USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 458 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 35 ASN :FLIP amide:sc= 0.23 F(o=-1,f=-0.34) USER MOD Set 1.2: A 38 TYR OH : rot 93:sc= -0.574 USER MOD Set 2.1: A 2 SER OG : rot -105:sc= 0.718 USER MOD Set 2.2: A 4 ASN :FLIP amide:sc= 0.333 F(o=-2,f=1.1) USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -172:sc= 0.224 (180deg=0.186) USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= -0.527 (180deg=-1.28) USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= -0.0625 (180deg=-0.507) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 20 SER OG : rot -170:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -4.58! C(o=-5.5!,f=-4.6!) USER MOD Single : A 26 ASN : amide:sc= -0.0533 X(o=-0.053,f=-0.053) USER MOD Single : A 27 LYS NZ :NH3+ -111:sc= -6.47! (180deg=-9.39!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.18) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0165 K(o=-0.017,f=-0.77) USER MOD Single : A 54 GLN : amide:sc= -3.45! C(o=-3.5!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 39.012 -23.714 -1.673 1.00 1.00 N ATOM 2 CA CYS A 1 38.542 -23.185 -0.361 1.00 1.00 C ATOM 3 C CYS A 1 38.936 -21.717 -0.235 1.00 1.00 C ATOM 4 O CYS A 1 38.077 -20.836 -0.199 1.00 1.00 O ATOM 5 CB CYS A 1 39.179 -23.995 0.771 1.00 1.00 C ATOM 6 SG CYS A 1 38.414 -23.538 2.345 1.00 1.00 S ATOM 0 H1 CYS A 1 38.744 -24.715 -1.760 1.00 1.00 H new ATOM 0 H2 CYS A 1 38.574 -23.170 -2.444 1.00 1.00 H new ATOM 0 H3 CYS A 1 40.047 -23.626 -1.732 1.00 1.00 H new ATOM 0 HA CYS A 1 37.457 -23.271 -0.297 1.00 1.00 H new ATOM 0 HB2 CYS A 1 39.049 -25.061 0.587 1.00 1.00 H new ATOM 0 HB3 CYS A 1 40.252 -23.807 0.808 1.00 1.00 H new ATOM 0 HG CYS A 1 38.953 -24.228 3.306 1.00 1.00 H new ATOM 14 N SER A 2 40.243 -21.461 -0.170 1.00 1.00 N ATOM 15 CA SER A 2 40.750 -20.093 -0.049 1.00 1.00 C ATOM 16 C SER A 2 41.960 -19.890 -0.959 1.00 1.00 C ATOM 17 O SER A 2 42.855 -20.732 -1.016 1.00 1.00 O ATOM 18 CB SER A 2 41.148 -19.822 1.400 1.00 1.00 C ATOM 19 OG SER A 2 41.669 -18.504 1.506 1.00 1.00 O ATOM 0 H SER A 2 40.967 -22.179 -0.199 1.00 1.00 H new ATOM 0 HA SER A 2 39.965 -19.399 -0.350 1.00 1.00 H new ATOM 0 HB2 SER A 2 40.284 -19.937 2.054 1.00 1.00 H new ATOM 0 HB3 SER A 2 41.894 -20.547 1.726 1.00 1.00 H new ATOM 0 HG SER A 2 42.644 -18.544 1.597 1.00 1.00 H new ATOM 25 N LYS A 3 41.976 -18.767 -1.672 1.00 1.00 N ATOM 26 CA LYS A 3 43.078 -18.465 -2.584 1.00 1.00 C ATOM 27 C LYS A 3 44.374 -18.231 -1.819 1.00 1.00 C ATOM 28 O LYS A 3 45.453 -18.629 -2.258 1.00 1.00 O ATOM 29 CB LYS A 3 42.734 -17.233 -3.454 1.00 1.00 C ATOM 30 CG LYS A 3 41.684 -16.367 -2.738 1.00 1.00 C ATOM 31 CD LYS A 3 41.539 -15.006 -3.443 1.00 1.00 C ATOM 32 CE LYS A 3 42.584 -14.019 -2.907 1.00 1.00 C ATOM 33 NZ LYS A 3 42.533 -12.762 -3.702 1.00 1.00 N ATOM 0 H LYS A 3 41.246 -18.056 -1.638 1.00 1.00 H new ATOM 0 HA LYS A 3 43.223 -19.326 -3.237 1.00 1.00 H new ATOM 0 HB2 LYS A 3 43.634 -16.648 -3.644 1.00 1.00 H new ATOM 0 HB3 LYS A 3 42.353 -17.555 -4.423 1.00 1.00 H new ATOM 0 HG2 LYS A 3 40.724 -16.883 -2.728 1.00 1.00 H new ATOM 0 HG3 LYS A 3 41.975 -16.216 -1.699 1.00 1.00 H new ATOM 0 HD2 LYS A 3 41.663 -15.130 -4.519 1.00 1.00 H new ATOM 0 HD3 LYS A 3 40.537 -14.609 -3.282 1.00 1.00 H new ATOM 0 HE2 LYS A 3 42.392 -13.805 -1.856 1.00 1.00 H new ATOM 0 HE3 LYS A 3 43.579 -14.459 -2.966 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 43.241 -12.093 -3.339 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 42.736 -12.974 -4.700 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 41.586 -12.340 -3.624 1.00 1.00 H new ATOM 47 N ASN A 4 44.247 -17.571 -0.690 1.00 1.00 N ATOM 48 CA ASN A 4 45.408 -17.255 0.149 1.00 1.00 C ATOM 49 C ASN A 4 46.435 -16.456 -0.647 1.00 1.00 C ATOM 50 O ASN A 4 47.514 -16.144 -0.147 1.00 1.00 O ATOM 51 CB ASN A 4 46.056 -18.545 0.678 1.00 1.00 C ATOM 52 CG ASN A 4 45.258 -19.089 1.858 1.00 1.00 C ATOM 53 OD1 ASN A 4 44.158 -19.751 1.638 1.00 1.00 O flip ATOM 54 ND2 ASN A 4 45.648 -18.902 3.011 1.00 1.00 N flip ATOM 0 H ASN A 4 43.356 -17.237 -0.321 1.00 1.00 H new ATOM 0 HA ASN A 4 45.066 -16.657 0.994 1.00 1.00 H new ATOM 0 HB2 ASN A 4 46.100 -19.291 -0.116 1.00 1.00 H new ATOM 0 HB3 ASN A 4 47.083 -18.346 0.985 1.00 1.00 H new ATOM 0 HD21 ASN A 4 46.510 -18.383 3.180 1.00 1.00 H new ATOM 0 HD22 ASN A 4 45.109 -19.266 3.797 1.00 1.00 H new ATOM 61 N ARG A 5 46.084 -16.116 -1.881 1.00 1.00 N ATOM 62 CA ARG A 5 46.978 -15.337 -2.728 1.00 1.00 C ATOM 63 C ARG A 5 47.057 -13.903 -2.218 1.00 1.00 C ATOM 64 O ARG A 5 48.001 -13.173 -2.520 1.00 1.00 O ATOM 65 CB ARG A 5 46.485 -15.367 -4.176 1.00 1.00 C ATOM 66 CG ARG A 5 46.776 -16.744 -4.781 1.00 1.00 C ATOM 67 CD ARG A 5 46.188 -16.828 -6.190 1.00 1.00 C ATOM 68 NE ARG A 5 44.738 -16.958 -6.124 1.00 1.00 N ATOM 69 CZ ARG A 5 43.972 -16.664 -7.170 1.00 1.00 C ATOM 70 NH1 ARG A 5 44.516 -16.238 -8.278 1.00 1.00 N ATOM 71 NH2 ARG A 5 42.677 -16.799 -7.089 1.00 1.00 N ATOM 0 H ARG A 5 45.195 -16.365 -2.315 1.00 1.00 H new ATOM 0 HA ARG A 5 47.976 -15.774 -2.693 1.00 1.00 H new ATOM 0 HB2 ARG A 5 45.416 -15.160 -4.213 1.00 1.00 H new ATOM 0 HB3 ARG A 5 46.981 -14.589 -4.757 1.00 1.00 H new ATOM 0 HG2 ARG A 5 47.852 -16.916 -4.816 1.00 1.00 H new ATOM 0 HG3 ARG A 5 46.349 -17.525 -4.152 1.00 1.00 H new ATOM 0 HD2 ARG A 5 46.455 -15.936 -6.757 1.00 1.00 H new ATOM 0 HD3 ARG A 5 46.613 -17.681 -6.719 1.00 1.00 H new ATOM 0 HE ARG A 5 44.303 -17.280 -5.260 1.00 1.00 H new ATOM 0 HH11 ARG A 5 45.528 -16.131 -8.341 1.00 1.00 H new ATOM 0 HH12 ARG A 5 43.929 -16.012 -9.081 1.00 1.00 H new ATOM 0 HH21 ARG A 5 42.252 -17.130 -6.223 1.00 1.00 H new ATOM 0 HH22 ARG A 5 42.090 -16.573 -7.892 1.00 1.00 H new ATOM 85 N LYS A 6 46.057 -13.513 -1.435 1.00 1.00 N ATOM 86 CA LYS A 6 46.020 -12.159 -0.874 1.00 1.00 C ATOM 87 C LYS A 6 47.273 -11.881 -0.032 1.00 1.00 C ATOM 88 O LYS A 6 47.746 -10.747 0.023 1.00 1.00 O ATOM 89 CB LYS A 6 44.768 -11.968 -0.001 1.00 1.00 C ATOM 90 CG LYS A 6 44.798 -12.972 1.154 1.00 1.00 C ATOM 91 CD LYS A 6 43.497 -12.881 1.956 1.00 1.00 C ATOM 92 CE LYS A 6 43.551 -13.869 3.126 1.00 1.00 C ATOM 93 NZ LYS A 6 42.176 -14.096 3.654 1.00 1.00 N ATOM 0 H LYS A 6 45.268 -14.104 -1.174 1.00 1.00 H new ATOM 0 HA LYS A 6 45.989 -11.457 -1.707 1.00 1.00 H new ATOM 0 HB2 LYS A 6 44.734 -10.950 0.388 1.00 1.00 H new ATOM 0 HB3 LYS A 6 43.868 -12.111 -0.599 1.00 1.00 H new ATOM 0 HG2 LYS A 6 44.927 -13.982 0.766 1.00 1.00 H new