USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 596 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 Single : A 1 GLY N :NH3+ -147:sc= 0.00511 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 30:sc= -0.0818 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -119:sc= 0.0458 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 0.475 K(o=0.48,f=-4.2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.272 USER MOD Single : A 36 THR OG1 : rot 105:sc= 1.3 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= -0.0587 (180deg=-0.356) USER MOD Single : A 42 SER OG : rot 170:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 55 MET CE :methyl -174:sc= -2.04 (180deg=-2.12) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -174:sc= -1.21 (180deg=-1.34) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00351 USER MOD Single : A 73 SER OG : rot -42:sc= 0.708 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.714 -12.147 -11.238 1.00 0.00 N ATOM 2 CA GLY A 1 -12.356 -12.998 -12.374 1.00 0.00 C ATOM 3 C GLY A 1 -11.557 -12.145 -13.330 1.00 0.00 C ATOM 4 O GLY A 1 -10.526 -11.615 -12.928 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.742 -12.720 -10.370 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.006 -11.393 -11.132 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.649 -11.723 -11.403 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.772 -13.857 -12.043 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.250 -13.388 -12.860 1.00 0.00 H new ATOM 8 N SER A 2 -12.032 -11.956 -14.559 1.00 0.00 N ATOM 9 CA SER A 2 -11.547 -10.887 -15.410 1.00 0.00 C ATOM 10 C SER A 2 -12.640 -10.528 -16.414 1.00 0.00 C ATOM 11 O SER A 2 -13.584 -11.294 -16.644 1.00 0.00 O ATOM 12 CB SER A 2 -10.233 -11.312 -16.090 1.00 0.00 C ATOM 13 OG SER A 2 -9.515 -10.212 -16.632 1.00 0.00 O ATOM 0 H SER A 2 -12.756 -12.536 -14.984 1.00 0.00 H new ATOM 0 HA SER A 2 -11.322 -9.996 -14.824 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.604 -11.829 -15.365 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.454 -12.024 -16.885 1.00 0.00 H new ATOM 0 HG SER A 2 -8.689 -10.534 -17.050 1.00 0.00 H new ATOM 19 N SER A 3 -12.484 -9.364 -17.028 1.00 0.00 N ATOM 20 CA SER A 3 -13.263 -8.866 -18.140 1.00 0.00 C ATOM 21 C SER A 3 -12.296 -8.092 -19.037 1.00 0.00 C ATOM 22 O SER A 3 -11.227 -7.674 -18.587 1.00 0.00 O ATOM 23 CB SER A 3 -14.428 -8.008 -17.609 1.00 0.00 C ATOM 24 OG SER A 3 -14.042 -7.073 -16.618 1.00 0.00 O ATOM 0 H SER A 3 -11.762 -8.704 -16.740 1.00 0.00 H new ATOM 0 HA SER A 3 -13.723 -9.663 -18.724 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.883 -7.473 -18.443 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.193 -8.666 -17.197 1.00 0.00 H new ATOM 0 HG SER A 3 -14.826 -6.562 -16.327 1.00 0.00 H new ATOM 30 N GLY A 4 -12.663 -7.892 -20.299 1.00 0.00 N ATOM 31 CA GLY A 4 -11.920 -7.072 -21.240 1.00 0.00 C ATOM 32 C GLY A 4 -12.772 -5.850 -21.507 1.00 0.00 C ATOM 33 O GLY A 4 -13.472 -5.804 -22.524 1.00 0.00 O ATOM 0 H GLY A 4 -13.504 -8.306 -20.701 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.952 -6.788 -20.828 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.725 -7.619 -22.163 1.00 0.00 H new ATOM 37 N SER A 5 -12.778 -4.934 -20.541 1.00 0.00 N ATOM 38 CA SER A 5 -13.495 -3.673 -20.524 1.00 0.00 C ATOM 39 C SER A 5 -12.650 -2.745 -19.647 1.00 0.00 C ATOM 40 O SER A 5 -12.223 -3.147 -18.557 1.00 0.00 O ATOM 41 CB SER A 5 -14.909 -3.884 -19.954 1.00 0.00 C ATOM 42 OG SER A 5 -15.872 -3.194 -20.727 1.00 0.00 O ATOM 0 H SER A 5 -12.238 -5.070 -19.686 1.00 0.00 H new ATOM 0 HA SER A 5 -13.631 -3.246 -21.518 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.144 -4.948 -19.938 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.946 -3.534 -18.922 1.00 0.00 H new ATOM 0 HG SER A 5 -16.763 -3.343 -20.348 1.00 0.00 H new ATOM 48 N SER A 6 -12.333 -1.548 -20.137 1.00 0.00 N ATOM 49 CA SER A 6 -11.527 -0.586 -19.402 1.00 0.00 C ATOM 50 C SER A 6 -12.335 -0.033 -18.224 1.00 0.00 C ATOM 51 O SER A 6 -13.546 0.178 -18.334 1.00 0.00 O ATOM 52 CB SER A 6 -11.047 0.522 -20.353 1.00 0.00 C ATOM 53 OG SER A 6 -12.085 1.028 -21.170 1.00 0.00 O ATOM 0 H SER A 6 -12.630 -1.221 -21.056 1.00 0.00 H new ATOM 0 HA SER A 6 -10.640 -1.070 -18.993 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.620 1.337 -19.769 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.250 0.132 -20.986 1.00 0.00 H new ATOM 0 HG SER A 6 -11.729 1.730 -21.754 1.00 0.00 H new ATOM 59 N GLY A 7 -11.675 0.258 -17.106 1.00 0.00 N ATOM 60 CA GLY A 7 -12.284 0.863 -15.938 1.00 0.00 C ATOM 61 C GLY A 7 -13.253 -0.078 -15.250 1.00 0.00 C ATOM 62 O GLY A 7 -14.464 0.152 -15.295 1.00 0.00 O ATOM 0 H GLY A 7 -10.679 0.073 -16.990 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.505 1.158 -15.235 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.809 1.772 -16.233 1.00 0.00 H new ATOM 66 N VAL A 8 -12.729 -1.100 -14.572 1.00 0.00 N ATOM 67 CA VAL A 8 -13.483 -1.976 -13.676 1.00 0.00 C ATOM 68 C VAL A 8 -13.893 -1.218 -12.397 1.00 0.00 C ATOM 69 O VAL A 8 -13.498 -1.558 -11.279 1.00 0.00 O ATOM 70 CB VAL A 8 -12.704 -3.285 -13.414 1.00 0.00 C ATOM 71 CG1 VAL A 8 -12.741 -4.193 -14.654 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.242 -3.051 -12.998 1.00 0.00 C ATOM 0 H VAL A 8 -11.741 -1.348 -14.633 1.00 0.00 H new ATOM 0 HA VAL A 8 -14.415 -2.277 -14.154 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.206 -3.770 -12.576 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.187 -5.110 -14.450 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.775 -4.440 -14.894 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.287 -3.675 -15.498 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.754 -4.011 -12.830 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.720 -2.512 -13.789 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.214 -2.464 -12.080 1.00 0.00 H new ATOM 82 N ARG A 9 -14.715 -0.180 -12.576 1.00 0.00 N ATOM 83 CA ARG A 9 -14.969 0.941 -11.674 1.00 0.00 C ATOM 84 C ARG A 9 -13.685 1.689 -11.311 1.00 0.00 C ATOM 85 O ARG A 9 -12.581 1.307 -11.715 1.00 0.00 O ATOM 86 CB ARG A 9 -15.803 0.485 -10.467 1.00 0.00 C ATOM 87 CG ARG A 9 -17.147 -0.075 -10.916 1.00 0.00 C ATOM 88 CD ARG A 9 -18.220 0.002 -9.825 1.00 0.00 C ATOM 89 NE ARG A 9 -19.515 0.441 -10.365 1.00 0.00 N ATOM 90 CZ ARG A 9 -19.882 1.697 -10.653 1.00 0.00 C ATOM 91 NH1 ARG A 9 -19.029 2.714 -10.594 1.00 0.00 N ATOM 92 NH2 ARG A 9 -21.134 1.927 -11.005 1.00 0.00 N ATOM 0 H ARG A 9 -15.266 -0.098 -13.430 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.575 1.682 -12.196 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.256 -0.275 -9.908 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.962 1.325 -9.791 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.489 0.474 -11.794 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.019 -1.114 -11.220 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -18.334 -0.976 -9.357 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.898 0.693 -9.046 1.00 0.00 H new ATOM 0 HE ARG A 9 -20.207 -0.288 -10.539 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.059 2.551 -10.322 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.344 3.657 -10.820 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -21.800 1.156 -11.053 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -21.435 2.876 -11.228 1.00 0.00 H new ATOM 106 N VAL A 10 -13.820 2.826 -10.626 1.00 0.00 N ATOM 107 CA VAL A 10 -12.681 3.590 -10.165 1.00 0.00 C ATOM 108 C VAL A 10 -11.897 2.727 -9.180 1.00 0.00 C ATOM 109 O VAL A 10 -12.488 1.922 -8.452 1.00 0.00 O ATOM 110 CB VAL A 10 -13.189 4.907 -9.547 1.00 0.00 C ATOM 111 CG1 VAL A 10 -13.585 4.788 -8.067 1.00 0.00 C ATOM 112 CG2 VAL A 10 -12.148 6.005 -9.723 1.00 0.00 C ATOM 0 H VAL A 10 -14.722 3.234 -10.381 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.007 3.857 -10.979 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.101 5.162 -10.086 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.932 5.756 -7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.383 4.054 -7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.721 4.470 -7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.518 6.931 -9.283 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.223 5.712 -9.227 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.958 6.159 -10.785 1.00 0.00 H new ATOM 122 N LEU A 11 -10.589 2.952 -9.077 1.00 0.00 N ATOM 123 CA LEU A 11 -9.735 2.236 -8.144 1.00 0.00 C ATOM 124 C LEU A 11 -8.892 3.283 -7.425 1.00 0.00 C ATOM 125 O LEU A 11 -7.689 3.426 -7.644 1.00 0.00 O ATOM 126 CB LEU A 11 -8.897 1.176 -8.885 1.00 0.00 C ATOM 127 CG LEU A 11 -9.694 0.151 -9.723 1.00 0.00 C ATOM 128 CD1 LEU A 11 -8.737 -0.640 -10.613 1.00 0.00 C ATOM 129 CD2 LEU A 11 -10.486 -0.833 -8.854 1.00 0.00 C ATOM 0 H LEU A 11 -10.093 3.641 -9.643 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.312 1.679 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.197 1.690 -9.544 