USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 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 ALA N :NH3+ -108:sc= 0.0817 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.806 USER MOD Single : A 38 THR OG1 : rot 155:sc= -1.42! USER MOD Single : A 45 GLN : amide:sc= -3.52! C(o=-3.5!,f=-1.7!) USER MOD Single : A 48 ASN : amide:sc= -0.35 K(o=-0.35,f=-2.3!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 56:sc= 0.366 USER MOD Single : A 55 GLN : amide:sc= -7.31! C(o=-7.3!,f=-11!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -40:sc= -0.719 USER MOD Single : A 75 SER OG : rot 134:sc= -1.05! USER MOD Single : A 92 SER OG : rot 105:sc= -3.89 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.221 -17.994 -17.949 1.00 0.00 N ATOM 2 CA ALA A 1 9.090 -18.320 -18.860 1.00 0.00 C ATOM 3 C ALA A 1 7.848 -17.509 -18.504 1.00 0.00 C ATOM 4 O ALA A 1 7.719 -17.013 -17.381 1.00 0.00 O ATOM 5 CB ALA A 1 8.778 -19.808 -18.801 1.00 0.00 C ATOM 0 H1 ALA A 1 10.934 -17.441 -18.465 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.869 -17.438 -17.143 1.00 0.00 H new ATOM 0 H3 ALA A 1 10.651 -18.875 -17.601 1.00 0.00 H new ATOM 0 HA ALA A 1 9.388 -18.059 -19.875 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.949 -20.033 -19.472 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.656 -20.376 -19.107 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.505 -20.082 -17.782 1.00 0.00 H new ATOM 13 N VAL A 2 6.942 -17.368 -19.463 1.00 0.00 N ATOM 14 CA VAL A 2 5.714 -16.611 -19.248 1.00 0.00 C ATOM 15 C VAL A 2 4.836 -17.279 -18.204 1.00 0.00 C ATOM 16 O VAL A 2 4.473 -18.447 -18.340 1.00 0.00 O ATOM 17 CB VAL A 2 4.899 -16.476 -20.546 1.00 0.00 C ATOM 18 CG1 VAL A 2 5.621 -15.590 -21.544 1.00 0.00 C ATOM 19 CG2 VAL A 2 4.615 -17.846 -21.148 1.00 0.00 C ATOM 0 H VAL A 2 7.034 -17.767 -20.397 1.00 0.00 H new ATOM 0 HA VAL A 2 6.016 -15.622 -18.903 1.00 0.00 H new ATOM 0 HB VAL A 2 3.946 -16.007 -20.302 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.027 -15.508 -22.454 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.764 -14.599 -21.114 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.591 -16.026 -21.782 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.038 -17.728 -22.065 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.557 -18.346 -21.374 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.047 -18.445 -20.436 1.00 0.00 H new ATOM 29 N LEU A 3 4.483 -16.533 -17.167 1.00 0.00 N ATOM 30 CA LEU A 3 3.649 -17.037 -16.132 1.00 0.00 C ATOM 31 C LEU A 3 2.200 -16.788 -16.395 1.00 0.00 C ATOM 32 O LEU A 3 1.806 -15.780 -16.985 1.00 0.00 O ATOM 33 CB LEU A 3 3.995 -16.431 -14.790 1.00 0.00 C ATOM 34 CG LEU A 3 4.945 -17.266 -13.962 1.00 0.00 C ATOM 35 CD1 LEU A 3 4.864 -18.691 -14.449 1.00 0.00 C ATOM 36 CD2 LEU A 3 6.368 -16.738 -14.057 1.00 0.00 C ATOM 0 H LEU A 3 4.776 -15.565 -17.037 1.00 0.00 H new ATOM 0 HA LEU A 3 3.829 -18.112 -16.112 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.438 -15.448 -14.951 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.076 -16.278 -14.225 1.00 0.00 H new ATOM 0 HG LEU A 3 4.659 -17.215 -12.911 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.542 -19.314 -13.866 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.844 -19.058 -14.333 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.147 -18.733 -15.501 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.028 -17.359 -13.451 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.697 -16.765 -15.096 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.400 -15.711 -13.692 1.00 0.00 H new ATOM 48 N ASP A 4 1.408 -17.691 -15.873 1.00 0.00 N ATOM 49 CA ASP A 4 0.002 -17.576 -15.961 1.00 0.00 C ATOM 50 C ASP A 4 -0.577 -17.325 -14.583 1.00 0.00 C ATOM 51 O ASP A 4 -1.596 -16.648 -14.415 1.00 0.00 O ATOM 52 CB ASP A 4 -0.606 -18.825 -16.580 1.00 0.00 C ATOM 53 CG ASP A 4 -2.090 -18.670 -16.851 1.00 0.00 C ATOM 54 OD1 ASP A 4 -2.443 -17.988 -17.832 1.00 0.00 O ATOM 55 OD2 ASP A 4 -2.893 -19.228 -16.074 1.00 0.00 O ATOM 0 H ASP A 4 1.735 -18.521 -15.378 1.00 0.00 H new ATOM 0 HA ASP A 4 -0.242 -16.733 -16.607 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.091 -19.053 -17.513 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.447 -19.672 -15.913 1.00 0.00 H new ATOM 60 N LEU A 5 0.080 -17.916 -13.604 1.00 0.00 N ATOM 61 CA LEU A 5 -0.339 -17.831 -12.224 1.00 0.00 C ATOM 62 C LEU A 5 0.106 -16.556 -11.498 1.00 0.00 C ATOM 63 O LEU A 5 0.259 -15.495 -12.101 1.00 0.00 O ATOM 64 CB LEU A 5 0.084 -19.100 -11.457 1.00 0.00 C ATOM 65 CG LEU A 5 1.573 -19.247 -11.091 1.00 0.00 C ATOM 66 CD1 LEU A 5 2.456 -18.299 -11.892 1.00 0.00 C ATOM 67 CD2 LEU A 5 1.772 -19.037 -9.595 1.00 0.00 C ATOM 0 H LEU A 5 0.924 -18.471 -13.747 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.427 -17.767 -12.244 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.495 -19.144 -10.535 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.202 -19.965 -12.055 1.00 0.00 H new ATOM 0 HG LEU A 5 1.877 -20.261 -11.350 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.497 -18.438 -11.601 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.346 -18.510 -12.956 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.158 -17.269 -11.694 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.829 -19.144 -9.350 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.435 -18.038 -9.320 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.195 -19.779 -9.043 1.00 0.00 H new ATOM 79 N ASP A 6 0.287 -16.686 -10.185 1.00 0.00 N ATOM 80 CA ASP A 6 0.686 -15.594 -9.316 1.00 0.00 C ATOM 81 C ASP A 6 2.194 -15.420 -9.280 1.00 0.00 C ATOM 82 O ASP A 6 2.710 -14.405 -8.813 1.00 0.00 O ATOM 83 CB ASP A 6 0.176 -15.886 -7.913 1.00 0.00 C ATOM 84 CG ASP A 6 -1.150 -15.209 -7.618 1.00 0.00 C ATOM 85 OD1 ASP A 6 -2.068 -15.312 -8.458 1.00 0.00 O ATOM 86 OD2 ASP A 6 -1.269 -14.579 -6.546 1.00 0.00 O ATOM 0 H ASP A 6 0.157 -17.570 -9.693 1.00 0.00 H new ATOM 0 HA ASP A 6 0.259 -14.669 -9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.065 -16.963 -7.788 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.917 -15.556 -7.185 1.00 0.00 H new ATOM 91 N VAL A 7 2.880 -16.411 -9.799 1.00 0.00 N ATOM 92 CA VAL A 7 4.296 -16.419 -9.877 1.00 0.00 C ATOM 93 C VAL A 7 4.719 -15.603 -11.092 1.00 0.00 C ATOM 94 O VAL A 7 5.877 -15.586 -11.502 1.00 0.00 O ATOM 95 CB VAL A 7 4.730 -17.877 -9.922 1.00 0.00 C ATOM 96 CG1 VAL A 7 5.361 -18.194 -11.205 1.00 0.00 C ATOM 97 CG2 VAL A 7 5.609 -18.250 -8.741 1.00 0.00 C ATOM 0 H VAL A 7 2.444 -17.249 -10.185 1.00 0.00 H new ATOM 0 HA VAL A 7 4.781 -15.955 -9.018 1.00 0.00 H new ATOM 0 HB VAL A 7 3.833 -18.491 -9.837 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.663 -19.241 -11.213 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.652 -18.014 -12.013 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.238 -17.563 -11.345 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.894 -19.299 -8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.505 -17.630 -8.744 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.060 -18.089 -7.813 1.00 0.00 H new ATOM 107 N ARG A 8 3.731 -14.931 -11.677 1.00 0.00 N ATOM 108 CA ARG A 8 3.940 -14.146 -12.842 1.00 0.00 C ATOM 109 C ARG A 8 4.872 -12.973 -12.553 1.00 0.00 C ATOM 110 O ARG A 8 4.980 -12.529 -11.408 1.00 0.00 O ATOM 111 CB ARG A 8 2.589 -13.617 -13.322 1.00 0.00 C ATOM 112 CG ARG A 8 1.821 -14.553 -14.232 1.00 0.00 C ATOM 113 CD ARG A 8 0.417 -14.036 -14.490 1.00 0.00 C ATOM 114 NE ARG A 8 -0.203 -14.681 -15.644 1.00 0.00 N ATOM 115 CZ ARG A 8 -1.428 -14.404 -16.087 1.00 0.00 C ATOM 116 NH1 ARG A 8 -2.172 -13.494 -15.472 1.00 0.00 N ATOM 117 NH2 ARG A 8 -1.909 -15.037 -17.149 1.00 0.00 N ATOM 0 H ARG A 8 2.769 -14.930 -11.339 1.00 0.00 H new ATOM 0 HA ARG A 8 4.404 -14.766 -13.609 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.973 -13.395 -12.451 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.750 -12.675 -13.847 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.351 -14.661 -15.178 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.770 -15.544 -13.780 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.199 -14.205 -13.607 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.452 -12.959 -14.653 1.00 0.00 H new ATOM 0 HE ARG A 8 0.336 -15.389 -16.143 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.806 -13.003 -14.656 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.110 -13.285 -15.815 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.341 -15.736 -17.627 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.847 -14.824 -17.488 1.00 0.00 H new ATOM 131 N THR A 9 5.544 -12.471 -13.583 1.00 0.00 N ATOM 132 CA THR A 9 6.448 -11.360 -13.418 1.00 0.00 C ATOM 133 C THR A 9 6.804 -10.706 -14.757 1.00 0.00 C ATOM 134 O THR A 9 7.908 -10.886 -15.271 1.00 0.00 O ATOM 135 CB THR A 9 7.712 -11.805 -12.713 1.00 0.00 C ATOM 136 OG1 THR A 9 7.571 -13.099 -12.150 1.00 0.00 O ATOM 137 CG2 THR A 9 8.151 -10.864 -11.612 1.00 0.00 C ATOM 0 H THR A 9 5.474 -12.822 -14.538 1.00 0.00 H new ATOM 0 HA THR A 9 5.935 -10.616 -12.808 1.00 0.00 H new ATOM 0 HB THR A 9 8.474 -11.809 -13.492 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.406 -13.355 -11.704 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.062 -11.244 -11.150 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.342 -9.876 -12.032 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.366 -10.793 -10.860 1.00 0.00 H new ATOM 145 N CYS A 10 5.867 -9.936 -15.308 1.00 0.00 N ATOM 146 CA CYS A 10 6.087 -9.238 -16.579 1.00 0.00 C ATOM 147 C CYS A 10 7.441 -8.519 -16.610 1.00 0.00 C ATOM 148 O CYS A 10 8.127 -8.431 -15.597 1.00 0.00 O ATOM 149 CB CYS A 10 4.962 -8.230 -16.825 1.00 0.00 C ATOM 150 SG CYS A 10 3.775 -8.736 -18.109 1.00 0.00 S ATOM 0 H CYS A 10 4.947 -9.778 -14.896 1.00 0.00 H new ATOM 0 HA CYS A 10 6.089 -9.989 -17.369 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.423 -8.069 -15.891 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.402 -7.274 -17.109 1.00 0.00 H new ATOM 155 N LEU A 11 7.811 -7.998 -17.783 1.00 0.00 N ATOM 156 CA LEU A 11 9.078 -7.282 -17.941 1.00 0.00 C ATOM 157 C LEU A 11 9.044 -5.954 -17.190 1.00 0.00 C ATOM 158 O LEU A 11 8.390 -5.003 -17.624 1.00 0.00 O ATOM 159 CB LEU A 11 9.366 -7.040 -19.426 1.00 0.00 C ATOM 160 CG LEU A 11 9.815 -8.277 -20.207 1.00 0.00 C ATOM 161 CD1 LEU A 11 8.778 -9.386 -20.097 1.00 0.00 C ATOM 162 CD2 LEU A 11 10.065 -7.923 -21.665 1.00 0.00 C ATOM 0 H LEU A 11 7.253 -8.059 -18.634 1.00 0.00 H new ATOM 0 HA LEU A 11 9.875 -7.896 -17.521 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.467 -6.639 -19.895 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.138 -6.275 -19.511 1.00 0.00 H new ATOM 0 HG LEU A 11 10.748 -8.637 -19.774 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.116 -10.257 -20.659 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.646 -9.659 -19.050 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.828 -9.038 -20.503 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.384 -8.814 -22.206 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.147 -7.538 -22.109 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.844 -7.163 -21.726 1.00 0.00 H new ATOM 174 N PRO A 12 9.728 -5.873 -16.026 1.00 0.00 N ATOM 175 CA PRO A 12 9.741 -4.660 -15.205 1.00 0.00 C ATOM 176 C PRO A 12 9.999 -3.361 -15.975 1.00 0.00 C ATOM 177 O PRO A 12 10.374 -3.359 -17.149 1.00 0.00 O ATOM 178 CB PRO A 12 10.887 -4.887 -14.223 1.00 0.00 C ATOM 179 CG PRO A 12 11.098 -6.357 -14.148 1.00 0.00 C ATOM 180 CD PRO A 12 10.510 -6.969 -15.400 1.00 0.00 C ATOM 0 HA PRO A 12 8.759 -4.521 -14.752 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.792 -4.382 -14.561 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.643 -4.480 -13.242 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.161 -6.588 -14.072 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.618 -6.768 -13.260 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.292 -7.329 -16.069 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.875 -7.823 -15.163 1.00 0.00 H new ATOM 188 N CYS A 13 9.776 -2.258 -15.264 1.00 0.00 N ATOM 189 CA CYS A 13 9.936 -0.932 -15.772 1.00 0.00 C ATOM 190 C CYS A 13 10.316 0.006 -14.631 1.00 0.00 C ATOM 191 O CYS A 13 10.768 -0.438 -13.573 1.00 0.00 O ATOM 192 CB CYS A 13 8.639 -0.474 -16.449 1.00 0.00 C ATOM 193 SG CYS A 13 8.809 1.029 -17.472 1.00 0.00 S ATOM 0 H CYS A 13 9.470 -2.282 -14.291 1.00 0.00 H new ATOM 0 HA CYS A 13 10.733 -0.916 -16.516 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.265 -1.284 -17.075 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.888 -0.292 -15.681 1.00 0.00 H new ATOM 198 N GLY A 14 10.085 1.283 -14.852 1.00 0.00 N ATOM 199 CA GLY A 14 10.369 2.285 -13.846 1.00 0.00 C ATOM 200 C GLY A 14 11.791 2.205 -13.326 1.00 0.00 C ATOM 201 O GLY A 14 12.733 1.984 -14.084 1.00 0.00 O ATOM 0 H GLY A 14 9.700 1.652 -15.721 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.195 3.276 -14.266 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.675 2.166 -13.014 1.00 0.00 H new ATOM 205 N PRO A 15 11.962 2.429 -12.031 1.00 0.00 N ATOM 206 CA PRO A 15 13.263 2.423 -11.368 1.00 0.00 C ATOM 207 C PRO A 15 13.687 1.018 -10.925 1.00 0.00 C ATOM 208 O PRO A 15 13.542 0.653 -9.756 1.00 0.00 O ATOM 209 CB PRO A 15 12.970 3.333 -10.181 1.00 0.00 C ATOM 210 CG PRO A 15 11.599 2.945 -9.796 1.00 0.00 C ATOM 211 CD PRO A 15 10.881 2.766 -11.104 1.00 0.00 C ATOM 0 HA PRO A 15 14.091 2.747 -11.998 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.678 3.175 -9.367 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.029 4.386 -10.455 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.596 2.025 -9.211 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.125 3.713 -9.184 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.135 1.973 -11.049 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.360 3.674 -11.406 1.00 0.00 H new ATOM 219 N GLY A 16 14.205 0.234 -11.872 1.00 0.00 N ATOM 220 CA GLY A 16 14.638 -1.126 -11.576 1.00 0.00 C ATOM 221 C GLY A 16 13.624 -2.166 -12.025 1.00 0.00 C ATOM 222 O GLY A 16 13.899 -2.996 -12.894 1.00 0.00 O ATOM 0 H GLY A 16 14.333 0.518 -12.843 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.592 -1.316 -12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.807 -1.226 -10.504 1.00 0.00 H new ATOM 226 N GLY A 17 12.438 -2.090 -11.436 1.00 0.00 N ATOM 227 CA GLY A 17 11.361 -2.988 -11.768 1.00 0.00 C ATOM 228 C GLY A 17 10.126 -2.685 -10.967 1.00 0.00 C ATOM 229 O GLY A 17 9.360 -3.569 -10.576 1.00 0.00 O ATOM 0 H GLY A 17 12.205 -1.404 -10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.135 -2.909 -12.831 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.673 -4.016 -11.583 1.00 0.00 H new ATOM 233 N LYS A 18 9.959 -1.406 -10.746 1.00 0.00 N ATOM 234 CA LYS A 18 8.851 -0.848 -10.010 1.00 0.00 C ATOM 235 C LYS A 18 7.561 -1.027 -10.777 1.00 0.00 C ATOM 236 O LYS A 18 6.461 -1.071 -10.221 1.00 0.00 O ATOM 237 CB LYS A 18 9.108 0.630 -9.858 1.00 0.00 C ATOM 238 CG LYS A 18 9.579 1.059 -8.513 1.00 0.00 C ATOM 239 CD LYS A 18 10.464 0.021 -7.901 1.00 0.00 C ATOM 240 CE LYS A 18 10.958 0.442 -6.550 1.00 0.00 C ATOM 241 NZ LYS A 18 12.265 -0.182 -6.204 1.00 0.00 N ATOM 0 H LYS A 18 10.612 -0.700 -11.085 1.00 0.00 H new ATOM 0 HA LYS A 18 8.762 -1.348 -9.045 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.850 