ATOM 0 HG3 LYS A 6 45.650 -12.769 1.802 1.00 1.00 H new ATOM 0 HD2 LYS A 6 43.357 -11.866 2.329 1.00 1.00 H new ATOM 0 HD3 LYS A 6 42.645 -13.106 1.315 1.00 1.00 H new ATOM 0 HE2 LYS A 6 43.986 -14.813 2.798 1.00 1.00 H new ATOM 0 HE3 LYS A 6 44.194 -13.479 3.915 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 42.228 -14.657 4.528 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 41.726 -13.180 3.856 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 41.613 -14.610 2.946 1.00 1.00 H new ATOM 107 N ALA A 7 47.809 -12.920 0.621 1.00 1.00 N ATOM 108 CA ALA A 7 49.013 -12.757 1.454 1.00 1.00 C ATOM 109 C ALA A 7 50.276 -13.045 0.649 1.00 1.00 C ATOM 110 O ALA A 7 50.949 -12.124 0.185 1.00 1.00 O ATOM 111 CB ALA A 7 48.972 -13.691 2.676 1.00 1.00 C ATOM 0 H ALA A 7 47.437 -13.869 0.592 1.00 1.00 H new ATOM 0 HA ALA A 7 49.031 -11.722 1.795 1.00 1.00 H new ATOM 0 HB1 ALA A 7 49.873 -13.549 3.273 1.00 1.00 H new ATOM 0 HB2 ALA A 7 48.096 -13.460 3.282 1.00 1.00 H new ATOM 0 HB3 ALA A 7 48.918 -14.727 2.341 1.00 1.00 H new ATOM 117 N LYS A 8 50.601 -14.330 0.491 1.00 1.00 N ATOM 118 CA LYS A 8 51.797 -14.733 -0.255 1.00 1.00 C ATOM 119 C LYS A 8 51.454 -15.804 -1.283 1.00 1.00 C ATOM 120 O LYS A 8 50.652 -16.700 -1.019 1.00 1.00 O ATOM 121 CB LYS A 8 52.855 -15.264 0.721 1.00 1.00 C ATOM 122 CG LYS A 8 52.334 -16.530 1.408 1.00 1.00 C ATOM 123 CD LYS A 8 53.297 -16.953 2.526 1.00 1.00 C ATOM 124 CE LYS A 8 54.682 -17.270 1.950 1.00 1.00 C ATOM 125 NZ LYS A 8 54.534 -18.019 0.671 1.00 1.00 N ATOM 0 H LYS A 8 50.057 -15.106 0.867 1.00 1.00 H new ATOM 0 HA LYS A 8 52.191 -13.864 -0.783 1.00 1.00 H new ATOM 0 HB2 LYS A 8 53.780 -15.483 0.187 1.00 1.00 H new ATOM 0 HB3 LYS A 8 53.090 -14.504 1.467 1.00 1.00 H new ATOM 0 HG2 LYS A 8 51.342 -16.348 1.821 1.00 1.00 H new ATOM 0 HG3 LYS A 8 52.233 -17.334 0.679 1.00 1.00 H new ATOM 0 HD2 LYS A 8 53.378 -16.156 3.265 1.00 1.00 H new ATOM 0 HD3 LYS A 8 52.902 -17.828 3.042 1.00 1.00 H new ATOM 0 HE2 LYS A 8 55.236 -16.347 1.780 1.00 1.00 H new ATOM 0 HE3 LYS A 8 55.257 -17.860 2.664 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 55.420 -18.520 0.457 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 53.760 -18.708 0.760 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 54.319 -17.353 -0.098 1.00 1.00 H new ATOM 139 N ALA A 9 52.070 -15.702 -2.455 1.00 1.00 N ATOM 140 CA ALA A 9 51.832 -16.666 -3.522 1.00 1.00 C ATOM 141 C ALA A 9 52.748 -16.375 -4.704 1.00 1.00 C ATOM 142 O ALA A 9 52.281 -16.037 -5.790 1.00 1.00 O ATOM 143 CB ALA A 9 50.364 -16.615 -3.970 1.00 1.00 C ATOM 0 H ALA A 9 52.735 -14.965 -2.690 1.00 1.00 H new ATOM 0 HA ALA A 9 52.048 -17.665 -3.143 1.00 1.00 H new ATOM 0 HB1 ALA A 9 50.201 -17.340 -4.767 1.00 1.00 H new ATOM 0 HB2 ALA A 9 49.717 -16.853 -3.125 1.00 1.00 H new ATOM 0 HB3 ALA A 9 50.130 -15.615 -4.336 1.00 1.00 H new ATOM 149 N LYS A 10 54.054 -16.509 -4.477 1.00 1.00 N ATOM 150 CA LYS A 10 55.050 -16.263 -5.521 1.00 1.00 C ATOM 151 C LYS A 10 54.532 -16.733 -6.892 1.00 1.00 C ATOM 152 O LYS A 10 54.553 -17.930 -7.175 1.00 1.00 O ATOM 153 CB LYS A 10 56.348 -17.013 -5.178 1.00 1.00 C ATOM 154 CG LYS A 10 56.634 -16.918 -3.660 1.00 1.00 C ATOM 155 CD LYS A 10 56.011 -18.119 -2.913 1.00 1.00 C ATOM 156 CE LYS A 10 56.989 -19.302 -2.905 1.00 1.00 C ATOM 157 NZ LYS A 10 58.156 -18.984 -2.031 1.00 1.00 N ATOM 0 H LYS A 10 54.448 -16.787 -3.578 1.00 1.00 H new ATOM 0 HA LYS A 10 55.243 -15.191 -5.572 1.00 1.00 H new ATOM 0 HB2 LYS A 10 56.262 -18.058 -5.475 1.00 1.00 H new ATOM 0 HB3 LYS A 10 57.181 -16.590 -5.740 1.00 1.00 H new ATOM 0 HG2 LYS A 10 57.710 -16.894 -3.488 1.00 1.00 H new ATOM 0 HG3 LYS A 10 56.228 -15.987 -3.265 1.00 1.00 H new ATOM 0 HD2 LYS A 10 55.766 -17.833 -1.890 1.00 1.00 H new ATOM 0 HD3 LYS A 10 55.078 -18.412 -3.394 1.00 1.00 H new ATOM 0 HE2 LYS A 10 56.486 -20.199 -2.544 1.00 1.00 H new ATOM 0 HE3 LYS A 10 57.329 -19.512 -3.919 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 58.560 -19.866 -1.657 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 58.878 -18.480 -2.585 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 57.845 -18.384 -1.241 1.00 1.00 H new ATOM 171 N PRO A 11 54.050 -15.840 -7.738 1.00 1.00 N ATOM 172 CA PRO A 11 53.506 -16.232 -9.071 1.00 1.00 C ATOM 173 C PRO A 11 54.592 -16.514 -10.093 1.00 1.00 C ATOM 174 O PRO A 11 54.317 -16.962 -11.206 1.00 1.00 O ATOM 175 CB PRO A 11 52.641 -15.035 -9.476 1.00 1.00 C ATOM 176 CG PRO A 11 53.274 -13.853 -8.805 1.00 1.00 C ATOM 177 CD PRO A 11 53.968 -14.377 -7.533 1.00 1.00 C ATOM 0 HA PRO A 11 52.946 -17.166 -9.023 1.00 1.00 H new ATOM 0 HB2 PRO A 11 52.622 -14.911 -10.559 1.00 1.00 H new ATOM 0 HB3 PRO A 11 51.609 -15.167 -9.152 1.00 1.00 H new ATOM 0 HG2 PRO A 11 53.994 -13.373 -9.468 1.00 1.00 H new ATOM 0 HG3 PRO A 11 52.523 -13.104 -8.554 1.00 1.00 H new ATOM 0 HD2 PRO A 11 54.957 -13.937 -7.409 1.00 1.00 H new ATOM 0 HD3 PRO A 11 53.396 -14.132 -6.638 1.00 1.00 H new ATOM 185 N VAL A 12 55.815 -16.260 -9.700 1.00 1.00 N ATOM 186 CA VAL A 12 56.944 -16.502 -10.580 1.00 1.00 C ATOM 187 C VAL A 12 57.042 -17.984 -10.908 1.00 1.00 C ATOM 188 O VAL A 12 57.284 -18.375 -12.051 1.00 1.00 O ATOM 189 CB VAL A 12 58.240 -16.023 -9.912 1.00 1.00 C ATOM 190 CG1 VAL A 12 58.398 -14.511 -10.105 1.00 1.00 C ATOM 191 CG2 VAL A 12 58.187 -16.332 -8.412 1.00 1.00 C ATOM 0 H VAL A 12 56.060 -15.888 -8.782 1.00 1.00 H new ATOM 0 HA VAL A 12 56.797 -15.946 -11.506 1.00 1.00 H new ATOM 0 HB VAL A 12 59.086 -16.538 -10.367 1.00 1.00 H new ATOM 0 HG11 VAL A 12 59.320 -14.178 -9.628 1.00 1.00 H new ATOM 0 HG12 VAL A 12 58.437 -14.282 -11.170 1.00 1.00 H new ATOM 0 HG13 VAL A 12 57.550 -13.996 -9.654 1.00 1.00 H new ATOM 0 HG21 VAL A 12 59.108 -15.992 -7.938 1.00 1.00 H new ATOM 0 HG22 VAL A 12 57.337 -15.818 -7.964 1.00 1.00 H new ATOM 0 HG23 VAL A 12 58.079 -17.407 -8.265 1.00 1.00 H new ATOM 201 N THR A 13 56.845 -18.793 -9.886 1.00 1.00 N ATOM 202 CA THR A 13 56.903 -20.251 -10.020 1.00 1.00 C ATOM 203 C THR A 13 55.504 -20.861 -10.029 1.00 1.00 C ATOM 204 O THR A 13 55.175 -21.652 -10.912 1.00 1.00 O ATOM 205 CB THR A 13 57.704 -20.853 -8.864 1.00 1.00 C ATOM 206 OG1 THR A 13 57.078 -20.523 -7.633 1.00 1.00 O ATOM 207 CG2 THR A 13 59.128 -20.296 -8.881 1.00 1.00 C ATOM 0 H THR A 13 56.641 -18.469 -8.941 1.00 1.00 H new ATOM 0 HA THR A 13 57.391 -20.478 -10.968 1.00 1.00 H new ATOM 0 HB THR A 13 57.740 -21.937 -8.974 1.00 1.00 H new ATOM 0 HG1 THR A 13 57.589 -20.910 -6.892 1.00 1.00 H new