.841 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.604 -5.822 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.430 -6.211 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.264 -5.386 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.889 -7.120 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.330 -7.763 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.912 -8.773 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.538 -8.059 3.491 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.644 -4.885 7.278 1.00 0.00 N ATOM 1250 CA ASN A 82 -14.873 -4.014 8.418 1.00 0.00 C ATOM 1251 C ASN A 82 -13.531 -3.483 8.926 1.00 0.00 C ATOM 1252 O ASN A 82 -13.120 -3.794 10.043 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.547 -4.771 9.564 1.00 0.00 C ATOM 1254 CG ASN A 82 -17.070 -4.645 9.484 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -17.678 -3.772 10.080 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -17.649 -5.564 8.716 1.00 0.00 N ATOM 0 H ASN A 82 -15.216 -4.676 6.460 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.521 -3.199 8.095 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.263 -5.823 9.526 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.196 -4.380 10.519 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.662 -5.565 8.598 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -17.080 -6.267 8.245 1.00 0.00 H new ATOM 1263 N LEU A 83 -12.886 -2.691 8.083 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.600 -2.114 8.433 1.00 0.00 C ATOM 1265 C LEU A 83 -11.816 -0.731 9.051 1.00 0.00 C ATOM 1266 O LEU A 83 -12.143 0.223 8.347 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.668 -2.106 7.219 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.353 -3.472 6.606 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -9.542 -3.321 5.318 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -9.655 -4.380 7.620 1.00 0.00 C ATOM 0 H LEU A 83 -13.230 -2.435 7.158 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.101 -2.725 9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.114 -1.478 6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.729 -1.635 7.510 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.295 -3.952 6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.332 -4.307 4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.112 -2.737 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.604 -2.812 5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.442 -5.344 7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.722 -3.917 7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.303 -4.526 8.484 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.626 -0.667 10.360 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.796 0.583 11.081 1.00 0.00 C ATOM 1284 C ALA A 84 -10.427 1.227 11.308 1.00 0.00 C ATOM 1285 O ALA A 84 -9.399 0.642 10.972 1.00 0.00 O ATOM 1286 CB ALA A 84 -12.541 0.319 12.392 1.00 0.00 C ATOM 0 H ALA A 84 -11.356 -1.461 10.941 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.397 1.283 10.499 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.669 1.257 12.933 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.519 -0.111 12.175 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.967 -0.377 13.003 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.458 2.423 11.877 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.232 3.153 12.152 1.00 0.00 C ATOM 1294 C HIS A 85 -8.436 2.426 13.238 1.00 0.00 C ATOM 1295 O HIS A 85 -8.762 2.520 14.420 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.536 4.608 12.513 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.307 5.472 12.668 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -8.212 6.744 12.132 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -7.124 5.233 13.304 