0.931 -10.598 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.189 1.168 -10.091 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.121 2.001 -8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.722 1.240 -7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.917 -0.918 -7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.314 -0.166 -8.557 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.058 1.527 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.219 0.173 -5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.565 0.140 -5.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.166 -1.217 -6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.979 0.095 -6.907 1.00 0.00 H new ATOM 255 N GLY A 19 7.740 -1.158 -12.057 1.00 0.00 N ATOM 256 CA GLY A 19 6.678 -1.370 -12.977 1.00 0.00 C ATOM 257 C GLY A 19 7.100 -2.288 -14.091 1.00 0.00 C ATOM 258 O GLY A 19 7.927 -3.172 -13.911 1.00 0.00 O ATOM 0 H GLY A 19 8.659 -1.118 -12.497 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.821 -1.796 -12.456 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.356 -0.415 -13.391 1.00 0.00 H new ATOM 262 N ARG A 20 6.511 -2.050 -15.232 1.00 0.00 N ATOM 263 CA ARG A 20 6.780 -2.806 -16.429 1.00 0.00 C ATOM 264 C ARG A 20 6.241 -2.041 -17.640 1.00 0.00 C ATOM 265 O ARG A 20 5.639 -0.984 -17.475 1.00 0.00 O ATOM 266 CB ARG A 20 6.144 -4.176 -16.303 1.00 0.00 C ATOM 267 CG ARG A 20 4.645 -4.104 -16.307 1.00 0.00 C ATOM 268 CD ARG A 20 4.053 -5.191 -17.165 1.00 0.00 C ATOM 269 NE ARG A 20 3.159 -6.074 -16.413 1.00 0.00 N ATOM 270 CZ ARG A 20 1.919 -6.375 -16.792 1.00 0.00 C ATOM 271 NH1 ARG A 20 1.421 -5.880 -17.920 1.00 0.00 N ATOM 272 NH2 ARG A 20 1.173 -7.176 -16.039 1.00 0.00 N ATOM 0 H ARG A 20 5.818 -1.312 -15.360 1.00 0.00 H new ATOM 0 HA ARG A 20 7.853 -2.941 -16.566 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.479 -4.808 -17.126 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.482 -4.649 -15.381 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.271 -4.196 -15.288 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.325 -3.130 -16.677 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.503 -4.739 -17.990 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.857 -5.782 -17.604 1.00 0.00 H new ATOM 0 HE ARG A 20 3.508 -6.483 -15.546 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.990 -5.265 -18.502 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.470 -6.115 -18.204 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.551 -7.559 -15.172 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.223 -7.408 -16.328 1.00 0.00 H new ATOM 286 N CYS A 21 6.420 -2.585 -18.840 1.00 0.00 N ATOM 287 CA CYS A 21 5.909 -1.939 -20.057 1.00 0.00 C ATOM 288 C CYS A 21 4.787 -2.780 -20.638 1.00 0.00 C ATOM 289 O CYS A 21 4.882 -4.007 -20.658 1.00 0.00 O ATOM 290 CB CYS A 21 7.057 -1.692 -21.062 1.00 0.00 C ATOM 291 SG CYS A 21 7.172 -2.826 -22.489 1.00 0.00 S ATOM 0 H CYS A 21 6.910 -3.465 -19.001 1.00 0.00 H new ATOM 0 HA CYS A 21 5.496 -0.959 -19.816 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.959 -0.676 -21.444 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.000 -1.738 -20.517 1.00 0.00 H new ATOM 296 N PHE A 22 3.679 -2.147 -21.022 1.00 0.00 N ATOM 297 CA PHE A 22 2.521 -2.893 -21.494 1.00 0.00 C ATOM 298 C PHE A 22 2.375 -2.918 -23.012 1.00 0.00 C ATOM 299 O PHE A 22 1.454 -3.552 -23.523 1.00 0.00 O ATOM 300 CB PHE A 22 1.274 -2.284 -20.854 1.00 0.00 C ATOM 301 CG PHE A 22 1.175 -2.542 -19.379 1.00 0.00 C ATOM 302 CD1 PHE A 22 2.293 -2.414 -18.561 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.031 -2.907 -18.803 1.00 0.00 C ATOM 304 CE1 PHE A 22 2.198 -2.646 -17.202 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.127 -3.140 -17.445 1.00 0.00 C ATOM 306 CZ PHE A 22 0.988 -3.009 -16.643 1.00 