USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 981 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 88 LYS NZ :NH3+ -165:sc= 0.499 (180deg=0) USER MOD Set 1.2: A 93 TYR OH : rot 110:sc= 0.478 USER MOD Set 2.1: A 52 SER OG : rot 159:sc= 0.846 USER MOD Set 2.2: A 55 THR OG1 : rot 112:sc= 1.03 USER MOD Set 2.3: A 57 THR OG1 : rot 180:sc= 1.89 USER MOD Set 3.1: A 12 HIS : no HD1:sc= -0.447 K(o=-0.13,f=-2.8!) USER MOD Set 3.2: A 16 THR OG1 : rot -120:sc= 0.322 USER MOD Set 4.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 150:sc= 0.458 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -152:sc= -0.251 (180deg=-1.33) USER MOD Single : A 33 TYR OH : rot 29:sc= 0.72 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 30:sc= 0.729 USER MOD Single : A 39 THR OG1 : rot 71:sc= 1.33 USER MOD Single : A 45 MET CE :methyl -169:sc= -0.129 (180deg=-0.281) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= 1.24 (180deg=0.676) USER MOD Single : A 49 LYS NZ :NH3+ 159:sc= 1.24 (180deg=1.02) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 146:sc= 1.74 (180deg=0.801) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 167:sc= 0.185 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 156:sc= -0.112 (180deg=-0.767) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 142:sc= 1.24 (180deg=0.64) USER MOD Single : A 98 SER OG : rot 180:sc= 0.88 USER MOD Single : A 109 THR OG1 : rot 74:sc= 1.43 USER MOD Single : A 110 GLN : amide:sc= 0.215 X(o=0.22,f=-0.21) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.194 -15.119 -4.279 1.00 0.00 N ATOM 2 CA MET A 1 11.907 -13.825 -4.406 1.00 0.00 C ATOM 3 C MET A 1 10.912 -12.711 -4.749 1.00 0.00 C ATOM 4 O MET A 1 10.229 -12.788 -5.773 1.00 0.00 O ATOM 5 CB MET A 1 13.041 -13.917 -5.450 1.00 0.00 C ATOM 6 CG MET A 1 13.876 -12.633 -5.559 1.00 0.00 C ATOM 7 SD MET A 1 14.676 -12.110 -4.017 1.00 0.00 S ATOM 8 CE MET A 1 15.622 -10.692 -4.634 1.00 0.00 C ATOM 0 H1 MET A 1 11.875 -15.869 -4.046 1.00 0.00 H new ATOM 0 H2 MET A 1 10.483 -15.051 -3.523 1.00 0.00 H new ATOM 0 H3 MET A 1 10.723 -15.346 -5.178 1.00 0.00 H new ATOM 0 HA MET A 1 12.372 -13.584 -3.450 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.697 -14.747 -5.190 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.610 -14.145 -6.425 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.644 -12.780 -6.318 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.232 -11.826 -5.909 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.181 -10.243 -3.813 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.316 -11.025 -5.406 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.939 -9.954 -5.055 1.00 0.00 H new ATOM 20 N ALA A 2 10.839 -11.665 -3.916 1.00 0.00 N ATOM 21 CA ALA A 2 9.988 -10.490 -4.119 1.00 0.00 C ATOM 22 C ALA A 2 10.774 -9.181 -3.937 1.00 0.00 C ATOM 23 O ALA A 2 10.172 -8.106 -3.935 1.00 0.00 O ATOM 24 CB ALA A 2 8.776 -10.569 -3.182 1.00 0.00 C ATOM 0 H ALA A 2 11.387 -11.613 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 2 9.630 -10.487 -5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.142 -9.695 -3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.206 -11.472 -3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.117 -10.596 -2.147 1.00 0.00 H new ATOM 30 N SER A 3 12.100 -9.260 -3.777 1.00 0.00 N ATOM 31 CA SER A 3 12.978 -8.135 -3.460 1.00 0.00 C ATOM 32 C SER A 3 12.560 -7.430 -2.156 1.00 0.00 C ATOM 33 O SER A 3 12.828 -6.241 -1.974 1.00 0.00 O ATOM 34 CB SER A 3 13.099 -7.190 -4.669 1.00 0.00 C ATOM 35 OG SER A 3 13.398 -7.910 -5.859 1.00 0.00 O ATOM 0 H SER A 3 12.606 -10.141 -3.869 1.00 0.00 H new ATOM 0 HA SER A 3 13.980 -8.517 -3.263 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.167 -6.640 -4.798 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.880 -6.453 -4.481 1.00 0.00 H new ATOM 0 HG SER A 3 13.467 -7.285 -6.611 1.00 0.00 H new ATOM 41 N VAL A 4 11.900 -8.157 -1.245 1.00 0.00 N ATOM 42 CA VAL A 4 11.440 -7.640 0.045 1.00 0.00 C ATOM 43 C VAL A 4 11.538 -8.746 1.118 1.00 0.00 C ATOM 44 O VAL A 4 10.875 -8.708 2.150 1.00 0.00 O ATOM 45 CB VAL A 4 10.065 -6.947 -0.161 1.00 0.00 C ATOM 46 CG1 VAL A 4 8.905 -7.907 -0.457 1.00 0.00 C ATOM 47 CG2 VAL A 4 9.682 -6.007 0.985 1.00 0.00 C ATOM 0 H VAL A 4 11.668 -9.140 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 4 12.080 -6.854 0.447 1.00 0.00 H new ATOM 0 HB VAL A 4 10.223 -6.350 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.985 -7.337 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.118 -8.465 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.787 -8.602 0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.711 -5.557 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.628 -6.571 1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.433 -5.223 1.079 1.00 0.00 H new ATOM 57 N GLU A 5 12.387 -9.750 0.876 1.00 0.00 N ATOM 58 CA GLU A 5 12.695 -10.881 1.752 1.00 0.00 C ATOM 59 C GLU A 5 13.063 -10.431 3.176 1.00 0.00 C ATOM 60 O GLU A 5 12.677 -11.084 4.146 1.00 0.00 O ATOM 61 CB GLU A 5 13.847 -11.679 1.106 1.00 0.00 C ATOM 62 CG GLU A 5 13.431 -12.688 0.015 1.00 0.00 C ATOM 63 CD GLU A 5 12.484 -12.162 -1.073 1.00 0.00 C ATOM 64 OE1 GLU A 5 12.624 -11.026 -1.571 1.00 0.00 O ATOM 65 OE2 GLU A 5 11.512 -12.876 -1.405 1.00 0.00 O ATOM 0 H GLU A 5 12.912 -9.795 0.003 1.00 0.00 H new ATOM 0 HA GLU A 5 11.809 -11.507 1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.555 -10.973 0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.376 -12.218 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 5 14.334 -13.061 -0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.955 -13.540 0.501 1.00 0.00 H new ATOM 72 N ARG A 6 13.764 -9.297 3.320 1.00 0.00 N ATOM 73 CA ARG A 6 14.134 -8.713 4.599 1.00 0.00 C ATOM 74 C ARG A 6 12.934 -8.407 5.497 1.00 0.00 C ATOM 75 O ARG A 6 13.114 -8.329 6.709 1.00 0.00 O ATOM 76 CB ARG A 6 14.965 -7.442 4.311 1.00 0.00 C ATOM 77 CG ARG A 6 15.474 -6.695 5.553 1.00 0.00 C ATOM 78 CD ARG A 6 16.266 -7.629 6.473 1.00 0.00 C ATOM 79 NE ARG A 6 16.641 -6.973 7.741 1.00 0.00 N ATOM 80 CZ ARG A 6 15.840 -6.793 8.804 1.00 0.00 C ATOM 81 NH1 ARG A 6 14.580 -7.215 8.782 1.00 0.00 N ATOM 82 NH2 ARG A 6 16.307 -6.183 9.888 1.00 0.00 N ATOM 0 H ARG A 6 14.094 -8.753 2.523 1.00 0.00 H new ATOM 0 HA ARG A 6 14.721 -9.440 5.160 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.822 -7.720 3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.358 -6.757 3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 6 16.105 -5.861 5.246 1.00 0.00 H new ATOM 0 HG3 ARG A 6 14.630 -6.272 6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.671 -8.517 6.687 1.00 0.00 H new ATOM 0 HD3 ARG A 6 17.167 -7.965 5.959 1.00 0.00 H new ATOM 0 HE ARG A 6 17.597 -6.624 7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 6 14.213 -7.681 7.952 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.980 -7.073 9.595 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.272 -5.853 9.912 1.00 0.00 H new ATOM 0 HH22 ARG A 6 15.701 -6.045 10.697 1.00 0.00 H new ATOM 96 N ASP A 7 11.733 -8.223 4.954 1.00 0.00 N ATOM 97 CA ASP A 7 10.569 -7.725 5.692 1.00 0.00 C ATOM 98 C ASP A 7 10.005 -8.731 6.709 1.00 0.00 C ATOM 99 O ASP A 7 9.001 -8.458 7.364 1.00 0.00 O ATOM 100 CB ASP A 7 9.502 -7.299 4.680 1.00 0.00 C ATOM 101 CG ASP A 7 8.378 -6.459 5.304 1.00 0.00 C ATOM 102 OD1 ASP A 7 8.685 -5.379 5.858 1.00 0.00 O ATOM 103 OD2 ASP A 7 7.192 -6.828 5.149 1.00 0.00 O ATOM 0 H ASP A 7 11.535 -8.418 3.973 1.00 0.00 H new ATOM 0 HA ASP A 7 10.890 -6.873 6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.975 -6.726 3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.070 -8.188 4.221 1.00 0.00 H new ATOM 108 N GLU A 8 10.634 -9.899 6.868 1.00 0.00 N ATOM 109 CA GLU A 8 10.187 -10.966 7.758 1.00 0.00 C ATOM 110 C GLU A 8 9.984 -10.520 9.214 1.00 0.00 C ATOM 111 O GLU A 8 9.140 -11.082 9.913 1.00 0.00 O ATOM 112 CB GLU A 8 11.132 -12.176 7.656 1.00 0.00 C ATOM 113 CG GLU A 8 12.567 -11.897 8.133 1.00 0.00 C ATOM 114 CD GLU A 8 13.436 -13.166 8.076 1.00 0.00 C ATOM 115 OE1 GLU A 8 13.406 -13.972 9.035 1.00 0.00 O ATOM 116 OE2 GLU A 8 14.176 -13.366 7.086 1.00 0.00 O ATOM 0 H GLU A 8 11.491 -10.131 6.366 1.00 0.00 H new ATOM 0 HA GLU A 8 9.195 -11.262 7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.719 -12.996 8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.164 -12.511 6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.014 -11.120 7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.545 -11.515 9.154 1.00 0.00 H new ATOM 123 N THR A 9 10.697 -9.488 9.672 1.00 0.00 N ATOM 124 CA THR A 9 10.496 -8.874 10.975 1.00 0.00 C ATOM 125 C THR A 9 9.081 -8.307 11.118 1.00 0.00 C ATOM 126 O THR A 9 8.440 -8.484 12.161 1.00 0.00 O ATOM 127 CB THR A 9 11.557 -7.771 11.144 1.00 0.00 C ATOM 128 OG1 THR A 9 11.958 -7.191 9.910 1.00 0.00 O ATOM 129 CG2 THR A 9 12.833 -8.326 11.781 1.00 0.00 C ATOM 0 H THR A 9 11.444 -9.051 9.132 1.00 0.00 H new ATOM 0 HA THR A 9 10.606 -9.625 11.758 1.00 0.00 H new ATOM 0 HB THR A 9 11.079 -7.020 11.773 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.217 -6.257 10.056 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.564 -7.525 11.888 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.600 -8.738 12.763 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.245 -9.111 11.146 1.00 0.00 H new ATOM 137 N ARG A 10 8.580 -7.650 10.071 1.00 0.00 N ATOM 138 CA ARG A 10 7.194 -7.199 10.049 1.00 0.00 C ATOM 139 C ARG A 10 6.270 -8.378 9.829 1.00 0.00 C ATOM 140 O ARG A 10 5.239 -8.406 10.485 1.00 0.00 O ATOM 141 CB ARG A 10 6.927 -6.122 8.990 1.00 0.00 C ATOM 142 CG ARG A 10 7.444 -4.745 9.433 1.00 0.00 C ATOM 143 CD ARG A 10 6.942 -3.609 8.526 1.00 0.00 C ATOM 144 NE ARG A 10 5.473 -3.472 8.505 1.00 0.00 N ATOM 145 CZ ARG A 10 4.683 -2.980 9.466 1.00 0.00 C ATOM 146 NH1 ARG A 10 5.187 -2.557 10.624 1.00 0.00 N ATOM 147 NH2 ARG A 10 3.375 -2.903 9.260 1.00 0.00 N ATOM 0 H ARG A 10 9.113 -7.421 9.232 1.00 0.00 H new ATOM 0 HA ARG A 10 6.997 -6.743 11.019 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.407 -6.406 8.054 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.856 -6.062 8.794 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.127 -4.554 10.458 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.534 -4.752 9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.381 -2.669 8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.296 -3.784 7.510 1.00 0.00 H new ATOM 0 HE ARG A 10 5.004 -3.790 7.657 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.192 -2.605 10.791 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.568 -2.185 11.344 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.979 -3.218 8.374 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.765 -2.529 9.987 1.00 0.00 H new ATOM 161 N GLU A 11 6.604 -9.354 8.980 1.00 0.00 N ATOM 162 CA GLU A 11 5.715 -10.497 8.757 1.00 0.00 C ATOM 163 C GLU A 11 5.420 -11.217 10.078 1.00 0.00 C ATOM 164 O GLU A 11 4.262 -11.538 10.346 1.00 0.00 O ATOM 165 CB GLU A 11 6.275 -11.488 7.728 1.00 0.00 C ATOM 166 CG GLU A 11 6.391 -10.896 6.317 1.00 0.00 C ATOM 167 CD GLU A 11 6.796 -11.976 5.297 1.00 0.00 C ATOM 168 OE1 GLU A 11 5.906 -12.694 4.787 1.00 0.00 O ATOM 169 OE2 GLU A 11 8.002 -12.113 4.998 1.00 0.00 O ATOM 0 H GLU A 11 7.471 -9.377 8.443 1.00 0.00 H new ATOM 0 HA GLU A 11 4.787 -10.098 8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.259 -11.824 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.632 -12.368 7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.439 -10.454 6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.129 -10.094 6.315 1.00 0.00 H new ATOM 176 N HIS A 12 6.434 -11.408 10.932 1.00 0.00 N ATOM 177 CA HIS A 12 6.244 -11.968 12.265 1.00 0.00 C ATOM 178 C HIS A 12 5.302 -11.082 13.077 1.00 0.00 C ATOM 179 O HIS A 12 4.343 -11.592 13.651 1.00 0.00 O ATOM 180 CB HIS A 12 7.598 -12.119 12.978 1.00 0.00 C ATOM 181 CG HIS A 12 7.549 -12.696 14.383 1.00 0.00 C ATOM 182 ND1 HIS A 12 6.506 -12.660 15.294 1.00 0.00 N ATOM 183 CD2 HIS A 12 8.600 -13.307 15.016 1.00 0.00 C ATOM 184 CE1 HIS A 12 6.926 -13.228 16.435 1.00 0.00 C ATOM 185 NE2 HIS A 12 8.200 -13.645 16.317 1.00 0.00 N ATOM 0 H HIS A 12 7.403 -11.178 10.714 1.00 0.00 H new ATOM 0 HA HIS A 12 5.794 -12.957 12.172 1.00 0.00 H new ATOM 0 HB2 HIS A 12 8.239 -12.755 12.367 1.00 0.00 H new ATOM 0 HB3 HIS A 12 8.073 -11.139 13.025 1.00 0.00 H new ATOM 0 HD2 HIS A 12 9.572 -13.496 14.585 1.00 0.00 H new ATOM 0 HE1 HIS A 12 6.324 -13.336 17.325 1.00 0.00 H new ATOM 0 HE2 HIS A 12 8.761 -14.112 17.029 1.00 0.00 H new ATOM 193 N ARG A 13 5.573 -9.776 13.162 1.00 0.00 N ATOM 194 CA ARG A 13 4.793 -8.874 14.014 1.00 0.00 C ATOM 195 C ARG A 13 3.336 -8.825 13.559 1.00 0.00 C ATOM 196 O ARG A 13 2.434 -8.889 14.389 1.00 0.00 O ATOM 197 CB ARG A 13 5.436 -7.481 14.015 1.00 0.00 C ATOM 198 CG ARG A 13 6.757 -7.494 14.801 1.00 0.00 C ATOM 199 CD ARG A 13 7.569 -6.224 14.527 1.00 0.00 C ATOM 200 NE ARG A 13 8.748 -6.115 15.406 1.00 0.00 N ATOM 201 CZ ARG A 13 9.844 -6.887 15.395 1.00 0.00 C ATOM 202 NH1 ARG A 13 9.976 -7.883 14.519 1.00 0.00 N ATOM 203 NH2 ARG A 13 10.813 -6.659 16.275 1.00 0.00 N ATOM 0 H ARG A 13 6.328 -9.320 12.650 1.00 0.00 H new ATOM 0 HA ARG A 13 4.796 -9.252 15.036 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.620 -7.159 12.990 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.750 -6.759 14.458 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.549 -7.574 15.868 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.341 -8.371 14.523 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.893 -6.219 13.486 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.932 -5.351 14.667 1.00 0.00 H new ATOM 0 HE ARG A 13 8.727 -5.368 16.100 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.236 -8.068 13.842 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.817 -8.460 14.526 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.719 -5.902 16.952 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.650 -7.241 16.274 1.00 0.00 H new ATOM 217 N ILE A 14 3.105 -8.755 12.249 1.00 0.00 N ATOM 218 CA ILE A 14 1.788 -8.816 11.637 1.00 0.00 C ATOM 219 C ILE A 14 1.114 -10.116 12.087 1.00 0.00 C ATOM 220 O ILE A 14 0.000 -10.077 12.612 1.00 0.00 O ATOM 221 CB ILE A 14 1.948 -8.683 10.099 1.00 0.00 C ATOM 222 CG1 ILE A 14 2.350 -7.237 9.707 1.00 0.00 C ATOM 223 CG2 ILE A 14 0.676 -9.108 9.347 1.00 0.00 C ATOM 224 CD1 ILE A 14 2.997 -7.123 8.320 1.00 0.00 C ATOM 0 H ILE A 14 3.856 -8.651 11.567 1.00 0.00 H new ATOM 0 HA ILE A 14 1.141 -7.997 11.951 1.00 0.00 H new ATOM 0 HB ILE A 14 2.747 -9.362 9.802 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.463 -6.604 9.736 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.043 -6.849 10.453 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.834 -8.998 8.274 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.449 -10.149 9.576 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.158 -8.478 9.657 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.249 -6.081 8.121 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.903 -7.728 8.291 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.299 -7.479 7.562 1.00 0.00 H new ATOM 236 N GLU A 15 1.789 -11.256 11.920 1.00 0.00 N ATOM 237 CA GLU A 15 1.239 -12.560 12.251 1.00 0.00 C ATOM 238 C GLU A 15 0.814 -12.638 13.720 1.00 0.00 C ATOM 239 O GLU A 15 -0.303 -13.072 13.990 1.00 0.00 O ATOM 240 CB GLU A 15 2.239 -13.663 11.867 1.00 0.00 C ATOM 241 CG GLU A 15 1.694 -15.067 12.158 1.00 0.00 C ATOM 242 CD GLU A 15 2.643 -16.160 11.635 1.00 0.00 C ATOM 243 