ATOM 0 HG21 THR A 13 59.697 -20.726 -8.057 1.00 1.00 H new ATOM 0 HG22 THR A 13 59.608 -20.552 -9.826 1.00 1.00 H new ATOM 0 HG23 THR A 13 59.096 -19.212 -8.773 1.00 1.00 H new ATOM 215 N ARG A 14 54.685 -20.512 -9.037 1.00 1.00 N ATOM 216 CA ARG A 14 53.336 -21.067 -8.961 1.00 1.00 C ATOM 217 C ARG A 14 52.533 -20.723 -10.217 1.00 1.00 C ATOM 218 O ARG A 14 51.512 -21.354 -10.496 1.00 1.00 O ATOM 219 CB ARG A 14 52.600 -20.555 -7.713 1.00 1.00 C ATOM 220 CG ARG A 14 53.382 -20.976 -6.465 1.00 1.00 C ATOM 221 CD ARG A 14 52.681 -20.458 -5.206 1.00 1.00 C ATOM 222 NE ARG A 14 51.406 -21.143 -5.020 1.00 1.00 N ATOM 223 CZ ARG A 14 50.616 -20.862 -3.987 1.00 1.00 C ATOM 224 NH1 ARG A 14 50.988 -19.978 -3.102 1.00 1.00 N ATOM 225 NH2 ARG A 14 49.473 -21.477 -3.854 1.00 1.00 N ATOM 0 H ARG A 14 54.926 -19.861 -8.290 1.00 1.00 H new ATOM 0 HA ARG A 14 53.429 -22.151 -8.891 1.00 1.00 H new ATOM 0 HB2 ARG A 14 52.506 -19.470 -7.750 1.00 1.00 H new ATOM 0 HB3 ARG A 14 51.589 -20.961 -7.679 1.00 1.00 H new ATOM 0 HG2 ARG A 14 53.462 -22.062 -6.425 1.00 1.00 H new ATOM 0 HG3 ARG A 14 54.398 -20.583 -6.513 1.00 1.00 H new ATOM 0 HD2 ARG A 14 53.317 -20.617 -4.335 1.00 1.00 H new ATOM 0 HD3 ARG A 14 52.516 -19.384 -5.289 1.00 1.00 H new ATOM 0 HE ARG A 14 51.115 -21.851 -5.695 1.00 1.00 H new ATOM 0 HH11 ARG A 14 51.885 -19.502 -3.202 1.00 1.00 H new ATOM 0 HH12 ARG A 14 50.382 -19.763 -2.310 1.00 1.00 H new ATOM 0 HH21 ARG A 14 49.185 -22.173 -4.542 1.00 1.00 H new ATOM 0 HH22 ARG A 14 48.867 -21.262 -3.062 1.00 1.00 H new ATOM 239 N GLY A 15 52.994 -19.730 -10.976 1.00 1.00 N ATOM 240 CA GLY A 15 52.292 -19.339 -12.200 1.00 1.00 C ATOM 241 C GLY A 15 50.860 -18.913 -11.895 1.00 1.00 C ATOM 242 O GLY A 15 50.087 -18.615 -12.804 1.00 1.00 O ATOM 0 H GLY A 15 53.835 -19.189 -10.772 1.00 1.00 H new ATOM 0 HA2 GLY A 15 52.824 -18.519 -12.683 1.00 1.00 H new ATOM 0 HA3 GLY A 15 52.286 -20.173 -12.902 1.00 1.00 H new ATOM 246 N THR A 16 50.514 -18.894 -10.609 1.00 1.00 N ATOM 247 CA THR A 16 49.167 -18.507 -10.192 1.00 1.00 C ATOM 248 C THR A 16 48.145 -19.516 -10.697 1.00 1.00 C ATOM 249 O THR A 16 47.551 -20.260 -9.917 1.00 1.00 O ATOM 250 CB THR A 16 48.831 -17.113 -10.737 1.00 1.00 C ATOM 251 OG1 THR A 16 49.969 -16.272 -10.613 1.00 1.00 O ATOM 252 CG2 THR A 16 47.664 -16.518 -9.945 1.00 1.00 C ATOM 0 H THR A 16 51.141 -19.140 -9.843 1.00 1.00 H new ATOM 0 HA THR A 16 49.132 -18.486 -9.103 1.00 1.00 H new ATOM 0 HB THR A 16 48.549 -17.192 -11.787 1.00 1.00 H new ATOM 0 HG1 THR A 16 49.757 -15.381 -10.962 1.00 1.00 H new ATOM 0 HG21 THR A 16 47.427 -15.528 -10.334 1.00 1.00 H new ATOM 0 HG22 THR A 16 46.791 -17.164 -10.042 1.00 1.00 H new ATOM 0 HG23 THR A 16 47.941 -16.438 -8.894 1.00 1.00 H new ATOM 260 N GLY A 17 47.947 -19.533 -12.007 1.00 1.00 N ATOM 261 CA GLY A 17 46.986 -20.456 -12.618 1.00 1.00 C ATOM 262 C GLY A 17 45.588 -19.849 -12.639 1.00 1.00 C ATOM 263 O GLY A 17 44.921 -19.767 -11.607 1.00 1.00 O ATOM 0 H GLY A 17 48.432 -18.926 -12.668 1.00 1.00 H new ATOM 0 HA2 GLY A 17 47.299 -20.693 -13.635 1.00 1.00 H new ATOM 0 HA3 GLY A 17 46.972 -21.393 -12.062 1.00 1.00 H new ATOM 267 N ALA A 18 45.147 -19.430 -13.821 1.00 1.00 N ATOM 268 CA ALA A 18 43.825 -18.834 -13.970 1.00 1.00 C ATOM 269 C ALA A 18 42.747 -19.930 -13.886 1.00 1.00 C ATOM 270 O ALA A 18 43.038 -21.097 -14.148 1.00 1.00 O ATOM 271 CB ALA A 18 43.749 -18.100 -15.317 1.00 1.00 C ATOM 0 H ALA A 18 45.684 -19.492 -14.686 1.00 1.00 H new ATOM 0 HA ALA A 18 43.650 -18.118 -13.167 1.00 1.00 H new ATOM 0 HB1 ALA A 18 42.762 -17.653 -15.432 1.00 1.00 H new ATOM 0 HB2 ALA A 18 44.508 -17.318 -15.349 1.00 1.00 H new ATOM 0 HB3 ALA A 18 43.924 -18.808 -16.127 1.00 1.00 H new ATOM 277 N GLY A 19 41.507 -19.566 -13.521 1.00 1.00 N ATOM 278 CA GLY A 19 40.427 -20.553 -13.416 1.00 1.00 C ATOM 279 C GLY A 19 39.517 -20.264 -12.221 1.00 1.00 C ATOM 280 O GLY A 19 38.310 -20.500 -12.282 1.00 1.00 O ATOM 0 H GLY A 19 41.233 -18.609 -13.297 1.00 1.00 H new ATOM 0 HA2 GLY A 19 39.838 -20.548 -14.333 1.00 1.00 H new ATOM 0 HA3 GLY A 19 40.853 -21.551 -13.317 1.00 1.00 H new ATOM 284 N SER A 20 40.096 -19.761 -11.131 1.00 1.00 N ATOM 285 CA SER A 20 39.316 -19.462 -9.935 1.00 1.00 C ATOM 286 C SER A 20 38.098 -18.626 -10.287 1.00 1.00 C ATOM 287 O SER A 20 37.025 -18.801 -9.714 1.00 1.00 O ATOM 288 CB SER A 20 40.183 -18.711 -8.918 1.00 1.00 C ATOM 289 OG SER A 20 41.278 -19.534 -8.537 1.00 1.00 O ATOM 0 H SER A 20 41.092 -19.554 -11.053 1.00 1.00 H new ATOM 0 HA SER A 20 38.980 -20.402 -9.498 1.00 1.00 H new ATOM 0 HB2 SER A 20 40.547 -17.779 -9.351 1.00 1.00 H new ATOM 0 HB3 SER A 20 39.590 -18.446 -8.043 1.00 1.00 H new ATOM 0 HG SER A 20 41.744 -19.127 -7.777 1.00 1.00 H new ATOM 295 N ARG A 21 38.280 -17.731 -11.239 1.00 1.00 N ATOM 296 CA ARG A 21 37.193 -16.857 -11.699 1.00 1.00 C ATOM 297 C ARG A 21 36.604 -16.076 -10.512 1.00 1.00 C ATOM 298 O ARG A 21 36.762 -16.481 -9.362 1.00 1.00 O ATOM 299 CB ARG A 21 36.106 -17.719 -12.418 1.00 1.00 C ATOM 300 CG ARG A 21 34.786 -17.806 -11.617 1.00 1.00 C ATOM 301 CD ARG A 21 33.865 -18.851 -12.248 1.00 1.00 C ATOM 302 NE ARG A 21 33.504 -18.453 -13.602 1.00 1.00 N ATOM 303 CZ ARG A 21 32.547 -17.557 -13.825 1.00 1.00 C ATOM 304 NH1 ARG A 21 31.905 -17.017 -12.825 1.00 1.00 N ATOM 305 NH2 ARG A 21 32.247 -17.220 -15.047 1.00 1.00 N ATOM 0 H ARG A 21 39.169 -17.582 -11.716 1.00 1.00 H new ATOM 0 HA ARG A 21 37.579 -16.128 -12.412 1.00 1.00 H new ATOM 0 HB2 ARG A 21 35.902 -17.293 -13.401 1.00 1.00 H new ATOM 0 HB3 ARG A 21 36.494 -18.724 -12.580 1.00 1.00 H new ATOM 0 HG2 ARG A 21 34.996 -18.071 -10.581 1.00 1.00 H new ATOM 0 HG3 ARG A 21 34.293 -16.834 -11.604 1.00 1.00 H new ATOM 0 HD2 ARG A 21 34.363 -19.821 -12.267 1.00 1.00 H new ATOM 0 HD3 ARG A 21 32.966 -18.966 -11.643 1.00 1.00 H new ATOM 0 HE ARG A 21 33.994 -18.869 -14.394 1.00 1.00 H new ATOM 0 HH11 ARG A 21 32.137 -17.282 -11.868 1.00 1.00 H new ATOM 0 HH12 ARG A 21 31.172 -16.330 -13.001 1.00 1.00 H new ATOM 0 HH21 ARG A 21 32.746 -17.643 -15.830 1.00 1.00 H new ATOM 0 HH22 ARG A 21 31.513 -16.533 -15.221 1.00 1.00 H new ATOM 319 N PRO A 22 35.919 -14.987 -10.767 1.00 1.00 N ATOM 320 CA PRO A 22 35.282 -14.172 -9.688 1.00 1.00 C ATOM 321 C PRO A 22 34.590 -15.031 -8.622 1.00 1.00 C ATOM 322 O PRO A 22 34.411 -14.602 -7.482 1.00 1.00 O ATOM 323 CB PRO A 22 34.258 -13.313 -10.449 1.00 1.00 C ATOM 324 CG PRO A 22 34.804 -13.170 -11.841 1.00 1.00 C ATOM 325 CD PRO A 22 35.697 -14.394 -12.104 1.00 1.00 