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.303 0.632 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.407 0.717 -10.323 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.302 -1.362 -11.203 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.213 0.043 -11.281 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.013 -1.166 -9.991 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.027 -1.530 -9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.800 -1.387 -8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.195 -0.283 -8.236 1.00 0.00 H new ATOM 141 N SER A 12 -9.560 4.057 -6.575 1.00 0.00 N ATOM 142 CA SER A 12 -9.015 5.256 -5.951 1.00 0.00 C ATOM 143 C SER A 12 -8.040 4.791 -4.871 1.00 0.00 C ATOM 144 O SER A 12 -8.352 3.848 -4.143 1.00 0.00 O ATOM 145 CB SER A 12 -10.210 6.039 -5.376 1.00 0.00 C ATOM 146 OG SER A 12 -9.935 7.410 -5.148 1.00 0.00 O ATOM 0 H SER A 12 -10.521 3.861 -6.294 1.00 0.00 H new ATOM 0 HA SER A 12 -8.476 5.908 -6.638 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.052 5.956 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.517 5.578 -4.437 1.00 0.00 H new ATOM 0 HG SER A 12 -10.733 7.848 -4.786 1.00 0.00 H new ATOM 152 N TYR A 13 -6.856 5.407 -4.798 1.00 0.00 N ATOM 153 CA TYR A 13 -5.823 5.052 -3.824 1.00 0.00 C ATOM 154 C TYR A 13 -6.309 5.512 -2.449 1.00 0.00 C ATOM 155 O TYR A 13 -6.292 6.712 -2.156 1.00 0.00 O ATOM 156 CB TYR A 13 -4.498 5.753 -4.166 1.00 0.00 C ATOM 157 CG TYR A 13 -3.630 5.166 -5.269 1.00 0.00 C ATOM 158 CD1 TYR A 13 -4.179 4.599 -6.440 1.00 0.00 C ATOM 159 CD2 TYR A 13 -2.230 5.234 -5.129 1.00 0.00 C ATOM 160 CE1 TYR A 13 -3.336 4.107 -7.452 1.00 0.00 C ATOM 161 CE2 TYR A 13 -1.385 4.739 -6.137 1.00 0.00 C ATOM 162 CZ TYR A 13 -1.934 4.174 -7.308 1.00 0.00 C ATOM 163 OH TYR A 13 -1.107 3.713 -8.284 1.00 0.00 O ATOM 0 H TYR A 13 -6.587 6.171 -5.418 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.649 3.976 -3.836 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.728 6.783 -4.438 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.898 5.790 -3.257 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.251 4.543 -6.559 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.802 5.671 -4.239 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.764 3.675 -8.345 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.313 4.791 -6.015 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.543 3.812 -9.156 1.00 0.00 H new ATOM 173 N ASP A 14 -6.804 4.590 -1.634 1.00 0.00 N ATOM 174 CA ASP A 14 -7.274 4.849 -0.276 1.00 0.00 C ATOM 175 C ASP A 14 -6.081 4.959 0.671 1.00 0.00 C ATOM 176 O ASP A 14 -4.982 4.495 0.361 1.00 0.00 O ATOM 177 CB ASP A 14 -8.263 3.760 0.176 1.00 0.00 C ATOM 178 CG ASP A 14 -7.671 2.356 0.134 1.00 0.00 C ATOM 179 OD1 ASP A 14 -6.787 2.056 0.954 1.00 0.00 O ATOM 180 OD2 ASP A 14 -8.094 1.566 -0.738 1.00 0.00 O ATOM 0 H ASP A 14 -6.893 3.611 -1.906 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.811 5.797 -0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.594 3.978 1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.147 3.794 -0.461 1.00 0.00 H new ATOM 185 N LYS A 15 -6.284 5.598 1.829 1.00 0.00 N ATOM 186 CA LYS A 15 -5.211 5.941 2.765 1.00 0.00 C ATOM 187 C LYS A 15 -5.284 5.140 4.065 1.00 0.00 C ATOM 188 O LYS A 15 -4.268 5.022 4.747 1.00 0.00 O ATOM 189 CB LYS A 15 -5.230 7.455 3.060 1.00 0.00 C ATOM 190 CG LYS A 15 -4.922 8.314 1.819 1.00 0.00 C ATOM 191 CD LYS A 15 -3.520 8.946 1.794 1.00 0.00 C ATOM 192 CE LYS A 15 -3.564 10.454 2.078 1.00 0.00 C ATOM 193 NZ LYS A 15 -3.492 10.800 3.511 1.00 0.00 N ATOM 0 H LYS A 15 -7.208 5.894 2.144 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.268 5.675 2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.209 7.731 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.500 7.677 3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.040 7.695 0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.664 9.110 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.888 8.456 2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.062 8.774 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.736 10.935 1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.484 10.864 1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.527 11.834 3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.296 10.371 4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.602 10.440 3.911 1.00 0.00 H new ATOM 207 N GLU A 16 -6.460 4.637 4.448 1.00 0.00 N ATOM 208 CA GLU A 16 -6.749 4.278 5.840 1.00 0.00 C ATOM 209 C GLU A 16 -7.305 2.865 6.001 1.00 0.00 C ATOM 210 O GLU A 16 -7.173 2.282 7.084 1.00 0.00 O ATOM 211 CB GLU A 16 -7.774 5.269 6.403 1.00 0.00 C ATOM 212 CG GLU A 16 -7.254 6.707 6.509 1.00 0.00 C ATOM 213 CD GLU A 16 -6.128 6.907 7.534 1.00 0.00 C ATOM 214 OE1 GLU A 16 -5.979 6.080 8.467 1.00 0.00 O ATOM 215 OE2 GLU A 16 -5.468 7.967 7.451 1.00 0.00 O ATOM 0 H GLU A 16 -7.235 4.468 3.807 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.803 4.317 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.660 5.259 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.086 4.932 7.392 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.896 7.023 5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.086 7.362 6.770 1.00 0.00 H new ATOM 222 N LYS A 17 -7.925 2.310 4.956 1.00 0.00 N ATOM 223 CA LYS A 17 -8.378 0.921 4.969 1.00 0.00 C ATOM 224 C LYS A 17 -7.204 0.029 4.598 1.00 0.00 C ATOM 225 O LYS A 17 -6.258 0.469 3.950 1.00 0.00 O ATOM 226 CB LYS A 17 -9.612 0.719 4.076 1.00 0.00 C ATOM 227 CG LYS A 17 -9.263 0.589 2.594 1.00 0.00 C ATOM 228 CD LYS A 17 -10.476 0.585 1.660 1.00 0.00 C ATOM 229 CE LYS A 17 -11.204 1.938 1.660 1.00 0.00 C ATOM 230 NZ LYS A 17 -12.627 1.800 2.025 1.00 0.00 N ATOM 0 H LYS A 17 -8.124 2.806 4.087 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.712 0.642 5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.144 -0.176 4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.292 1.560 4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.606 1.412 2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.701 -0.333 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.153 0.347 0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.168 -0.199 1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.714 2.613 2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.125 2.392 0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.081 2.736 2.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.102 1.176 1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.703 1.391 2.978 1.00 0.00 H new ATOM 244 N LEU A 18 -7.266 -1.235 4.987 1.00 0.00 N ATOM 245 CA LEU A 18 -6.223 -2.191 4.694 1.00 0.00 C ATOM 246 C LEU A 18 -6.491 -2.697 3.288 1.00 0.00 C ATOM 247 O LEU A 18 -7.416 -3.489 3.086 1.00 0.00 O ATOM 248 CB LEU A 18 -6.205 -3.317 5.739 1.00 0.00 C ATOM 249 CG LEU A 18 -6.324 -2.871 7.206 1.00 0.00 C ATOM 250 CD1 LEU A 18 -6.193 -4.109 8.095 1.00 0.00 C ATOM 251 CD2 LEU A 18 -5.292 -1.803 7.576 1.00 0.00 C ATOM 0 H LEU A 18 -8.047 -1.623 5.517 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.232 -1.739 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.023 -4.003 5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.278 -3.879 5.624 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.297 -2.404 7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.275 -3.816 9.142 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.987 -4.816 7.853 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.224 -4.579 7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.418 -1.522 8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.288 -2.200 7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.434 -0.926 6.945 1.00 0.00 H new ATOM 263 N ASN A 19 -5.731 -2.210 2.306 1.00 0.00 N ATOM 264 CA ASN A 19 -5.962 -2.534 0.893 1.00 0.00 C ATOM 265 C ASN A 19 -4.700 -2.916 0.124 1.00 0.00 C ATOM 266 O ASN A 19 -4.812 -3.310 -1.036 1.00 0.00 O ATOM 267 CB ASN A 19 -6.677 -1.373 0.183 1.00 0.00 C ATOM 268 CG ASN A 19 -7.944 -1.858 -0.500 1.00 0.00 C ATOM 269 OD1 ASN A 19 -8.873 -2.308 0.170 1.00 0.00 O ATOM 270 ND2 ASN A 19 -8.017 -1.796 -1.819 1.00 0.00 N ATOM 0 H ASN A 19 -4.942 -1.583 2.464 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.596 -3.421 0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.923 -0.595 0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.010 -0.925 -0.553 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.855 -2.125 -2.299 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.236 -1.419 -2.356 1.00 0.00 H new ATOM 277 N TRP A 20 -3.522 -2.831 0.747 1.00 0.00 N ATOM 278 CA TRP A 20 -2.232 -2.972 0.092 1.00 0.00 C ATOM 279 C TRP A 20 -1.463 -4.119 0.739 1.00 0.00 C ATOM 280 O TRP A 20 -1.166 -4.076 1.936 1.00 0.00 O ATOM 281 CB TRP A 20 -1.478 -1.647 0.204 1.00 0.00 C ATOM 282 CG TRP A 20 -2.131 -0.494 -0.489 1.00 0.00 C ATOM 283 CD1 TRP A 20 -3.109 0.300 0.005 1.00 0.00 C ATOM 284 CD2 TRP A 20 -1.822 0.029 -1.808 1.00 0.00 C ATOM 285 NE1 TRP A 20 -3.481 1.217 -0.960 1.00 0.00 N ATOM 286 CE2 TRP A 20 -2.644 1.164 -2.054 1.00 0.00 C ATOM 287 CE3 TRP A 20 -0.892 -0.330 -2.801 1.00 0.00 C ATOM 288 CZ2 TRP A 20 -2.499 1.955 -3.204 1.00 0.00 C ATOM 289 CZ3 TRP A 20 -0.758 0.439 -3.967 1.00 0.00 C ATOM 290 CH2 TRP A 20 -1.542 1.587 -4.165 1.00 0.00 C ATOM 0 H TRP A 20 -3.444 -2.657 1.749 1.00 0.00 H new ATOM 0 HA TRP A 20 -2.355 -3.208 -0.965 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -1.361 -1.400 1.259 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.477 -1.779 -0.205 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.532 0.229 0.996 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -4.274 1.852 -0.874 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.275 -1.206 -2.