OE1 GLU A 15 3.548 -16.597 12.382 1.00 0.00 O ATOM 244 OE2 GLU A 15 2.479 -16.614 10.480 1.00 0.00 O ATOM 0 H GLU A 15 2.738 -11.294 11.548 1.00 0.00 H new ATOM 0 HA GLU A 15 0.331 -12.716 11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.478 -13.581 10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.169 -13.515 12.416 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.554 -15.189 13.232 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.714 -15.182 11.694 1.00 0.00 H new ATOM 251 N THR A 16 1.656 -12.214 14.665 1.00 0.00 N ATOM 252 CA THR A 16 1.381 -12.418 16.084 1.00 0.00 C ATOM 253 C THR A 16 0.486 -11.321 16.688 1.00 0.00 C ATOM 254 O THR A 16 -0.171 -11.580 17.698 1.00 0.00 O ATOM 255 CB THR A 16 2.706 -12.627 16.847 1.00 0.00 C ATOM 256 OG1 THR A 16 3.700 -11.678 16.500 1.00 0.00 O ATOM 257 CG2 THR A 16 3.287 -14.009 16.519 1.00 0.00 C ATOM 0 H THR A 16 2.532 -11.728 14.471 1.00 0.00 H new ATOM 0 HA THR A 16 0.790 -13.328 16.192 1.00 0.00 H new ATOM 0 HB THR A 16 2.461 -12.521 17.904 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.482 -12.142 16.136 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.222 -14.149 17.061 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.577 -14.782 16.815 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.475 -14.080 15.448 1.00 0.00 H new ATOM 265 N GLU A 17 0.411 -10.130 16.077 1.00 0.00 N ATOM 266 CA GLU A 17 -0.248 -8.974 16.697 1.00 0.00 C ATOM 267 C GLU A 17 -1.448 -8.445 15.900 1.00 0.00 C ATOM 268 O GLU A 17 -2.247 -7.697 16.468 1.00 0.00 O ATOM 269 CB GLU A 17 0.762 -7.837 16.950 1.00 0.00 C ATOM 270 CG GLU A 17 2.004 -8.234 17.768 1.00 0.00 C ATOM 271 CD GLU A 17 1.671 -8.806 19.160 1.00 0.00 C ATOM 272 OE1 GLU A 17 0.890 -8.184 19.917 1.00 0.00 O ATOM 273 OE2 GLU A 17 2.232 -9.861 19.534 1.00 0.00 O ATOM 0 H GLU A 17 0.800 -9.943 15.153 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.642 -9.334 17.647 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.091 -7.444 15.988 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.250 -7.026 17.468 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.576 -8.974 17.208 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.644 -7.360 17.888 1.00 0.00 H new ATOM 280 N ILE A 18 -1.610 -8.810 14.619 1.00 0.00 N ATOM 281 CA ILE A 18 -2.602 -8.184 13.733 1.00 0.00 C ATOM 282 C ILE A 18 -3.555 -9.235 13.149 1.00 0.00 C ATOM 283 O ILE A 18 -4.762 -8.991 13.109 1.00 0.00 O ATOM 284 CB ILE A 18 -1.902 -7.317 12.649 1.00 0.00 C ATOM 285 CG1 ILE A 18 -0.878 -6.345 13.295 1.00 0.00 C ATOM 286 CG2 ILE A 18 -2.944 -6.536 11.823 1.00 0.00 C ATOM 287 CD1 ILE A 18 -0.181 -5.390 12.321 1.00 0.00 C ATOM 0 H ILE A 18 -1.060 -9.543 14.171 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.222 -7.504 14.317 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.361 -7.984 11.978 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.391 -5.754 14.054 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.118 -6.933 13.809 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.435 -5.935 11.070 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.619 -7.237 11.332 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.516 -5.883 12.482 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.513 -4.754 12.870 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.367 -5.966 11.575 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.926 -4.769 11.824 1.00 0.00 H new ATOM 299 N ILE A 19 -3.057 -10.413 12.753 1.00 0.00 N ATOM 300 CA ILE A 19 -3.857 -11.440 12.071 1.00 0.00 C ATOM 301 C ILE A 19 -3.824 -12.794 12.806 1.00 0.00 C ATOM 302 O ILE A 19 -4.156 -13.816 12.216 1.00 0.00 O ATOM 303 CB ILE A 19 -3.458 -11.530 10.587 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.972 -11.889 10.464 1.00 0.00 C ATOM 305 CG2 ILE A 19 -3.828 -10.234 9.836 1.00 0.00 C ATOM 306 CD1 ILE A 19 -1.595 -12.210 9.033 1.00 0.00 C ATOM 0 H ILE A 19 -2.084 -10.682 12.897 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.904 -11.138 12.100 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.024 -12.330 10.109 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.365 -11.058 10.824 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.750 -12.745 11.101 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.536 -10.324 8.790 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.904 -10.071 9.899 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.306 -9.390 10.288 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.535 -12.460 8.983 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.184 -13.057 8.683 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.794 -11.344 8.401 1.00 0.00 H new ATOM 318 N VAL A 20 -3.422 -12.825 14.078 1.00 0.00 N ATOM 319 CA VAL A 20 -3.177 -14.062 14.830 1.00 0.00 C ATOM 320 C VAL A 20 -4.369 -15.039 14.830 1.00 0.00 C ATOM 321 O VAL A 20 -4.167 -16.248 14.702 1.00 0.00 O ATOM 322 CB VAL A 20 -2.673 -13.697 16.245 1.00 0.00 C ATOM 323 CG1 VAL A 20 -3.744 -13.036 17.129 1.00 0.00 C ATOM 324 CG2 VAL A 20 -2.079 -14.910 16.972 1.00 0.00 C ATOM 0 H VAL A 20 -3.254 -11.980 14.625 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.397 -14.626 14.318 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.888 -12.959 16.080 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.319 -12.808 18.106 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.086 -12.114 16.658 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.587 -13.717 17.250 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.737 -14.609 17.962 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.840 -15.684 17.071 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.237 -15.300 16.400 1.00 0.00 H new ATOM 334 N ASP A 21 -5.606 -14.536 14.938 1.00 0.00 N ATOM 335 CA ASP A 21 -6.829 -15.357 14.976 1.00 0.00 C ATOM 336 C ASP A 21 -7.486 -15.474 13.584 1.00 0.00 C ATOM 337 O ASP A 21 -8.459 -16.221 13.372 1.00 0.00 O ATOM 338 CB ASP A 21 -7.800 -14.732 15.987 1.00 0.00 C ATOM 339 CG ASP A 21 -9.071 -15.576 16.186 1.00 0.00 C ATOM 340 OD1 ASP A 21 -8.968 -16.741 16.631 1.00 0.00 O ATOM 341 OD2 ASP A 21 -10.187 -15.056 15.958 1.00 0.00 O ATOM 0 H ASP A 21 -5.790 -13.535 15.002 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.569 -16.370 15.282 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.294 -14.612 16.945 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.080 -13.735 15.648 1.00 0.00 H new ATOM 346 N ALA A 22 -6.939 -14.706 12.633 1.00 0.00 N ATOM 347 CA ALA A 22 -7.424 -14.588 11.281 1.00 0.00 C ATOM 348 C ALA A 22 -6.694 -15.587 10.395 1.00 0.00 C ATOM 349 O ALA A 22 -5.466 -15.678 10.398 1.00 0.00 O ATOM 350 CB ALA A 22 -7.207 -13.169 10.746 1.00 0.00 C ATOM 0 H ALA A 22 -6.114 -14.133 12.807 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.494 -14.798 11.274 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.581 -13.104 9.724 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.743 -12.457 11.374 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.143 -12.934 10.758 1.00 0.00 H new ATOM 356 N GLU A 23 -7.464 -16.271 9.568 1.00 0.00 N ATOM 357 CA GLU A 23 -6.998 -17.128 8.475 1.00 0.00 C ATOM 358 C GLU A 23 -8.067 -17.396 7.419 1.00 0.00 C ATOM 359 O GLU A 23 -7.748 -17.744 6.281 1.00 0.00 O ATOM 360 CB GLU A 23 -6.392 -18.426 9.013 1.00 0.00 C ATOM 361 CG GLU A 23 -7.293 -19.648 9.246 1.00 0.00 C ATOM 362 CD GLU A 23 -8.179 -19.559 10.495 1.00 0.00 C ATOM 363 OE1 GLU A 23 -7.920 -18.757 11.418 1.00 0.00 O ATOM 364 OE2 GLU A 23 -9.186 -20.292 10.602 1.00 0.00 O ATOM 0 H GLU A 23 -8.481 -16.248 9.638 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.212 -16.574 7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.605 -18.729 8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.910 -18.191 9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.931 -19.784 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.666 -20.536 9.324 1.00 0.00 H new ATOM 371 N ASP A 24 -9.333 -17.219 7.790 1.00 0.00 N ATOM 372 CA ASP A 24 -10.453 -17.221 6.870 1.00 0.00 C ATOM 373 C ASP A 24 -10.308 -15.920 6.072 1.00 0.00 C ATOM 374 O ASP A 24 -9.865 -14.906 6.624 1.00 0.00 O ATOM 375 CB ASP A 24 -11.772 -17.275 7.665 1.00 0.00 C ATOM 376 CG ASP A 24 -11.919 -18.535 8.548 1.00 0.00 C ATOM 377 OD1 ASP A 24 -12.309 -19.595 8.006 1.00 0.00 O ATOM 378 OD2 ASP A 24 -11.678 -18.477 9.783 1.00 0.00 O ATOM 0 H ASP A 24 -9.608 -17.067 8.761 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.465 -18.083 6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.840 -16.390 8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.608 -17.233 6.967 1.00 0.00 H new ATOM 383 N LYS A 25 -10.654 -15.921 4.778 1.00 0.00 N ATOM 384 CA LYS A 25 -10.349 -14.794 3.878 1.00 0.00 C ATOM 385 C LYS A 25 -10.890 -13.483 4.418 1.00 0.00 C ATOM 386 O LYS A 25 -10.235 -12.446 4.319 1.00 0.00 O ATOM 387 CB LYS A 25 -10.967 -14.986 2.480 1.00 0.00 C ATOM 388 CG LYS A 25 -10.777 -16.355 1.842 1.00 0.00 C ATOM 389 CD LYS A 25 -9.298 -16.686 1.601 1.00 0.00 C ATOM 390 CE LYS A 25 -9.123 -18.102 1.038 1.00 0.00 C ATOM 391 NZ LYS A 25 -9.620 -18.246 -0.355 1.00 0.00 N ATOM 0 H LYS A 25 -11.147 -16.691 4.327 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.261 -14.766 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.036 -14.785 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.544 -14.235 1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.217 -17.117 2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.314 -16.389 0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.871 -15.962 0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.747 -16.595 2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.067 -18.370 1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.650 -18.808 1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.473 -19.224 -0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.635 -18.020 -0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.101 -17.595 -0.978 1.00 0.00 H new ATOM 405 N GLU A 26 -12.097 -13.554 4.976 1.00 0.00 N ATOM 406 CA GLU A 26 -12.810 -12.388 5.441 1.00 0.00 C ATOM 407 C GLU A 26 -12.060 -11.798 6.636 1.00 0.00 C ATOM 408 O GLU A 26 -11.917 -10.583 6.740 1.00 0.00 O ATOM 409 CB GLU A 26 -14.249 -12.770 5.824 1.00 0.00 C ATOM 410 CG GLU A 26 -15.071 -13.263 4.623 1.00 0.00 C ATOM 411 CD GLU A 26 -16.476 -13.723 5.053 1.00 0.00 C ATOM 412 OE1 GLU A 26 -17.377 -12.874 5.235 1.00 0.00 O ATOM 413 OE2 GLU A 26 -16.700 -14.946 5.200 1.00 0.00 O ATOM 0 H GLU A 26 -12.601 -14.430 5.114 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.864 -11.640 4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.223 -13.549 6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.744 -11.906 6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.158 -12.464 3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.549 -14.088 4.137 1.00 0.00 H new ATOM 420 N GLU A 27 -11.528 -12.649 7.522 1.00 0.00 N ATOM 421 CA GLU A 27 -10.807 -12.213 8.706 1.00 0.00 C ATOM 422 C GLU A 27 -9.460 -11.632 8.313 1.00 0.00 C ATOM 423 O GLU A 27 -9.079 -10.590 8.836 1.00 0.00 O ATOM 424 CB GLU A 27 -10.527 -13.390 9.636 1.00 0.00 C ATOM 425 CG GLU A 27 -11.763 -14.156 10.097 1.00 0.00 C ATOM 426 CD GLU A 27 -11.334 -15.391 10.891 1.00 0.00 C ATOM 427 OE1 GLU A 27 -10.315 -16.041 10.545 1.00 0.00 O ATOM 428 OE2 GLU A 27 -12.005 -15.736 11.891 1.00 0.00 O ATOM 0 H GLU A 27 -11.590 -13.663 7.430 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.427 -11.469 9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.857 -14.083 9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.998 -13.021 10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.392 -13.514 10.714 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.361 -14.454 9.236 1.00 0.00 H new ATOM 435 N ARG A 28 -8.727 -12.293 7.406 1.00 0.00 N ATOM 436 CA ARG A 28 -7.442 -11.772 6.936 1.00 0.00 C ATOM 437 C ARG A 28 -7.641 -10.387 6.339 1.00 0.00 C ATOM 438 O ARG A 28 -6.930 -9.458 6.726 1.00 0.00 O ATOM 439 CB ARG A 28 -6.811 -12.726 5.908 1.00 0.00 C ATOM 440 CG ARG A 28 -6.155 -13.952 6.556 1.00 0.00 C ATOM 441 CD ARG A 28 -4.800 -13.594 7.186 1.00 0.00 C ATOM 442 NE ARG A 28 -4.330 -14.656 8.087 1.00 0.00 N ATOM 443 CZ ARG A 28 -3.445 -15.627 7.844 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.823 -15.719 6.673 1.00 0.00 N ATOM 445 NH2 ARG A 28 -3.213 -16.508 8.808 1.00 0.00 N ATOM 0 H ARG A 28 -9.002 -13.182 6.988 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.758 -11.697 7.782 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.578 -13.058 5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.064 -12.184 5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.817 -14.360 7.320 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.015 -14.731 5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.063 -13.430 6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.890 -12.659 7.739 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.734 -14.651 9.024 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.018 -15.040 5.937 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.151 -16.469 6.510 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.704 -16.430 9.699 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.544 -17.263 8.659 1.00 0.00 H new ATOM 459 N ALA A 29 -8.630 -10.236 5.455 1.00 0.00 N ATOM 460 CA ALA A 29 -8.956 -8.950 4.871 1.00 0.00 C ATOM 461 C ALA A 29 -9.276 -7.923 5.961 1.00 0.00 C ATOM 462 O ALA A 29 -8.763 -6.807 5.913 1.00 0.00 O ATOM 463 CB ALA A 29 -10.129 -9.126 3.908 1.00 0.00 C ATOM 0 H ALA A 29 -9.220 -11.002 5.131 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.097 -8.571 4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.382 -8.164 3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.852 -9.828 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.991 -9.512 4.452 1.00 0.00 H new ATOM 469 N MET A 30 -10.089 -8.285 6.958 1.00 0.00 N ATOM 470 CA MET A 30 -10.483 -7.360 8.014 1.00 0.00 C ATOM 471 C MET A 30 -9.328 -6.988 8.944 1.00 0.00 C ATOM 472 O MET A 30 -9.221 -5.821 9.312 1.00 0.00 O ATOM 473 CB MET A 30 -11.690 -7.900 8.788 1.00 0.00 C ATOM 474 CG MET A 30 -12.987 -7.769 7.975 1.00 0.00 C ATOM 475 SD MET A 30 -13.446 -6.067 7.535 1.00 0.00 S ATOM 476 CE MET A 30 -12.862 -5.949 5.817 1.00 0.00 C ATOM 0 H MET A 30 -10.487 -9.219 7.052 1.00 0.00 H new ATOM 0 HA MET A 30 -10.780 -6.431 7.528 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.522 -8.947 9.041 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.793 -7.358 9.728 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.884 -8.350 7.059 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.803 -8.214 8.545 1.00 0.00 H new ATOM 0 HE1 MET A 30 -12.613 -4.913 5.588 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.977 -6.572 5.690 1.00 0.00 H new ATOM 0 HE3 MET A 30 -13.646 -6.291 5.142 1.00 0.00 H new ATOM 486 N GLY A 31 -8.435 -7.919 9.288 1.00 0.00 N ATOM 487 CA GLY A 31 -7.274 -7.631 10.121 1.00 0.00 C ATOM 488 C GLY A 31 -6.398 -6.574 9.453 1.00 0.00 C ATOM 489 O GLY A 31 -6.052 -5.568 10.078 1.00 0.00 O ATOM 0 H GLY A 31 -8.500 -8.894 8.994 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.598 -7.280 11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.698 -8.542 10.283 1.00 0.00 H new ATOM 493 N TRP A 32 -6.112 -6.759 8.158 1.00 0.00 N ATOM 494 CA TRP A 32 -5.419 -5.748 7.368 1.00 0.00 C ATOM 495 C TRP A 32 -6.210 -4.440 7.321 1.00 0.00 C ATOM 496 O TRP A 32 -5.630 -3.386 7.567 1.00 0.00 O ATOM 497 CB TRP A 32 -5.129 -6.269 5.955 1.00 0.00 C ATOM 498 CG TRP A 32 -3.893 -7.107 5.865 1.00 0.00 C ATOM 499 CD1 TRP A 32 -3.835 -8.455 5.836 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.508 -6.653 5.812 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.518 -8.867 5.784 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.651 -7.793 5.796 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.893 -5.385 5.780 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.253 -7.671 5.783 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -0.494 -5.251 5.739 1.00 0.00 C ATOM 506 CH2 TRP A 32 0.326 -6.391 5.742 1.00 0.00 C ATOM 0 H TRP A 32 -6.353 -7.604 7.639 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.467 -5.537 7.854 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.981 -6.856 5.612 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.032 -5.421 5.277 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.691 -9.113 5.851 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.223 -9.842 5.742 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.509 -4.498 5.