C ATOM 0 HA PRO A 22 36.017 -13.590 -9.133 1.00 1.00 H new ATOM 0 HB2 PRO A 22 33.278 -13.790 -10.460 1.00 1.00 H new ATOM 0 HB3 PRO A 22 34.134 -12.339 -9.975 1.00 1.00 H new ATOM 0 HG2 PRO A 22 33.994 -13.120 -12.569 1.00 1.00 H new ATOM 0 HG3 PRO A 22 35.377 -12.248 -11.937 1.00 1.00 H new ATOM 0 HD2 PRO A 22 35.212 -15.102 -12.776 1.00 1.00 H new ATOM 0 HD3 PRO A 22 36.639 -14.105 -12.571 1.00 1.00 H new ATOM 333 N ARG A 23 34.195 -16.228 -9.018 1.00 1.00 N ATOM 334 CA ARG A 23 33.501 -17.166 -8.124 1.00 1.00 C ATOM 335 C ARG A 23 32.209 -16.550 -7.605 1.00 1.00 C ATOM 336 O ARG A 23 32.196 -15.421 -7.112 1.00 1.00 O ATOM 337 CB ARG A 23 34.384 -17.573 -6.924 1.00 1.00 C ATOM 338 CG ARG A 23 35.518 -18.531 -7.364 1.00 1.00 C ATOM 339 CD ARG A 23 35.855 -19.505 -6.227 1.00 1.00 C ATOM 340 NE ARG A 23 36.151 -18.779 -4.996 1.00 1.00 N ATOM 341 CZ ARG A 23 36.103 -19.384 -3.813 1.00 1.00 C ATOM 342 NH1 ARG A 23 35.799 -20.652 -3.738 1.00 1.00 N ATOM 343 NH2 ARG A 23 36.358 -18.712 -2.724 1.00 1.00 N ATOM 0 H ARG A 23 34.341 -16.585 -9.962 1.00 1.00 H new ATOM 0 HA ARG A 23 33.277 -18.059 -8.708 1.00 1.00 H new ATOM 0 HB2 ARG A 23 34.814 -16.682 -6.466 1.00 1.00 H new ATOM 0 HB3 ARG A 23 33.770 -18.057 -6.164 1.00 1.00 H new ATOM 0 HG2 ARG A 23 35.212 -19.086 -8.251 1.00 1.00 H new ATOM 0 HG3 ARG A 23 36.404 -17.958 -7.637 1.00 1.00 H new ATOM 0 HD2 ARG A 23 35.018 -20.183 -6.063 1.00 1.00 H new ATOM 0 HD3 ARG A 23 36.711 -20.118 -6.508 1.00 1.00 H new ATOM 0 HE ARG A 23 36.399 -17.791 -5.044 1.00 1.00 H new ATOM 0 HH11 ARG A 23 35.598 -21.179 -4.588 1.00 1.00 H new ATOM 0 HH12 ARG A 23 35.763 -21.115 -2.830 1.00 1.00 H new ATOM 0 HH21 ARG A 23 36.594 -17.721 -2.780 1.00 1.00 H new ATOM 0 HH22 ARG A 23 36.321 -19.177 -1.817 1.00 1.00 H new ATOM 357 N GLY A 24 31.126 -17.311 -7.715 1.00 1.00 N ATOM 358 CA GLY A 24 29.824 -16.842 -7.246 1.00 1.00 C ATOM 359 C GLY A 24 29.727 -16.944 -5.730 1.00 1.00 C ATOM 360 O GLY A 24 29.651 -15.931 -5.036 1.00 1.00 O ATOM 0 H GLY A 24 31.121 -18.247 -8.121 1.00 1.00 H new ATOM 0 HA2 GLY A 24 29.672 -15.808 -7.556 1.00 1.00 H new ATOM 0 HA3 GLY A 24 29.032 -17.433 -7.706 1.00 1.00 H new ATOM 364 N GLN A 25 29.722 -18.175 -5.221 1.00 1.00 N ATOM 365 CA GLN A 25 29.620 -18.396 -3.775 1.00 1.00 C ATOM 366 C GLN A 25 28.600 -17.442 -3.168 1.00 1.00 C ATOM 367 O GLN A 25 28.953 -16.394 -2.627 1.00 1.00 O ATOM 368 CB GLN A 25 30.983 -18.184 -3.110 1.00 1.00 C ATOM 369 CG GLN A 25 31.014 -18.872 -1.737 1.00 1.00 C ATOM 370 CD GLN A 25 29.992 -18.236 -0.800 1.00 1.00 C ATOM 371 OE1 GLN A 25 30.055 -16.957 -0.550 1.00 1.00 O flip ATOM 372 NE2 GLN A 25 29.109 -18.922 -0.285 1.00 1.00 N flip ATOM 0 H GLN A 25 29.786 -19.027 -5.778 1.00 1.00 H new ATOM 0 HA GLN A 25 29.295 -19.422 -3.603 1.00 1.00 H new ATOM 0 HB2 GLN A 25 31.772 -18.586 -3.745 1.00 1.00 H new ATOM 0 HB3 GLN A 25 31.178 -17.118 -2.996 1.00 1.00 H new ATOM 0 HG2 GLN A 25 30.800 -19.935 -1.851 1.00 1.00 H new ATOM 0 HG3 GLN A 25 32.012 -18.792 -1.305 1.00 1.00 H new ATOM 0 HE21 GLN A 25 29.060 -19.922 -0.481 1.00 1.00 H new ATOM 0 HE22 GLN A 25 28.426 -18.491 0.338 1.00 1.00 H new ATOM 381 N ASN A 26 27.332 -17.818 -3.258 1.00 1.00 N ATOM 382 CA ASN A 26 26.251 -16.995 -2.710 1.00 1.00 C ATOM 383 C ASN A 26 25.185 -17.881 -2.052 1.00 1.00 C ATOM 384 O ASN A 26 24.144 -18.160 -2.649 1.00 1.00 O ATOM 385 CB ASN A 26 25.601 -16.159 -3.818 1.00 1.00 C ATOM 386 CG ASN A 26 24.495 -15.291 -3.227 1.00 1.00 C ATOM 387 OD1 ASN A 26 23.324 -15.455 -3.572 1.00 1.00 O ATOM 388 ND2 ASN A 26 24.796 -14.377 -2.345 1.00 1.00 N ATOM 0 H ASN A 26 27.022 -18.682 -3.702 1.00 1.00 H new ATOM 0 HA ASN A 26 26.678 -16.329 -1.960 1.00 1.00 H new ATOM 0 HB2 ASN A 26 26.350 -15.531 -4.300 1.00 1.00 H new ATOM 0 HB3 ASN A 26 25.191 -16.813 -4.587 1.00 1.00 H new ATOM 0 HD21 ASN A 26 24.061 -13.797 -1.940 1.00 1.00 H new ATOM 0 HD22 ASN A 26 25.766 -14.243 -2.061 1.00 1.00 H new ATOM 395 N LYS A 27 25.460 -18.332 -0.832 1.00 1.00 N ATOM 396 CA LYS A 27 24.526 -19.206 -0.105 1.00 1.00 C ATOM 397 C LYS A 27 23.260 -18.455 0.329 1.00 1.00 C ATOM 398 O LYS A 27 22.438 -19.004 1.058 1.00 1.00 O ATOM 399 CB LYS A 27 25.211 -19.799 1.138 1.00 1.00 C ATOM 400 CG LYS A 27 26.388 -20.681 0.710 1.00 1.00 C ATOM 401 CD LYS A 27 27.155 -21.161 1.953 1.00 1.00 C ATOM 402 CE LYS A 27 26.278 -22.101 2.799 1.00 1.00 C ATOM 403 NZ LYS A 27 25.510 -21.295 3.790 1.00 1.00 N ATOM 0 H LYS A 27 26.316 -18.112 -0.322 1.00 1.00 H new ATOM 0 HA LYS A 27 24.234 -20.004 -0.788 1.00 1.00 H new ATOM 0 HB2 LYS A 27 25.563 -18.998 1.788 1.00 1.00 H new ATOM 0 HB3 LYS A 27 24.495 -20.386 1.714 1.00 1.00 H new ATOM 0 HG2 LYS A 27 26.025 -21.537 0.142 1.00 1.00 H new ATOM 0 HG3 LYS A 27 27.054 -20.122 0.053 1.00 1.00 H new ATOM 0 HD2 LYS A 27 28.065 -21.679 1.649 1.00 1.00 H new ATOM 0 HD3 LYS A 27 27.462 -20.303 2.552 1.00 1.00 H new ATOM 0 HE2 LYS A 27 25.595 -22.657 2.157 1.00 1.00 H new ATOM 0 HE3 LYS A 27 26.900 -22.834 3.312 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 25.864 -21.493 4.748 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 25.627 -20.283 3.580 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 24.502 -21.545 3.735 1.00 1.00 H new ATOM 417 N GLU A 28 23.120 -17.208 -0.125 1.00 1.00 N ATOM 418 CA GLU A 28 21.966 -16.363 0.208 1.00 1.00 C ATOM 419 C GLU A 28 21.972 -16.000 1.694 1.00 1.00 C ATOM 420 O GLU A 28 20.919 -15.817 2.305 1.00 1.00 O ATOM 421 CB GLU A 28 20.654 -17.065 -0.165 1.00 1.00 C ATOM 422 CG GLU A 28 20.664 -17.378 -1.665 1.00 1.00 C ATOM 423 CD GLU A 28 19.386 -18.108 -2.062 1.00 1.00 C ATOM 424 OE1 GLU A 28 18.521 -18.258 -1.213 1.00 1.00 O ATOM 425 OE2 GLU A 28 19.290 -18.511 -3.209 1.00 1.00 O ATOM 0 H GLU A 28 23.801 -16.754 -0.733 1.00 1.00 H new ATOM 0 HA GLU A 28 22.042 -15.443 -0.372 1.00 1.00 H new ATOM 0 HB2 GLU A 28 20.542 -17.984 0.410 1.00 1.00 H new ATOM 0 HB3 GLU A 28 19.804 -16.429 0.081 1.00 1.00 H new ATOM 0 HG2 GLU A 28 20.755 -16.454 -2.236 1.00 1.00 H new ATOM 0 HG3 GLU A 28 21.532 -17.991 -1.910 1.00 1.00 H new ATOM 432 N ARG A 29 23.176 -15.883 2.261 1.00 1.00 N ATOM 433 CA ARG A 29 23.341 -15.523 3.677 1.00 1.00 C ATOM 434 C ARG A 29 24.559 -14.600 3.887 1.00 1.00 C ATOM 435 O ARG A 29 24.488 -13.647 4.666 1.00 1.00 O ATOM 436 CB ARG A 29 23.491 -16.787 4.558 1.00 1.00 C ATOM 437 CG ARG A 29 22.874 -17.998 3.853 1.00 1.00 C ATOM 438 CD ARG A 29 22.910 -19.242 4.779 1.00 1.00 C ATOM 439 NE ARG A 29 23.404 -18.896 6.114 1.00 1.00 N ATOM 440 CZ ARG A 29 