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.113 2.832 -3.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.043 0.144 -4.721 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -1.410 2.186 -5.054 1.00 0.00 H new ATOM 301 N LEU A 21 -1.162 -5.152 -0.036 1.00 0.00 N ATOM 302 CA LEU A 21 -0.385 -6.323 0.346 1.00 0.00 C ATOM 303 C LEU A 21 1.087 -6.096 0.012 1.00 0.00 C ATOM 304 O LEU A 21 1.405 -5.379 -0.944 1.00 0.00 O ATOM 305 CB LEU A 21 -0.881 -7.524 -0.474 1.00 0.00 C ATOM 306 CG LEU A 21 -2.362 -7.888 -0.260 1.00 0.00 C ATOM 307 CD1 LEU A 21 -2.782 -8.898 -1.315 1.00 0.00 C ATOM 308 CD2 LEU A 21 -2.608 -8.469 1.130 1.00 0.00 C ATOM 0 H LEU A 21 -1.473 -5.197 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.499 -6.503 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.723 -7.313 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.269 -8.392 -0.227 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.953 -6.976 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.830 -9.161 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.650 -8.465 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.168 -9.794 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.665 -8.713 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.012 -9.373 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.323 -7.737 1.886 1.00 0.00 H new ATOM 320 N TYR A 22 1.976 -6.782 0.735 1.00 0.00 N ATOM 321 CA TYR A 22 3.376 -6.916 0.364 1.00 0.00 C ATOM 322 C TYR A 22 3.832 -8.345 0.637 1.00 0.00 C ATOM 323 O TYR A 22 3.295 -9.019 1.516 1.00 0.00 O ATOM 324 CB TYR A 22 4.260 -5.890 1.090 1.00 0.00 C ATOM 325 CG TYR A 22 4.471 -6.090 2.582 1.00 0.00 C ATOM 326 CD1 TYR A 22 5.416 -7.028 3.040 1.00 0.00 C ATOM 327 CD2 TYR A 22 3.799 -5.275 3.511 1.00 0.00 C ATOM 328 CE1 TYR A 22 5.655 -7.173 4.418 1.00 0.00 C ATOM 329 CE2 TYR A 22 4.062 -5.390 4.888 1.00 0.00 C ATOM 330 CZ TYR A 22 4.985 -6.352 5.348 1.00 0.00 C ATOM 331 OH TYR A 22 5.251 -6.488 6.675 1.00 0.00 O ATOM 0 H TYR A 22 1.736 -7.263 1.602 1.00 0.00 H new ATOM 0 HA TYR A 22 3.480 -6.708 -0.701 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.238 -5.885 0.608 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.825 -4.902 0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.958 -7.637 2.332 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.074 -4.554 3.164 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.356 -7.917 4.766 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.558 -4.743 5.591 1.00 0.00 H new ATOM 0 HH TYR A 22 4.709 -5.850 7.184 1.00 0.00 H new ATOM 341 N LYS A 23 4.842 -8.813 -0.099 1.00 0.00 N ATOM 342 CA LYS A 23 5.491 -10.083 0.171 1.00 0.00 C ATOM 343 C LYS A 23 6.639 -9.799 1.126 1.00 0.00 C ATOM 344 O LYS A 23 7.588 -9.108 0.741 1.00 0.00 O ATOM 345 CB LYS A 23 6.023 -10.726 -1.118 1.00 0.00 C ATOM 346 CG LYS A 23 6.044 -12.250 -0.943 1.00 0.00 C ATOM 347 CD LYS A 23 7.185 -12.941 -1.708 1.00 0.00 C ATOM 348 CE LYS A 23 6.642 -13.674 -2.932 1.00 0.00 C ATOM 349 NZ LYS A 23 7.605 -13.735 -4.044 1.00 0.00 N ATOM 0 H LYS A 23 5.229 -8.315 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 23 4.777 -10.784 0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.392 -10.453 -1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.026 -10.358 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.134 -12.484 0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.092 -12.659 -1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.923 -12.201 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.696 -13.646 -1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.362 -14.688 -2.646 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.734 -13.176 -3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.208 -13.250 -4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.491 -13.270 -3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.797 -14.729 -4.283 1.00 0.00 H new ATOM 363 N ASP A 24 6.566 -10.289 2.356 1.00 0.00 N ATOM 364 CA ASP A 24 7.645 -10.123 3.327 1.00 0.00 C ATOM 365 C ASP A 24 8.882 -10.915 2.874 1.00 0.00 C ATOM 366 O ASP A 24 8.779 -11.774 1.985 1.00 0.00 O ATOM 367 CB ASP A 24 7.166 -10.451 4.758 1.00 0.00 C ATOM 368 CG ASP A 24 7.154 -11.920 5.186 1.00 0.00 C ATOM 369 OD1 ASP A 24 7.543 -12.801 4.392 1.00 0.00 O ATOM 370 OD2 ASP A 24 6.772 -12.171 6.355 1.00 0.00 O ATOM 0 H ASP A 24 5.764 -10.810 2.710 1.00 0.00 H new ATOM 0 HA ASP A 24 7.948 -9.077 3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.798 -9.903 5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.154 -10.061 4.871 1.00 0.00 H new ATOM 375 N PRO A 25 10.077 -10.641 3.420 1.00 0.00 N ATOM 376 CA PRO A 25 11.285 -11.323 2.988 1.00 0.00 C ATOM 377 C PRO A 25 11.356 -12.767 3.504 1.00 0.00 C ATOM 378 O PRO A 25 12.272 -13.485 3.101 1.00 0.00 O ATOM 379 CB PRO A 25 12.443 -10.440 3.458 1.00 0.00 C ATOM 380 CG PRO A 25 11.885 -9.706 4.675 1.00 0.00 C ATOM 381 CD PRO A 25 10.379 -9.634 4.426 1.00 0.00 C ATOM 0 HA PRO A 25 11.318 -11.445 1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.318 -11.036 3.719 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.753 -9.742 2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 25 12.109 -10.241 5.598 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.319 -8.711 4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.825 -9.825 5.345 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.090 -8.642 4.080 1.00 0.00 H new ATOM 389 N GLN A 26 10.418 -13.226 4.340 1.00 0.00 N ATOM 390 CA GLN A 26 10.283 -14.632 4.697 1.00 0.00 C ATOM 391 C GLN A 26 9.582 -15.415 3.579 1.00 0.00 C ATOM 392 O GLN A 26 9.749 -16.636 3.523 1.00 0.00 O ATOM 393 CB GLN A 26 9.518 -14.773 6.024 1.00 0.00 C ATOM 394 CG GLN A 26 10.361 -14.424 7.256 1.00 0.00 C ATOM 395 CD GLN A 26 10.081 -13.020 7.784 1.00 0.00 C ATOM 396 OE1 GLN A 26 9.230 -12.836 8.649 1.00 0.00 O ATOM 397 NE2 GLN A 26 10.783 -11.999 7.329 1.00 0.00 N ATOM 0 H GLN A 26 9.728 -12.623 4.788 1.00 0.00 H new ATOM 0 HA GLN A 26 11.280 -15.052 4.825 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.641 -14.127 5.999 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.157 -15.797 6.119 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.163 -15.150 8.044 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.418 -14.508 7.003 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.491 -12.147 6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.617 -11.062 7.696 1.00 0.00 H new ATOM 406 N GLY A 27 8.854 -14.743 2.681 1.00 0.00 N ATOM 407 CA GLY A 27 8.172 -15.321 1.527 1.00 0.00 C ATOM 408 C GLY A 27 6.648 -15.205 1.608 1.00 0.00 C ATOM 409 O GLY A 27 5.949 -15.750 0.752 1.00 0.00 O ATOM 0 H GLY A 27 8.720 -13.734 2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.520 -14.825 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.446 -16.372 1.440 1.00 0.00 H new ATOM 413 N LEU A 28 6.104 -14.539 2.625 1.00 0.00 N ATOM 414 CA LEU A 28 4.691 -14.594 2.977 1.00 0.00 C ATOM 415 C LEU A 28 4.008 -13.315 2.494 1.00 0.00 C ATOM 416 O LEU A 28 4.535 -12.220 2.690 1.00 0.00 O ATOM 417 CB LEU A 28 4.563 -14.752 4.505 1.00 0.00 C ATOM 418 CG LEU A 28 4.876 -16.141 5.097 1.00 0.00 C ATOM 419 CD1 LEU A 28 4.088 -17.268 4.423 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.370 -16.473 5.077 1.00 0.00 C ATOM 0 H LEU A 28 6.648 -13.933 3.239 1.00 0.00 H new ATOM 0 HA LEU A 28 4.206 -15.445 2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.226 -14.026 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.545 -14.485 4.788 1.00 0.00 H new ATOM 0 HG LEU A 28 4.555 -16.076 6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.351 -18.221 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.020 -17.089 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.332 -17.298 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.529 -17.462 5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.732 -16.461 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.915 -15.732 5.662 1.00 0.00 H new ATOM 432 N VAL A 29 2.848 -13.429 1.842 1.00 0.00 N ATOM 433 CA VAL A 29 2.038 -12.283 1.429 1.00 0.00 C ATOM 434 C VAL A 29 1.301 -11.751 2.653 1.00 0.00 C ATOM 435 O VAL A 29 0.225 -12.228 3.030 1.00 0.00 O