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.372 -8.552 5.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.048 -4.268 5.705 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.400 -6.284 5.713 1.00 0.00 H new ATOM 517 N TYR A 33 -7.514 -4.490 7.043 1.00 0.00 N ATOM 518 CA TYR A 33 -8.343 -3.308 6.852 1.00 0.00 C ATOM 519 C TYR A 33 -8.355 -2.430 8.104 1.00 0.00 C ATOM 520 O TYR A 33 -8.165 -1.217 8.001 1.00 0.00 O ATOM 521 CB TYR A 33 -9.761 -3.757 6.475 1.00 0.00 C ATOM 522 CG TYR A 33 -10.789 -2.650 6.431 1.00 0.00 C ATOM 523 CD1 TYR A 33 -10.687 -1.633 5.471 1.00 0.00 C ATOM 524 CD2 TYR A 33 -11.839 -2.630 7.364 1.00 0.00 C ATOM 525 CE1 TYR A 33 -11.637 -0.600 5.437 1.00 0.00 C ATOM 526 CE2 TYR A 33 -12.773 -1.582 7.361 1.00 0.00 C ATOM 527 CZ TYR A 33 -12.695 -0.573 6.373 1.00 0.00 C ATOM 528 OH TYR A 33 -13.646 0.400 6.312 1.00 0.00 O ATOM 0 H TYR A 33 -8.027 -5.366 6.944 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.928 -2.702 6.047 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.726 -4.239 5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.090 -4.510 7.191 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.877 -1.644 4.757 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.928 -3.426 8.088 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.559 0.178 4.692 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.549 -1.546 8.111 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.751 0.697 5.384 1.00 0.00 H new ATOM 538 N TYR A 34 -8.543 -3.027 9.284 1.00 0.00 N ATOM 539 CA TYR A 34 -8.627 -2.285 10.534 1.00 0.00 C ATOM 540 C TYR A 34 -7.291 -1.614 10.847 1.00 0.00 C ATOM 541 O TYR A 34 -7.268 -0.446 11.233 1.00 0.00 O ATOM 542 CB TYR A 34 -9.028 -3.228 11.680 1.00 0.00 C ATOM 543 CG TYR A 34 -10.361 -3.959 11.566 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.407 -3.493 10.740 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.554 -5.127 12.330 1.00 0.00 C ATOM 546 CE1 TYR A 34 -12.637 -4.176 10.698 1.00 0.00 C ATOM 547 CE2 TYR A 34 -11.779 -5.817 12.292 1.00 0.00 C ATOM 548 CZ TYR A 34 -12.831 -5.339 11.477 1.00 0.00 C ATOM 549 OH TYR A 34 -14.028 -5.989 11.432 1.00 0.00 O ATOM 0 H TYR A 34 -8.640 -4.036 9.394 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.387 -1.511 10.430 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.243 -3.977 11.787 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.042 -2.647 12.602 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.263 -2.608 10.138 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.752 -5.497 12.952 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.435 -3.810 10.069 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.916 -6.710 12.884 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.999 -6.770 12.024 1.00 0.00 H new ATOM 559 N TYR A 35 -6.177 -2.330 10.668 1.00 0.00 N ATOM 560 CA TYR A 35 -4.850 -1.788 10.927 1.00 0.00 C ATOM 561 C TYR A 35 -4.498 -0.694 9.919 1.00 0.00 C ATOM 562 O TYR A 35 -3.930 0.328 10.311 1.00 0.00 O ATOM 563 CB TYR A 35 -3.838 -2.940 10.868 1.00 0.00 C ATOM 564 CG TYR A 35 -2.381 -2.521 10.932 1.00 0.00 C ATOM 565 CD1 TYR A 35 -1.857 -1.966 12.115 1.00 0.00 C ATOM 566 CD2 TYR A 35 -1.545 -2.705 9.813 1.00 0.00 C ATOM 567 CE1 TYR A 35 -0.499 -1.605 12.187 1.00 0.00 C ATOM 568 CE2 TYR A 35 -0.187 -2.347 9.876 1.00 0.00 C ATOM 569 CZ TYR A 35 0.343 -1.800 11.067 1.00 0.00 C ATOM 570 OH TYR A 35 1.669 -1.482 11.131 1.00 0.00 O ATOM 0 H TYR A 35 -6.175 -3.296 10.341 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.826 -1.329 11.915 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.040 -3.623 11.693 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.999 -3.498 9.946 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.500 -1.817 12.970 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.949 -3.123 8.903 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.100 -1.180 13.096 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.450 -2.490 9.016 1.00 0.00 H new ATOM 0 HH TYR A 35 1.988 -1.594 12.051 1.00 0.00 H new ATOM 580 N LEU A 36 -4.846 -0.868 8.639 1.00 0.00 N ATOM 581 CA LEU A 36 -4.582 0.130 7.618 1.00 0.00 C ATOM 582 C LEU A 36 -5.375 1.379 7.919 1.00 0.00 C ATOM 583 O LEU A 36 -4.734 2.423 8.010 1.00 0.00 O ATOM 584 CB LEU A 36 -4.881 -0.388 6.205 1.00 0.00 C ATOM 585 CG LEU A 36 -3.605 -0.795 5.448 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.696 -1.759 6.221 1.00 0.00 C ATOM 587 CD2 LEU A 36 -4.026 -1.452 4.132 1.00 0.00 C ATOM 0 H LEU A 36 -5.316 -1.704 8.291 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.517 0.363 7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.551 -1.245 6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.404 0.384 5.641 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.020 0.111 5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.820 -1.996 5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.379 -1.292 7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.242 -2.676 6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.138 -1.751 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.635 -2.331 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.605 -0.743 3.540 1.00 0.00 H new ATOM 599 N ASP A 37 -6.697 1.297 8.156 1.00 0.00 N ATOM 600 CA ASP A 37 -7.436 2.485 8.582 1.00 0.00 C ATOM 601 C ASP A 37 -6.738 3.076 9.756 1.00 0.00 C ATOM 602 O ASP A 37 -6.477 4.281 9.728 1.00 0.00 O ATOM 603 CB ASP A 37 -8.894 2.257 9.037 1.00 0.00 C ATOM 604 CG ASP A 37 -9.589 3.493 9.717 1.00 0.00 C ATOM 605 OD1 ASP A 37 -9.034 4.237 10.580 1.00 0.00 O ATOM 606 OD2 ASP A 37 -10.786 3.690 9.413 1.00 0.00 O ATOM 0 H ASP A 37 -7.255 0.448 8.062 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.470 3.116 7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.485 1.960 8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.912 1.421 9.736 1.00 0.00 H new ATOM 611 N ASP A 38 -6.411 2.279 10.782 1.00 0.00 N ATOM 612 CA ASP A 38 -5.990 2.963 11.969 1.00 0.00 C ATOM 613 C ASP A 38 -4.696 3.745 11.785 1.00 0.00 C ATOM 614 O ASP A 38 -4.588 4.857 12.306 1.00 0.00 O ATOM 615 CB ASP A 38 -6.091 2.210 13.284 1.00 0.00 C ATOM 616 CG ASP A 38 -6.230 3.293 14.393 1.00 0.00 C ATOM 617 OD1 ASP A 38 -6.791 4.397 14.123 1.00 0.00 O ATOM 618 OD2 ASP A 38 -5.791 3.040 15.537 1.00 0.00 O ATOM 0 H ASP A 38 -6.430 1.259 10.805 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.778 3.704 12.103 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.951 1.540 13.284 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.207 1.594 13.449 1.00 0.00 H new ATOM 623 N THR A 39 -3.825 3.252 10.912 1.00 0.00 N ATOM 624 CA THR A 39 -2.532 3.855 10.666 1.00 0.00 C ATOM 625 C THR A 39 -2.702 5.100 9.781 1.00 0.00 C ATOM 626 O THR A 39 -2.114 6.147 10.055 1.00 0.00 O ATOM 627 CB THR A 39 -1.640 2.787 10.017 1.00 0.00 C ATOM 628 OG1 THR A 39 -1.599 1.606 10.796 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.216 3.310 9.890 1.00 0.00 C ATOM 0 H THR A 39 -4.003 2.417 10.354 1.00 0.00 H new ATOM 0 HA THR A 39 -2.061 4.192 11.589 1.00 0.00 H new ATOM 0 HB THR A 39 -2.062 2.562 9.038 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.462 1.145 10.737 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.412 2.548 9.429 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.212 4.207 9.271 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.173 3.550 10.879 1.00 0.00 H new ATOM 637 N LEU A 40 -3.518 4.994 8.731 1.00 0.00 N ATOM 638 CA LEU A 40 -3.897 6.106 7.868 1.00 0.00 C ATOM 639 C LEU A 40 -4.643 7.173 8.690 1.00 0.00 C ATOM 640 O LEU A 40 -5.456 6.865 9.575 1.00 0.00 O ATOM 641 CB LEU A 40 -4.797 5.613 6.716 1.00 0.00 C ATOM 642 CG LEU A 40 -4.201 4.526 5.791 1.00 0.00 C ATOM 643 CD1 LEU A 40 -5.325 3.837 5.008 1.00 0.00 C ATOM 644 CD2 LEU A 40 -3.175 5.035 4.780 1.00 0.00 C ATOM 0 H LEU A 40 -3.942 4.109 8.453 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.993 6.542 7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.721 5.226 7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.067 6.472 6.102 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.680 3.842 6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.900 3.072 4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.023 3.374 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.852 4.575 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.814 4.202 4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.640 5.777 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.337 5.490 5.309 1.00 0.00 H new ATOM 656 N GLU A 41 -4.437 8.438 8.327 1.00 0.00 N ATOM 657 CA GLU A 41 -5.124 9.603 8.882 1.00 0.00 C ATOM 658 C GLU A 41 -5.715 10.418 7.720 1.00 0.00 C ATOM 659 O GLU A 41 -5.477 11.618 7.570 1.00 0.00 O ATOM 660 CB GLU A 41 -4.172 10.396 9.799 1.00 0.00 C ATOM 661 CG GLU A 41 -3.824 9.639 11.092 1.00 0.00 C ATOM 662 CD GLU A 41 -5.021 9.541 12.062 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.237 10.484 12.857 1.00 0.00 O ATOM 664 OE2 GLU A 41 -5.751 8.520 12.057 1.00 0.00 O ATOM 0 H GLU A 41 -3.758 8.690 7.608 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.956 9.310 9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.254 10.620 9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.632 11.351 10.055 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.482 8.635 10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.996 10.142 11.592 1.00 0.00 H new ATOM 671 N PHE A 42 -6.464 9.720 6.858 1.00 0.00 N ATOM 672 CA PHE A 42 -7.277 10.301 5.791 1.00 0.00 C ATOM 673 C PHE A 42 -8.320 11.299 6.350 1.00 0.00 C ATOM 674 O PHE A 42 -8.629 11.232 7.546 1.00 0.00 O ATOM 675 CB PHE A 42 -7.910 9.145 4.994 1.00 0.00 C ATOM 676 CG PHE A 42 -8.751 8.156 5.787 1.00 0.00 C ATOM 677 CD1 PHE A 42 -10.020 8.529 6.275 1.00 0.00 C ATOM 678 CD2 PHE A 42 -8.316 6.823 5.940 1.00 0.00 C ATOM 679 CE1 PHE A 42 -10.841 7.583 6.912 1.00 0.00 C ATOM 680 CE2 PHE A 42 -9.135 5.879 6.583 1.00 0.00 C ATOM 681 CZ PHE A 42 -10.400 6.258 7.063 1.00 0.00 C ATOM 0 H PHE A 42 -6.520 8.702 6.888 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.656 10.892 5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.535 9.573 4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.111 8.594 4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.363 9.547 6.159 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.349 6.526 5.561 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.811 7.875 7.286 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.792 4.863 6.708 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.033 5.530 7.548 1.00 0.00 H new ATOM 691 N PRO A 43 -8.917 12.194 5.531 1.00 0.00 N ATOM 692 CA PRO A 43 -8.687 12.397 4.097 1.00 0.00 C ATOM 693 C PRO A 43 -7.273 12.913 3.808 1.00 0.00 C ATOM 694 O PRO A 43 -6.673 13.582 4.653 1.00 0.00 O ATOM 695 CB PRO A 43 -9.750 13.414 3.655 1.00 0.00 C ATOM 696 CG PRO A 43 -10.039 14.214 4.920 1.00 0.00 C ATOM 697 CD PRO A 43 -9.897 13.160 6.015 1.00 0.00 C ATOM 0 HA PRO A 43 -8.767 11.458 3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.382 14.054 2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.646 12.919 3.282 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.333 15.034 5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.037 14.652 4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -9.567 13.613 6.950 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.853 12.676 6.215 1.00 0.00 H new ATOM 705 N PHE A 44 -6.738 12.609 2.621 1.00 0.00 N ATOM 706 CA PHE A 44 -5.433 13.106 2.184 1.00 0.00 C ATOM 707 C PHE A 44 -5.414 13.241 0.661 1.00 0.00 C ATOM 708 O PHE A 44 -6.246 12.652 -0.023 1.00 0.00 O ATOM 709 CB PHE A 44 -4.296 12.199 2.701 1.00 0.00 C ATOM 710 CG PHE A 44 -4.283 10.748 2.236 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.838 10.428 0.943 1.00 0.00 C ATOM 712 CD2 PHE A 44 -4.635 9.703 3.111 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.757 9.097 0.511 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.564 8.364 2.684 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.120 8.057 1.384 1.00 0.00 C ATOM 0 H PHE A 44 -7.200 12.010 1.936 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.265 14.095 2.611 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.348 12.652 2.413 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.333 12.202 3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.553 11.222 0.269 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.961 9.930 4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.417 8.871 -0.489 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.851 7.569 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.059 7.029 1.059 1.00 0.00 H new ATOM 725 N MET A 45 -4.473 14.004 0.107 1.00 0.00 N ATOM 726 CA MET A 45 -4.319 14.132 -1.341 1.00 0.00 C ATOM 727 C MET A 45 -3.424 12.997 -1.838 1.00 0.00 C ATOM 728 O MET A 45 -2.434 12.675 -1.180 1.00 0.00 O ATOM 729 CB MET A 45 -3.682 15.497 -1.639 1.00 0.00 C ATOM 730 CG MET A 45 -3.497 15.745 -3.136 1.00 0.00 C ATOM 731 SD MET A 45 -2.588 17.262 -3.517 1.00 0.00 S ATOM 732 CE MET A 45 -2.549 17.081 -5.315 1.00 0.00 C ATOM 0 H MET A 45 -3.799 14.548 0.646 1.00 0.00 H new ATOM 0 HA MET A 45 -5.282 14.069 -1.848 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.307 16.285 -1.218 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.714 15.558 -1.142 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.970 14.897 -3.573 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.477 15.790 -3.611 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.863 17.814 -5.740 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.212 16.077 -5.572 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.548 17.243 -5.719 1.00 0.00 H new ATOM 742 N GLY A 46 -3.699 12.423 -3.010 1.00 0.00 N ATOM 743 CA GLY A 46 -2.831 11.424 -3.600 1.00 0.00 C ATOM 744 C GLY A 46 -2.918 11.442 -5.114 1.00 0.00 C ATOM 745 O GLY A 46 -3.771 12.100 -5.711 1.00 0.00 O ATOM 0 H GLY A 46 -4.525 12.641 -3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.802 11.605 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.106 10.436 -3.230 1.00 0.00 H new ATOM 749 N LYS A 47 -2.000 10.721 -5.743 1.00 0.00 N ATOM 750 CA LYS A 47 -2.064 10.443 -7.165 1.00 0.00 C ATOM 751 C LYS A 47 -2.662 9.051 -7.302 1.00 0.00 C ATOM 752 O LYS A 47 -2.157 8.096 -6.705 1.00 0.00 O ATOM 753 CB LYS A 47 -0.656 10.497 -7.789 1.00 0.00 C ATOM 754 CG LYS A 47 -0.702 10.658 -9.317 1.00 0.00 C ATOM 755 CD LYS A 47 -1.095 12.078 -9.773 1.00 0.00 C ATOM 756 CE LYS A 47 -0.087 13.194 -9.447 1.00 0.00 C ATOM 757 NZ LYS A 47 1.273 12.924 -9.977 1.00 0.00 N ATOM 0 H LYS A 47 -1.189 10.313 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.671 11.183 -7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.100 11.328 -7.355 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.114 9.585 -7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.275 10.409 -9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.414 9.942 -9.729 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.252 12.061 -10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.051 12.334 -9.315 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.451 14.135 -9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.031 13.320 -8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.818 13.809 -10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.755 12.238 -9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.200 12.535 -10.939 1.00 0.00 H new ATOM 771 N TRP A 48 -3.743 8.928 -8.060 1.00 0.00 N ATOM 772 CA TRP A 48 -4.266 7.641 -8.460 1.00 0.00 C ATOM 773 C TRP A 48 -3.396 7.256 -9.652 1.00 0.00 C ATOM 774 O TRP A 48 -3.481 7.876 -10.713 1.00 0.00 O ATOM 775 CB TRP A 48 -5.756 7.761 -8.819 1.00 0.00 C ATOM 776 CG TRP A 48 -6.474 6.485 -9.144 1.00 0.00 C ATOM 777 CD1 TRP A 48 -5.922 5.256 -9.177 1.00 0.00 C ATOM 778 CD2 TRP A 48 -7.883 6.276 -9.470 1.00 0.00 C ATOM 779 NE1 TRP A 48 -6.869 4.308 -9.463 1.00 0.00 N ATOM 780 CE2 TRP A 48 -8.108 4.877 -9.663 1.00 0.00 C ATOM 781 CE3 TRP A 48 -9.000 7.130 -9.606 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.377 4.357 -9.963 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -10.275 6.620 -9.915 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.466 5.237 -10.089 1.00 0.00 C ATOM 0 H TRP A 48 -4.278 9.722 -8.412 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.227 6.883 -7.678 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.270 8.238 -7.984 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.847 8.431 -9.674 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.877 5.047 -9.002 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.681 3.307 -9.521 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.873 8.194 -9.