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -7.022 7.239 12.437 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.349 6.301 13.163 1.00 0.00 N ATOM 0 H HIS A 85 -11.313 2.905 12.155 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.613 3.184 11.255 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.174 5.037 11.741 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.103 4.630 13.444 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.863 4.328 13.833 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.650 8.214 12.160 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.405 6.403 13.536 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.406 1.718 12.798 1.00 0.00 N ATOM 1310 CA GLY A 86 -6.560 0.976 13.717 1.00 0.00 C ATOM 1311 C GLY A 86 -6.481 -0.499 13.320 1.00 0.00 C ATOM 1312 O GLY A 86 -5.593 -1.221 13.772 1.00 0.00 O ATOM 0 H GLY A 86 -7.138 1.643 11.817 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.559 1.408 13.725 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.953 1.063 14.730 1.00 0.00 H new ATOM 1316 N SER A 87 -7.421 -0.904 12.478 1.00 0.00 N ATOM 1317 CA SER A 87 -7.468 -2.280 12.014 1.00 0.00 C ATOM 1318 C SER A 87 -6.083 -2.719 11.535 1.00 0.00 C ATOM 1319 O SER A 87 -5.145 -1.924 11.526 1.00 0.00 O ATOM 1320 CB SER A 87 -8.495 -2.449 10.893 1.00 0.00 C ATOM 1321 OG SER A 87 -8.750 -3.821 10.604 1.00 0.00 O ATOM 0 H SER A 87 -8.156 -0.303 12.105 1.00 0.00 H new ATOM 0 HA SER A 87 -7.774 -2.911 12.848 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.426 -1.960 11.178 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.135 -1.950 9.993 1.00 0.00 H new ATOM 0 HG SER A 87 -9.717 -3.980 10.597 1.00 0.00 H new ATOM 1327 N MET A 88 -5.998 -3.984 11.150 1.00 0.00 N ATOM 1328 CA MET A 88 -4.744 -4.538 10.671 1.00 0.00 C ATOM 1329 C MET A 88 -4.889 -5.070 9.243 1.00 0.00 C ATOM 1330 O MET A 88 -5.935 -5.606 8.880 1.00 0.00 O ATOM 1331 CB MET A 88 -4.300 -5.673 11.596 1.00 0.00 C ATOM 1332 CG MET A 88 -2.937 -6.224 11.173 1.00 0.00 C ATOM 1333 SD MET A 88 -1.642 -5.452 12.129 1.00 0.00 S ATOM 1334 CE MET A 88 -0.615 -4.826 10.810 1.00 0.00 C ATOM 0 H MET A 88 -6.778 -4.641 11.160 1.00 0.00 H new ATOM 0 HA MET A 88 -3.996 -3.745 10.669 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.247 -5.311 12.623 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.041 -6.472 11.578 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.912 -7.304 11.317 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.775 -6.040 10.111 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.434 -4.984 11.060 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.851 -5.352 9.885 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.801 -3.760 10.679 1.00 0.00 H new ATOM 1344 N VAL A 89 -3.823 -4.904 8.473 1.00 0.00 N ATOM 1345 CA VAL A 89 -3.819 -5.360 7.094 1.00 0.00 C ATOM 1346 C VAL A 89 -2.381 -5.657 6.664 1.00 0.00 C ATOM 1347 O VAL A 89 -1.433 -5.169 7.277 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.509 -4.329 6.199 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -3.761 -2.995 6.222 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -4.652 -4.853 4.768 1.00 0.00 C ATOM 0 H VAL A 89 -2.957 -4.460 8.778 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.386 -6.286 6.997 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.510 -4.159 6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.272 -2.280 5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.734 -2.610 7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.742 -3.143 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.146 -4.101 4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.665 -5.066 4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.248 -5.766 4.773 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.264 -6.456 5.614 1.00 0.00 N ATOM 