24.702 -18.946 6.414 1.00 1.00 C ATOM 441 NH1 ARG A 29 25.570 -19.307 5.510 1.00 1.00 N ATOM 442 NH2 ARG A 29 25.107 -18.621 7.612 1.00 1.00 N ATOM 0 H ARG A 29 24.053 -16.032 1.763 1.00 1.00 H new ATOM 0 HA ARG A 29 22.442 -14.985 3.976 1.00 1.00 H new ATOM 0 HB2 ARG A 29 24.545 -16.974 4.762 1.00 1.00 H new ATOM 0 HB3 ARG A 29 23.003 -16.629 5.520 1.00 1.00 H new ATOM 0 HG2 ARG A 29 21.845 -17.777 3.571 1.00 1.00 H new ATOM 0 HG3 ARG A 29 23.419 -18.207 2.932 1.00 1.00 H new ATOM 0 HD2 ARG A 29 21.910 -19.669 4.858 1.00 1.00 H new ATOM 0 HD3 ARG A 29 23.549 -20.007 4.339 1.00 1.00 H new ATOM 0 HE ARG A 29 22.738 -18.610 6.832 1.00 1.00 H new ATOM 0 HH11 ARG A 29 25.256 -19.552 4.571 1.00 1.00 H new ATOM 0 HH12 ARG A 29 26.563 -19.344 5.742 1.00 1.00 H new ATOM 0 HH21 ARG A 29 24.430 -18.329 8.317 1.00 1.00 H new ATOM 0 HH22 ARG A 29 26.100 -18.659 7.842 1.00 1.00 H new ATOM 456 N PRO A 30 25.669 -14.864 3.231 1.00 1.00 N ATOM 457 CA PRO A 30 26.901 -14.044 3.376 1.00 1.00 C ATOM 458 C PRO A 30 26.930 -12.884 2.376 1.00 1.00 C ATOM 459 O PRO A 30 26.191 -12.884 1.392 1.00 1.00 O ATOM 460 CB PRO A 30 28.030 -15.061 3.113 1.00 1.00 C ATOM 461 CG PRO A 30 27.407 -16.203 2.335 1.00 1.00 C ATOM 462 CD PRO A 30 25.887 -15.957 2.279 1.00 1.00 C ATOM 0 HA PRO A 30 26.983 -13.564 4.351 1.00 1.00 H new ATOM 0 HB2 PRO A 30 28.841 -14.603 2.547 1.00 1.00 H new ATOM 0 HB3 PRO A 30 28.457 -15.418 4.050 1.00 1.00 H new ATOM 0 HG2 PRO A 30 27.824 -16.253 1.329 1.00 1.00 H new ATOM 0 HG3 PRO A 30 27.623 -17.157 2.817 1.00 1.00 H new ATOM 0 HD2 PRO A 30 25.564 -15.682 1.275 1.00 1.00 H new ATOM 0 HD3 PRO A 30 25.328 -16.849 2.561 1.00 1.00 H new ATOM 470 N PRO A 31 27.766 -11.904 2.612 1.00 1.00 N ATOM 471 CA PRO A 31 27.890 -10.716 1.716 1.00 1.00 C ATOM 472 C PRO A 31 28.172 -11.127 0.268 1.00 1.00 C ATOM 473 O PRO A 31 28.543 -12.269 -0.002 1.00 1.00 O ATOM 474 CB PRO A 31 29.060 -9.907 2.324 1.00 1.00 C ATOM 475 CG PRO A 31 29.759 -10.854 3.249 1.00 1.00 C ATOM 476 CD PRO A 31 28.686 -11.816 3.750 1.00 1.00 C ATOM 0 HA PRO A 31 26.969 -10.135 1.665 1.00 1.00 H new ATOM 0 HB2 PRO A 31 29.734 -9.547 1.547 1.00 1.00 H new ATOM 0 HB3 PRO A 31 28.695 -9.031 2.860 1.00 1.00 H new ATOM 0 HG2 PRO A 31 30.554 -11.391 2.731 1.00 1.00 H new ATOM 0 HG3 PRO A 31 30.223 -10.320 4.078 1.00 1.00 H new ATOM 0 HD2 PRO A 31 29.104 -12.789 4.007 1.00 1.00 H new ATOM 0 HD3 PRO A 31 28.189 -11.437 4.643 1.00 1.00 H new ATOM 484 N PRO A 32 27.994 -10.221 -0.655 1.00 1.00 N ATOM 485 CA PRO A 32 28.220 -10.494 -2.107 1.00 1.00 C ATOM 486 C PRO A 32 29.696 -10.760 -2.436 1.00 1.00 C ATOM 487 O PRO A 32 30.291 -10.060 -3.253 1.00 1.00 O ATOM 488 CB PRO A 32 27.698 -9.214 -2.793 1.00 1.00 C ATOM 489 CG PRO A 32 27.827 -8.146 -1.756 1.00 1.00 C ATOM 490 CD PRO A 32 27.552 -8.834 -0.421 1.00 1.00 C ATOM 0 HA PRO A 32 27.712 -11.398 -2.444 1.00 1.00 H new ATOM 0 HB2 PRO A 32 28.282 -8.975 -3.682 1.00 1.00 H new ATOM 0 HB3 PRO A 32 26.663 -9.331 -3.114 1.00 1.00 H new ATOM 0 HG2 PRO A 32 28.823 -7.703 -1.771 1.00 1.00 H new ATOM 0 HG3 PRO A 32 27.117 -7.339 -1.934 1.00 1.00 H new ATOM 0 HD2 PRO A 32 28.106 -8.367 0.393 1.00 1.00 H new ATOM 0 HD3 PRO A 32 26.496 -8.788 -0.155 1.00 1.00 H new ATOM 498 N VAL A 33 30.274 -11.785 -1.801 1.00 1.00 N ATOM 499 CA VAL A 33 31.678 -12.150 -2.041 1.00 1.00 C ATOM 500 C VAL A 33 32.097 -13.279 -1.068 1.00 1.00 C ATOM 501 O VAL A 33 31.658 -13.288 0.083 1.00 1.00 O ATOM 502 CB VAL A 33 32.590 -10.882 -1.882 1.00 1.00 C ATOM 503 CG1 VAL A 33 33.749 -11.122 -0.897 1.00 1.00 C ATOM 504 CG2 VAL A 33 33.192 -10.469 -3.239 1.00 1.00 C ATOM 0 H VAL A 33 29.796 -12.375 -1.120 1.00 1.00 H new ATOM 0 HA VAL A 33 31.796 -12.522 -3.059 1.00 1.00 H new ATOM 0 HB VAL A 33 31.950 -10.090 -1.492 1.00 1.00 H new ATOM 0 HG11 VAL A 33 34.353 -10.218 -0.819 1.00 1.00 H new ATOM 0 HG12 VAL A 33 33.346 -11.375 0.084 1.00 1.00 H new ATOM 0 HG13 VAL A 33 34.369 -11.943 -1.258 1.00 1.00 H new ATOM 0 HG21 VAL A 33 33.820 -9.588 -3.105 1.00 1.00 H new ATOM 0 HG22 VAL A 33 33.794 -11.287 -3.634 1.00 1.00 H new ATOM 0 HG23 VAL A 33 32.388 -10.239 -3.939 1.00 1.00 H new ATOM 514 N PRO A 34 32.948 -14.208 -1.479 1.00 1.00 N ATOM 515 CA PRO A 34 33.416 -15.300 -0.567 1.00 1.00 C ATOM 516 C PRO A 34 33.922 -14.751 0.771 1.00 1.00 C ATOM 517 O PRO A 34 34.526 -13.680 0.825 1.00 1.00 O ATOM 518 CB PRO A 34 34.569 -15.971 -1.340 1.00 1.00 C ATOM 519 CG PRO A 34 34.340 -15.647 -2.785 1.00 1.00 C ATOM 520 CD PRO A 34 33.525 -14.344 -2.836 1.00 1.00 C ATOM 0 HA PRO A 34 32.608 -15.988 -0.317 1.00 1.00 H new ATOM 0 HB2 PRO A 34 35.535 -15.595 -1.004 1.00 1.00 H new ATOM 0 HB3 PRO A 34 34.573 -17.049 -1.177 1.00 1.00 H new ATOM 0 HG2 PRO A 34 35.289 -15.528 -3.307 1.00 1.00 H new ATOM 0 HG3 PRO A 34 33.803 -16.456 -3.280 1.00 1.00 H new ATOM 0 HD2 PRO A 34 34.157 -13.491 -3.085 1.00 1.00 H new ATOM 0 HD3 PRO A 34 32.744 -14.395 -3.595 1.00 1.00 H new ATOM 528 N ASN A 35 33.669 -15.496 1.847 1.00 1.00 N ATOM 529 CA ASN A 35 34.104 -15.080 3.179 1.00 1.00 C ATOM 530 C ASN A 35 35.626 -15.231 3.320 1.00 1.00 C ATOM 531 O ASN A 35 36.294 -14.364 3.884 1.00 1.00 O ATOM 532 CB ASN A 35 33.390 -15.930 4.259 1.00 1.00 C ATOM 533 CG ASN A 35 32.582 -15.046 5.214 1.00 1.00 C ATOM 534 OD1 ASN A 35 33.115 -13.948 5.675 1.00 1.00 O flip ATOM 535 ND2 ASN A 35 31.441 -15.369 5.547 1.00 1.00 N flip ATOM 0 H ASN A 35 33.169 -16.384 1.823 1.00 1.00 H new ATOM 0 HA ASN A 35 33.842 -14.031 3.317 1.00 1.00 H new ATOM 0 HB2 ASN A 35 32.728 -16.651 3.779 1.00 1.00 H new ATOM 0 HB3 ASN A 35 34.128 -16.500 4.823 1.00 1.00 H new ATOM 0 HD21 ASN A 35 31.028 -16.228 5.184 1.00 1.00 H new ATOM 0 HD22 ASN A 35 30.909 -14.777 6.185 1.00 1.00 H new ATOM 542 N PRO A 36 36.173 -16.324 2.840 1.00 1.00 N ATOM 543 CA PRO A 36 37.639 -16.602 2.935 1.00 1.00 C ATOM 544 C PRO A 36 38.467 -15.510 2.263 1.00 1.00 C ATOM 545 O PRO A 36 39.668 -15.394 2.502 1.00 1.00 O ATOM 546 CB PRO A 36 37.813 -17.968 2.235 1.00 1.00 C ATOM 547 CG PRO A 36 36.448 -18.582 2.228 1.00 1.00 C ATOM 548 CD PRO A 36 35.462 -17.416 2.156 1.00 1.00 C ATOM 0 HA PRO A 36 37.990 -16.620 3.967 1.00 1.00 H new ATOM 0 HB2 PRO A 36 38.195 -17.845 1.221 1.00 1.00 H new ATOM 0 HB3 PRO A 36 38.525 -18.597 2.770 1.00 1.00 H new ATOM 0 HG2 PRO A 36 36.325 -19.250 1.376 1.00 1.00 H new ATOM 0 HG3 PRO A 36 36.283 -19.177 3.126 1.00 1.00 H new ATOM 0 HD2 PRO A 36 35.223 -17.156 1.125 1.00 1.00 H new ATOM 0 HD3 PRO A 36 34.521 -17.655 2.651 1.00 1.00 H new ATOM 556 N ASP A 37 