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.515 3.294 -10.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.112 7.295 -10.019 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.448 4.852 -10.319 1.00 0.00 H new ATOM 795 N LYS A 49 -2.505 6.283 -9.476 1.00 0.00 N ATOM 796 CA LYS A 49 -1.641 5.758 -10.527 1.00 0.00 C ATOM 797 C LYS A 49 -2.370 4.549 -11.110 1.00 0.00 C ATOM 798 O LYS A 49 -1.984 3.400 -10.894 1.00 0.00 O ATOM 799 CB LYS A 49 -0.259 5.447 -9.924 1.00 0.00 C ATOM 800 CG LYS A 49 0.533 6.753 -9.721 1.00 0.00 C ATOM 801 CD LYS A 49 1.800 6.603 -8.869 1.00 0.00 C ATOM 802 CE LYS A 49 2.765 5.531 -9.396 1.00 0.00 C ATOM 803 NZ LYS A 49 4.084 5.597 -8.721 1.00 0.00 N ATOM 0 H LYS A 49 -2.361 5.827 -8.575 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.450 6.461 -11.338 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.377 4.931 -8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.292 4.776 -10.583 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.812 7.149 -10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.120 7.490 -9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.319 7.561 -8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.514 6.354 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.329 4.544 -9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.900 5.660 -10.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.572 4.684 -8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.659 6.347 -9.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.947 5.806 -7.711 1.00 0.00 H new ATOM 817 N LYS A 50 -3.503 4.823 -11.758 1.00 0.00 N ATOM 818 CA LYS A 50 -4.415 3.796 -12.245 1.00 0.00 C ATOM 819 C LYS A 50 -3.704 3.032 -13.353 1.00 0.00 C ATOM 820 O LYS A 50 -2.977 3.649 -14.131 1.00 0.00 O ATOM 821 CB LYS A 50 -5.693 4.476 -12.765 1.00 0.00 C ATOM 822 CG LYS A 50 -6.855 3.489 -12.948 1.00 0.00 C ATOM 823 CD LYS A 50 -8.101 4.219 -13.468 1.00 0.00 C ATOM 824 CE LYS A 50 -9.258 3.229 -13.659 1.00 0.00 C ATOM 825 NZ LYS A 50 -10.483 3.887 -14.179 1.00 0.00 N ATOM 0 H LYS A 50 -3.813 5.774 -11.960 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.698 3.100 -11.455 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.993 5.259 -12.068 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.480 4.961 -13.718 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.567 2.704 -13.648 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.080 3.003 -11.999 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.393 4.999 -12.765 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.874 4.711 -14.414 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.950 2.443 -14.348 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.483 2.748 -12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.236 3.179 -14.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.794 4.620 -13.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.278 4.324 -15.100 1.00 0.00 H new ATOM 839 N LYS A 51 -3.886 1.713 -13.472 1.00 0.00 N ATOM 840 CA LYS A 51 -3.398 1.014 -14.663 1.00 0.00 C ATOM 841 C LYS A 51 -4.083 1.648 -15.880 1.00 0.00 C ATOM 842 O LYS A 51 -5.270 1.980 -15.810 1.00 0.00 O ATOM 843 CB LYS A 51 -3.689 -0.493 -14.575 1.00 0.00 C ATOM 844 CG LYS A 51 -2.863 -1.271 -15.614 1.00 0.00 C ATOM 845 CD LYS A 51 -3.264 -2.749 -15.726 1.00 0.00 C ATOM 846 CE LYS A 51 -4.664 -2.993 -16.317 1.00 0.00 C ATOM 847 NZ LYS A 51 -4.830 -2.434 -17.683 1.00 0.00 N ATOM 0 H LYS A 51 -4.352 1.124 -12.782 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.316 1.114 -14.749 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.456 -0.855 -13.574 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.751 -0.673 -14.740 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.977 -0.796 -16.588 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.807 -1.207 -15.350 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.529 -3.265 -16.344 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.220 -3.199 -14.734 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.857 -4.065 -16.345 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.411 -2.551 -15.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.461 -3.049 -18.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.242 -1.481 -17.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.903 -2.380 -18.151 1.00 0.00 H new ATOM 861 N SER A 52 -3.363 1.803 -16.987 1.00 0.00 N ATOM 862 CA SER A 52 -3.914 2.295 -18.238 1.00 0.00 C ATOM 863 C SER A 52 -5.114 1.456 -18.681 1.00 0.00 C ATOM 864 O SER A 52 -5.203 0.259 -18.391 1.00 0.00 O ATOM 865 CB SER A 52 -2.821 2.275 -19.301 1.00 0.00 C ATOM 866 OG SER A 52 -1.761 3.123 -18.923 1.00 0.00 O ATOM 0 H SER A 52 -2.368 1.587 -17.037 1.00 0.00 H new ATOM 0 HA SER A 52 -4.268 3.316 -18.095 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.453 1.258 -19.436 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.229 2.596 -20.259 1.00 0.00 H new ATOM 0 HG SER A 52 -0.948 2.866 -19.406 1.00 0.00 H new ATOM 872 N ARG A 53 -6.031 2.090 -19.417 1.00 0.00 N ATOM 873 CA ARG A 53 -7.323 1.509 -19.782 1.00 0.00 C ATOM 874 C ARG A 53 -7.187 0.232 -20.619 1.00 0.00 C ATOM 875 O ARG A 53 -8.041 -0.648 -20.510 1.00 0.00 O ATOM 876 CB ARG A 53 -8.146 2.594 -20.503 1.00 0.00 C ATOM 877 CG ARG A 53 -9.616 2.193 -20.713 1.00 0.00 C ATOM 878 CD ARG A 53 -10.444 3.322 -21.344 1.00 0.00 C ATOM 879 NE ARG A 53 -9.993 3.662 -22.708 1.00 0.00 N ATOM 880 CZ ARG A 53 -10.332 3.031 -23.841 1.00 0.00 C ATOM 881 NH1 ARG A 53 -11.133 1.967 -23.817 1.00 0.00 N ATOM 882 NH2 ARG A 53 -9.861 3.470 -25.004 1.00 0.00 N ATOM 0 H ARG A 53 -5.894 3.033 -19.780 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.841 1.191 -18.877 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.106 3.517 -19.924 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.691 2.804 -21.471 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.662 1.311 -21.352 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.055 1.916 -19.755 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.492 3.025 -21.375 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.383 4.209 -20.713 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.360 4.457 -22.797 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.497 1.622 -22.929 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.383 1.497 -24.687 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.245 4.283 -25.031 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.115 2.994 -25.870 1.00 0.00 H new ATOM 896 N LYS A 54 -6.133 0.113 -21.438 1.00 0.00 N ATOM 897 CA LYS A 54 -5.991 -0.964 -22.427 1.00 0.00 C ATOM 898 C LYS A 54 -4.574 -1.550 -22.491 1.00 0.00 C ATOM 899 O LYS A 54 -4.282 -2.325 -23.403 1.00 0.00 O ATOM 900 CB LYS A 54 -6.492 -0.464 -23.800 1.00 0.00 C ATOM 901 CG LYS A 54 -5.684 0.717 -24.368 1.00 0.00 C ATOM 902 CD LYS A 54 -6.176 1.103 -25.769 1.00 0.00 C ATOM 903 CE LYS A 54 -5.330 2.259 -26.322 1.00 0.00 C ATOM 904 NZ LYS A 54 -5.727 2.640 -27.701 1.00 0.00 N ATOM 0 H LYS A 54 -5.350 0.766 -21.433 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.613 -1.800 -22.108 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.458 -1.290 -24.511 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.536 -0.166 -23.708 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.770 1.574 -23.700 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.628 0.451 -24.411 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.112 0.243 -26.436 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.225 1.397 -25.727 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.428 3.124 -25.666 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.278 1.972 -26.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.128 3.424 -28.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.609 1.824 -28.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.723 2.940 -27.705 1.00 0.00 H new ATOM 918 N THR A 55 -3.696 -1.204 -21.550 1.00 0.00 N ATOM 919 CA THR A 55 -2.285 -1.592 -21.543 1.00 0.00 C ATOM 920 C THR A 55 -1.836 -1.822 -20.094 1.00 0.00 C ATOM 921 O THR A 55 -2.580 -1.526 -19.154 1.00 0.00 O ATOM 922 CB THR A 55 -1.440 -0.505 -22.253 1.00 0.00 C ATOM 923 OG1 THR A 55 -1.896 0.795 -21.932 1.00 0.00 O ATOM 924 CG2 THR A 55 -1.472 -0.635 -23.779 1.00 0.00 C ATOM 0 H THR A 55 -3.954 -0.629 -20.748 1.00 0.00 H new ATOM 0 HA THR A 55 -2.141 -2.523 -22.091 1.00 0.00 H new ATOM 0 HB THR A 55 -0.421 -0.657 -21.897 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.223 1.252 -21.386 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.863 0.152 -24.224 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.076 -1.608 -24.070 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.499 -0.542 -24.131 1.00 0.00 H new ATOM 932 N SER A 56 -0.628 -2.353 -19.899 1.00 0.00 N ATOM 933 CA SER A 56 -0.043 -2.601 -18.580 1.00 0.00 C ATOM 934 C SER A 56 0.615 -1.344 -17.974 1.00 0.00 C ATOM 935 O SER A 56 1.187 -1.416 -16.884 1.00 0.00 O ATOM 936 CB SER A 56 0.984 -3.737 -18.703 1.00 0.00 C ATOM 937 OG SER A 56 0.434 -4.851 -19.397 1.00 0.00 O ATOM 0 H SER A 56 -0.017 -2.628 -20.668 1.00 0.00 H new ATOM 0 HA SER A 56 -0.847 -2.884 -17.900 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.868 -3.377 -19.229 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.309 -4.047 -17.710 1.00 0.00 H new ATOM 0 HG SER A 56 1.107 -5.560 -19.464 1.00 0.00 H new ATOM 943 N THR A 57 0.588 -0.214 -18.685 1.00 0.00 N ATOM 944 CA THR A 57 1.163 1.061 -18.275 1.00 0.00 C ATOM 945 C THR A 57 0.320 1.718 -17.161 1.00 0.00 C ATOM 946 O THR A 57 -0.614 1.110 -16.627 1.00 0.00 O ATOM 947 CB THR A 57 1.342 1.921 -19.547 1.00 0.00 C ATOM 948 OG1 THR A 57 0.203 1.848 -20.394 1.00 0.00 O ATOM 949 CG2 THR A 57 2.536 1.425 -20.368 1.00 0.00 C ATOM 0 H THR A 57 0.144 -0.165 -19.602 1.00 0.00 H new ATOM 0 HA THR A 57 2.145 0.933 -17.820 1.00 0.00 H new ATOM 0 HB THR A 57 1.493 2.946 -19.207 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.349 2.404 -21.188 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.646 2.042 -21.259 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.443 1.490 -19.767 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.370 0.389 -20.663 1.00 0.00 H new ATOM 957 N ILE A 58 0.655 2.956 -16.785 1.00 0.00 N ATOM 958 CA ILE A 58 0.003 3.715 -15.721 1.00 0.00 C ATOM 959 C ILE A 58 -0.552 4.998 -16.349 1.00 0.00 C ATOM 960 O ILE A 58 0.064 5.595 -17.237 1.00 0.00 O ATOM 961 CB ILE A 58 1.028 3.974 -14.588 1.00 0.00 C ATOM 962 CG1 ILE A 58 1.480 2.662 -13.899 1.00 0.00 C ATOM 963 CG2 ILE A 58 0.529 4.984 -13.539 1.00 0.00 C ATOM 964 CD1 ILE A 58 0.432 1.969 -13.018 1.00 0.00 C ATOM 0 H ILE A 58 1.414 3.472 -17.230 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.828 3.175 -15.267 1.00 0.00 H new ATOM 0 HB ILE A 58 1.892 4.420 -15.080 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.798 1.961 -14.671 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.355 2.880 -13.286 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.293 5.121 -12.774 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.324 5.939 -14.022 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.384 4.608 -13.077 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.859 1.063 -12.589 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.128 2.642 -12.216 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.437 1.709 -13.622 1.00 0.00 H new ATOM 976 N GLU A 59 -1.705 5.429 -15.846 1.00 0.00 N ATOM 977 CA GLU A 59 -2.474 6.576 -16.275 1.00 0.00 C ATOM 978 C GLU A 59 -2.815 7.318 -14.978 1.00 0.00 C ATOM 979 O GLU A 59 -3.507 6.795 -14.101 1.00 0.00 O ATOM 980 CB GLU A 59 -3.705 6.069 -17.048 1.00 0.00 C ATOM 981 CG GLU A 59 -4.625 7.174 -17.583 1.00 0.00 C ATOM 982 CD GLU A 59 -3.941 8.038 -18.658 1.00 0.00 C ATOM 983 OE1 GLU A 59 -3.224 9.002 -18.307 1.00 0.00 O ATOM 984 OE2 GLU A 59 -4.131 7.775 -19.868 1.00 0.00 O ATOM 0 H GLU A 59 -2.154 4.943 -15.069 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.955 7.252 -16.954 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.366 5.460 -17.886 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.285 5.417 -16.394 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.525 6.723 -18.002 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.942 7.810 -16.757 1.00 0.00 H new ATOM 991 N GLU A 60 -2.220 8.494 -14.801 1.00 0.00 N ATOM 992 CA GLU A 60 -2.299 9.251 -13.559 1.00 0.00 C ATOM 993 C GLU A 60 -3.600 10.059 -13.491 1.00 0.00 C ATOM 994 O GLU A 60 -4.091 10.550 -14.514 1.00 0.00 O ATOM 995 CB GLU A 60 -1.102 10.210 -13.483 1.00 0.00 C ATOM 996 CG GLU A 60 0.206 9.499 -13.112 1.00 0.00 C ATOM 997 CD GLU A 60 1.391 10.480 -13.105 1.00 0.00 C ATOM 998 OE1 GLU A 60 1.397 11.424 -12.283 1.00 0.00 O ATOM 999 OE2 GLU A 60 2.332 10.308 -13.915 1.00 0.00 O ATOM 0 H GLU A 60 -1.664 8.951 -15.524 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.282 8.554 -12.721 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.979 10.708 -14.445 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.310 10.986 -12.746 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.106 9.038 -12.129 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.400 8.695 -13.822 1.00 0.00 H new ATOM 1006 N LYS A 61 -4.119 10.267 -12.276 1.00 0.00 N ATOM 1007 CA LYS A 61 -5.215 11.192 -11.993 1.00 0.00 C ATOM 1008 C LYS A 61 -4.926 11.779 -10.614 1.00 0.00 C ATOM 1009 O LYS A 61 -4.633 11.026 -9.686 1.00 0.00 O ATOM 1010 CB LYS A 61 -6.554 10.435 -12.031 1.00 0.00 C ATOM 1011 CG LYS A 61 -7.772 11.371 -11.979 1.00 0.00 C ATOM 1012 CD LYS A 61 -9.097 10.618 -11.765 1.00 0.00 C ATOM 1013 CE LYS A 61 -9.355 9.445 -12.729 1.00 0.00 C ATOM 1014 NZ LYS A 61 -9.524 9.878 -14.141 1.00 0.00 N ATOM 0 H LYS A 61 -3.779 9.784 -11.445 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.289 11.990 -12.732 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.601 9.836 -12.940 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.598 9.743 -11.190 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.636 12.092 -11.173 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.828 11.938 -12.908 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.118 10.238 -10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.918 11.329 -11.857 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.524 8.742 -12.668 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.249 8.910 -12.