1361 CA TYR A 90 -0.957 -6.824 5.095 1.00 0.00 C ATOM 1362 C TYR A 90 -0.827 -6.445 3.618 1.00 0.00 C ATOM 1363 O TYR A 90 -1.745 -6.673 2.832 1.00 0.00 O ATOM 1364 CB TYR A 90 -0.864 -8.345 5.228 1.00 0.00 C ATOM 1365 CG TYR A 90 -0.832 -8.842 6.675 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.351 -8.822 7.386 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -1.986 -9.311 7.269 1.00 0.00 C ATOM 1368 CE1 TYR A 90 0.381 -9.290 8.747 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -1.956 -9.778 8.631 1.00 0.00 C ATOM 1370 CZ TYR A 90 -0.774 -9.745 9.303 1.00 0.00 C ATOM 1371 OH TYR A 90 -0.746 -10.186 10.589 1.00 0.00 O ATOM 0 H TYR A 90 -3.053 -6.859 5.108 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.168 -6.307 5.641 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.715 -8.797 4.718 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.034 -8.690 4.716 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.254 -8.455 6.921 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.911 -9.328 6.713 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.300 -9.280 9.314 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.852 -10.146 9.108 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.643 -10.480 10.854 1.00 0.00 H new ATOM 1381 N LEU A 91 0.321 -5.872 3.287 1.00 0.00 N ATOM 1382 CA LEU A 91 0.583 -5.459 1.919 1.00 0.00 C ATOM 1383 C LEU A 91 1.773 -6.249 1.371 1.00 0.00 C ATOM 1384 O LEU A 91 2.889 -6.125 1.873 1.00 0.00 O ATOM 1385 CB LEU A 91 0.765 -3.941 1.843 1.00 0.00 C ATOM 1386 CG LEU A 91 1.301 -3.396 0.518 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.202 -3.362 -0.546 1.00 0.00 C ATOM 1388 CD2 LEU A 91 1.952 -2.025 0.712 1.00 0.00 C ATOM 0 H LEU A 91 1.080 -5.684 3.942 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.272 -5.687 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.197 -3.469 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.443 -3.636 2.640 1.00 0.00 H new ATOM 0 HG LEU A 91 2.076 -4.073 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.610 -2.971 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.176 -4.371 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.612 -2.720 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.325 -1.660 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.215 -1.325 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.781 -2.112 1.415 1.00 0.00 H new ATOM 1400 N ALA A 92 1.494 -7.045 0.349 1.00 0.00 N ATOM 1401 CA ALA A 92 2.527 -7.855 -0.272 1.00 0.00 C ATOM 1402 C ALA A 92 2.754 -7.373 -1.707 1.00 0.00 C ATOM 1403 O ALA A 92 1.835 -7.391 -2.524 1.00 0.00 O ATOM 1404 CB ALA A 92 2.126 -9.330 -0.210 1.00 0.00 C ATOM 0 H ALA A 92 0.567 -7.146 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 92 3.470 -7.750 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.901 -9.938 -0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.006 -9.631 0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.185 -9.474 -0.740 1.00 0.00 H new ATOM 1410 N TYR A 93 3.984 -6.954 -1.969 1.00 0.00 N ATOM 1411 CA TYR A 93 4.343 -6.468 -3.290 1.00 0.00 C ATOM 1412 C TYR A 93 5.741 -6.947 -3.689 1.00 0.00 C ATOM 1413 O TYR A 93 6.526 -7.359 -2.837 1.00 0.00 O ATOM 1414 CB TYR A 93 4.348 -4.942 -3.191 1.00 0.00 C ATOM 1415 CG TYR A 93 5.365 -4.387 -2.192 1.00 0.00 C ATOM 1416 CD1 TYR A 93 5.005 -4.203 -0.872 1.00 0.00 C ATOM 1417 CD2 TYR A 93 6.641 -4.070 -2.610 1.00 0.00 C ATOM 1418 CE1 TYR A 93 5.962 -3.680 0.069 1.00 0.00 C ATOM 1419 CE2 TYR A 93 7.598 -3.547 -1.669 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.211 -3.378 -0.376 1.00 0.00 C ATOM 1421 OH TYR A 93 8.115 -2.885 0.513 1.00 0.00 O ATOM 0 H TYR A 93 4.744 -6.941 -1.289 1.00 0.00 H new ATOM 0 HA TYR A 93 3.641 -6.836 -4.038 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.557 -4.525 -4.176 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.352 -4.603 -2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.006 -4.451 -0.545 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.922 -4.214 -3.643 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.694 -3.531 1.104 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.600 -3.295 -1.983 1.00 0.00 H new ATOM 0 HH TYR A 93 8.965 -2.716 0.055 1.00 0.00 H new ATOM 1431 N GLU A 94 6.008 -6.875 -4.985 1.00 0.00 N ATOM 1432 CA GLU A 94 7.297 -7.296 -5.507 1.00 0.00 C ATOM 1433 C GLU A 94 8.167 -6.076 -5.819 1.00 0.00 C ATOM 1434 O GLU A 94 7.681 -5.087 -6.365 1.00 0.00 O ATOM 1435 CB GLU A 94 7.126 -8.179 -6.744 1.00 0.00 C ATOM 1436 CG GLU A 94 8.435 -8.281 -7.530 1.00 0.00 C ATOM 1437 CD GLU A 94 8.672 -9.712 -8.017 1.00 0.00 C ATOM 1438 OE1 GLU A 94 9.248 -10.492 -7.229 1.00 0.00 O ATOM 1439 OE2 GLU A 94 8.272 -9.993 -9.168 1.00 0.00 O ATOM 0 H GLU A 94 5.354 -6.532 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 94 7.800 -7.891 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.800 -9.174 -6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.345 -7.768 -7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.405 -7.603 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.267 -7.965 -6.901 1.00 0.00 H new ATOM 1446 N GLY A 95 9.437 -6.187 -5.460 1.00 0.00 N ATOM 1447 CA GLY A 95 10.379 -5.106 -5.696 1.00 0.00 C ATOM 1448 C GLY A 95 10.159 -3.962 -4.704 1.00 0.00 C ATOM 1449 O GLY A 95 9.111 -3.882 -4.065 1.00 0.00 O ATOM 0 H GLY A 95 9.836 -7.009 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.399 -5.481 -5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.266 -4.736 -6.715 1.00 0.00 H new ATOM 1453 N GLU A 96 11.164 -3.105 -4.606 1.00 0.00 N ATOM 1454 CA GLU A 96 11.094 -1.969 -3.703 1.00 0.00 C ATOM 1455 C GLU A 96 10.046 -0.967 -4.191 1.00 0.00 C ATOM 1456 O GLU A 96 9.376 -1.203 -5.194 1.00 0.00 O ATOM 1457 CB GLU A 96 12.463 -1.302 -3.553 1.00 0.00 C ATOM 1458 CG GLU A 96 12.870 -0.590 -4.845 1.00 0.00 C ATOM 1459 CD GLU A 96 13.452 0.794 -4.548 1.00 0.00 C ATOM 1460 OE1 GLU A 96 14.196 0.894 -3.549 1.00 0.00 O ATOM 1461 OE2 GLU A 96 13.140 1.719 -5.328 1.00 0.00 O ATOM 0 H GLU A 96 12.032 -3.174 -5.137 1.00 0.00 H new ATOM 0 HA GLU A 96 10.793 -2.330 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.435 -0.586 -2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.211 -2.052 -3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.606 -1.191 -5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.003 -0.491 -5.499 1.00 0.00 H new ATOM 1468 N ARG A 97 9.938 0.132 -3.458 1.00 0.00 N ATOM 1469 CA ARG A 97 8.983 1.171 -3.803 1.00 0.00 C ATOM 1470 C ARG A 97 9.584 2.120 -4.843 1.00 0.00 C ATOM 1471 O ARG A 97 10.803 2.206 -4.978 1.00 0.00 O ATOM 1472 CB ARG A 97 8.571 1.974 -2.568 1.00 0.00 C ATOM 1473 CG ARG A 97 8.433 1.065 -1.345 1.00 0.00 C ATOM 1474 CD ARG A 97 7.675 1.772 -0.219 1.00 0.00 C ATOM 1475 NE ARG A 97 8.436 1.671 1.046 1.00 0.00 N ATOM 1476 CZ ARG A 97 9.525 2.399 1.328 1.00 0.00 C ATOM 1477 NH1 ARG A 97 9.986 3.287 0.437 1.00 0.00 N ATOM 1478 NH2 ARG A 97 10.152 2.240 2.502 1.00 0.00 N ATOM 0 H ARG A 97 10.496 0.325 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 97 8.100 0.685 -4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.312 2.748 -2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.625 2.480 -2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.908 0.151 -1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.422 0.770 -0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.519 2.820 -0.476 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.689 1.324 -0.096 1.00 0.00 H new ATOM 0 HE ARG A 97 8.111 1.005 1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.508 3.409 -0.456 1.00 0.00 H new ATOM 0 HH12 ARG A 97 10.815 