0.00 C ATOM 0 H PHE A 22 3.562 -1.134 -21.015 1.00 0.00 H new ATOM 0 HA PHE A 22 2.657 -3.934 -21.200 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.274 -1.208 -21.028 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.389 -2.687 -21.346 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.242 -2.131 -18.991 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.908 -3.011 -19.424 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.072 -2.543 -16.576 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.074 -3.425 -17.011 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.915 -3.190 -15.581 1.00 0.00 H new ATOM 316 N GLY A 23 3.270 -2.255 -23.750 1.00 0.00 N ATOM 317 CA GLY A 23 3.146 -2.300 -25.196 1.00 0.00 C ATOM 318 C GLY A 23 3.558 -1.046 -25.966 1.00 0.00 C ATOM 319 O GLY A 23 4.617 -1.042 -26.598 1.00 0.00 O ATOM 0 H GLY A 23 4.050 -1.708 -23.386 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.745 -3.134 -25.562 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.107 -2.522 -25.440 1.00 0.00 H new ATOM 323 N PRO A 24 2.720 0.008 -26.009 1.00 0.00 N ATOM 324 CA PRO A 24 3.019 1.201 -26.792 1.00 0.00 C ATOM 325 C PRO A 24 3.663 2.310 -25.979 1.00 0.00 C ATOM 326 O PRO A 24 2.972 3.180 -25.452 1.00 0.00 O ATOM 327 CB PRO A 24 1.629 1.607 -27.266 1.00 0.00 C ATOM 328 CG PRO A 24 0.716 1.229 -26.144 1.00 0.00 C ATOM 329 CD PRO A 24 1.390 0.115 -25.370 1.00 0.00 C ATOM 0 HA PRO A 24 3.742 1.015 -27.586 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.579 2.676 -27.474 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.359 1.090 -28.187 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.527 2.086 -25.498 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.249 0.900 -26.528 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.472 0.355 -24.310 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.833 -0.819 -25.443 1.00 0.00 H new ATOM 337 N SER A 25 4.993 2.271 -25.866 1.00 0.00 N ATOM 338 CA SER A 25 5.715 3.283 -25.094 1.00 0.00 C ATOM 339 C SER A 25 5.150 3.368 -23.688 1.00 0.00 C ATOM 340 O SER A 25 5.332 4.368 -22.994 1.00 0.00 O ATOM 341 CB SER A 25 5.559 4.653 -25.754 1.00 0.00 C ATOM 342 OG SER A 25 6.691 5.474 -25.519 1.00 0.00 O ATOM 0 H SER A 25 5.585 1.559 -26.294 1.00 0.00 H new ATOM 0 HA SER A 25 6.767 3.000 -25.058 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.416 4.527 -26.827 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.665 5.144 -25.369 1.00 0.00 H new ATOM 0 HG SER A 25 6.562 6.342 -25.955 1.00 0.00 H new ATOM 348 N ILE A 26 4.408 2.344 -23.296 1.00 0.00 N ATOM 349 CA ILE A 26 3.750 2.349 -22.015 1.00 0.00 C ATOM 350 C ILE A 26 4.472 1.553 -20.948 1.00 0.00 C ATOM 351 O ILE A 26 5.287 0.671 -21.222 1.00 0.00 O ATOM 352 CB ILE A 26 2.306 1.838 -22.156 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.396 2.617 -21.244 1.00 0.00 C ATOM 354 CG2 ILE A 26 2.190 0.362 -21.840 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.037 2.568 -21.717 1.00 0.00 C ATOM 0 H ILE A 26 4.251 1.503 -23.852 1.00 0.00 H new ATOM 0 HA ILE A 26 3.756 3.387 -21.682 1.00 0.00 H new ATOM 0 HB ILE A 26 2.010 1.982 -23.195 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.460 2.214 -20.233 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.729 3.654 -21.195 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.153 0.046 -21.953 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.819 -0.207 -22.524 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.514 0.183 -20.815 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.665 3.141 -21.035 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.105 2.995 -22.718 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.377 1.533 -21.741 1.00 0.00 H new ATOM 367 N CYS A 27 4.139 1.901 -19.721 1.00 0.00 N ATOM 368 CA CYS A 27 4.688 1.296 -18.569 1.00 0.00 C ATOM 369 C CYS