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.695 9.046 -14.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.334 10.527 -14.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.662 10.364 -14.460 1.00 0.00 H new ATOM 1028 N THR A 62 -4.958 13.097 -10.461 1.00 0.00 N ATOM 1029 CA THR A 62 -4.698 13.743 -9.179 1.00 0.00 C ATOM 1030 C THR A 62 -6.011 13.756 -8.395 1.00 0.00 C ATOM 1031 O THR A 62 -7.027 14.236 -8.909 1.00 0.00 O ATOM 1032 CB THR A 62 -4.128 15.146 -9.438 1.00 0.00 C ATOM 1033 OG1 THR A 62 -3.093 15.064 -10.406 1.00 0.00 O ATOM 1034 CG2 THR A 62 -3.532 15.744 -8.167 1.00 0.00 C ATOM 0 H THR A 62 -5.164 13.747 -11.219 1.00 0.00 H new ATOM 0 HA THR A 62 -3.957 13.210 -8.584 1.00 0.00 H new ATOM 0 HB THR A 62 -4.945 15.778 -9.787 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.730 15.959 -10.573 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.137 16.737 -8.383 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.306 15.819 -7.403 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.727 15.104 -7.806 1.00 0.00 H new ATOM 1042 N VAL A 63 -6.018 13.229 -7.168 1.00 0.00 N ATOM 1043 CA VAL A 63 -7.248 12.993 -6.427 1.00 0.00 C ATOM 1044 C VAL A 63 -7.091 13.372 -4.954 1.00 0.00 C ATOM 1045 O VAL A 63 -5.993 13.411 -4.399 1.00 0.00 O ATOM 1046 CB VAL A 63 -7.703 11.520 -6.573 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -7.998 11.113 -8.024 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -6.707 10.502 -5.996 1.00 0.00 C ATOM 0 H VAL A 63 -5.172 12.957 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.021 13.633 -6.852 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.623 11.491 -5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.311 10.069 -8.053 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.794 11.742 -8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.099 11.238 -8.627 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.096 9.493 -6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.751 10.597 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.567 10.693 -4.932 1.00 0.00 H new ATOM 1058 N GLU A 64 -8.219 13.637 -4.313 1.00 0.00 N ATOM 1059 CA GLU A 64 -8.334 13.795 -2.873 1.00 0.00 C ATOM 1060 C GLU A 64 -9.023 12.522 -2.393 1.00 0.00 C ATOM 1061 O GLU A 64 -10.133 12.229 -2.838 1.00 0.00 O ATOM 1062 CB GLU A 64 -9.130 15.066 -2.532 1.00 0.00 C ATOM 1063 CG GLU A 64 -9.216 15.273 -1.014 1.00 0.00 C ATOM 1064 CD GLU A 64 -9.854 16.628 -0.662 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -11.101 16.735 -0.632 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -9.113 17.601 -0.394 1.00 0.00 O ATOM 0 H GLU A 64 -9.109 13.752 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.370 13.922 -2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.655 15.931 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.134 14.993 -2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.801 14.468 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.217 15.217 -0.582 1.00 0.00 H new ATOM 1073 N VAL A 65 -8.364 11.727 -1.554 1.00 0.00 N ATOM 1074 CA VAL A 65 -8.973 10.545 -0.961 1.00 0.00 C ATOM 1075 C VAL A 65 -9.825 11.016 0.211 1.00 0.00 C ATOM 1076 O VAL A 65 -9.373 11.829 1.021 1.00 0.00 O ATOM 1077 CB VAL A 65 -7.952 9.444 -0.580 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -6.781 9.347 -1.575 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -7.404 9.481 0.850 1.00 0.00 C ATOM 0 H VAL A 65 -7.398 11.885 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.602 10.047 -1.699 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.566 8.545 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.098 8.559 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.166 9.115 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.249 10.298 -1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.701 8.660 0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.894 10.429 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.227 9.380 1.558 1.00 0.00 H new ATOM 1089 N LEU A 66 -11.048 10.501 0.314 1.00 0.00 N ATOM 1090 CA LEU A 66 -11.964 10.852 1.389 1.00 0.00 C ATOM 1091 C LEU A 66 -11.794 9.888 2.563 1.00 0.00 C ATOM 1092 O LEU A 66 -12.047 10.268 3.706 1.00 0.00 O ATOM 1093 CB LEU A 66 -13.422 10.866 0.895 1.00 0.00 C ATOM 1094 CG LEU A 66 -13.760 11.880 -0.223 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -13.088 13.247 -0.025 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -13.420 11.351 -1.621 1.00 0.00 C ATOM 0 H LEU A 66 -11.430 9.827 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.723 11.859 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.671 9.867 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.070 11.069 1.748 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.839 12.016 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.366 13.911 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.415 13.680 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.005 13.122 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.677 12.103 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.353 11.133 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.987 10.440 -1.813 1.00 0.00 H new ATOM 1108 N GLY A 67 -11.338 8.662 2.298 1.00 0.00 N ATOM 1109 CA GLY A 67 -11.082 7.646 3.291 1.00 0.00 C ATOM 1110 C GLY A 67 -11.080 6.284 2.626 1.00 0.00 C ATOM 1111 O GLY A 67 -11.309 6.170 1.419 1.00 0.00 O ATOM 0 H GLY A 67 -11.133 8.350 1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.123 7.828 3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.844 7.682 4.070 1.00 0.00 H new ATOM 1115 N MET A 68 -10.802 5.248 3.409 1.00 0.00 N ATOM 1116 CA MET A 68 -10.982 3.877 2.947 1.00 0.00 C ATOM 1117 C MET A 68 -12.462 3.636 2.639 1.00 0.00 C ATOM 1118 O MET A 68 -13.345 4.240 3.258 1.00 0.00 O ATOM 1119 CB MET A 68 -10.446 2.849 3.948 1.00 0.00 C ATOM 1120 CG MET A 68 -8.923 2.924 4.093 1.00 0.00 C ATOM 1121 SD MET A 68 -8.220 1.601 5.115 1.00 0.00 S ATOM 1122 CE MET A 68 -8.079 0.266 3.897 1.00 0.00 C ATOM 0 H MET A 68 -10.452 5.331 4.364 1.00 0.00 H new ATOM 0 HA MET A 68 -10.398 3.745 2.036 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.911 3.014 4.920 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.730 1.847 3.625 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.471 2.885 3.102 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.656 3.887 4.527 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.660 -0.620 4.375 1.00 0.00 H new ATOM 0 HE2 MET A 68 -9.066 0.031 3.499 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.426 0.583 3.084 1.00 0.00 H new ATOM 1132 N ALA A 69 -12.721 2.745 1.682 1.00 0.00 N ATOM 1133 CA ALA A 69 -14.066 2.276 1.376 1.00 0.00 C ATOM 1134 C ALA A 69 -14.664 1.533 2.594 1.00 0.00 C ATOM 1135 O ALA A 69 -13.922 1.181 3.520 1.00 0.00 O ATOM 1136 CB ALA A 69 -13.999 1.389 0.125 1.00 0.00 C ATOM 0 H ALA A 69 -11.998 2.328 1.096 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.728 3.116 1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.998 1.028 -0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.608 1.968 -0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.343 0.539 0.316 1.00 0.00 H new ATOM 1142 N PRO A 70 -15.989 1.285 2.620 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.629 0.458 3.637 1.00 0.00 C ATOM 1144 C PRO A 70 -15.965 -0.913 3.792 1.00 0.00 C ATOM 1145 O PRO A 70 -15.408 -1.464 2.837 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.089 0.311 3.197 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.336 1.578 2.382 1.00 0.00 C ATOM 1148 CD PRO A 70 -16.990 1.802 1.698 1.00 0.00 C ATOM 0 HA PRO A 70 -16.540 0.929 4.616 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.241 -0.588 2.600 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.762 0.244 4.051 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.141 1.444 1.659 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.614 2.420 3.016 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.946 1.283 0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.825 2.860 1.494 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.105 -1.501 4.981 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.559 -2.817 5.310 1.00 0.00 C ATOM 1158 C ASP A 71 -16.075 -3.898 4.358 1.00 0.00 C ATOM 1159 O ASP A 71 -15.315 -4.778 3.960 1.00 0.00 O ATOM 1160 CB ASP A 71 -15.874 -3.188 6.768 1.00 0.00 C ATOM 1161 CG ASP A 71 -17.299 -3.732 6.977 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -18.258 -2.928 6.958 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -17.466 -4.952 7.195 1.00 0.00 O ATOM 0 H ASP A 71 -16.609 -1.068 5.755 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.477 -2.760 5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.157 -3.936 7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.736 -2.307 7.395 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.337 -3.791 3.929 1.00 0.00 N ATOM 1169 CA ASP A 72 -17.971 -4.738 3.013 1.00 0.00 C ATOM 1170 C ASP A 72 -17.291 -4.752 1.642 1.00 0.00 C ATOM 1171 O ASP A 72 -17.278 -5.779 0.963 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.453 -4.380 2.850 1.00 0.00 C ATOM 1173 CG ASP A 72 -20.159 -5.332 1.869 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -20.398 -6.507 2.227 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -20.529 -4.896 0.756 1.00 0.00 O ATOM 0 H ASP A 72 -17.954 -3.031 4.215 1.00 0.00 H new ATOM 0 HA ASP A 72 -17.870 -5.735 3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.948 -4.424 3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.543 -3.354 2.492 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.685 -3.630 1.248 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.957 -3.503 -0.009 1.00 0.00 C ATOM 1182 C GLU A 73 -14.468 -3.807 0.187 1.00 0.00 C ATOM 1183 O GLU A 73 -13.779 -4.078 -0.793 1.00 0.00 O ATOM 1184 CB GLU A 73 -16.164 -2.100 -0.608 1.00 0.00 C ATOM 1185 CG GLU A 73 -17.620 -1.889 -1.052 1.00 0.00 C ATOM 1186 CD GLU A 73 -17.802 -0.603 -1.880 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -17.349 -0.556 -3.047 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -18.445 0.354 -1.394 1.00 0.00 O ATOM 0 H GLU A 73 -16.688 -2.774 1.803 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.353 -4.236 -0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.894 -1.344 0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.499 -1.965 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.945 -2.746 -1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -18.262 -1.845 -0.172 1.00 0.00 H new ATOM 1195 N CYS A 74 -13.970 -3.840 1.430 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.559 -4.064 1.737 1.00 0.00 C ATOM 1197 C CYS A 74 -12.323 -5.511 2.182 1.00 0.00 C ATOM 1198 O CYS A 74 -11.322 -5.829 2.820 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.067 -3.053 2.775 1.00 0.00 C ATOM 1200 SG CYS A 74 -12.184 -1.380 2.085 1.00 0.00 S ATOM 0 H CYS A 74 -14.548 -3.709 2.260 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.974 -3.908 0.831 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.665 -3.127 3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.036 -3.273 3.053 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.033 -0.507 3.036 1.00 0.00 H new ATOM 1206 N LEU A 75 -13.277 -6.392 1.876 1.00 0.00 N ATOM 1207 CA LEU A 75 -13.345 -7.764 2.335 1.00 0.00 C ATOM 1208 C LEU A 75 -12.512 -8.710 1.460 1.00 0.00 C ATOM 1209 O LEU A 75 -12.426 -9.900 1.758 1.00 0.00 O ATOM 1210 CB LEU A 75 -14.837 -8.138 2.324 1.00 0.00 C ATOM 1211 CG LEU A 75 -15.223 -9.277 3.274 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -14.954 -8.912 4.738 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -16.714 -9.568 3.086 1.00 0.00 C ATOM 0 H LEU A 75 -14.059 -6.146 1.269 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.920 -7.862 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.420 -7.254 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.119 -8.419 1.309 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.618 -10.153 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.241 -9.745 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.893 -8.700 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.536 -8.031 5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -17.014 -10.377 3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -17.291 -8.673 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -16.900 -9.862 2.053 1.00 0.00 H new ATOM 1225 N LYS A 76 -11.914 -8.196 0.376 1.00 0.00 N ATOM 1226 CA LYS A 76 -11.139 -8.978 -0.590 1.00 0.00 C ATOM 1227 C LYS A 76 -9.830 -8.289 -0.980 1.00 0.00 C ATOM 1228 O LYS A 76 -8.865 -8.974 -1.316 1.00 0.00 O ATOM 1229 CB LYS A 76 -11.979 -9.248 -1.853 1.00 0.00 C ATOM 1230 CG LYS A 76 -13.265 -10.041 -1.570 1.00 0.00 C ATOM 1231 CD LYS A 76 -14.012 -10.368 -2.869 1.00 0.00 C ATOM 1232 CE LYS A 76 -15.298 -11.146 -2.555 1.00 0.00 C ATOM 1233 NZ LYS A 76 -16.061 -11.489 -3.781 1.00 0.00 N ATOM 0 H LYS A 76 -11.958 -7.204 0.144 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.884 -9.921 -0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.241 -8.297 -2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.373 -9.797 -2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.018 -10.965 -1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.913 -9.464 -0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.255 -9.448 -3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.373 -10.957 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.045 -12.061 -2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.927 -10.552 -1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.920 -12.013 -3.