37.814 -14.712 1.424 1.00 1.00 N ATOM 557 CA ASP A 37 38.510 -13.629 0.730 1.00 1.00 C ATOM 558 C ASP A 37 39.019 -12.609 1.750 1.00 1.00 C ATOM 559 O ASP A 37 40.037 -11.953 1.525 1.00 1.00 O ATOM 560 CB ASP A 37 37.587 -12.925 -0.290 1.00 1.00 C ATOM 561 CG ASP A 37 37.516 -13.726 -1.590 1.00 1.00 C ATOM 562 OD1 ASP A 37 38.231 -14.707 -1.705 1.00 1.00 O ATOM 563 OD2 ASP A 37 36.746 -13.342 -2.456 1.00 1.00 O ATOM 0 H ASP A 37 36.820 -14.790 1.209 1.00 1.00 H new ATOM 0 HA ASP A 37 39.349 -14.062 0.185 1.00 1.00 H new ATOM 0 HB2 ASP A 37 36.588 -12.814 0.131 1.00 1.00 H new ATOM 0 HB3 ASP A 37 37.960 -11.921 -0.494 1.00 1.00 H new ATOM 568 N TYR A 38 38.308 -12.481 2.876 1.00 1.00 N ATOM 569 CA TYR A 38 38.704 -11.537 3.925 1.00 1.00 C ATOM 570 C TYR A 38 38.493 -12.146 5.307 1.00 1.00 C ATOM 571 O TYR A 38 37.507 -11.859 5.980 1.00 1.00 O ATOM 572 CB TYR A 38 37.894 -10.239 3.796 1.00 1.00 C ATOM 573 CG TYR A 38 36.418 -10.531 3.964 1.00 1.00 C ATOM 574 CD1 TYR A 38 35.715 -11.177 2.940 1.00 1.00 C ATOM 575 CD2 TYR A 38 35.753 -10.158 5.141 1.00 1.00 C ATOM 576 CE1 TYR A 38 34.349 -11.448 3.091 1.00 1.00 C ATOM 577 CE2 TYR A 38 34.388 -10.430 5.291 1.00 1.00 C ATOM 578 CZ TYR A 38 33.686 -11.076 4.266 1.00 1.00 C ATOM 579 OH TYR A 38 32.340 -11.345 4.415 1.00 1.00 O ATOM 0 H TYR A 38 37.463 -13.014 3.083 1.00 1.00 H new ATOM 0 HA TYR A 38 39.764 -11.313 3.804 1.00 1.00 H new ATOM 0 HB2 TYR A 38 38.219 -9.521 4.549 1.00 1.00 H new ATOM 0 HB3 TYR A 38 38.074 -9.783 2.822 1.00 1.00 H new ATOM 0 HD1 TYR A 38 36.226 -11.466 2.034 1.00 1.00 H new ATOM 0 HD2 TYR A 38 36.294 -9.661 5.932 1.00 1.00 H new ATOM 0 HE1 TYR A 38 33.807 -11.945 2.300 1.00 1.00 H new ATOM 0 HE2 TYR A 38 33.876 -10.142 6.197 1.00 1.00 H new ATOM 0 HH TYR A 38 32.227 -12.205 4.871 1.00 1.00 H new ATOM 589 N GLU A 39 39.433 -12.989 5.730 1.00 1.00 N ATOM 590 CA GLU A 39 39.342 -13.633 7.042 1.00 1.00 C ATOM 591 C GLU A 39 40.712 -13.655 7.723 1.00 1.00 C ATOM 592 O GLU A 39 41.203 -14.712 8.114 1.00 1.00 O ATOM 593 CB GLU A 39 38.824 -15.068 6.886 1.00 1.00 C ATOM 594 CG GLU A 39 38.311 -15.581 8.234 1.00 1.00 C ATOM 595 CD GLU A 39 38.111 -17.091 8.171 1.00 1.00 C ATOM 596 OE1 GLU A 39 39.102 -17.799 8.137 1.00 1.00 O ATOM 597 OE2 GLU A 39 36.966 -17.516 8.156 1.00 1.00 O ATOM 0 H GLU A 39 40.260 -13.242 5.190 1.00 1.00 H new ATOM 0 HA GLU A 39 38.649 -13.062 7.660 1.00 1.00 H new ATOM 0 HB2 GLU A 39 38.024 -15.098 6.146 1.00 1.00 H new ATOM 0 HB3 GLU A 39 39.621 -15.715 6.519 1.00 1.00 H new ATOM 0 HG2 GLU A 39 39.021 -15.332 9.022 1.00 1.00 H new ATOM 0 HG3 GLU A 39 37.371 -15.091 8.486 1.00 1.00 H new ATOM 604 N PRO A 40 41.330 -12.510 7.862 1.00 1.00 N ATOM 605 CA PRO A 40 42.679 -12.387 8.504 1.00 1.00 C ATOM 606 C PRO A 40 42.651 -12.711 10.000 1.00 1.00 C ATOM 607 O PRO A 40 43.526 -12.287 10.754 1.00 1.00 O ATOM 608 CB PRO A 40 43.071 -10.920 8.257 1.00 1.00 C ATOM 609 CG PRO A 40 41.776 -10.196 8.048 1.00 1.00 C ATOM 610 CD PRO A 40 40.815 -11.204 7.415 1.00 1.00 C ATOM 0 HA PRO A 40 43.393 -13.097 8.086 1.00 1.00 H new ATOM 0 HB2 PRO A 40 43.618 -10.511 9.106 1.00 1.00 H new ATOM 0 HB3 PRO A 40 43.719 -10.827 7.385 1.00 1.00 H new ATOM 0 HG2 PRO A 40 41.382 -9.825 8.994 1.00 1.00 H new ATOM 0 HG3 PRO A 40 41.915 -9.331 7.399 1.00 1.00 H new ATOM 0 HD2 PRO A 40 39.790 -11.043 7.748 1.00 1.00 H new ATOM 0 HD3 PRO A 40 40.813 -11.126 6.328 1.00 1.00 H new ATOM 618 N ILE A 41 41.639 -13.461 10.416 1.00 1.00 N ATOM 619 CA ILE A 41 41.482 -13.848 11.819 1.00 1.00 C ATOM 620 C ILE A 41 42.021 -15.255 12.060 1.00 1.00 C ATOM 621 O ILE A 41 41.988 -15.764 13.180 1.00 1.00 O ATOM 622 CB ILE A 41 39.994 -13.781 12.214 1.00 1.00 C ATOM 623 CG1 ILE A 41 39.430 -12.363 11.918 1.00 1.00 C ATOM 624 CG2 ILE A 41 39.842 -14.106 13.713 1.00 1.00 C ATOM 625 CD1 ILE A 41 38.795 -12.321 10.519 1.00 1.00 C ATOM 0 H ILE A 41 40.908 -13.817 9.800 1.00 1.00 H new ATOM 0 HA ILE A 41 42.053 -13.153 12.435 1.00 1.00 H new ATOM 0 HB ILE A 41 39.434 -14.512 11.630 1.00 1.00 H new ATOM 0 HG12 ILE A 41 38.687 -12.096 12.670 1.00 1.00 H new ATOM 0 HG13 ILE A 41 40.230 -11.625 11.984 1.00 1.00 H new ATOM 0 HG21 ILE A 41 38.789 -14.058 13.991 1.00 1.00 H new ATOM 0 HG22 ILE A 41 40.224 -15.108 13.909 1.00 1.00 H new ATOM 0 HG23 ILE A 41 40.406 -13.382 14.301 1.00 1.00 H new ATOM 0 HD11 ILE A 41 38.405 -11.322 10.326 1.00 1.00 H new ATOM 0 HD12 ILE A 41 39.548 -12.567 9.770 1.00 1.00 H new ATOM 0 HD13 ILE A 41 37.981 -13.045 10.467 1.00 1.00 H new ATOM 637 N ARG A 42 42.525 -15.873 11.001 1.00 1.00 N ATOM 638 CA ARG A 42 43.082 -17.225 11.090 1.00 1.00 C ATOM 639 C ARG A 42 44.306 -17.348 10.189 1.00 1.00 C ATOM 640 O ARG A 42 44.232 -17.892 9.089 1.00 1.00 O ATOM 641 CB ARG A 42 42.018 -18.247 10.684 1.00 1.00 C ATOM 642 CG ARG A 42 42.568 -19.665 10.838 1.00 1.00 C ATOM 643 CD ARG A 42 41.439 -20.670 10.596 1.00 1.00 C ATOM 644 NE ARG A 42 40.912 -20.515 9.246 1.00 1.00 N ATOM 645 CZ ARG A 42 39.823 -21.166 8.851 1.00 1.00 C ATOM 646 NH1 ARG A 42 39.236 -22.008 9.658 1.00 1.00 N ATOM 647 NH2 ARG A 42 39.346 -20.970 7.653 1.00 1.00 N ATOM 0 H ARG A 42 42.562 -15.463 10.068 1.00 1.00 H new ATOM 0 HA ARG A 42 43.388 -17.420 12.118 1.00 1.00 H new ATOM 0 HB2 ARG A 42 41.129 -18.124 11.303 1.00 1.00 H new ATOM 0 HB3 ARG A 42 41.714 -18.076 9.651 1.00 1.00 H new ATOM 0 HG2 ARG A 42 43.379 -19.833 10.129 1.00 1.00 H new ATOM 0 HG3 ARG A 42 42.984 -19.800 11.836 1.00 1.00 H new ATOM 0 HD2 ARG A 42 41.809 -21.686 10.736 1.00 1.00 H new ATOM 0 HD3 ARG A 42 40.643 -20.518 11.325 1.00 1.00 H new ATOM 0 HE ARG A 42 41.389 -19.895 8.591 1.00 1.00 H new ATOM 0 HH11 ARG A 42 39.613 -22.166 10.592 1.00 1.00 H new ATOM 0 HH12 ARG A 42 38.400 -22.507 9.354 1.00 1.00 H new ATOM 0 HH21 ARG A 42 39.809 -20.317 7.020 1.00 1.00 H new ATOM 0 HH22 ARG A 42 38.510 -21.469 7.349 1.00 1.00 H new ATOM 661 N LYS A 43 45.434 -16.829 10.672 1.00 1.00 N ATOM 662 CA LYS A 43 46.683 -16.866 9.925 1.00 1.00 C ATOM 663 C LYS A 43 47.853 -17.122 10.882 1.00 1.00 C ATOM 664 O LYS A 43 47.862 -16.625 12.007 1.00 1.00 O ATOM 665 CB LYS A 43 46.872 -15.520 9.184 1.00 1.00 C ATOM 666 CG LYS A 43 46.168 -15.548 7.798 1.00 1.00 C ATOM 667 CD LYS A 43 47.184 -15.837 6.680 1.00 1.00 C ATOM 668 CE LYS A 43 47.712 -17.265 6.814 1.00 1.00 C ATOM 669 NZ LYS A 43 48.501 -17.615 5.601 1.00 1.00 N ATOM 0 H LYS A 43 45.505 -16.376 11.583 1.00 1.00 H new ATOM 0 HA LYS A 43 46.653 -17.674 9.194 1.00 1.00 H new ATOM 0 HB2 LYS A 43 46.466 -14.708 9.787 1.00 1.00 H new