ATOM 436 CB VAL A 29 1.113 -12.646 0.254 1.00 0.00 C ATOM 437 CG1 VAL A 29 0.191 -11.477 -0.122 1.00 0.00 C ATOM 438 CG2 VAL A 29 1.987 -13.013 -0.958 1.00 0.00 C ATOM 0 H VAL A 29 2.442 -14.328 1.584 1.00 0.00 H new ATOM 0 HA VAL A 29 2.671 -11.483 1.045 1.00 0.00 H new ATOM 0 HB VAL A 29 0.484 -13.485 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.447 -11.771 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.429 -11.213 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.794 -10.617 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.348 -13.274 -1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.613 -12.162 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.620 -13.864 -0.706 1.00 0.00 H new ATOM 448 N GLN A 30 1.920 -10.775 3.306 1.00 0.00 N ATOM 449 CA GLN A 30 1.372 -10.195 4.514 1.00 0.00 C ATOM 450 C GLN A 30 0.345 -9.128 4.184 1.00 0.00 C ATOM 451 O GLN A 30 0.350 -8.524 3.105 1.00 0.00 O ATOM 452 CB GLN A 30 2.466 -9.613 5.423 1.00 0.00 C ATOM 453 CG GLN A 30 3.579 -10.604 5.796 1.00 0.00 C ATOM 454 CD GLN A 30 3.138 -11.885 6.526 1.00 0.00 C ATOM 455 OE1 GLN A 30 1.962 -12.235 6.655 1.00 0.00 O ATOM 456 NE2 GLN A 30 4.103 -12.623 7.035 1.00 0.00 N ATOM 0 H GLN A 30 2.809 -10.370 3.012 1.00 0.00 H new ATOM 0 HA GLN A 30 0.882 -11.002 5.059 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.914 -8.753 4.925 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.002 -9.246 6.339 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.099 -10.893 4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.303 -10.085 6.424 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.076 -12.335 6.929 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.878 -13.483 7.535 1.00 0.00 H new ATOM 465 N GLY A 31 -0.487 -8.845 5.181 1.00 0.00 N ATOM 466 CA GLY A 31 -1.409 -7.743 5.133 1.00 0.00 C ATOM 467 C GLY A 31 -2.805 -8.222 4.743 1.00 0.00 C ATOM 468 O GLY A 31 -3.153 -9.383 4.981 1.00 0.00 O ATOM 0 H GLY A 31 -0.532 -9.384 6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.446 -7.252 6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.060 -7.002 4.414 1.00 0.00 H new ATOM 472 N PRO A 32 -3.637 -7.336 4.182 1.00 0.00 N ATOM 473 CA PRO A 32 -3.242 -6.025 3.697 1.00 0.00 C ATOM 474 C PRO A 32 -2.962 -5.053 4.842 1.00 0.00 C ATOM 475 O PRO A 32 -3.222 -5.333 6.013 1.00 0.00 O ATOM 476 CB PRO A 32 -4.381 -5.600 2.778 1.00 0.00 C ATOM 477 CG PRO A 32 -5.605 -6.265 3.400 1.00 0.00 C ATOM 478 CD PRO A 32 -5.037 -7.589 3.896 1.00 0.00 C ATOM 0 HA PRO A 32 -2.297 -6.039 3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.487 -4.516 2.744 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.218 -5.936 1.754 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.022 -5.671 4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.402 -6.412 2.672 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.563 -7.931 4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.148 -8.369 3.142 1.00 0.00 H new ATOM 486 N PHE A 33 -2.392 -3.915 4.486 1.00 0.00 N ATOM 487 CA PHE A 33 -2.094 -2.776 5.333 1.00 0.00 C ATOM 488 C PHE A 33 -2.628 -1.534 4.608 1.00 0.00 C ATOM 489 O PHE A 33 -2.939 -1.600 3.408 1.00 0.00 O ATOM 490 CB PHE A 33 -0.576 -2.708 5.552 1.00 0.00 C ATOM 491 CG PHE A 33 0.030 -3.930 6.225 1.00 0.00 C ATOM 492 CD1 PHE A 33 0.026 -4.032 7.628 1.00 0.00 C ATOM 493 CD2 PHE A 33 0.618 -4.961 5.461 1.00 0.00 C ATOM 494 CE1 PHE A 33 0.615 -5.142 8.262 1.00 0.00 C ATOM 495 CE2 PHE A 33 1.192 -6.074 6.098 1.00 0.00 C ATOM 496 CZ PHE A 33 1.195 -6.168 7.498 1.00 0.00 C ATOM 0 H PHE A 33 -2.103 -3.752 3.521 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.562 -2.850 6.315 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.091 -2.565 4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.350 -1.829 6.156 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.431 -3.254 8.222 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.627 -4.894 4.383 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.621 -5.205 9.340 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.634 -6.862 5.506 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.640 -7.023 7.985 1.00 0.00 H new ATOM 506 N SER A 34 -2.780 -0.418 5.318 1.00 0.00 N ATOM 507 CA SER A 34 -3.130 0.848 4.681 1.00 0.00 C ATOM 508 C SER A 34 -1.881 1.578 4.179 1.00 0.00 C ATOM 509 O SER A 34 -0.763 1.308 4.628 1.00 0.00 O ATOM 510 CB SER A 34 -3.925 1.711 5.661 1.00 0.00 C ATOM 511 OG SER A 34 -3.123 2.149 6.739 1.00 0.00 O ATOM 0 H SER A 34 -2.667 -0.365 6.330 1.00 0.00 H new ATOM 0 HA SER A 34 -3.753 0.646 3.809 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.334 2.575 5.137 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.771 1.141 6.045 1.00 0.00 H new ATOM 0 HG SER A 34 -3.662 2.699 7.345 1.00 0.00 H new ATOM 517 N LEU A 35 -2.065 2.568 3.305 1.00 0.00 N ATOM 518 CA LEU A 35 -0.995 3.452 2.859 1.00 0.00 C ATOM 519 C LEU A 35 -0.439 4.263 4.020 1.00 0.00 C ATOM 520 O LEU A 35 0.735 4.619 3.988 1.00 0.00 O ATOM 521 CB LEU A 35 -1.469 4.434 1.768 1.00 0.00 C ATOM 522 CG LEU A 35 -1.693 3.830 0.377 1.00 0.00 C ATOM 523 CD1 LEU A 35 -1.952 4.948 -0.642 1.00 0.00 C ATOM 524 CD2 LEU A 35 -0.478 3.034 -0.103 1.00 0.00 C ATOM 0 H LEU A 35 -2.970 2.778 2.885 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.221 2.807 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.401 4.892 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.734 5.234 1.682 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.550 3.161 0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.110 4.512 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.838 5.511 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.092 5.617 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.680 2.624 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.391 3.691 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.278 2.220 0.594 1.00 0.00 H new ATOM 536 N THR A 36 -1.244 4.599 5.028 1.00 0.00 N ATOM 537 CA THR A 36 -0.750 5.348 6.176 1.00 0.00 C ATOM 538 C THR A 36 0.109 4.439 7.056 1.00 0.00 C ATOM 539 O THR A 36 1.177 4.862 7.500 1.00 0.00 O ATOM 540 CB THR A 36 -1.933 6.010 6.898 1.00 0.00 C ATOM 541 OG1 THR A 36 -2.695 6.730 5.946 1.00 0.00 O ATOM 542 CG2 THR A 36 -1.528 7.049 7.935 1.00 0.00 C ATOM 0 H THR A 36 -2.236 4.364 5.070 1.00 0.00 H new ATOM 0 HA THR A 36 -0.093 6.161 5.867 1.00 0.00 H new ATOM 0 HB THR A 36 -2.466 5.197 7.392 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.517 6.237 5.744 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.421 7.468 8.398 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.910 6.578 8.699 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.963 7.845 7.451 1.00 0.00 H new ATOM 550 N GLN A 37 -0.282 3.171 7.238 1.00 0.00 N ATOM 551 CA GLN A 37 0.530 2.213 7.974 1.00 0.00 C ATOM 552 C GLN A 37 1.871 2.005 7.261 1.00 0.00 C ATOM 553 O GLN A 37 2.931 2.065 7.888 1.00 0.00 O ATOM 554 CB GLN A 37 -0.219 0.877 8.128 1.00 0.00 C ATOM 555 CG GLN A 37 -1.359 0.975 9.153 1.00 0.00 C ATOM 556 CD GLN A 37 -2.259 -0.261 9.196 1.00 0.00 C ATOM 557 OE1 GLN A 37 -2.066 -1.247 8.482 1.00 0.00 O ATOM 558 NE2 GLN A 37 -3.271 -0.223 10.046 1.00 0.00 N ATOM 0 H GLN A 37 -1.159 2.791 6.882 1.00 0.00 H new ATOM 0 HA GLN A 37 0.724 2.609 8.971 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.624 0.574 7.162 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.482 0.101 8.437 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.932 1.137 10.143 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.968 1.849 8.922 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.416 0.601 10.630 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.906 -1.018 10.118 1.00 0.00 H new ATOM 567 N LEU A 38 1.825 1.743 5.953 1.00 0.00 N ATOM 568 CA LEU A 38 2.994 1.433 5.134 1.00 0.00 C ATOM 569 C LEU A 38 3.910 2.639 5.008 1.00 0.00 C ATOM 570 O LEU A 38 5.120 2.487 5.156 1.00 0.00 O ATOM 571 CB LEU A 38 2.547 0.970 3.740 1.00 0.00 C ATOM 572 CG LEU A 38 1.831 -0.389 3.771 1.00 0.00 C ATOM 573 CD1 LEU A 38 0.991 -0.558 2.503 1.00 0.00 C ATOM 574 CD2 LEU A 38 2.813 -1.558 3.916 1.00 0.00 C ATOM 0 H LEU A 38 0.953 1.741 5.424 1.00 0.00 H new ATOM 0 HA LEU A 38 3.549 0.633 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.881 1.718 3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.417 0.903 3.087 1.00 0.00 H new ATOM 0 HG LEU A 38 1.183 -0.403 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.484 -1.523 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.250 0.240 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.639 -0.511 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.260 -2.497 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.504 -1.559 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.373 -1.450 4.845 1.00 0.00 H new ATOM 586 N LYS A 39 3.361 3.831 4.762 1.00 0.00 N ATOM 587 CA LYS A 39 4.154 5.049 4.745 1.00 0.00 C ATOM 588 C LYS A 39 4.851 5.250 6.077 1.00 0.00 C ATOM 589 O LYS A 39 6.039 5.549 6.056 1.00 0.00 O ATOM 590 