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.326 -10.616 -4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.472 -12.078 -4.403 1.00 0.00 H new ATOM 1247 N ASP A 77 -9.787 -6.957 -0.941 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.641 -6.122 -1.312 1.00 0.00 C ATOM 1249 C ASP A 77 -8.881 -4.745 -0.674 1.00 0.00 C ATOM 1250 O ASP A 77 -9.988 -4.497 -0.192 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.542 -6.036 -2.846 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.314 -5.270 -3.367 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.342 -5.071 -2.607 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -7.310 -4.914 -4.567 1.00 0.00 O ATOM 0 H ASP A 77 -10.587 -6.403 -0.636 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.697 -6.535 -0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.523 -7.047 -3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.443 -5.556 -3.229 1.00 0.00 H new ATOM 1259 N MET A 78 -7.883 -3.865 -0.614 1.00 0.00 N ATOM 1260 CA MET A 78 -7.975 -2.584 0.087 1.00 0.00 C ATOM 1261 C MET A 78 -8.358 -1.484 -0.905 1.00 0.00 C ATOM 1262 O MET A 78 -7.713 -1.337 -1.948 1.00 0.00 O ATOM 1263 CB MET A 78 -6.632 -2.252 0.755 1.00 0.00 C ATOM 1264 CG MET A 78 -6.212 -3.262 1.830 1.00 0.00 C ATOM 1265 SD MET A 78 -7.274 -3.370 3.300 1.00 0.00 S ATOM 1266 CE MET A 78 -8.190 -4.887 2.917 1.00 0.00 C ATOM 0 H MET A 78 -6.977 -4.023 -1.056 1.00 0.00 H new ATOM 0 HA MET A 78 -8.741 -2.650 0.860 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.857 -2.206 -0.010 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.695 -1.261 1.205 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.164 -4.249 1.370 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.202 -3.013 2.156 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.555 -5.335 3.841 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.035 -4.648 2.271 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.532 -5.591 2.408 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.356 -0.666 -0.559 1.00 0.00 N ATOM 1277 CA TYR A 79 -9.906 0.360 -1.443 1.00 0.00 C ATOM 1278 C TYR A 79 -10.120 1.667 -0.686 1.00 0.00 C ATOM 1279 O TYR A 79 -10.255 1.678 0.539 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.241 -0.103 -2.044 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.196 -1.350 -2.905 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -10.986 -1.259 -4.295 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.439 -2.603 -2.318 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.026 -2.419 -5.093 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -11.483 -3.763 -3.106 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.275 -3.679 -4.501 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.324 -4.800 -5.276 1.00 0.00 O ATOM 0 H TYR A 79 -9.809 -0.700 0.354 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.189 0.526 -2.247 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.941 -0.277 -1.227 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.647 0.712 -2.644 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.794 -0.298 -4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.593 -2.674 -1.251 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.866 -2.346 -6.159 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.676 -4.721 -2.646 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.503 -5.581 -4.711 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.187 2.764 -1.436 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.319 4.122 -0.935 1.00 0.00 C ATOM 1299 C VAL A 80 -11.282 4.867 -1.853 1.00 0.00 C ATOM 1300 O VAL A 80 -11.270 4.669 -3.067 1.00 0.00 O ATOM 1301 CB VAL A 80 -8.940 4.819 -0.848 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.154 4.394 0.400 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -8.047 4.573 -2.075 1.00 0.00 C ATOM 0 H VAL A 80 -10.149 2.725 -2.455 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.718 4.117 0.079 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.182 5.881 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.193 4.909 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.722 4.654 1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.988 3.317 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.097 5.092 -1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.864 3.504 -2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.545 4.949 -2.969 1.00 0.00 H new ATOM 1313 N GLU A 81 -12.133 5.703 -1.270 1.00 0.00 N ATOM 1314 CA GLU A 81 -13.004 6.607 -2.007 1.00 0.00 C ATOM 1315 C GLU A 81 -12.170 7.838 -2.347 1.00 0.00 C ATOM 1316 O GLU A 81 -11.450 8.345 -1.481 1.00 0.00 O ATOM 1317 CB GLU A 81 -14.218 6.997 -1.153 1.00 0.00 C ATOM 1318 CG GLU A 81 -15.144 5.801 -0.892 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.410 6.227 -0.128 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.394 6.255 1.123 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.443 6.523 -0.772 1.00 0.00 O ATOM 0 H GLU A 81 -12.238 5.772 -0.258 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.385 6.133 -2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.876 7.406 -0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -14.777 7.786 -1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.426 5.344 -1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.609 5.043 -0.319 1.00 0.00 H new ATOM 1328 N VAL A 82 -12.254 8.326 -3.584 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.401 9.406 -4.074 1.00 0.00 C ATOM 1330 C VAL A 82 -12.221 10.361 -4.944 1.00 0.00 C ATOM 1331 O VAL A 82 -13.144 9.924 -5.624 1.00 0.00 O ATOM 1332 CB VAL A 82 -10.165 8.832 -4.812 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -9.384 7.808 -3.972 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -10.484 8.171 -6.162 1.00 0.00 C ATOM 0 H VAL A 82 -12.919 7.981 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.018 9.982 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.557 9.719 -4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.531 7.443 -4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.031 8.282 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.036 6.972 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.564 7.797 -6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.175 7.343 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.940 8.904 -6.827 1.00 0.00 H new ATOM 1344 N ALA A 83 -11.884 11.649 -4.961 1.00 0.00 N ATOM 1345 CA ALA A 83 -12.539 12.668 -5.772 1.00 0.00 C ATOM 1346 C ALA A 83 -11.480 13.311 -6.656 1.00 0.00 C ATOM 1347 O ALA A 83 -10.370 13.582 -6.199 1.00 0.00 O ATOM 1348 CB ALA A 83 -13.208 13.710 -4.871 1.00 0.00 C ATOM 0 H ALA A 83 -11.124 12.022 -4.392 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.318 12.224 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.694 14.466 -5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.952 13.222 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.455 14.184 -4.242 1.00 0.00 H new ATOM 1354 N ASP A 84 -11.809 13.527 -7.927 1.00 0.00 N ATOM 1355 CA ASP A 84 -10.871 14.055 -8.911 1.00 0.00 C ATOM 1356 C ASP A 84 -10.618 15.539 -8.670 1.00 0.00 C ATOM 1357 O ASP A 84 -11.547 16.341 -8.758 1.00 0.00 O ATOM 1358 CB ASP A 84 -11.428 13.847 -10.325 1.00 0.00 C ATOM 1359 CG ASP A 84 -10.612 14.636 -11.349 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -9.387 14.413 -11.438 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -11.205 15.501 -12.028 1.00 0.00 O ATOM 0 H ASP A 84 -12.738 13.340 -8.304 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.926 13.520 -8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.409 12.787 -10.576 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.470 14.164 -10.361 1.00 0.00 H new ATOM 1366 N ILE A 85 -9.366 15.910 -8.398 1.00 0.00 N ATOM 1367 CA ILE A 85 -8.947 17.306 -8.285 1.00 0.00 C ATOM 1368 C ILE A 85 -8.654 17.856 -9.695 1.00 0.00 C ATOM 1369 O ILE A 85 -8.761 19.062 -9.920 1.00 0.00 O ATOM 1370 CB ILE A 85 -7.708 17.425 -7.357 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -7.910 16.742 -5.982 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -7.335 18.897 -7.096 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -6.624 16.672 -5.144 1.00 0.00 C ATOM 0 H ILE A 85 -8.608 15.243 -8.249 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.744 17.899 -7.837 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.908 16.915 -7.893 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.671 17.286 -5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.289 15.732 -6.138 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.464 18.941 -6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.105 19.387 -8.042 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.173 19.405 -6.618 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.835 16.182 -4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.868 16.103 -5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.255 17.681 -4.958 1.00 0.00 H new ATOM 1385 N GLY A 86 -8.287 16.989 -10.648 1.00 0.00 N ATOM 1386 CA GLY A 86 -7.777 17.372 -11.957 1.00 0.00 C ATOM 1387 C GLY A 86 -8.758 18.210 -12.777 1.00 0.00 C ATOM 1388 O GLY A 86 -8.317 19.090 -13.521 1.00 0.00 O ATOM 0 H GLY A 86 -8.341 15.979 -10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.853 17.935 -11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.526 16.471 -12.517 1.00 0.00 H new ATOM 1392 N GLY A 87 -10.067 17.978 -12.637 1.00 0.00 N ATOM 1393 CA GLY A 87 -11.079 18.630 -13.452 1.00 0.00 C ATOM 1394 C GLY A 87 -12.429 18.784 -12.762 1.00 0.00 C ATOM 1395 O GLY A 87 -12.976 19.890 -12.750 1.00 0.00 O ATOM 0 H GLY A 87 -10.449 17.328 -11.950 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.717 19.616 -13.742 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.215 18.058 -14.370 1.00 0.00 H new ATOM 1399 N LYS A 88 -12.981 17.706 -12.196 1.00 0.00 N ATOM 1400 CA LYS A 88 -14.364 17.721 -11.718 1.00 0.00 C ATOM 1401 C LYS A 88 -14.494 18.469 -10.397 1.00 0.00 C ATOM 1402 O LYS A 88 -15.289 19.404 -10.314 1.00 0.00 O ATOM 1403 CB LYS A 88 -14.924 16.293 -11.615 1.00 0.00 C ATOM 1404 CG LYS A 88 -14.997 15.629 -13.000 1.00 0.00 C ATOM 1405 CD LYS A 88 -15.744 14.291 -12.942 1.00 0.00 C ATOM 1406 CE LYS A 88 -15.874 13.649 -14.331 1.00 0.00 C ATOM 1407 NZ LYS A 88 -14.588 13.106 -14.834 1.00 0.00 N ATOM 0 H LYS A 88 -12.495 16.820 -12.059 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.962 18.262 -12.451 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.293 15.698 -10.955 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.918 16.319 -11.168 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.499 16.297 -13.699 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -13.989 15.468 -13.381 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.217 13.609 -12.275 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -16.737 14.447 -12.519 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -16.610 12.847 -14.288 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -16.251 14.390 -15.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.666 12.919 -15.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -13.830 13.798 -14.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.366 12.221 -14.335 1.00 0.00 H new ATOM 1421 N ASP A 89 -13.730 18.059 -9.379 1.00 0.00 N ATOM 1422 CA ASP A 89 -13.835 18.511 -7.983 1.00 0.00 C ATOM 1423 C ASP A 89 -15.281 18.476 -7.444 1.00 0.00 C ATOM 1424 O ASP A 89 -15.653 19.233 -6.546 1.00 0.00 O ATOM 1425 CB ASP A 89 -13.152 19.878 -7.834 1.00 0.00 C ATOM 1426 CG ASP A 89 -12.996 20.318 -6.366 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -12.509 19.523 -5.531 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -13.298 21.493 -6.050 1.00 0.00 O ATOM 0 H ASP A 89 -12.987 17.372 -9.509 1.00 0.00 H new ATOM 0 HA ASP A 89 -13.303 17.803 -7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.168 19.839 -8.302 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -13.732 20.628 -8.372 1.00 0.00 H new ATOM 1433 N ASP A 90 -16.121 17.608 -8.019 1.00 0.00 N ATOM 1434 CA ASP A 90 -17.573 17.574 -7.795 1.00 0.00 C ATOM 1435 C ASP A 90 -18.159 16.168 -8.028 1.00 0.00 C ATOM 1436 O ASP A 90 -19.375 15.995 -8.117 1.00 0.00 O ATOM 1437 CB ASP A 90 -18.240 18.608 -8.721 1.00 0.00 C ATOM 1438 CG ASP A 90 -19.735 18.819 -8.419 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -20.094 19.106 -7.254 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -20.560 18.773 -9.361 1.00 0.00 O ATOM 0 H ASP A 90 -15.803 16.890 -8.670 1.00 0.00 H new ATOM 0 HA ASP A 90 -17.774 17.825 -6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -17.719 19.561 -8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -18.127 18.285 -9.756 1.00 0.00 H new ATOM 1445 N ASP A 91 -17.306 15.144 -8.139 1.00 0.00 N ATOM 1446 CA ASP A 91 -17.708 13.749 -8.334 1.00 0.00 C ATOM 1447 C ASP A 91 -16.699 12.843 -7.628 1.00 0.00 C ATOM 1448 O ASP A 91 -15.574 13.274 -7.354 1.00 0.00 O ATOM 1449 CB ASP A 91 -17.792 13.416 -9.831 1.00 0.00 C ATOM 1450 CG ASP A 91 -18.373 12.015 -10.100 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -19.210 11.531 -9.305 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -18.021 11.409 -11.136 1.00 0.00 O ATOM 0 H ASP A 91 -16.294 15.266 -8.095 1.00 0.00 H new ATOM 0 HA ASP A 91 -18.698 13.588 -7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -18.410 14.162 -10.330 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -16.796 13.482 -10.269 1.00 0.00 H new ATOM 1457 N VAL A 92 -17.089 11.603 -7.326 1.00 0.00 N ATOM 1458 CA VAL A 92 -16.338 10.691 -6.471 1.00 0.00 C ATOM 1459 C VAL A 92 -16.298 9.309 -7.142 1.00 0.00 C ATOM 1460 O VAL A 92 -17.212 8.918 -7.874 1.00 0.00 O ATOM 1461 CB VAL A 92 -16.964 10.652 -5.052 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -16.063 9.945 -4.026 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -17.275 12.052 -4.486 1.00 0.00 C ATOM 0 H VAL A 92 -17.956 11.199 -7.679 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.311 11.035 -6.346 1.00 0.00 H new ATOM 0 HB VAL A 92 -17.890 10.095 -5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.551 9.947 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.889 8.917 -4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.110 10.469 -3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -17.711 11.954 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.354 12.632 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -17.980 12.561 -5.142 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.221 8.584 -6.863 1.00 0.00 N ATOM 1474 CA TYR A 93 -14.842 7.297 -7.418 1.00 0.00 C ATOM 1475 C TYR A 93 -14.315 6.415 -6.278 1.00 0.00 C ATOM 1476 O TYR A 93 -14.198 6.857 -5.132 1.00 0.00 O ATOM 1477 CB TYR A 93 -13.729 7.509 -8.464 1.00 0.00 C ATOM 1478 CG TYR A 93 -14.072 8.400 -9.644 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -14.709 7.847 -10.771 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -13.699 9.759 -9.644 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -14.958 8.642 -11.903 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -13.947 10.561 -10.773 1.00 0.00 C ATOM 1483 CZ TYR A 93 -14.570 10.001 -11.913 1.00 0.00 C ATOM 1484 OH TYR A 93 -14.770 10.764 -13.025 1.00 0.00 O ATOM 0 H TYR A 93 -14.534 8.913 -6.184 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.698 6.819 -7.894 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.861 7.931 -7.958 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.431 6.533 -8.848 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.007 6.809 -10.766 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.221 10.186 -8.775 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.446 8.214 -12.766 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.662 11.603 -10.769 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.475 11.421 -12.848 1.00 0.00 H new ATOM 1494 N THR A 94 -13.923 5.190 -6.617 1.00 0.00 N ATOM 1495 CA THR A 94 -13.206 4.289 -5.725 1.00 0.00 C ATOM 1496 C THR A 94 -11.949 3.827 -6.464 1.00 0.00 C ATOM 1497 O THR A 94 -12.002 3.514 -7.656 1.00 0.00 O ATOM 1498 CB THR A 94 -14.116 3.123 -5.289 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.402 3.588 -4.914 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.535 2.360 -4.094 1.00 0.00 C ATOM 0 H THR A 94 -14.099 4.790 -7.538 1.00 0.00 H new ATOM 0 HA THR A 94 -12.910 4.788 -4.802 1.00 0.00 H new ATOM 0 HB THR A 94 -14.187 2.460 -6.151 1.00 0.00 H new ATOM 0 HG1 THR A 94 -15.959 2.828 -4.644 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.207 1.547 -3.819 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.561 1.950 -4.362 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.422 3.039 -3.249 1.00 0.00 H new ATOM 1508 N ALA A 95 -10.829 3.792 -5.746 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.524 3.356 -6.217 1.00 0.00 C ATOM 1510 C ALA A 95 -9.022 2.276 -5.258 1.00 0.00 C ATOM 1511 O ALA A 95 -9.581 2.094 -4.171 1.00 0.00 O ATOM 1512 CB ALA A 95 -8.577 4.560 -6.266 1.00 0.00 C ATOM 0 H ALA A 95 -10.810 4.083 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.578 2.941 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.597 4.238 -6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -8.979 5.311 -6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.481 4.988 -5.268 1.00 0.00 H new ATOM 1518 N LYS A 96 -7.975 1.551 -5.642 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.350 0.591 -4.747 1.00 0.00 C ATOM 1520 C LYS A 96 -6.303 1.357 -3.960 1.00 0.00 C ATOM 1521 O LYS A 96 -5.629 2.227 -4.510 1.00 0.00 O ATOM 1522 CB LYS A 96 -6.667 -0.548 -5.523 1.00 0.00 C ATOM 1523 CG LYS A 96 -7.612 -1.447 -6.341 1.00 0.00 C ATOM 1524 CD LYS A 96 -7.430 -1.345 -7.866 1.00 0.00 C ATOM 1525 CE LYS A 96 -8.192 -0.157 -8.466 1.00 0.00 C ATOM 1526 NZ LYS A 96 -7.882 0.039 -9.902 1.00 0.00 N ATOM 0 H LYS A 96 -7.545 1.612 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.103 0.137 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.930 -0.114 -6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.122 -1.172 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.460 -2.483 -6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.642 -1.191 -6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.369 -1.247 -8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.774 -2.268 -8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.264 -0.317 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.941 0.749 -7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.745 0.322 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.162 0.782 -10.