A 27 3.753 1.502 -17.383 1.00 0.00 C ATOM 370 O CYS A 27 3.087 2.529 -17.275 1.00 0.00 O ATOM 371 CB CYS A 27 6.033 1.900 -18.337 1.00 0.00 C ATOM 372 SG CYS A 27 7.398 0.831 -18.903 1.00 0.00 S ATOM 0 H CYS A 27 3.460 2.633 -19.514 1.00 0.00 H new ATOM 0 HA CYS A 27 4.800 0.220 -18.700 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.090 2.858 -18.854 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.155 2.104 -17.273 1.00 0.00 H new ATOM 377 N CYS A 28 3.705 0.517 -16.508 1.00 0.00 N ATOM 378 CA CYS A 28 2.859 0.557 -15.339 1.00 0.00 C ATOM 379 C CYS A 28 3.588 -0.084 -14.175 1.00 0.00 C ATOM 380 O CYS A 28 4.019 -1.235 -14.265 1.00 0.00 O ATOM 381 CB CYS A 28 1.546 -0.177 -15.620 1.00 0.00 C ATOM 382 SG CYS A 28 0.088 0.559 -14.822 1.00 0.00 S ATOM 0 H CYS A 28 4.256 -0.337 -16.592 1.00 0.00 H new ATOM 0 HA CYS A 28 2.626 1.592 -15.088 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.381 -0.202 -16.697 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.644 -1.211 -15.288 1.00 0.00 H new ATOM 387 N GLY A 29 3.724 0.655 -13.090 1.00 0.00 N ATOM 388 CA GLY A 29 4.387 0.146 -11.947 1.00 0.00 C ATOM 389 C GLY A 29 3.426 -0.052 -10.786 1.00 0.00 C ATOM 390 O GLY A 29 2.336 0.522 -10.788 1.00 0.00 O ATOM 0 H GLY A 29 3.377 1.609 -12.995 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.862 -0.804 -12.194 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.181 0.832 -11.650 1.00 0.00 H new ATOM 394 N ASP A 30 3.808 -0.847 -9.790 1.00 0.00 N ATOM 395 CA ASP A 30 2.942 -1.077 -8.648 1.00 0.00 C ATOM 396 C ASP A 30 2.880 0.204 -7.830 1.00 0.00 C ATOM 397 O ASP A 30 1.972 1.015 -7.998 1.00 0.00 O ATOM 398 CB ASP A 30 3.458 -2.245 -7.803 1.00 0.00 C ATOM 399 CG ASP A 30 2.471 -3.396 -7.739 1.00 0.00 C ATOM 400 OD1 ASP A 30 2.396 -4.167 -8.718 1.00 0.00 O ATOM 401 OD2 ASP A 30 1.776 -3.525 -6.710 1.00 0.00 O ATOM 0 H ASP A 30 4.702 -1.336 -9.754 1.00 0.00 H new ATOM 0 HA ASP A 30 1.941 -1.344 -8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.401 -2.601 -8.219 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.668 -1.894 -6.793 1.00 0.00 H new ATOM 406 N GLU A 31 3.894 0.423 -7.007 1.00 0.00 N ATOM 407 CA GLU A 31 4.002 1.640 -6.232 1.00 0.00 C ATOM 408 C GLU A 31 4.301 2.802 -7.182 1.00 0.00 C ATOM 409 O GLU A 31 4.449 3.957 -6.780 1.00 0.00 O ATOM 410 CB GLU A 31 5.165 1.502 -5.251 1.00 0.00 C ATOM 411 CG GLU A 31 6.507 1.259 -5.944 1.00 0.00 C ATOM 412 CD GLU A 31 7.600 2.179 -5.436 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.322 3.381 -5.245 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.734 1.698 -5.230 1.00 0.00 O ATOM 0 H GLU A 31 4.659 -0.236 -6.861 1.00 0.00 H new ATOM 0 HA GLU A 31 3.073 1.821 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.233 2.407 -4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.961 0.678 -4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.809 0.223 -5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.388 1.401 -7.018 1.00 0.00 H new ATOM 421 N LEU A 32 4.476 2.423 -8.434 1.00 0.00 N ATOM 422 CA LEU A 32 4.867 3.296 -9.512 1.00 0.00 C ATOM 423 C LEU A 32 3.701 3.880 -10.296 1.00 0.00 C ATOM 424 O LEU A 32 3.862 4.852 -11.031 1.00 0.00 O ATOM 425 CB LEU A 32 5.691 2.402 -10.391 1.00 0.00 C ATOM 426 CG LEU A 32 7.042 2.867 -10.844 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.310 2.217 -12.171 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.164 4.379 -10.925 1.00 0.00 C ATOM 0 H LEU A 32 4.343 1.457 -8.734 1.00 0.00 H new ATOM 0 HA LEU A 32 5.391 4.173 -9.133 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.829 1.459 -9.863 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.102 2.185 -11.282 1.00 0.00 H new ATOM 0 HG LEU A 32 7.789 2.574 -10.106 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.287 2.530 -12.538 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.296 