CB LYS A 39 3.319 6.261 4.344 1.00 0.00 C ATOM 591 CG LYS A 39 4.232 7.494 4.343 1.00 0.00 C ATOM 592 CD LYS A 39 3.838 8.562 3.319 1.00 0.00 C ATOM 593 CE LYS A 39 2.910 9.632 3.905 1.00 0.00 C ATOM 594 NZ LYS A 39 3.586 10.444 4.940 1.00 0.00 N ATOM 0 H LYS A 39 2.369 3.972 4.572 1.00 0.00 H new ATOM 0 HA LYS A 39 4.925 4.941 3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.882 6.111 3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.493 6.401 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.224 7.939 5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.255 7.175 4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.739 9.040 2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.345 8.083 2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.558 10.284 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.031 9.153 4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.104 11.361 5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.552 9.943 5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.577 10.599 4.667 1.00 0.00 H new ATOM 608 N ALA A 40 4.165 5.069 7.210 1.00 0.00 N ATOM 609 CA ALA A 40 4.806 5.283 8.504 1.00 0.00 C ATOM 610 C ALA A 40 6.030 4.384 8.682 1.00 0.00 C ATOM 611 O ALA A 40 7.026 4.789 9.280 1.00 0.00 O ATOM 612 CB ALA A 40 3.831 4.995 9.651 1.00 0.00 C ATOM 0 H ALA A 40 3.188 4.781 7.255 1.00 0.00 H new ATOM 0 HA ALA A 40 5.117 6.327 8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.332 5.161 10.605 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.970 5.659 9.572 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.497 3.959 9.593 1.00 0.00 H new ATOM 618 N TRP A 41 5.944 3.149 8.187 1.00 0.00 N ATOM 619 CA TRP A 41 7.047 2.212 8.230 1.00 0.00 C ATOM 620 C TRP A 41 8.155 2.605 7.253 1.00 0.00 C ATOM 621 O TRP A 41 9.319 2.541 7.629 1.00 0.00 O ATOM 622 CB TRP A 41 6.515 0.803 7.972 1.00 0.00 C ATOM 623 CG TRP A 41 5.797 0.146 9.114 1.00 0.00 C ATOM 624 CD1 TRP A 41 6.059 0.308 10.432 1.00 0.00 C ATOM 625 CD2 TRP A 41 4.663 -0.762 9.057 1.00 0.00 C ATOM 626 NE1 TRP A 41 5.218 -0.487 11.179 1.00 0.00 N ATOM 627 CE2 TRP A 41 4.314 -1.149 10.383 1.00 0.00 C ATOM 628 CE3 TRP A 41 3.854 -1.247 8.014 1.00 0.00 C ATOM 629 CZ2 TRP A 41 3.202 -1.954 10.658 1.00 0.00 C ATOM 630 CZ3 TRP A 41 2.729 -2.047 8.276 1.00 0.00 C ATOM 631 CH2 TRP A 41 2.400 -2.398 9.597 1.00 0.00 C ATOM 0 H TRP A 41 5.103 2.778 7.746 1.00 0.00 H new ATOM 0 HA TRP A 41 7.502 2.233 9.220 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.837 0.844 7.119 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.353 0.168 7.683 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.815 0.963 10.838 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.261 -0.573 12.194 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.102 -1.000 6.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.965 -2.230 11.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.114 -2.394 7.459 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.531 -3.008 9.794 1.00 0.00 H new ATOM 642 N SER A 42 7.819 3.026 6.033 1.00 0.00 N ATOM 643 CA SER A 42 8.783 3.516 5.052 1.00 0.00 C ATOM 644 C SER A 42 9.537 4.728 5.608 1.00 0.00 C ATOM 645 O SER A 42 10.759 4.802 5.482 1.00 0.00 O ATOM 646 CB SER A 42 8.023 3.861 3.763 1.00 0.00 C ATOM 647 OG SER A 42 8.884 4.251 2.710 1.00 0.00 O ATOM 0 H SER A 42 6.856 3.036 5.696 1.00 0.00 H new ATOM 0 HA SER A 42 9.528 2.751 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.439 2.996 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.317 4.666 3.967 1.00 0.00 H new ATOM 0 HG SER A 42 8.375 4.304 1.874 1.00 0.00 H new ATOM 653 N ASP A 43 8.806 5.669 6.213 1.00 0.00 N ATOM 654 CA ASP A 43 9.295 6.919 6.790 1.00 0.00 C ATOM 655 C ASP A 43 10.418 6.599 7.776 1.00 0.00 C ATOM 656 O ASP A 43 11.562 7.018 7.577 1.00 0.00 O ATOM 657 CB ASP A 43 8.115 7.669 7.434 1.00 0.00 C ATOM 658 CG ASP A 43 8.431 9.113 7.817 1.00 0.00 C ATOM 659 OD1 ASP A 43 9.506 9.393 8.377 1.00 0.00 O ATOM 660 OD2 ASP A 43 7.573 9.987 7.534 1.00 0.00 O ATOM 0 H ASP A 43 7.796 5.570 6.318 1.00 0.00 H new ATOM 0 HA ASP A 43 9.713 7.577 6.028 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.273 7.664 6.742 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.798 7.129 8.326 1.00 0.00 H new ATOM 665 N ALA A 44 10.093 5.748 8.752 1.00 0.00 N ATOM 666 CA ALA A 44 10.955 5.204 9.791 1.00 0.00 C ATOM 667 C ALA A 44 11.899 4.078 9.319 1.00 0.00 C ATOM 668 O ALA A 44 12.512 3.414 10.156 1.00 0.00 O ATOM 669 CB ALA A 44 10.035 4.713 10.914 1.00 0.00 C ATOM 0 H ALA A 44 9.140 5.396 8.838 1.00 0.00 H new ATOM 0 HA ALA A 44 11.631 5.991 10.125 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.637 4.294 11.721 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.448 5.549 11.295 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.364 3.946 10.526 1.00 0.00 H new ATOM 675 N GLU A 45 12.035 3.836 8.013 1.00 0.00 N ATOM 676 CA GLU A 45 12.927 2.841 7.412 1.00 0.00 C ATOM 677 C GLU A 45 12.794 1.416 7.999 1.00 0.00 C ATOM 678 O GLU A 45 13.777 0.676 8.106 1.00 0.00 O ATOM 679 CB GLU A 45 14.381 3.361 7.394 1.00 0.00 C ATOM 680 CG GLU A 45 14.574 4.565 6.460 1.00 0.00 C ATOM 681 CD GLU A 45 16.008 4.623 5.926 1.00 0.00 C ATOM 682 OE1 GLU A 45 16.312 3.896 4.951 1.00 0.00 O ATOM 683 OE2 GLU A 45 16.866 5.344 6.492 1.00 0.00 O ATOM 0 H GLU A 45 11.502 4.352 7.313 1.00 0.00 H new ATOM 0 HA GLU A 45 12.600 2.716 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.674 3.642 8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.046 2.555 7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.875 4.499 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.345 5.486 6.996 1.00 0.00 H new ATOM 690 N TYR A 46 11.582 0.989 8.361 1.00 0.00 N ATOM 691 CA TYR A 46 11.289 -0.390 8.770 1.00 0.00 C ATOM 692 C TYR A 46 11.416 -1.403 7.621 1.00 0.00 C ATOM 693 O TYR A 46 11.412 -2.602 7.898 1.00 0.00 O ATOM 694 CB TYR A 46 9.868 -0.487 9.341 1.00 0.00 C ATOM 695 CG TYR A 46 9.740 -0.081 10.791 1.00 0.00 C ATOM 696 CD1 TYR A 46 9.963 -1.024 11.806 1.00 0.00 C ATOM 697 CD2 TYR A 46 9.372 1.227 11.130 1.00 0.00 C ATOM 698 CE1 TYR A 46 9.839 -0.666 13.156 1.00 0.00 C ATOM 699 CE2 TYR A 46 9.214 1.596 12.479 1.00 0.00 C ATOM 700 CZ TYR A 46 9.466 0.651 13.502 1.00 0.00 C ATOM 701 OH TYR A 46 9.348 1.017 14.807 1.00 0.00 O ATOM 0 H TYR A 46 10.764 1.598 8.379 1.00 0.00 H new ATOM 0 HA TYR A 46 12.033 -0.641 9.526 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.207 0.140 8.743 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.517 -1.513 9.233 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.233 -2.036 11.545 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.208 1.957 10.351 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.028 -1.396 13.929 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.901 2.598 12.733 1.00 0.00 H new ATOM 0 HH TYR A 46 9.085 1.959 14.860 1.00 0.00 H new ATOM 711 N PHE A 47 11.509 -0.968 6.362 1.00 0.00 N ATOM 712 CA PHE A 47 11.426 -1.811 5.177 1.00 0.00 C ATOM 713 C PHE A 47 12.773 -1.773 4.443 1.00 0.00 C ATOM 714 O PHE A 47 13.837 -1.697 5.068 1.00 0.00 O ATOM 715 CB PHE A 47 10.215 -1.368 4.321 1.00 0.00 C ATOM 716 CG PHE A 47 8.835 -1.683 4.873 1.00 0.00 C ATOM 717 CD1 PHE A 47 8.552 -2.962 5.395 1.00 0.00 C ATOM 718 CD2 PHE A 47 7.791 -0.743 4.740 1.00 0.00 C ATOM 719 CE1 PHE A 47 7.242 -3.300 5.769 1.00 0.00 C ATOM 720 CE2 PHE A 47 6.477 -1.089 5.101 1.00 0.00 C ATOM 721 CZ PHE A 47 6.203 -2.370 5.614 1.00 0.00 C ATOM 0 H PHE A 47 11.649 0.017 6.137 1.00 0.00 H new ATOM 0 HA PHE A 47 11.247 -2.855 5.433 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.282 -0.291 4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.303 -1.835 3.340 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.347 -3.685 5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.002 0.246 4.360 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.033 -4.278 6.177 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.678 -0.372 4.985 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.193 -2.637 5.888 1.00 0.00 H new ATOM 731 N THR A 48 12.746 -1.891 3.116 1.00 0.00 N ATOM 732 CA THR A 48 13.920 -1.884 2.269 1.00 0.00 C ATOM 733 C THR A 48 13.724 -0.835 1.179 1.00 0.00 C ATOM 734 O THR A 48 12.597 -0.417 0.896 1.00 0.00 O ATOM 735 CB THR A 48 14.188 -3.309 1.744 1.00 0.00 C ATOM 736 OG1 THR A 48 13.184 -3.759 0.858 1.00 0.00 O ATOM 737 CG2 THR A 48 14.264 -4.333 2.883 1.00 0.00 C ATOM 0 H THR A 48 11.877 -1.997 2.593 1.00 0.00 H new ATOM 0 HA THR A 48 14.817 -1.601 2.820 1.00 0.00 H new ATOM 0 HB THR A 48 15.143 -3.238 1.223 1.00 0.00 H new ATOM 0 HG1 THR A 48 13.400 -4.665 0.552 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.454 -5.324 2.470 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.072 -4.062 3.562 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.320 -4.342 3.428 1.00 0.00 H new ATOM 745 N LYS A 49 14.812 -0.379 0.557 1.00 0.00 N ATOM 746 CA LYS A 49 14.736 0.522 -0.588 1.00 0.00 C ATOM 747 C LYS A 49 13.981 -0.169 -1.721 1.00 0.00 C ATOM 748 O LYS A 49 13.011 0.378 -2.239 1.00 0.00 O ATOM 749 CB LYS A 49 16.132 0.968 -1.014 1.00 0.00 C ATOM 750 CG LYS A 49 16.720 1.971 -0.013 1.00 0.00 C ATOM 751 CD LYS A 49 18.130 2.326 -0.472 1.00 0.00 C ATOM 752 CE LYS A 49 18.849 3.281 0.486 1.00 0.00 C ATOM 753 NZ LYS A 49 18.459 4.689 0.301 1.00 0.00 N ATOM 0 H LYS A 49 15.763 -0.623 0.832 1.00 0.00 H new ATOM 0 HA LYS A 49 14.188 1.424 -0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.787 0.100 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.086 1.422 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.100 2.866 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.743 1.541 0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.715 1.412 -0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.080 2.782 -1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.637 2.984 1.513 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.925 3.187 0.