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.521 -0.850 -10.304 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.091 1.007 -2.693 1.00 0.00 N ATOM 1541 CA LEU A 97 -4.931 1.538 -1.975 1.00 0.00 C ATOM 1542 C LEU A 97 -3.663 1.092 -2.730 1.00 0.00 C ATOM 1543 O LEU A 97 -2.684 1.828 -2.809 1.00 0.00 O ATOM 1544 CB LEU A 97 -4.923 1.056 -0.515 1.00 0.00 C ATOM 1545 CG LEU A 97 -3.879 1.791 0.354 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.232 3.274 0.538 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -3.805 1.131 1.732 1.00 0.00 C ATOM 0 H LEU A 97 -6.686 0.378 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.971 2.627 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.914 1.201 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.719 -0.014 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.919 1.726 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.473 3.755 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.271 3.762 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.203 3.359 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.068 1.650 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.781 1.185 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.513 0.087 1.620 1.00 0.00 H new ATOM 1559 N SER A 98 -3.732 -0.088 -3.353 1.00 0.00 N ATOM 1560 CA SER A 98 -2.724 -0.701 -4.204 1.00 0.00 C ATOM 1561 C SER A 98 -2.358 0.119 -5.453 1.00 0.00 C ATOM 1562 O SER A 98 -1.285 -0.110 -6.013 1.00 0.00 O ATOM 1563 CB SER A 98 -3.268 -2.071 -4.638 1.00 0.00 C ATOM 1564 OG SER A 98 -3.973 -2.691 -3.570 1.00 0.00 O ATOM 0 H SER A 98 -4.559 -0.679 -3.265 1.00 0.00 H new ATOM 0 HA SER A 98 -1.804 -0.773 -3.625 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.929 -1.950 -5.496 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.445 -2.710 -4.957 1.00 0.00 H new ATOM 0 HG SER A 98 -4.314 -3.561 -3.865 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.209 1.052 -5.904 1.00 0.00 N ATOM 1571 CA ASP A 99 -2.963 1.883 -7.092 1.00 0.00 C ATOM 1572 C ASP A 99 -3.104 3.375 -6.777 1.00 0.00 C ATOM 1573 O ASP A 99 -3.147 4.213 -7.676 1.00 0.00 O ATOM 1574 CB ASP A 99 -3.751 1.396 -8.327 1.00 0.00 C ATOM 1575 CG ASP A 99 -5.217 1.812 -8.481 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -5.911 2.142 -7.502 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -5.725 1.724 -9.625 1.00 0.00 O ATOM 0 H ASP A 99 -4.099 1.253 -5.448 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.920 1.756 -7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -3.217 1.737 -9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.715 0.307 -8.332 1.00 0.00 H new ATOM 1582 N ILE A 100 -3.060 3.715 -5.489 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.964 5.073 -4.973 1.00 0.00 C ATOM 1584 C ILE A 100 -1.565 5.250 -4.396 1.00 0.00 C ATOM 1585 O ILE A 100 -0.942 4.314 -3.890 1.00 0.00 O ATOM 1586 CB ILE A 100 -4.098 5.310 -3.943 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.366 5.712 -4.720 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.796 6.302 -2.800 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.540 7.202 -5.008 1.00 0.00 C ATOM 0 H ILE A 100 -3.092 3.017 -4.746 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.100 5.823 -5.752 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.228 4.370 -3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.369 5.177 -5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.235 5.368 -4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.666 6.381 -2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.942 5.945 -2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.567 7.282 -3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.467 7.360 -5.559 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.578 7.752 -4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.699 7.558 -5.603 1.00 0.00 H new ATOM 1601 N GLU A 101 -1.099 6.489 -4.453 1.00 0.00 N ATOM 1602 CA GLU A 101 0.144 6.929 -3.840 1.00 0.00 C ATOM 1603 C GLU A 101 -0.146 8.287 -3.205 1.00 0.00 C ATOM 1604 O GLU A 101 -0.567 9.213 -3.898 1.00 0.00 O ATOM 1605 CB GLU A 101 1.238 6.983 -4.917 1.00 0.00 C ATOM 1606 CG GLU A 101 2.624 7.260 -4.322 1.00 0.00 C ATOM 1607 CD GLU A 101 3.711 7.263 -5.411 1.00 0.00 C ATOM 1608 OE1 GLU A 101 3.967 6.200 -6.022 1.00 0.00 O ATOM 1609 OE2 GLU A 101 4.328 8.324 -5.658 1.00 0.00 O ATOM 0 H GLU A 101 -1.590 7.237 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 101 0.507 6.250 -3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.259 6.037 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 101 0.994 7.760 -5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.616 8.222 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.858 6.503 -3.574 1.00 0.00 H new ATOM 1616 N ALA A 102 0.002 8.404 -1.884 1.00 0.00 N ATOM 1617 CA ALA A 102 -0.306 9.647 -1.189 1.00 0.00 C ATOM 1618 C ALA A 102 0.728 10.721 -1.528 1.00 0.00 C ATOM 1619 O ALA A 102 1.886 10.424 -1.835 1.00 0.00 O ATOM 1620 CB ALA A 102 -0.343 9.421 0.322 1.00 0.00 C ATOM 0 H ALA A 102 0.333 7.653 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.288 9.986 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.574 10.360 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.109 8.683 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.628 9.058 0.660 1.00 0.00 H new ATOM 1626 N ILE A 103 0.307 11.977 -1.405 1.00 0.00 N ATOM 1627 CA ILE A 103 1.128 13.157 -1.645 1.00 0.00 C ATOM 1628 C ILE A 103 1.163 13.958 -0.341 1.00 0.00 C ATOM 1629 O ILE A 103 0.118 14.249 0.245 1.00 0.00 O ATOM 1630 CB ILE A 103 0.549 13.973 -2.828 1.00 0.00 C ATOM 1631 CG1 ILE A 103 0.583 13.172 -4.153 1.00 0.00 C ATOM 1632 CG2 ILE A 103 1.314 15.297 -3.015 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -0.290 13.793 -5.251 1.00 0.00 C ATOM 0 H ILE A 103 -0.647 12.207 -1.126 1.00 0.00 H new ATOM 0 HA ILE A 103 2.146 12.889 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.490 14.188 -2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.612 13.109 -4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.248 12.152 -3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.886 15.849 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.234 15.895 -2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.364 15.085 -3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.225 13.187 -6.154 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.326 13.831 -4.914 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.059 14.803 -5.466 1.00 0.00 H new ATOM 1645 N ASP A 104 2.378 14.342 0.070 1.00 0.00 N ATOM 1646 CA ASP A 104 2.668 15.232 1.202 1.00 0.00 C ATOM 1647 C ASP A 104 1.905 14.853 2.484 1.00 0.00 C ATOM 1648 O ASP A 104 1.410 15.711 3.219 1.00 0.00 O ATOM 1649 CB ASP A 104 2.478 16.697 0.772 1.00 0.00 C ATOM 1650 CG ASP A 104 2.976 17.698 1.832 1.00 0.00 C ATOM 1651 OD1 ASP A 104 4.097 17.529 2.365 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.278 18.705 2.094 1.00 0.00 O ATOM 0 H ASP A 104 3.226 14.026 -0.400 1.00 0.00 H new ATOM 0 HA ASP A 104 3.714 15.104 1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 104 3.011 16.869 -0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.422 16.879 0.574 1.00 0.00 H new ATOM 1657 N VAL A 105 1.759 13.547 2.731 1.00 0.00 N ATOM 1658 CA VAL A 105 0.965 13.023 3.840 1.00 0.00 C ATOM 1659 C VAL A 105 1.847 12.802 5.080 1.00 0.00 C ATOM 1660 O VAL A 105 3.074 12.939 5.014 1.00 0.00 O ATOM 1661 CB VAL A 105 0.183 11.783 3.354 1.00 0.00 C ATOM 1662 CG1 VAL A 105 0.996 10.480 3.328 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -1.134 11.626 4.115 1.00 0.00 C ATOM 0 H VAL A 105 2.193 12.821 2.161 1.00 0.00 H new ATOM 0 HA VAL A 105 0.216 13.744 4.168 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.047 11.978 2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.365 9.665 2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.848 10.596 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.352 10.253 4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.662 10.745 3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.928 11.511 5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.752 12.510 3.958 1.00 0.00 H new ATOM 1673 N ASP A 106 1.226 12.485 6.221 1.00 0.00 N ATOM 1674 CA ASP A 106 1.945 12.184 7.456 1.00 0.00 C ATOM 1675 C ASP A 106 2.697 10.858 7.331 1.00 0.00 C ATOM 1676 O ASP A 106 2.330 9.982 6.542 1.00 0.00 O ATOM 1677 CB ASP A 106 1.009 12.195 8.679 1.00 0.00 C ATOM 1678 CG ASP A 106 0.859 10.824 9.357 1.00 0.00 C ATOM 1679 OD1 ASP A 106 0.035 10.014 8.882 1.00 0.00 O ATOM 1680 OD2 ASP A 106 1.579 10.560 10.346 1.00 0.00 O ATOM 0 H ASP A 106 0.211 12.431 6.311 1.00 0.00 H new ATOM 0 HA ASP A 106 2.679 12.973 7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 106 1.388 12.911 9.408 1.00 0.00 H new ATOM 0 HB3 ASP A 106 0.025 12.546 8.369 1.00 0.00 H new ATOM 1685 N ASP A 107 3.747 10.710 8.137 1.00 0.00 N ATOM 1686 CA ASP A 107 4.630 9.557 8.081 1.00 0.00 C ATOM 1687 C ASP A 107 3.881 8.239 8.282 1.00 0.00 C ATOM 1688 O ASP A 107 4.169 7.274 7.580 1.00 0.00 O ATOM 1689 CB ASP A 107 5.742 9.697 9.123 1.00 0.00 C ATOM 1690 CG ASP A 107 6.682 8.481 9.103 1.00 0.00 C ATOM 1691 OD1 ASP A 107 7.497 8.360 8.161 1.00 0.00 O ATOM 1692 OD2 ASP A 107 6.658 7.680 10.065 1.00 0.00 O ATOM 0 H ASP A 107 4.006 11.393 8.849 1.00 0.00 H new ATOM 0 HA ASP A 107 5.065 9.530 7.082 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.314 10.604 8.928 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.303 9.804 10.115 1.00 0.00 H new ATOM 1697 N ASP A 108 2.900 8.184 9.188 1.00 0.00 N ATOM 1698 CA ASP A 108 2.208 6.935 9.498 1.00 0.00 C ATOM 1699 C ASP A 108 1.316 6.524 8.324 1.00 0.00 C ATOM 1700 O ASP A 108 1.345 5.368 7.901 1.00 0.00 O ATOM 1701 CB ASP A 108 1.397 7.072 10.799 1.00 0.00 C ATOM 1702 CG ASP A 108 1.368 5.796 11.658 1.00 0.00 C ATOM 1703 OD1 ASP A 108 2.347 5.016 11.657 1.00 0.00 O ATOM 1704 OD2 ASP A 108 0.398 5.619 12.429 1.00 0.00 O ATOM 0 H ASP A 108 2.569 8.991 9.718 1.00 0.00 H new ATOM 0 HA ASP A 108 2.948 6.150 9.654 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.815 7.886 11.391 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.374 7.352 10.549 1.00 0.00 H new ATOM 1709 N THR A 109 0.587 7.477 7.733 1.00 0.00 N ATOM 1710 CA THR A 109 -0.201 7.257 6.527 1.00 0.00 C ATOM 1711 C THR A 109 0.699 6.721 5.411 1.00 0.00 C ATOM 1712 O THR A 109 0.370 5.708 4.790 1.00 0.00 O ATOM 1713 CB THR A 109 -0.941 8.559 6.142 1.00 0.00 C ATOM 1714 OG1 THR A 109 -1.698 9.027 7.241 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.950 8.354 5.013 1.00 0.00 C ATOM 0 H THR A 109 0.531 8.432 8.087 1.00 0.00 H new ATOM 0 HA THR A 109 -0.966 6.501 6.704 1.00 0.00 H new ATOM 0 HB THR A 109 -0.164 9.258 5.831 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.097 9.417 7.910 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.439 9.301 4.785 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.433 7.990 4.125 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.699 7.625 5.322 1.00 0.00 H new ATOM 1723 N GLN A 110 1.859 7.343 5.188 1.00 0.00 N ATOM 1724 CA GLN A 110 2.765 6.911 4.141 1.00 0.00 C ATOM 1725 C GLN A 110 3.344 5.519 4.435 1.00 0.00 C ATOM 1726 O GLN A 110 3.527 4.734 3.501 1.00 0.00 O ATOM 1727 CB GLN A 110 3.842 7.984 3.942 1.00 0.00 C ATOM 1728 CG GLN A 110 4.757 7.717 2.744 1.00 0.00 C ATOM 1729 CD GLN A 110 4.017 7.517 1.419 1.00 0.00 C ATOM 1730 OE1 GLN A 110 3.728 8.468 0.699 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.698 6.280 1.068 1.00 0.00 N ATOM 0 H GLN A 110 2.186 8.147 5.723 1.00 0.00 H new ATOM 0 HA GLN A 110 2.221 6.802 3.203 1.00 0.00 H new ATOM 0 HB2 GLN A 110 3.359 8.952 3.811 1.00 0.00 H new ATOM 0 HB3 GLN A 110 4.449 8.050 4.845 1.00 0.00 H new ATOM 0 HG2 GLN A 110 5.450 8.552 2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 110 5.356 6.830 2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.944 5.498 1.675 1.00 0.00 H new ATOM 0 HE22 GLN A 110 3.207 6.109 0.191 1.00 0.00 H new ATOM 1740 N GLU A 111 3.604 5.183 5.700 1.00 0.00 N ATOM 1741 CA GLU A 111 4.103 3.867 6.080 1.00 0.00 C ATOM 1742 C GLU A 111 3.052 2.787 5.839 1.00 0.00 C ATOM 1743 O GLU A 111 3.412 1.717 5.355 1.00 0.00 O ATOM 1744 CB GLU A 111 4.559 3.854 7.548 1.00 0.00 C ATOM 1745 CG GLU A 111 5.934 4.506 7.742 1.00 0.00 C ATOM 1746 CD GLU A 111 7.082 3.630 7.207 1.00 0.00 C ATOM 1747 OE1 GLU A 111 7.546 2.720 7.930 1.00 0.00 O ATOM 1748 OE2 GLU A 111 7.548 3.855 6.067 1.00 0.00 O ATOM 0 H GLU A 111 3.473 5.818 6.487 1.00 0.00 H new ATOM 0 HA GLU A 111 4.965 3.648 5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.823 4.377 8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.595 2.825 7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 111 5.950 5.470 7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.094 4.701 8.802 1.00 0.00 H new ATOM 1755 N ALA A 112 1.768 3.051 6.107 1.00 0.00 N ATOM 1756 CA ALA A 112 0.699 2.097 5.821 1.00 0.00 C ATOM 1757 C ALA A 112 0.665 1.759 4.329 1.00 0.00 C ATOM 1758 O ALA A 112 0.521 0.599 3.950 1.00 0.00 O ATOM 1759 CB ALA A 112 -0.648 2.693 6.234 1.00 0.00 C ATOM 0 H ALA A 112 1.446 3.924 6.524 1.00 0.00 H new ATOM 0 HA ALA A 112 0.889 1.185 6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.443 1.979 6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.637 2.913 7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.826 3.612 5.676 1.00 0.00 H new ATOM 1765 N ILE A 113 0.806 2.786 3.490 1.00 0.00 N ATOM 1766 CA ILE A 113 0.775 