ATOM 0 HB3 LYS A 43 47.935 -15.318 9.053 1.00 1.00 H new ATOM 0 HG2 LYS A 43 45.389 -16.311 7.795 1.00 1.00 H new ATOM 0 HG3 LYS A 43 45.678 -14.592 7.613 1.00 1.00 H new ATOM 0 HD2 LYS A 43 46.714 -15.704 5.706 1.00 1.00 H new ATOM 0 HD3 LYS A 43 48.010 -15.128 6.735 1.00 1.00 H new ATOM 0 HE2 LYS A 43 48.335 -17.352 7.704 1.00 1.00 H new ATOM 0 HE3 LYS A 43 46.882 -17.962 6.936 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 48.861 -18.586 5.690 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 47.893 -17.547 4.760 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 49.300 -16.957 5.505 1.00 1.00 H new ATOM 683 N GLY A 44 48.831 -17.903 10.431 1.00 1.00 N ATOM 684 CA GLY A 44 49.994 -18.220 11.267 1.00 1.00 C ATOM 685 C GLY A 44 50.751 -16.961 11.686 1.00 1.00 C ATOM 686 O GLY A 44 50.782 -16.617 12.864 1.00 1.00 O ATOM 0 H GLY A 44 48.846 -18.326 9.503 1.00 1.00 H new ATOM 0 HA2 GLY A 44 49.667 -18.760 12.155 1.00 1.00 H new ATOM 0 HA3 GLY A 44 50.665 -18.883 10.720 1.00 1.00 H new ATOM 690 N GLN A 45 51.362 -16.276 10.720 1.00 1.00 N ATOM 691 CA GLN A 45 52.125 -15.053 11.026 1.00 1.00 C ATOM 692 C GLN A 45 52.990 -15.246 12.268 1.00 1.00 C ATOM 693 O GLN A 45 52.861 -14.512 13.249 1.00 1.00 O ATOM 694 CB GLN A 45 51.162 -13.890 11.264 1.00 1.00 C ATOM 695 CG GLN A 45 50.507 -13.490 9.945 1.00 1.00 C ATOM 696 CD GLN A 45 49.493 -12.376 10.188 1.00 1.00 C ATOM 697 OE1 GLN A 45 49.804 -11.388 10.853 1.00 1.00 O ATOM 698 NE2 GLN A 45 48.291 -12.478 9.691 1.00 1.00 N ATOM 0 H GLN A 45 51.349 -16.536 9.734 1.00 1.00 H new ATOM 0 HA GLN A 45 52.772 -14.835 10.177 1.00 1.00 H new ATOM 0 HB2 GLN A 45 50.400 -14.178 11.988 1.00 1.00 H new ATOM 0 HB3 GLN A 45 51.699 -13.041 11.687 1.00 1.00 H new ATOM 0 HG2 GLN A 45 51.266 -13.155 9.238 1.00 1.00 H new ATOM 0 HG3 GLN A 45 50.013 -14.352 9.497 1.00 1.00 H new ATOM 0 HE21 GLN A 45 48.035 -13.297 9.140 1.00 1.00 H new ATOM 0 HE22 GLN A 45 47.608 -11.738 9.853 1.00 1.00 H new ATOM 707 N ARG A 46 53.881 -16.229 12.205 1.00 1.00 N ATOM 708 CA ARG A 46 54.794 -16.532 13.316 1.00 1.00 C ATOM 709 C ARG A 46 56.116 -17.083 12.782 1.00 1.00 C ATOM 710 O ARG A 46 57.049 -17.328 13.546 1.00 1.00 O ATOM 711 CB ARG A 46 54.162 -17.557 14.278 1.00 1.00 C ATOM 712 CG ARG A 46 53.099 -16.872 15.145 1.00 1.00 C ATOM 713 CD ARG A 46 52.380 -17.910 16.009 1.00 1.00 C ATOM 714 NE ARG A 46 51.387 -17.248 16.852 1.00 1.00 N ATOM 715 CZ ARG A 46 50.319 -17.896 17.308 1.00 1.00 C ATOM 716 NH1 ARG A 46 50.120 -19.145 16.985 1.00 1.00 N ATOM 717 NH2 ARG A 46 49.461 -17.277 18.073 1.00 1.00 N ATOM 0 H ARG A 46 53.996 -16.837 11.394 1.00 1.00 H new ATOM 0 HA ARG A 46 54.982 -15.606 13.860 1.00 1.00 H new ATOM 0 HB2 ARG A 46 53.712 -18.372 13.711 1.00 1.00 H new ATOM 0 HB3 ARG A 46 54.932 -17.997 14.911 1.00 1.00 H new ATOM 0 HG2 ARG A 46 53.566 -16.119 15.780 1.00 1.00 H new ATOM 0 HG3 ARG A 46 52.380 -16.353 14.511 1.00 1.00 H new ATOM 0 HD2 ARG A 46 51.896 -18.652 15.375 1.00 1.00 H new ATOM 0 HD3 ARG A 46 53.101 -18.443 16.630 1.00 1.00 H new ATOM 0 HE ARG A 46 51.516 -16.266 17.096 1.00 1.00 H new ATOM 0 HH11 ARG A 46 50.785 -19.628 16.381 1.00 1.00 H new ATOM 0 HH12 ARG A 46 49.300 -19.638 17.337 1.00 1.00 H new ATOM 0 HH21 ARG A 46 49.611 -16.299 18.320 1.00 1.00 H new ATOM 0 HH22 ARG A 46 48.641 -17.772 18.424 1.00 1.00 H new ATOM 731 N ASP A 47 56.185 -17.282 11.466 1.00 1.00 N ATOM 732 CA ASP A 47 57.399 -17.812 10.843 1.00 1.00 C ATOM 733 C ASP A 47 58.419 -16.708 10.633 1.00 1.00 C ATOM 734 O ASP A 47 59.619 -16.966 10.530 1.00 1.00 O ATOM 735 CB ASP A 47 57.081 -18.465 9.493 1.00 1.00 C ATOM 736 CG ASP A 47 56.229 -19.710 9.703 1.00 1.00 C ATOM 737 OD1 ASP A 47 56.154 -20.169 10.832 1.00 1.00 O ATOM 738 OD2 ASP A 47 55.662 -20.187 8.734 1.00 1.00 O ATOM 0 H ASP A 47 55.424 -17.087 10.816 1.00 1.00 H new ATOM 0 HA ASP A 47 57.812 -18.564 11.515 1.00 1.00 H new ATOM 0 HB2 ASP A 47 56.554 -17.758 8.853 1.00 1.00 H new ATOM 0 HB3 ASP A 47 58.006 -18.730 8.981 1.00 1.00 H new ATOM 743 N LEU A 48 57.938 -15.474 10.573 1.00 1.00 N ATOM 744 CA LEU A 48 58.826 -14.327 10.377 1.00 1.00 C ATOM 745 C LEU A 48 59.381 -13.854 11.717 1.00 1.00 C ATOM 746 O LEU A 48 60.209 -12.942 11.765 1.00 1.00 O ATOM 747 CB LEU A 48 58.073 -13.184 9.677 1.00 1.00 C ATOM 748 CG LEU A 48 57.933 -13.487 8.171 1.00 1.00 C ATOM 749 CD1 LEU A 48 56.811 -12.629 7.579 1.00 1.00 C ATOM 750 CD2 LEU A 48 59.242 -13.165 7.426 1.00 1.00 C ATOM 0 H LEU A 48 56.949 -15.238 10.656 1.00 1.00 H new ATOM 0 HA LEU A 48 59.659 -14.634 9.744 1.00 1.00 H new ATOM 0 HB2 LEU A 48 57.087 -13.060 10.124 1.00 1.00 H new ATOM 0 HB3 LEU A 48 58.608 -12.245 9.819 1.00 1.00 H new ATOM 0 HG LEU A 48 57.705 -14.546 8.055 1.00 1.00 H new ATOM 0 HD11 LEU A 48 56.712 -12.843 6.515 1.00 1.00 H new ATOM 0 HD12 LEU A 48 55.873 -12.858 8.084 1.00 1.00 H new ATOM 0 HD13 LEU A 48 57.049 -11.574 7.716 1.00 1.00 H new ATOM 0 HD21 LEU A 48 59.121 -13.386 6.366 1.00 1.00 H new ATOM 0 HD22 LEU A 48 59.482 -12.109 7.551 1.00 1.00 H new ATOM 0 HD23 LEU A 48 60.051 -13.772 7.833 1.00 1.00 H new ATOM 762 N TYR A 49 58.928 -14.485 12.804 1.00 1.00 N ATOM 763 CA TYR A 49 59.396 -14.128 14.149 1.00 1.00 C ATOM 764 C TYR A 49 60.166 -15.286 14.788 1.00 1.00 C ATOM 765 O TYR A 49 61.164 -15.068 15.473 1.00 1.00 O ATOM 766 CB TYR A 49 58.208 -13.735 15.037 1.00 1.00 C ATOM 767 CG TYR A 49 57.534 -12.515 14.454 1.00 1.00 C ATOM 768 CD1 TYR A 49 57.985 -11.235 14.791 1.00 1.00 C ATOM 769 CD2 TYR A 49 56.456 -12.667 13.572 1.00 1.00 C ATOM 770 CE1 TYR A 49 57.361 -10.106 14.247 1.00 1.00 C ATOM 771 CE2 TYR A 49 55.831 -11.539 13.029 1.00 1.00 C ATOM 772 CZ TYR A 49 56.282 -10.259 13.366 1.00 1.00 C ATOM 773 OH TYR A 49 55.668 -9.145 12.829 1.00 1.00 O ATOM 0 H TYR A 49 58.243 -15.240 12.782 1.00 1.00 H new ATOM 0 HA TYR A 49 60.071 -13.277 14.057 1.00 1.00 H new ATOM 0 HB2 TYR A 49 57.499 -14.560 15.103 1.00 1.00 H new ATOM 0 HB3 TYR A 49 58.550 -13.527 16.051 1.00 1.00 H new ATOM 0 HD1 TYR A 49 58.815 -11.117 15.471 1.00 1.00 H new ATOM 0 HD2 TYR A 49 56.107 -13.655 13.311 1.00 1.00 H new ATOM 0 HE1 TYR A 49 57.711 -9.118 14.506 1.00 1.00 H new ATOM 0 HE2 TYR A 49 55.000 -11.657 12.349 1.00 1.00 H new ATOM 0 HH TYR A 49 54.939 -9.426 12.238 1.00 1.00 H new ATOM 783 N SER A 50 59.704 -16.513 14.557 1.00 1.00 N ATOM 784 CA SER A 50 60.372 -17.685 15.118 1.00 1.00 C ATOM 785 C SER A 50 61.783 -17.832 14.553 1.00 1.00 C ATOM 786 O SER A 50 62.734 -18.103 15.286 1.00 1.00 O ATOM 787 CB SER A 50 59.565 -18.944 14.808 1.00 1.00 C ATOM 788 OG SER A 50 60.372 -20.090 15.040 1.00 1.00 O ATOM 0 H SER A 50 58.880 -16.720 13.992 1.00 1.00 H new ATOM 0 HA SER A 50 60.441 -17.551 16.198 1.00 1.00 H new ATOM 0 HB2 SER A 50 58.673 -18.981 15.433 1.00 1.00 H new ATOM 0 HB3 SER A 50 59.227 -18.927 13.772 1.00 1.00 H new ATOM 0 HG SER A 50 59.855 -20.899 14.843 1.00 1.00 H new ATOM 794 N GLY A 51 61.903 -17.659 13.243 1.00 1.00 N ATOM 795 CA GLY A 51 63.205 -17.784 12.574 1.00 1.00 C ATOM 796 C GLY A 51 64.092 -16.573 12.843 1.00 1.00 C ATOM 797 O GLY A 51 65.310 -16.638 12.679 1.00 1.00 O ATOM 0 H GLY A 51 61.126 -17.434 12.622 1.00 1.00 H new ATOM 0 HA2 GLY A 51 63.707 -18.688 12.920 1.00 1.00 H new ATOM 0 HA3 GLY A 51 63.054 -17.894 11.500 1.00 1.00 H new ATOM 801 N LEU A 52 63.479 -15.466 13.250 1.00 1.00 N ATOM 802 CA LEU A 52 64.239 -14.242 13.530 1.00 1.00 C ATOM 803 C LEU A 52 64.784 -14.268 14.957 1.00 1.00 C ATOM 804 O LEU A 52 65.532 -13.379 15.365 1.00 1.00 O ATOM 805 CB LEU A 52 63.354 -12.997 13.332 1.00 1.00 C ATOM 806 CG LEU A 52 63.189 -12.688 11.831 1.00 1.00 C ATOM 807 CD1 LEU A 52 64.489 -12.104 11.243 1.00 1.00 C ATOM 808 CD2 LEU A 52 62.814 -13.971 11.075 1.00 1.00 C ATOM 0 H LEU A 52 62.472 -15.386 13.393 1.00 1.00 H new ATOM 0 HA LEU A 52 65.075 -14.194 12.832 1.00 1.00 H new ATOM 0 HB2 LEU A 52 62.377 -13.162 13.785 1.00 1.00 H new ATOM 0 HB3 LEU A 52 63.800 -12.141 13.839 1.00 1.00 H new ATOM 0 HG LEU A 52 62.395 -11.949 11.718 1.00 1.00 H new ATOM 0 HD11 LEU A 52 64.347 -11.894 10.183 1.00 1.00 H new ATOM 0 HD12 LEU A 52 64.742 -11.181 11.765 1.00 1.00 H new ATOM 0 HD13 LEU A 52 65.299 -12.823 11.365 1.00 1.00 H new ATOM 0 HD21 LEU A 52 62.698 -13.748 10.014 1.00 1.00 H new ATOM 0 HD22 LEU A 52 63.601 -14.714 11.206 1.00 1.00 H new ATOM 0 HD23 LEU A 52 61.876 -14.364 11.467 1.00 1.00 H new ATOM 820 N ASN A 53 64.414 -15.305 15.708 1.00 1.00 N ATOM 821 CA ASN A 53 64.877 -15.464 17.092 1.00 1.00 C ATOM 822 C ASN A 53 65.477 -16.849 17.289 1.00 1.00 C ATOM 823 O ASN A 53 65.066 -17.593 18.179 1.00 1.00 O ATOM 824 CB ASN A 53 63.715 -15.254 18.072 1.00 1.00 C ATOM 825 CG ASN A 53 63.238 -13.807 18.005 1.00 1.00 C ATOM 826 OD1 ASN A 53 64.051 -12.887 17.937 1.00 1.00 O ATOM 827 ND2 ASN A 53 61.958 -13.549 18.015 1.00 1.00 N ATOM 0 H ASN A 53 63.795 -16.049 15.384 1.00 1.00 H new ATOM 0 HA ASN A 53 65.643 -14.714 17.289 1.00 1.00 H new ATOM 0 HB2 ASN A 53 62.895 -15.929 17.828 1.00 1.00 H new ATOM 0 HB3 ASN A 53 64.034 -15.495 19.086 1.00 1.00 H new ATOM 0 HD21 ASN A 53 61.632 -12.584 17.966 1.00 1.00 H new ATOM 0 HD22 ASN A 53 61.284 -14.313 18.071 1.00 1.00 H new ATOM 834 N GLN A 54 66.462 -17.188 16.457 1.00 1.00 N ATOM 835 CA GLN A 54 67.121 -18.488 16.558 1.00 1.00 C ATOM 836 C GLN A 54 67.963 -18.559 17.831 1.00 1.00 C ATOM 837 O GLN A 54 69.011 -19.205 17.856 1.00 1.00 O ATOM 838 CB GLN A 54 68.018 -18.735 15.330 1.00 1.00 C ATOM 839 CG GLN A 54 67.378 -18.116 14.073 1.00 1.00 C ATOM 840 CD GLN A 54 67.777 -16.646 13.938 1.00 1.00 C ATOM 841 OE1 GLN A 54 67.028 -15.757 14.341 1.00 1.00 O ATOM 842 NE2 GLN A 54 68.922 -16.341 13.390 1.00 1.00 N ATOM 0 H GLN A 54 66.817 -16.587 15.713 1.00 1.00 H new ATOM 0 HA GLN A 54 66.351 -19.259 16.595 1.00 1.00 H new ATOM 0 HB2 GLN A 54 69.004 -18.301 15.497 1.00 1.00 H new ATOM 0 HB3 GLN A 54 68.162 -19.806 15.185 1.00 1.00 H new ATOM 0 HG2 GLN A 54 67.694 -18.668 13.188 1.00 1.00 H new ATOM 0 HG3 GLN A 54 66.293 -18.201 14.131 1.00 1.00 H new ATOM 0 HE21 GLN A 54 69.541 -17.080 13.057 1.00 1.00 H new ATOM 0 HE22 GLN A 54 69.198 -15.364 13.295 1.00 1.00 H new ATOM 851 N ARG A 55 67.499 -17.885 18.879 1.00 1.00 N ATOM 852 CA ARG A 55 68.215 -17.870 20.154 1.00 1.00 C ATOM 853 C ARG A 55 69.522 -17.100 20.027 1.00 1.00 C ATOM 854 O ARG A 55 70.330 -17.361 19.137 1.00 1.00 O ATOM 855 CB ARG A 55 68.512 -19.301 20.607 1.00 1.00 C ATOM 856 CG ARG A 55 68.745 -19.337 22.128 1.00 1.00 C ATOM 857 CD ARG A 55 67.428 -19.077 22.896 1.00 1.00 C ATOM 858 NE ARG A 55 67.410 -17.709 23.402 1.00 1.00 N ATOM 859 CZ ARG A 55 66.324 -17.200 23.976 1.00 1.00 C ATOM 860 NH1 ARG A 55 65.241 -17.920 24.075 1.00 1.00 N ATOM 861 NH2 ARG A 55 66.341 -15.979 24.436 1.00 1.00 N ATOM 0 H ARG A 55 66.634 -17.344 18.873 1.00 1.00 H new ATOM 0 HA ARG A 55 67.584 -17.377 20.893 1.00 1.00 H new ATOM 0 HB2 ARG A 55 67.680 -19.954 20.343 1.00 1.00 H new ATOM 0 HB3 ARG A 55 69.392 -19.680 20.087 1.00 1.00 H new ATOM 0 HG2 ARG A 55 69.152 -20.307 22.414 1.00 1.00 H new ATOM 0 HG3 ARG A 55 69.486 -18.586 22.404 1.00 1.00 H new ATOM 0 HD2 ARG A 55 66.575 -19.242 22.238 1.00 1.00 H new ATOM 0 HD3 ARG A 55 67.334 -19.781 23.723 1.00 1.00 H new ATOM 0 HE ARG A 55 68.246 -17.132 23.314 1.00 1.00 H new ATOM 0 HH11 ARG A 55 65.227 -18.873 23.712 1.00 1.00 H new ATOM 0 HH12 ARG A 55 64.408 -17.530 24.515 1.00 1.00 H new ATOM 0 HH21 ARG A 55 67.187 -15.415 24.355 1.00 1.00 H new ATOM 0 HH22 ARG A 55 65.508 -15.588 24.876 1.00 1.00 H new ATOM 875 N ALA A 56 69.716 -16.154 20.930 1.00 1.00 N ATOM 876 CA ALA A 56 70.933 -15.338 20.927 1.00 1.00 C ATOM 877 C ALA A 56 70.996 -14.500 19.658 1.00 1.00 C ATOM 878 O ALA A 56 71.885 -14.673 18.825 1.00 1.00 O ATOM 879 CB ALA A 56 72.172 -16.234 21.013 1.00 1.00 C ATOM 0 H ALA A 56 69.055 -15.928 21.673 1.00 1.00 H new ATOM 0 HA ALA A 56 70.911 -14.677 21.794 1.00 1.00 H new ATOM 0 HB1 ALA A 56 73.069 -15.615 21.010 1.00 1.00 H new ATOM 0 HB2 ALA A 56 72.136 -16.817 21.933 1.00 1.00 H new ATOM 0 HB3 ALA A 56 72.193 -16.908 20.157 1.00 1.00 H new ATOM 885 N VAL A 57 70.041 -13.595 19.522 1.00 1.00 N ATOM 886 CA VAL A 57 69.980 -12.726 18.351 1.00 1.00 C ATOM 887 C VAL A 57 71.313 -12.018 18.139 1.00 1.00 C ATOM 888 O VAL A 57 71.561 -11.044 18.831 1.00 1.00 O ATOM 889 CB VAL A 57 68.869 -11.685 18.523 1.00 1.00 C ATOM 890 CG1 VAL A 57 68.565 -11.031 17.173 1.00 1.00 C ATOM 891 CG2 VAL A 57 67.606 -12.369 19.052 1.00 1.00 C ATOM 892 OXT VAL A 57 72.068 -12.459 17.288 1.00 1.00 O ATOM 0 H VAL A 57 69.298 -13.441 20.204 1.00 1.00 H new ATOM 0 HA VAL A 57 69.765 -13.343 17.479 1.00 1.00 H new ATOM 0 HB VAL A 57 69.195 -10.923 19.231 1.00 1.00 H new ATOM 0 HG11 VAL A 57 67.775 -10.291 17.297 1.00 1.00 H new ATOM 0 HG12 VAL A 57 69.463 -10.543 16.795 1.00 1.00 H new ATOM 0 HG13 VAL A 57 68.240 -11.793 16.464 1.00 1.00 H new ATOM 0 HG21 VAL A 57 66.815 -11.629 19.174 1.00 1.00 H new ATOM 0 HG22 VAL A 57 67.282 -13.132 18.344 1.00 1.00 H new ATOM 0 HG23 VAL A 57 67.820 -12.834 20.014 1.00 1.00 H new TER 902 VAL A 57