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.979 5.285 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.686 4.987 -0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.437 4.790 0.464 1.00 0.00 H new ATOM 767 N GLN A 50 14.402 -1.375 -2.109 1.00 0.00 N ATOM 768 CA GLN A 50 13.888 -2.101 -3.268 1.00 0.00 C ATOM 769 C GLN A 50 12.539 -2.827 -2.996 1.00 0.00 C ATOM 770 O GLN A 50 12.275 -3.898 -3.557 1.00 0.00 O ATOM 771 CB GLN A 50 14.988 -3.017 -3.840 1.00 0.00 C ATOM 772 CG GLN A 50 16.129 -2.252 -4.551 1.00 0.00 C ATOM 773 CD GLN A 50 17.426 -2.149 -3.745 1.00 0.00 C ATOM 774 OE1 GLN A 50 18.159 -3.127 -3.579 1.00 0.00 O ATOM 775 NE2 GLN A 50 17.772 -0.968 -3.265 1.00 0.00 N ATOM 0 H GLN A 50 15.130 -1.886 -1.610 1.00 0.00 H new ATOM 0 HA GLN A 50 13.632 -1.373 -4.038 1.00 0.00 H new ATOM 0 HB2 GLN A 50 15.411 -3.611 -3.030 1.00 0.00 H new ATOM 0 HB3 GLN A 50 14.537 -3.715 -4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 50 16.344 -2.745 -5.499 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.782 -1.246 -4.787 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.163 -0.162 -3.405 1.00 0.00 H new ATOM 0 HE22 GLN A 50 18.649 -0.862 -2.755 1.00 0.00 H new ATOM 784 N PHE A 51 11.653 -2.249 -2.186 1.00 0.00 N ATOM 785 CA PHE A 51 10.429 -2.860 -1.667 1.00 0.00 C ATOM 786 C PHE A 51 9.236 -2.548 -2.581 1.00 0.00 C ATOM 787 O PHE A 51 9.150 -1.459 -3.155 1.00 0.00 O ATOM 788 CB PHE A 51 10.191 -2.296 -0.258 1.00 0.00 C ATOM 789 CG PHE A 51 9.186 -3.031 0.605 1.00 0.00 C ATOM 790 CD1 PHE A 51 7.823 -2.686 0.557 1.00 0.00 C ATOM 791 CD2 PHE A 51 9.625 -4.013 1.514 1.00 0.00 C ATOM 792 CE1 PHE A 51 6.910 -3.286 1.439 1.00 0.00 C ATOM 793 CE2 PHE A 51 8.710 -4.619 2.391 1.00 0.00 C ATOM 794 CZ PHE A 51 7.359 -4.237 2.369 1.00 0.00 C ATOM 0 H PHE A 51 11.776 -1.292 -1.857 1.00 0.00 H new ATOM 0 HA PHE A 51 10.534 -3.944 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.145 -2.280 0.268 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.864 -1.261 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.478 -1.957 -0.161 1.00 0.00 H new ATOM 0 HD2 PHE A 51 10.666 -4.300 1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.865 -3.017 1.402 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.046 -5.378 3.082 1.00 0.00 H new ATOM 0 HZ PHE A 51 6.664 -4.676 3.069 1.00 0.00 H new ATOM 804 N ARG A 52 8.275 -3.472 -2.701 1.00 0.00 N ATOM 805 CA ARG A 52 7.091 -3.319 -3.544 1.00 0.00 C ATOM 806 C ARG A 52 5.794 -3.639 -2.811 1.00 0.00 C ATOM 807 O ARG A 52 5.815 -4.313 -1.779 1.00 0.00 O ATOM 808 CB ARG A 52 7.233 -4.227 -4.771 1.00 0.00 C ATOM 809 CG ARG A 52 8.305 -3.732 -5.750 1.00 0.00 C ATOM 810 CD ARG A 52 9.541 -4.639 -5.799 1.00 0.00 C ATOM 811 NE ARG A 52 10.254 -4.566 -7.089 1.00 0.00 N ATOM 812 CZ ARG A 52 9.836 -5.077 -8.259 1.00 0.00 C ATOM 813 NH1 ARG A 52 8.637 -5.640 -8.377 1.00 0.00 N ATOM 814 NH2 ARG A 52 10.610 -5.026 -9.330 1.00 0.00 N ATOM 0 H ARG A 52 8.302 -4.362 -2.204 1.00 0.00 H new ATOM 0 HA ARG A 52 7.031 -2.272 -3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.483 -5.236 -4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.275 -4.287 -5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.873 -3.663 -6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.612 -2.726 -5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.223 -4.359 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.237 -5.669 -5.615 1.00 0.00 H new ATOM 0 HE ARG A 52 11.151 -4.081 -7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.015 -5.690 -7.570 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.339 -6.022 -9.275 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.533 -4.596 -9.272 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.284 -5.417 -10.214 1.00 0.00 H new ATOM 828 N VAL A 53 4.672 -3.196 -3.375 1.00 0.00 N ATOM 829 CA VAL A 53 3.317 -3.358 -2.844 1.00 0.00 C ATOM 830 C VAL A 53 2.334 -3.568 -3.997 1.00 0.00 C ATOM 831 O VAL A 53 2.602 -3.099 -5.110 1.00 0.00 O ATOM 832 CB VAL A 53 2.928 -2.112 -2.019 1.00 0.00 C ATOM 833 CG1 VAL A 53 3.688 -2.087 -0.690 1.00 0.00 C ATOM 834 CG2 VAL A 53 3.176 -0.779 -2.743 1.00 0.00 C ATOM 0 H VAL A 53 4.682 -2.688 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 53 3.283 -4.231 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 53 1.854 -2.203 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.400 -1.202 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.445 -2.981 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.760 -2.061 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.877 0.047 -2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.235 -0.687 -2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.592 -0.750 -3.663 1.00 0.00 H new ATOM 844 N TRP A 54 1.200 -4.228 -3.744 1.00 0.00 N ATOM 845 CA TRP A 54 0.101 -4.370 -4.696 1.00 0.00 C ATOM 846 C TRP A 54 -1.238 -4.392 -3.965 1.00 0.00 C ATOM 847 O TRP A 54 -1.289 -4.671 -2.769 1.00 0.00 O ATOM 848 CB TRP A 54 0.300 -5.627 -5.558 1.00 0.00 C ATOM 849 CG TRP A 54 0.263 -6.957 -4.875 1.00 0.00 C ATOM 850 CD1 TRP A 54 -0.746 -7.843 -4.993 1.00 0.00 C ATOM 851 CD2 TRP A 54 1.277 -7.612 -4.050 1.00 0.00 C ATOM 852 NE1 TRP A 54 -0.481 -8.953 -4.221 1.00 0.00 N ATOM 853 CE2 TRP A 54 0.766 -8.877 -3.636 1.00 0.00 C ATOM 854 CE3 TRP A 54 2.594 -7.296 -3.648 1.00 0.00 C ATOM 855 CZ2 TRP A 54 1.512 -9.750 -2.831 1.00 0.00 C ATOM 856 CZ3 TRP A 54 3.360 -8.184 -2.868 1.00 0.00 C ATOM 857 CH2 TRP A 54 2.807 -9.402 -2.427 1.00 0.00 C ATOM 0 H TRP A 54 1.019 -4.687 -2.851 1.00 0.00 H new ATOM 0 HA TRP A 54 0.096 -3.509 -5.364 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.468 -5.627 -6.332 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.262 -5.537 -6.063 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.628 -7.704 -5.600 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.126 -9.733 -4.097 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.024 -6.351 -3.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.087 -10.693 -2.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.377 -7.930 -2.607 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.375 -10.059 -1.785 1.00 0.00 H new ATOM 868 N MET A 55 -2.323 -4.086 -4.673 1.00 0.00 N ATOM 869 CA MET A 55 -3.668 -4.127 -4.108 1.00 0.00 C ATOM 870 C MET A 55 -4.161 -5.565 -3.913 1.00 0.00 C ATOM 871 O MET A 55 -3.666 -6.508 -4.546 1.00 0.00 O ATOM 872 CB MET A 55 -4.622 -3.310 -4.995 1.00 0.00 C ATOM 873 CG MET A 55 -4.449 -1.825 -4.709 1.00 0.00 C ATOM 874 SD MET A 55 -5.458 -0.762 -5.765 1.00 0.00 S ATOM 875 CE MET A 55 -4.594 0.752 -5.329 1.00 0.00 C ATOM 0 H MET A 55 -2.294 -3.803 -5.653 1.00 0.00 H new ATOM 0 HA MET A 55 -3.644 -3.678 -3.115 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.419 -3.513 -6.046 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.653 -3.608 -4.806 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.702 -1.633 -3.666 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.400 -1.559 -4.837 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.103 1.604 -5.780 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.585 0.867 -4.245 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.569 0.705 -5.697 1.00 0.00 H new ATOM 885 N THR A 56 -5.165 -5.737 -3.045 1.00 0.00 N ATOM 886 CA THR A 56 -5.802 -7.028 -2.838 1.00 0.00 C ATOM 887 C THR A 56 -6.427 -7.549 -4.144 1.00 0.00 C ATOM 888 O THR A 56 -6.812 -6.764 -5.011 1.00 0.00 O ATOM 889 CB THR A 56 -6.848 -6.916 -1.720 1.00 0.00 C ATOM 890 OG1 THR A 56 -7.960 -6.124 -2.099 1.00 0.00 O ATOM 891 CG2 THR A 56 -6.315 -6.395 -0.386 1.00 0.00 C ATOM 0 H THR A 56 -5.551 -4.986 -2.473 1.00 0.00 H new ATOM 0 HA THR A 56 -5.046 -7.752 -2.532 1.00 0.00 H new ATOM 0 HB THR A 56 -7.155 -7.951 -1.566 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.600 -6.082 -1.358 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.128 -6.352 0.339 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.537 -7.064 -0.019 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.899 -5.397 -0.525 1.00 0.00 H new ATOM 899 N GLY A 57 -6.567 -8.868 -4.281 1.00 0.00 N ATOM 900 CA GLY A 57 -7.133 -9.551 -5.437 1.00 0.00 C ATOM 901 C GLY A 57 -6.182 -9.605 -6.633 1.00 0.00 C ATOM 902 O GLY A 57 -6.156 -10.613 -7.337 1.00 0.00 O ATOM 0 H GLY A 57 -6.273 -9.518 -3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.406 -10.567 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.052 -9.046 -5.735 1.00 0.00 H new ATOM 906 N GLU A 58 -5.388 -8.559 -6.863 1.00 0.00 N ATOM 907 CA GLU A 58 -4.521 -8.446 -8.029 1.00 0.00 C ATOM 908 C GLU A 58 -3.341 -9.418 -7.985 1.00 0.00 C ATOM 909 O GLU A 58 -3.084 -10.067 -6.964 1.00 0.00 O ATOM 910 CB GLU A 58 -4.050 -6.987 -8.156 1.00 0.00 C ATOM 911 CG GLU A 58 -5.087 -6.123 -8.882 1.00 0.00 C ATOM 912 CD GLU A 58 -5.009 -6.344 -10.396 1.00 0.00 C ATOM 913 OE1 GLU A 58 -5.275 -7.476 -10.857 1.00 0.00 O ATOM 914 OE2 GLU A 58 -4.605 -5.397 -11.114 1.00 0.00 O ATOM 0 H GLU A 58 -5.330 -7.758 -6.235 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.093 -8.725 -8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.863 -6.576 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.105 -6.955 -8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.087 -6.368 -8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.916 -5.071 -8.653 1.00 0.00 H new ATOM 921 N SER A 59 -2.605 -9.523 -9.094 1.00 0.00 N ATOM 922 CA SER A 59 -1.391 -10.319 -9.134 1.00 0.00 C ATOM 923 C SER A 59 -0.303 -9.610 -8.337 1.00 0.00 C ATOM 924 O SER A 59 -0.171 -8.386 -8.379 1.00 0.00 O ATOM 925 CB SER A 59 -0.923 -10.540 -10.576 1.00 0.00 C ATOM 926 OG SER A 59 0.056 -11.556 -10.617 1.00 0.00 O ATOM 0 H SER A 59 -2.835 -9.063 -9.975 1.00 0.00 H new ATOM 0 HA SER A 59 -1.597 -11.295 -8.695 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.771 -10.815 -11.204 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.514 -9.614 -10.980 1.00 0.00 H new ATOM 0 HG SER A 59 0.348 -11.692 -11.543 1.00 0.00 H new ATOM 932 N MET A 60 0.541 -10.411 -7.692 1.00 0.00 N ATOM 933 CA MET A 60 1.745 -9.949 -7.028 1.00 0.00 C ATOM 934 C MET A 60 2.702 -9.289 -8.016 1.00 0.00 C ATOM 935 O MET A 60 3.383 -8.324 -7.682 1.00 0.00 O ATOM 936 CB MET A 60 2.422 -11.166 -6.410 1.00 0.00 C ATOM 937 CG MET A 60 3.633 -10.760 -5.581 1.00 0.00 C ATOM 938 SD MET A 60 4.830 -12.097 -5.343 1.00 0.00 S ATOM 939 CE MET A 60 3.753 -13.431 -4.729 1.00 0.00 C ATOM 0 H MET A 60 0.399 -11.418 -7.618 1.00 0.00 H new ATOM 0 HA MET A 60 1.484 -9.209 -6.272 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.710 -11.701 -5.781 1.00 0.00 H new ATOM 0 HB3 MET A 60 2.731 -11.853 -7.198 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.130 -9.921 -6.067 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.294 -10.409 -4.606 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.363 -14.286 -4.437 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.189 -13.076 -3.866 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.061 -13.731 -5.516 1.00 0.00 H new ATOM 949 N GLU A 61 2.813 -9.842 -9.219 1.00 0.00 N ATOM 950 CA GLU A 61 3.712 -9.311 -10.236 1.00 0.00 C ATOM 951 C GLU A 61 3.258 -7.947 -10.751 1.00 0.00 C ATOM 952 O GLU A 61 4.099 -7.140 -11.146 1.00 0.00 O ATOM 953 CB GLU A 61 3.863 -10.317 -11.375 1.00 0.00 C ATOM 954 CG GLU A 61 5.061 -11.230 -11.082 1.00 0.00 C ATOM 955 CD GLU A 61 5.433 -12.085 -12.285 1.00 0.00 C ATOM 956 OE1 GLU A 61 4.681 -13.034 -12.602 1.00 0.00 O ATOM 957 OE2 GLU A 61 6.487 -11.816 -12.901 1.00 0.00 O ATOM 0 H GLU A 61 2.287 -10.664 -9.515 1.00 0.00 H new ATOM 0 HA GLU A 61 4.687 -9.156 -9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.954 -10.910 -11.476 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.010 -9.795 -12.321 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.917 -10.622 -10.790 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.826 -11.876 -10.236 1.00 0.00 H new ATOM 964 N SER A 62 1.967 -7.630 -10.647 1.00 0.00 N ATOM 965 CA SER A 62 1.454 -6.302 -10.937 1.00 0.00 C ATOM 966 C SER A 62 1.807 -5.283 -9.835 1.00 0.00 C ATOM 967 O SER A 62 1.356 -4.138 -9.921 1.00 0.00 O ATOM 968 CB SER A 62 -0.056 -6.394 -11.192 1.00 0.00 C ATOM 969 OG SER A 62 -0.321 -7.326 -12.232 1.00 0.00 O ATOM 0 H SER A 62 1.249 -8.294 -10.357 1.00 0.00 H new ATOM 0 HA SER A 62 1.938 -5.925 -11.838 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.568 -6.700 -10.280 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.447 -5.413 -11.464 1.00 0.00 H new ATOM 0 HG SER A 62 -1.287 -7.379 -12.386 1.00 0.00 H new ATOM 975 N ALA A 63 2.594 -5.654 -8.813 1.00 0.00 N ATOM 976 CA ALA A 63 3.105 -4.739 -7.797 1.00 0.00 C ATOM 977 C ALA A 63 3.954 -3.627 -8.414 1.00 0.00 C ATOM 978 O ALA A 63 4.468 -3.769 -9.530 1.00 0.00 O ATOM 979 CB ALA A 63 3.915 -5.518 -6.740 1.00 0.00 C ATOM 0 H ALA A 63 2.895 -6.618 -8.673 1.00 0.00 H new ATOM 0 HA ALA A 63 2.251 -4.266 -7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.291 -4.826 -5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.273 -6.259 -6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.753 -6.021 -7.222 1.00 0.00 H new ATOM 985 N VAL A 64 4.131 -2.555 -7.645 1.00 0.00 N ATOM 986 CA VAL A 64 4.910 -1.375 -8.000 1.00 0.00 C ATOM 987 C VAL A 64 5.860 -1.060 -6.844 1.00 0.00 C ATOM 988 O VAL A 64 5.711 -1.612 -5.745 1.00 0.00 O ATOM 989 CB VAL A 64 3.981 -0.186 -8.342 1.00 0.00 C ATOM 990 CG1 VAL A 64 2.849 -0.571 -9.298 1.00 0.00 C ATOM 991 CG2 VAL A 64 3.385 0.467 -7.092 1.00 0.00 C ATOM 0 H VAL A 64 3.716 -2.484 -6.716 1.00 0.00 H new ATOM 0 HA VAL A 64 5.501 -1.565 -8.896 1.00 0.00 H new ATOM 0 HB VAL A 64 4.624 0.536 -8.845 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.231 0.304 -9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.272 -0.941 -10.232 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.237 -1.350 -8.843 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.741 1.296 -7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.800 -0.269 -6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.189 0.840 -6.458 1.00 0.00 H new ATOM 1001 N LEU A 65 6.804 -0.142 -7.062 1.00 0.00 N ATOM 1002 CA LEU A 65 7.743 0.306 -6.048 1.00 0.00 C ATOM 1003 C LEU A 65 6.965 1.077 -4.993 1.00 0.00 C ATOM 1004 O LEU A 65 6.229 2.012 -5.305 1.00 0.00 O ATOM 1005 CB LEU A 65 8.842 1.187 -6.672 1.00 0.00 C ATOM 1006 CG LEU A 65 9.663 0.481 -7.775 1.00 0.00 C ATOM 1007 CD1 LEU A 65 10.572 1.494 -8.474 1.00 0.00 C ATOM 1008 CD2 LEU A 65 10.531 -0.675 -7.255 1.00 0.00 C ATOM 0 H LEU A 65 6.934 0.314 -7.965 1.00 0.00 H new ATOM 0 HA LEU A 65 8.238 -0.552 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.382 2.081 -7.092 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.519 1.517 -5.884 1.00 0.00 H new ATOM 0 HG LEU A 65 8.935 0.056 -8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.148 0.991 -9.250 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.964 2.278 -8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.252 1.935 -7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.078 -1.122 -8.086 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.238 -0.296 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.894 -1.429 -6.793 1.00 0.00 H new ATOM 1020 N LEU A 66 7.153 0.724 -3.723 1.00 0.00 N ATOM 1021 CA LEU A 66 6.552 1.457 -2.599 1.00 0.00 C ATOM 1022 C LEU A 66 6.902 2.952 -2.656 1.00 0.00 C ATOM 1023 O LEU A 66 6.081 3.793 -2.290 1.00 0.00 O ATOM 1024 CB LEU A 66 7.019 0.808 -1.281 1.00 0.00 C ATOM 1025 CG LEU A 66 6.600 1.548 0.008 1.00 0.00 C ATOM 1026 CD1 LEU A 66 5.080 1.701 0.128 1.00 0.00 C ATOM 1027 CD2 LEU A 66 7.105 0.776 1.232 1.00 0.00 C ATOM 0 H LEU A 66 7.722 -0.073 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 66 5.466 1.395 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.629 -0.209 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.106 0.732 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 66 7.041 2.544 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.839 2.228 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.703 2.269 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.615 0.715 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.808 1.300 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.675 -0.225 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.192 0.704 1.194 1.00 0.00 H new ATOM 1039 N THR A 67 8.085 3.292 -3.165 1.00 0.00 N ATOM 1040 CA THR A 67 8.544 4.667 -3.276 1.00 0.00 C ATOM 1041 C THR A 67 7.669 5.468 -4.255 1.00 0.00 C ATOM 1042 O THR A 67 7.455 6.666 -4.064 1.00 0.00 O ATOM 1043 CB THR A 67 10.024 4.646 -3.703 1.00 0.00 C ATOM 1044 OG1 THR A 67 10.211 3.865 -4.875 1.00 0.00 O ATOM 1045 CG2 THR A 67 10.902 4.034 -2.602 1.00 0.00 C ATOM 0 H THR A 67 8.757 2.609 -3.515 1.00 0.00 H new ATOM 0 HA THR A 67 8.457 5.171 -2.314 1.00 0.00 H new ATOM 0 HB THR A 67 10.309 5.681 -3.891 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.159 3.871 -5.124 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.943 4.030 -2.927 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.808 