2.658 2.041 1.00 0.00 C ATOM 1767 C ILE A 113 1.988 1.841 1.585 1.00 0.00 C ATOM 1768 O ILE A 113 1.827 0.868 0.849 1.00 0.00 O ATOM 1769 CB ILE A 113 0.716 4.075 1.433 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -0.659 4.710 1.739 1.00 0.00 C ATOM 1771 CG2 ILE A 113 0.993 4.080 -0.080 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -0.628 6.237 1.695 1.00 0.00 C ATOM 0 H ILE A 113 0.947 3.745 3.809 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.107 2.120 1.695 1.00 0.00 H new ATOM 0 HB ILE A 113 1.506 4.668 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.391 4.345 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.993 4.386 2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.939 5.102 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.987 3.676 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.249 3.466 -0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.621 6.628 1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.082 6.608 2.434 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.323 6.566 0.702 1.00 0.00 H new ATOM 1784 N ALA A 114 3.191 2.204 2.039 1.00 0.00 N ATOM 1785 CA ALA A 114 4.413 1.495 1.684 1.00 0.00 C ATOM 1786 C ALA A 114 4.335 0.029 2.123 1.00 0.00 C ATOM 1787 O ALA A 114 4.630 -0.866 1.336 1.00 0.00 O ATOM 1788 CB ALA A 114 5.615 2.199 2.321 1.00 0.00 C ATOM 0 H ALA A 114 3.340 2.998 2.662 1.00 0.00 H new ATOM 0 HA ALA A 114 4.533 1.507 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.530 1.669 2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.671 3.225 1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.501 2.205 3.405 1.00 0.00 H new ATOM 1794 N ASP A 115 3.888 -0.223 3.354 1.00 0.00 N ATOM 1795 CA ASP A 115 3.768 -1.570 3.907 1.00 0.00 C ATOM 1796 C ASP A 115 2.757 -2.410 3.130 1.00 0.00 C ATOM 1797 O ASP A 115 2.998 -3.587 2.855 1.00 0.00 O ATOM 1798 CB ASP A 115 3.367 -1.495 5.381 1.00 0.00 C ATOM 1799 CG ASP A 115 3.299 -2.885 6.020 1.00 0.00 C ATOM 1800 OD1 ASP A 115 4.298 -3.632 5.966 1.00 0.00 O ATOM 1801 OD2 ASP A 115 2.303 -3.172 6.719 1.00 0.00 O ATOM 0 H ASP A 115 3.597 0.510 4.000 1.00 0.00 H new ATOM 0 HA ASP A 115 4.740 -2.056 3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.085 -0.880 5.923 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.397 -1.006 5.470 1.00 0.00 H new ATOM 1806 N TRP A 116 1.648 -1.795 2.714 1.00 0.00 N ATOM 1807 CA TRP A 116 0.666 -2.454 1.871 1.00 0.00 C ATOM 1808 C TRP A 116 1.282 -2.813 0.517 1.00 0.00 C ATOM 1809 O TRP A 116 1.068 -3.919 0.027 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.582 -1.579 1.698 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.641 -2.229 0.863 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -2.027 -1.838 -0.372 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.372 -3.465 1.135 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -2.926 -2.749 -0.887 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -3.140 -3.799 -0.020 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.432 -4.360 2.226 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -3.888 -4.982 -0.103 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -3.207 -5.533 2.164 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -3.921 -5.855 0.997 1.00 0.00 C ATOM 0 H TRP A 116 1.412 -0.832 2.954 1.00 0.00 H new ATOM 0 HA TRP A 116 0.356 -3.378 2.359 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.994 -1.345 2.680 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.295 -0.633 1.239 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.684 -0.948 -0.878 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.377 -2.657 -1.797 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.873 -4.140 3.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.434 -5.220 -1.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -3.253 -6.191 3.019 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.493 -6.770 0.946 1.00 0.00 H new ATOM 1830 N LEU A 117 2.079 -1.921 -0.079 1.00 0.00 N ATOM 1831 CA LEU A 117 2.732 -2.177 -1.360 1.00 0.00 C ATOM 1832 C LEU A 117 3.776 -3.293 -1.235 1.00 0.00 C ATOM 1833 O LEU A 117 3.893 -4.109 -2.150 1.00 0.00 O ATOM 1834 CB LEU A 117 3.351 -0.883 -1.918 1.00 0.00 C ATOM 1835 CG LEU A 117 2.301 0.144 -2.395 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.958 1.516 -2.585 1.00 0.00 C ATOM 1837 CD2 LEU A 117 1.625 -0.285 -3.704 1.00 0.00 C ATOM 0 H LEU A 117 2.287 -1.003 0.315 1.00 0.00 H new ATOM 0 HA LEU A 117 1.977 -2.519 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.972 -0.425 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.008 -1.133 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 117 1.531 0.201 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.210 2.234 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.382 1.851 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.750 1.440 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.895 0.468 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.378 -0.388 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 117 1.122 -1.241 -3.557 1.00 0.00 H new ATOM 1849 N TYR A 118 4.495 -3.388 -0.109 1.00 0.00 N ATOM 1850 CA TYR A 118 5.411 -4.501 0.139 1.00 0.00 C ATOM 1851 C TYR A 118 4.637 -5.819 0.152 1.00 0.00 C ATOM 1852 O TYR A 118 5.036 -6.777 -0.508 1.00 0.00 O ATOM 1853 CB TYR A 118 6.153 -4.341 1.478 1.00 0.00 C ATOM 1854 CG TYR A 118 6.956 -3.069 1.700 1.00 0.00 C ATOM 1855 CD1 TYR A 118 7.548 -2.364 0.630 1.00 0.00 C ATOM 1856 CD2 TYR A 118 7.103 -2.586 3.015 1.00 0.00 C ATOM 1857 CE1 TYR A 118 8.248 -1.168 0.871 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.777 -1.379 3.260 1.00 0.00 C ATOM 1859 CZ TYR A 118 8.360 -0.666 2.189 1.00 0.00 C ATOM 1860 OH TYR A 118 9.031 0.494 2.440 1.00 0.00 O ATOM 0 H TYR A 118 4.457 -2.703 0.646 1.00 0.00 H new ATOM 0 HA TYR A 118 6.148 -4.504 -0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.417 -4.416 2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.831 -5.188 1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.463 -2.744 -0.377 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.694 -3.149 3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 118 8.700 -0.633 0.049 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.850 -0.996 4.267 1.00 0.00 H new ATOM 0 HH TYR A 118 9.005 0.686 3.401 1.00 0.00 H new ATOM 1870 N TRP A 119 3.512 -5.866 0.868 1.00 0.00 N ATOM 1871 CA TRP A 119 2.669 -7.044 0.975 1.00 0.00 C ATOM 1872 C TRP A 119 2.080 -7.405 -0.388 1.00 0.00 C ATOM 1873 O TRP A 119 2.039 -8.581 -0.754 1.00 0.00 O ATOM 1874 CB TRP A 119 1.595 -6.735 2.016 1.00 0.00 C ATOM 1875 CG TRP A 119 0.495 -7.730 2.155 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -0.727 -7.620 1.591 1.00 0.00 C ATOM 1877 CD2 TRP A 119 0.490 -8.993 2.884 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -1.526 -8.661 2.017 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -0.817 -9.555 2.795 1.00 0.00 C ATOM 1880 CE3 TRP A 119 1.462 -9.725 3.602 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -1.142 -10.780 3.397 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 1.141 -10.952 4.215 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.159 -11.480 4.115 1.00 0.00 C ATOM 0 H TRP A 119 3.160 -5.068 1.397 1.00 0.00 H new ATOM 0 HA TRP A 119 3.240 -7.916 1.294 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.081 -6.627 2.986 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.152 -5.769 1.772 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -1.032 -6.838 0.911 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -2.515 -8.758 1.787 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.467 -9.338 3.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -2.141 -11.182 3.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 1.898 -11.491 4.765 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.400 -12.420 4.589 1.00 0.00 H new ATOM 1894 N LEU A 120 1.703 -6.397 -1.178 1.00 0.00 N ATOM 1895 CA LEU A 120 1.189 -6.585 -2.523 1.00 0.00 C ATOM 1896 C LEU A 120 2.198 -7.379 -3.366 1.00 0.00 C ATOM 1897 O LEU A 120 1.825 -8.317 -4.070 1.00 0.00 O ATOM 1898 CB LEU A 120 0.931 -5.211 -3.172 1.00 0.00 C ATOM 1899 CG LEU A 120 -0.175 -5.263 -4.236 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -1.538 -5.115 -3.553 1.00 0.00 C ATOM 1901 CD2 LEU A 120 0.006 -4.131 -5.254 1.00 0.00 C ATOM 0 H LEU A 120 1.749 -5.419 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 120 0.254 -7.144 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 120 0.654 -4.494 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.853 -4.849 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.118 -6.218 -4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.327 -5.151 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.678 -5.928 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.580 -4.161 -3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.786 -4.183 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.041 -3.170 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.974 -4.234 -5.744 1.00 0.00 H new ATOM 1913 N ALA A 121 3.485 -7.017 -3.271 1.00 0.00 N ATOM 1914 CA ALA A 121 4.570 -7.677 -3.992 1.00 0.00 C ATOM 1915 C ALA A 121 4.961 -9.025 -3.369 1.00 0.00 C ATOM 1916 O ALA A 121 5.466 -9.898 -4.075 1.00 0.00 O ATOM 1917 CB ALA A 121 5.788 -6.746 -4.023 1.00 0.00 C ATOM 0 H ALA A 121 3.801 -6.246 -2.682 1.00 0.00 H new ATOM 0 HA ALA A 121 4.218 -7.885 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 121 6.603 -7.231 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 121 5.523 -5.817 -4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 121 6.105 -6.527 -3.003 1.00 0.00 H new ATOM 1923 N ARG A 122 4.748 -9.205 -2.059 1.00 0.00 N ATOM 1924 CA ARG A 122 5.169 -10.387 -1.298 1.00 0.00 C ATOM 1925 C ARG A 122 4.534 -11.679 -1.824 1.00 0.00 C ATOM 1926 O ARG A 122 5.124 -12.746 -1.648 1.00 0.00 O ATOM 1927 CB ARG A 122 4.834 -10.147 0.192 1.00 0.00 C ATOM 1928 CG ARG A 122 5.309 -11.187 1.220 1.00 0.00 C ATOM 1929 CD ARG A 122 6.828 -11.387 1.246 1.00 0.00 C ATOM 1930 NE ARG A 122 7.267 -12.319 0.199 1.00 0.00 N ATOM 1931 CZ ARG A 122 8.527 -12.502 -0.195 1.00 0.00 C ATOM 1932 NH1 ARG A 122 9.521 -11.788 0.319 1.00 0.00 N ATOM 1933 NH2 ARG A 122 8.821 -13.388 -1.134 1.00 0.00 N ATOM 0 H ARG A 122 4.265 -8.514 -1.485 1.00 0.00 H new ATOM 0 HA ARG A 122 6.244 -10.525 -1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.254 -9.182 0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.751 -10.062 0.280 1.00 0.00 H new ATOM 0 HG2 ARG A 122 4.976 -10.881 2.212 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.830 -12.142 1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.325 -10.426 1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.129 -11.767 2.222 1.00 0.00 H new ATOM 0 HE ARG A 122 6.547 -12.873 -0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 122 9.328 -11.083 1.030 1.00 0.00 H new ATOM 0 HH12 ARG A 122 10.478 -11.945 0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.079 -13.940 -1.565 1.00 0.00 H new ATOM 0 HH22 ARG A 122 9.789 -13.519 -1.427 1.00 0.00 H new ATOM 1947 N GLY A 123 3.360 -11.590 -2.452 1.00 0.00 N ATOM 1948 CA GLY A 123 2.634 -12.744 -2.986 1.00 0.00 C ATOM 1949 C GLY A 123 1.365 -13.026 -2.181 1.00 0.00 C ATOM 1950 O GLY A 123 0.994 -14.185 -1.990 1.00 0.00 O ATOM 0 H GLY A 123 2.881 -10.703 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 123 2.372 -12.561 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 123 3.280 -13.622 -2.969 1.00 0.00 H new ATOM 1954 N TYR A 124 0.745 -11.968 -1.651 1.00 0.00 N ATOM 1955 CA TYR A 124 -0.478 -12.001 -0.860 1.00 0.00 C ATOM 1956 C TYR A 124 -1.682 -12.636 -1.576 1.00 0.00 C ATOM 1957 O TYR A 124 -1.667 -12.856 -2.791 1.00 0.00 O ATOM 1958 CB TYR A 124 -0.826 -10.567 -0.447 1.00 0.00 C ATOM 1959 CG TYR A 124 -1.499 -9.697 -1.505 1.00 0.00 C ATOM 1960 CD1 TYR A 124 -0.962 -9.535 -2.798 1.00 0.00 C ATOM 1961 CD2 TYR A 124 -2.711 -9.059 -1.190 1.00 0.00 C ATOM 1962 CE1 TYR A 124 -1.664 -8.811 -3.777 1.00 0.00 C ATOM 1963 CE2 TYR A 124 -3.414 -8.323 -2.150 1.00 0.00 C ATOM 1964 CZ TYR A 124 -2.917 -8.230 -3.469 1.00 0.00 C ATOM 1965 OH TYR A 124 -3.642 -7.580 -4.423 1.00 0.00 O ATOM 0 H TYR A 124 1.104 -11.021 -1.771 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.279 -12.638 0.002 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -1.480 -10.612 0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 124 0.092 -10.071 -0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.003 -9.971 -3.038 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -3.107 -9.138 -0.188 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -1.246 -8.698 -4.766 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.335 -7.827 -1.883 1.00 0.00 H new ATOM 0 HH TYR A 124 -4.476 -7.247 -4.030 1.00 0.00 H new ATOM 1975 N LYS A 125 -2.761 -12.857 -0.810 1.00 0.00 N ATOM 1976 CA LYS A 125 -4.044 -13.376 -1.300 1.00 0.00 C ATOM 1977 C LYS A 125 -5.246 -12.595 -0.746 1.00 0.00 C ATOM 1978 O LYS A 125 -6.370 -12.818 -1.201 1.00 0.00 O ATOM 1979 CB LYS A 125 -4.183 -14.864 -0.923 1.00 0.00 C ATOM 1980 CG LYS A 125 -3.043 -15.737 -1.466 1.00 0.00 C ATOM 1981 CD LYS A 125 -3.279 -17.221 -1.156 1.00 0.00 C ATOM 1982 CE LYS A 125 -2.114 -18.059 -1.703 1.00 0.00 C ATOM 1983 NZ LYS A 125 -2.289 -19.509 -1.435 1.00 0.00 N ATOM 0 H LYS A 125 -2.764 -12.674 0.194 1.00 0.00 H new ATOM 0 HA LYS A 125 -4.046 -13.256 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -4.216 -14.955 0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -5.133 -15.241 -1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.958 -15.598 -2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -2.098 -15.418 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.370 -17.367 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -4.217 -17.550 -1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.027 -17.898 -2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.181 -17.718 -1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.479 -20.034 -1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.346 -19.668 -0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.165 -19.842 -1.886 1.00 0.00 H new ATOM 1997 N PHE A 126 -5.038 -11.714 0.234 1.00 0.00 N ATOM 1998 CA PHE A 126 -6.066 -11.007 0.993 1.00 0.00 C ATOM 1999 C PHE A 126 -5.413 -9.776 1.627 1.00 0.00 C ATOM 2000 O PHE A 126 -4.172 -9.785 1.799 1.00 0.00 O ATOM 2001 CB PHE A 126 -6.698 -11.923 2.068 1.00 0.00 C ATOM 2002 CG PHE A 126 -5.834 -13.074 2.569 1.00 0.00 C ATOM 2003 CD1 PHE A 126 -4.589 -12.825 3.176 1.00 0.00 C ATOM 2004 CD2 PHE A 126 -6.256 -14.404 2.383 1.00 0.00 C ATOM 2005 CE1 PHE A 126 -3.754 -13.891 3.555 1.00 0.00 C ATOM 2006 CE2 PHE A 126 -5.435 -15.473 2.784 1.00 0.00 C ATOM 2007 CZ PHE A 126 -4.177 -15.218 3.358 1.00 0.00 C ATOM 2008 OXT PHE A 126 -6.148 -8.812 1.923 1.00 0.00 O ATOM 0 H PHE A 126 -4.096 -11.462 0.534 1.00 0.00 H new ATOM 0 HA PHE A 126 -6.877 -10.702 0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -6.975 -11.306 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -7.621 -12.339 1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -4.273 -11.808 3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -7.216 -14.605 1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -2.789 -13.691 3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -5.771 -16.491 2.651 1.00 0.00 H new ATOM 0 HZ PHE A 126 -3.537 -16.039 3.647 1.00 0.00 H new TER 2018 PHE A 126 HETATM 2019 CA CA A 127 -7.143 6.105 11.781 1.00 0.00 CA HETATM 2020 CA CA A 128 -10.407 -18.117 12.334 1.00 0.00 CA