3.841 0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.800 1.565 3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.981 2.794 2.717 1.00 0.00 H new ATOM 1492 N THR A 98 8.700 2.808 -5.550 1.00 0.00 N ATOM 1493 CA THR A 98 9.128 3.746 -6.573 1.00 0.00 C ATOM 1494 C THR A 98 9.630 5.042 -5.932 1.00 0.00 C ATOM 1495 O THR A 98 9.867 5.090 -4.726 1.00 0.00 O ATOM 1496 CB THR A 98 7.960 3.959 -7.538 1.00 0.00 C ATOM 1497 OG1 THR A 98 6.844 4.202 -6.685 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.582 2.682 -8.291 1.00 0.00 C ATOM 0 H THR A 98 7.689 2.734 -5.434 1.00 0.00 H new ATOM 0 HA THR A 98 9.971 3.353 -7.142 1.00 0.00 H new ATOM 0 HB THR A 98 8.219 4.739 -8.254 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.424 3.350 -6.446 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.748 2.889 -8.962 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.437 2.335 -8.871 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.291 1.911 -7.577 1.00 0.00 H new ATOM 1506 N ILE A 99 9.777 6.060 -6.767 1.00 0.00 N ATOM 1507 CA ILE A 99 10.246 7.352 -6.297 1.00 0.00 C ATOM 1508 C ILE A 99 9.055 8.170 -5.792 1.00 0.00 C ATOM 1509 O ILE A 99 7.991 8.167 -6.409 1.00 0.00 O ATOM 1510 CB ILE A 99 11.059 8.056 -7.385 1.00 0.00 C ATOM 1511 CG1 ILE A 99 12.297 7.239 -7.759 1.00 0.00 C ATOM 1512 CG2 ILE A 99 11.418 9.482 -6.966 1.00 0.00 C ATOM 1513 CD1 ILE A 99 12.258 6.826 -9.232 1.00 0.00 C ATOM 0 H ILE A 99 9.579 6.016 -7.767 1.00 0.00 H new ATOM 0 HA ILE A 99 10.927 7.226 -5.455 1.00 0.00 H new ATOM 0 HB ILE A 99 10.440 8.130 -8.279 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.196 7.825 -7.566 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.354 6.351 -7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.996 9.959 -7.758 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.505 10.050 -6.790 1.00 0.00 H new ATOM 0 HG23 ILE A 99 12.010 9.454 -6.051 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.150 6.247 -9.471 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.371 6.220 -9.417 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.225 7.717 -9.859 1.00 0.00 H new ATOM 1525 N ARG A 100 9.275 8.850 -4.677 1.00 0.00 N ATOM 1526 CA ARG A 100 8.233 9.671 -4.083 1.00 0.00 C ATOM 1527 C ARG A 100 8.457 11.144 -4.429 1.00 0.00 C ATOM 1528 O ARG A 100 9.584 11.634 -4.379 1.00 0.00 O ATOM 1529 CB ARG A 100 8.206 9.510 -2.562 1.00 0.00 C ATOM 1530 CG ARG A 100 9.462 10.106 -1.925 1.00 0.00 C ATOM 1531 CD ARG A 100 9.159 11.456 -1.273 1.00 0.00 C ATOM 1532 NE ARG A 100 9.067 11.301 0.196 1.00 0.00 N ATOM 1533 CZ ARG A 100 8.481 12.188 1.010 1.00 0.00 C ATOM 1534 NH1 ARG A 100 7.931 13.300 0.504 1.00 0.00 N ATOM 1535 NH2 ARG A 100 8.445 11.964 2.331 1.00 0.00 N ATOM 0 H ARG A 100 10.159 8.850 -4.169 1.00 0.00 H new ATOM 0 HA ARG A 100 7.277 9.340 -4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 100 7.321 10.000 -2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 100 8.131 8.453 -2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 100 9.856 9.418 -1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.235 10.230 -2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 100 9.941 12.173 -1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.223 11.856 -1.664 1.00 0.00 H new ATOM 0 HE ARG A 100 9.476 10.466 0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.959 13.471 -0.501 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.485 13.976 1.124 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.864 11.118 2.716 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.999 12.640 2.951 1.00 0.00 H new ATOM 1549 N GLY A 101 7.364 11.810 -4.773 1.00 0.00 N ATOM 1550 CA GLY A 101 7.426 13.218 -5.128 1.00 0.00 C ATOM 1551 C GLY A 101 6.414 13.552 -6.225 1.00 0.00 C ATOM 1552 O GLY A 101 5.662 12.685 -6.666 1.00 0.00 O ATOM 0 H GLY