4.625 -1.691 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.579 3.012 -2.406 1.00 0.00 H new ATOM 1053 N ASP A 68 7.139 4.821 -5.297 1.00 0.00 N ATOM 1054 CA ASP A 68 6.218 5.433 -6.247 1.00 0.00 C ATOM 1055 C ASP A 68 4.908 5.694 -5.536 1.00 0.00 C ATOM 1056 O ASP A 68 4.447 6.827 -5.528 1.00 0.00 O ATOM 1057 CB ASP A 68 6.008 4.542 -7.478 1.00 0.00 C ATOM 1058 CG ASP A 68 6.929 4.989 -8.600 1.00 0.00 C ATOM 1059 OD1 ASP A 68 6.554 5.940 -9.318 1.00 0.00 O ATOM 1060 OD2 ASP A 68 8.040 4.420 -8.708 1.00 0.00 O ATOM 0 H ASP A 68 7.343 3.843 -5.503 1.00 0.00 H new ATOM 0 HA ASP A 68 6.638 6.371 -6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.209 3.501 -7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.969 4.596 -7.804 1.00 0.00 H new ATOM 1065 N VAL A 69 4.349 4.687 -4.864 1.00 0.00 N ATOM 1066 CA VAL A 69 3.083 4.797 -4.145 1.00 0.00 C ATOM 1067 C VAL A 69 3.108 5.976 -3.161 1.00 0.00 C ATOM 1068 O VAL A 69 2.145 6.739 -3.092 1.00 0.00 O ATOM 1069 CB VAL A 69 2.764 3.446 -3.482 1.00 0.00 C ATOM 1070 CG1 VAL A 69 1.418 3.443 -2.772 1.00 0.00 C ATOM 1071 CG2 VAL A 69 2.737 2.326 -4.526 1.00 0.00 C ATOM 0 H VAL A 69 4.770 3.760 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 69 2.273 5.020 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 69 3.553 3.281 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.246 2.465 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.416 4.205 -1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.627 3.657 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.510 1.379 -4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.972 2.542 -5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.710 2.259 -5.013 1.00 0.00 H new ATOM 1081 N LEU A 70 4.215 6.185 -2.443 1.00 0.00 N ATOM 1082 CA LEU A 70 4.418 7.350 -1.585 1.00 0.00 C ATOM 1083 C LEU A 70 4.213 8.679 -2.321 1.00 0.00 C ATOM 1084 O LEU A 70 3.505 9.545 -1.801 1.00 0.00 O ATOM 1085 CB LEU A 70 5.801 7.261 -0.938 1.00 0.00 C ATOM 1086 CG LEU A 70 5.764 6.783 0.514 1.00 0.00 C ATOM 1087 CD1 LEU A 70 4.997 5.478 0.685 1.00 0.00 C ATOM 1088 CD2 LEU A 70 7.200 6.582 0.964 1.00 0.00 C ATOM 0 H LEU A 70 5.005 5.539 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 70 3.655 7.336 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.423 6.581 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.276 8.241 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 70 5.247 7.532 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.004 5.187 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.968 5.615 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.470 4.697 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.213 6.240 1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.679 5.836 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.741 7.525 0.887 1.00 0.00 H new ATOM 1100 N ARG A 71 4.802 8.850 -3.509 1.00 0.00 N ATOM 1101 CA ARG A 71 4.638 10.038 -4.345 1.00 0.00 C ATOM 1102 C ARG A 71 3.242 10.109 -4.965 1.00 0.00 C ATOM 1103 O ARG A 71 2.724 11.208 -5.155 1.00 0.00 O ATOM 1104 CB ARG A 71 5.734 10.028 -5.428 1.00 0.00 C ATOM 1105 CG ARG A 71 5.547 11.116 -6.494 1.00 0.00 C ATOM 1106 CD ARG A 71 6.835 11.395 -7.280 1.00 0.00 C ATOM 1107 NE ARG A 71 7.656 12.461 -6.667 1.00 0.00 N ATOM 1108 CZ ARG A 71 7.800 13.711 -7.141 1.00 0.00 C ATOM 1109 NH1 ARG A 71 7.046 14.155 -8.143 1.00 0.00 N ATOM 1110 NH2 ARG A 71 8.692 14.531 -6.599 1.00 0.00 N ATOM 0 H ARG A 71 5.418 8.150 -3.923 1.00 0.00 H new ATOM 0 HA ARG A 71 4.741 10.929 -3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.706 10.159 -4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.746 9.052 -5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.762 10.811 -7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.211 12.036 -6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.423 10.480 -7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.579 11.680 -8.300 1.00 0.00 H new ATOM 0 HE ARG A 71 8.157 12.228 -5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.346 13.544 -8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.168 15.106 -8.491 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.270 14.213 -5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.799 15.479 -6.960 1.00 0.00 H new ATOM 1124 N LEU A 72 2.652 8.972 -5.333 1.00 0.00 N ATOM 1125 CA LEU A 72 1.336 8.917 -5.961 1.00 0.00 C ATOM 1126 C LEU A 72 0.251 9.310 -4.962 1.00 0.00 C ATOM 1127 O LEU A 72 -0.738 9.928 -5.355 1.00 0.00 O ATOM 1128 CB LEU A 72 1.053 7.507 -6.506 1.00 0.00 C ATOM 1129 CG LEU A 72 1.927 7.101 -7.709 1.00 0.00 C ATOM 1130 CD1 LEU A 72 1.725 5.616 -8.004 1.00 0.00 C ATOM 1131 CD2 LEU A 72 1.589 7.910 -8.963 1.00 0.00 C ATOM 0 H LEU A 72 3.080 8.055 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 72 1.328 9.623 -6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.202 6.784 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.004 7.447 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 72 2.965 7.304 -7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.342 5.327 -8.855 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.012 5.029 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.676 5.431 -8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.229 7.591 -9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.545 7.747 -9.231 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.752 8.970 -8.767 1.00 0.00 H new ATOM 1143 N SER A 73 0.412 8.935 -3.695 1.00 0.00 N ATOM 1144 CA SER A 73 -0.493 9.320 -2.627 1.00 0.00 C ATOM 1145 C SER A 73 -0.349 10.819 -2.321 1.00 0.00 C ATOM 1146 O SER A 73 0.645 11.453 -2.699 1.00 0.00 O ATOM 1147 CB SER A 73 -0.203 8.427 -1.413 1.00 0.00 C ATOM 1148 OG SER A 73 0.998 8.780 -0.742 1.00 0.00 O ATOM 0 H SER A 73 1.186 8.348 -3.383 1.00 0.00 H new ATOM 0 HA SER A 73 -1.533 9.173 -2.919 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.036 8.491 -0.714 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.140 7.389 -1.739 1.00 0.00 H new ATOM 0 HG SER A 73 1.695 8.979 -1.402 1.00 0.00 H new ATOM 1154 N GLY A 74 -1.298 11.388 -1.578 1.00 0.00 N ATOM 1155 CA GLY A 74 -1.159 12.741 -1.068 1.00 0.00 C ATOM 1156 C GLY A 74 -2.368 13.181 -0.246 1.00 0.00 C ATOM 1157 O GLY A 74 -3.378 12.471 -0.192 1.00 0.00 O ATOM 0 H GLY A 74 -2.170 10.928 -1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.262 12.804 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.021 13.428 -1.903 1.00 0.00 H new ATOM 1161 N PRO A 75 -2.287 14.357 0.392 1.00 0.00 N ATOM 1162 CA PRO A 75 -3.393 14.952 1.128 1.00 0.00 C ATOM 1163 C PRO A 75 -4.466 15.436 0.152 1.00 0.00 C ATOM 1164 O PRO A 75 -4.164 15.816 -0.986 1.00 0.00 O ATOM 1165 CB PRO A 75 -2.774 16.110 1.913 1.00 0.00 C ATOM 1166 CG PRO A 75 -1.573 16.521 1.060 1.00 0.00 C ATOM 1167 CD PRO A 75 -1.120 15.220 0.410 1.00 0.00 C ATOM 0 HA PRO A 75 -3.884 14.246 1.798 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.478 16.933 2.036 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.469 15.799 2.912 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.850 17.265 0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.782 16.959 1.669 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.749 15.396 -0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.306 14.764 0.974 1.00 0.00 H new ATOM 1175 N SER A 76 -5.722 15.451 0.587 1.00 0.00 N ATOM 1176 CA SER A 76 -6.843 15.753 -0.285 1.00 0.00 C ATOM 1177 C SER A 76 -6.794 17.227 -0.700 1.00 0.00 C ATOM 1178 O SER A 76 -6.659 18.116 0.142 1.00 0.00 O ATOM 1179 CB SER A 76 -8.153 15.385 0.411 1.00 0.00 C ATOM 1180 OG SER A 76 -8.089 14.077 0.971 1.00 0.00 O ATOM 0 H SER A 76 -5.987 15.254 1.552 1.00 0.00 H new ATOM 0 HA SER A 76 -6.781 15.157 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.366 16.110 1.197 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.975 15.438 -0.303 1.00 0.00 H new ATOM 0 HG SER A 76 -8.939 13.868 1.411 1.00 0.00 H new ATOM 1186 N SER A 77 -6.815 17.479 -2.006 1.00 0.00 N ATOM 1187 CA SER A 77 -6.969 18.786 -2.619 1.00 0.00 C ATOM 1188 C SER A 77 -7.520 18.507 -4.013 1.00 0.00 C ATOM 1189 O SER A 77 -7.077 17.549 -4.664 1.00 0.00 O ATOM 1190 CB SER A 77 -5.613 19.503 -2.680 1.00 0.00 C ATOM 1191 OG SER A 77 -5.711 20.786 -3.264 1.00 0.00 O ATOM 0 H SER A 77 -6.720 16.735 -2.697 1.00 0.00 H new ATOM 0 HA SER A 77 -7.635 19.439 -2.055 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.207 19.595 -1.672 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.910 18.898 -3.253 1.00 0.00 H new ATOM 0 HG SER A 77 -4.826 21.206 -3.281 1.00 0.00 H new ATOM 1197 N GLY A 78 -8.451 19.342 -4.475 1.00 0.00 N ATOM 1198 CA GLY A 78 -9.238 19.054 -5.663 1.00 0.00 C ATOM 1199 C GLY A 78 -10.292 18.004 -5.362 1.00 0.00 C ATOM 1200 O GLY A 78 -11.096 17.734 -6.273 1.00 0.00 O ATOM 0 H GLY A 78 -8.677 20.234 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.717 19.966 -6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.585 18.704 -6.462 1.00 0.00 H new TER 1204 GLY A 78