A 101 6.431 11.401 -4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.227 13.828 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.431 13.467 -5.468 1.00 0.00 H new ATOM 1556 N SER A 102 6.427 14.813 -6.634 1.00 0.00 N ATOM 1557 CA SER A 102 5.520 15.272 -7.672 1.00 0.00 C ATOM 1558 C SER A 102 4.070 15.071 -7.226 1.00 0.00 C ATOM 1559 O SER A 102 3.618 13.938 -7.068 1.00 0.00 O ATOM 1560 CB SER A 102 5.776 14.541 -8.991 1.00 0.00 C ATOM 1561 OG SER A 102 6.767 15.195 -9.780 1.00 0.00 O ATOM 0 H SER A 102 7.051 15.530 -6.265 1.00 0.00 H new ATOM 0 HA SER A 102 5.699 16.334 -7.837 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.094 13.519 -8.784 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.846 14.477 -9.556 1.00 0.00 H new ATOM 0 HG SER A 102 6.903 14.697 -10.613 1.00 0.00 H new ATOM 1567 N GLY A 103 3.382 16.187 -7.036 1.00 0.00 N ATOM 1568 CA GLY A 103 1.993 16.147 -6.611 1.00 0.00 C ATOM 1569 C GLY A 103 1.112 16.984 -7.540 1.00 0.00 C ATOM 1570 O GLY A 103 1.447 17.185 -8.706 1.00 0.00 O ATOM 0 H GLY A 103 3.761 17.125 -7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.641 15.115 -6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 103 1.910 16.521 -5.591 1.00 0.00 H new ATOM 1574 N PRO A 104 -0.028 17.463 -6.973 1.00 0.00 N ATOM 1575 CA PRO A 104 -0.961 18.274 -7.738 1.00 0.00 C ATOM 1576 C PRO A 104 -0.421 19.692 -7.933 1.00 0.00 C ATOM 1577 O PRO A 104 0.662 20.020 -7.450 1.00 0.00 O ATOM 1578 CB PRO A 104 -2.257 18.235 -6.945 1.00 0.00 C ATOM 1579 CG PRO A 104 -1.875 17.794 -5.541 1.00 0.00 C ATOM 1580 CD PRO A 104 -0.458 17.245 -5.595 1.00 0.00 C ATOM 0 HA PRO A 104 -1.117 17.897 -8.749 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -2.735 19.214 -6.930 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.968 17.540 -7.393 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -1.933 18.633 -4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -2.566 17.033 -5.179 1.00 0.00 H new ATOM 0 HD2 PRO A 104 0.194 17.762 -4.890 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -0.433 16.187 -5.335 1.00 0.00 H new ATOM 1588 N SER A 105 -1.201 20.496 -8.641 1.00 0.00 N ATOM 1589 CA SER A 105 -0.815 21.871 -8.906 1.00 0.00 C ATOM 1590 C SER A 105 -2.062 22.735 -9.108 1.00 0.00 C ATOM 1591 O SER A 105 -2.647 22.743 -10.190 1.00 0.00 O ATOM 1592 CB SER A 105 0.097 21.961 -10.131 1.00 0.00 C ATOM 1593 OG SER A 105 -0.418 21.223 -11.235 1.00 0.00 O ATOM 0 H SER A 105 -2.099 20.221 -9.039 1.00 0.00 H new ATOM 0 HA SER A 105 -0.259 22.242 -8.045 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.217 23.006 -10.418 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.087 21.585 -9.874 1.00 0.00 H new ATOM 0 HG SER A 105 -1.375 21.408 -11.334 1.00 0.00 H new ATOM 1599 N SER A 106 -2.432 23.440 -8.049 1.00 0.00 N ATOM 1600 CA SER A 106 -3.598 24.305 -8.096 1.00 0.00 C ATOM 1601 C SER A 106 -3.165 25.758 -8.306 1.00 0.00 C ATOM 1602 O SER A 106 -2.265 26.245 -7.623 1.00 0.00 O ATOM 1603 CB SER A 106 -4.430 24.179 -6.819 1.00 0.00 C ATOM 1604 OG SER A 106 -4.698 22.818 -6.489 1.00 0.00 O ATOM 0 H SER A 106 -1.945 23.430 -7.153 1.00 0.00 H new ATOM 0 HA SER A 106 -4.220 23.993 -8.935 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.901 24.655 -5.993 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.371 24.714 -6.945 1.00 0.00 H new ATOM 0 HG SER A 106 -5.230 22.779 -5.667 1.00 0.00 H new ATOM 1610 N GLY A 107 -3.824 26.408 -9.252 1.00 0.00 N ATOM 1611 CA GLY A 107 -3.519 27.795 -9.560 1.00 0.00 C ATOM 1612 C GLY A 107 -3.675 28.072 -11.057 1.00 0.00 C ATOM 1613 O GLY A 107 -4.628 28.728 -11.474 1.00 0.00 O ATOM 0 H GLY A 107 -4.569 26.000 -9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -4.181 28.451 -8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -2.500 28.025 -9.248 1.00 0.00 H new TER 1617 GLY A 107