1.133 -12.055 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.542 2.516 -12.884 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.167 4.646 -11.259 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.431 4.766 -11.633 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.982 4.812 -9.941 1.00 0.00 H new ATOM 440 N GLY A 33 2.543 3.280 -10.144 1.00 0.00 N ATOM 441 CA GLY A 33 1.380 3.747 -10.855 1.00 0.00 C ATOM 442 C GLY A 33 1.487 3.441 -12.322 1.00 0.00 C ATOM 443 O GLY A 33 2.273 2.589 -12.717 1.00 0.00 O ATOM 0 H GLY A 33 2.384 2.474 -9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.486 3.276 -10.446 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.269 4.822 -10.711 1.00 0.00 H new ATOM 447 N CYS A 34 0.716 4.122 -13.147 1.00 0.00 N ATOM 448 CA CYS A 34 0.777 3.873 -14.583 1.00 0.00 C ATOM 449 C CYS A 34 1.338 5.061 -15.360 1.00 0.00 C ATOM 450 O CYS A 34 1.015 6.215 -15.085 1.00 0.00 O ATOM 451 CB CYS A 34 -0.587 3.485 -15.123 1.00 0.00 C ATOM 452 SG CYS A 34 -0.555 1.973 -16.134 1.00 0.00 S ATOM 0 H CYS A 34 0.050 4.840 -12.860 1.00 0.00 H new ATOM 0 HA CYS A 34 1.465 3.040 -14.727 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.273 3.342 -14.289 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.980 4.306 -15.722 1.00 0.00 H new ATOM 457 N PHE A 35 2.158 4.746 -16.364 1.00 0.00 N ATOM 458 CA PHE A 35 2.752 5.760 -17.238 1.00 0.00 C ATOM 459 C PHE A 35 2.583 5.380 -18.701 1.00 0.00 C ATOM 460 O PHE A 35 2.526 4.199 -19.042 1.00 0.00 O ATOM 461 CB PHE A 35 4.251 5.924 -16.992 1.00 0.00 C ATOM 462 CG PHE A 35 4.679 5.899 -15.559 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.778 4.702 -14.874 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.016 7.074 -14.909 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.199 4.675 -13.564 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.445 7.053 -13.598 1.00 0.00 C ATOM 467 CZ PHE A 35 5.535 5.854 -12.927 1.00 0.00 C ATOM 0 H PHE A 35 2.428 3.789 -16.593 1.00 0.00 H new ATOM 0 HA PHE A 35 2.234 6.692 -17.010 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.777 5.131 -17.523 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.572 6.869 -17.432 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.522 3.779 -15.372 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.942 8.016 -15.433 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.266 3.735 -13.036 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.709 7.974 -13.100 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.869 5.835 -11.900 1.00 0.00 H new ATOM 477 N VAL A 36 2.571 6.380 -19.565 1.00 0.00 N ATOM 478 CA VAL A 36 2.491 6.143 -20.994 1.00 0.00 C ATOM 479 C VAL A 36 3.360 7.134 -21.733 1.00 0.00 C ATOM 480 O VAL A 36 3.223 8.348 -21.579 1.00 0.00 O ATOM 481 CB VAL A 36 1.067 6.211 -21.563 1.00 0.00 C ATOM 482 CG1 VAL A 36 1.030 5.522 -22.926 1.00 0.00 C ATOM 483 CG2 VAL A 36 0.072 5.585 -20.599 1.00 0.00 C ATOM 0 H VAL A 36 2.616 7.364 -19.301 1.00 0.00 H new ATOM 0 HA VAL A 36 2.843 5.122 -21.142 1.00 0.00 H new ATOM 0 HB VAL A 36 0.781 7.255 -21.693 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.019 5.570 -23.331 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.717 6.025 -23.606 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.327 4.479 -22.815 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.931 5.644 -21.022 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.335 4.540 -20.432 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.098 6.121 -19.650 1.00 0.00 H new ATOM 493 N GLY A 37 4.264 6.598 -22.527 1.00 0.00 N ATOM 494 CA GLY A 37 5.174 7.434 -23.286 1.00 0.00 C ATOM 495 C GLY A 37 6.043 8.314 -22.399 1.00 0.00 C ATOM 496 O GLY A 37 6.776 9.171 -22.895 1.00 0.00 O ATOM 0 H GLY A 37 4.389 5.595 -22.664 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.814 6.802 -23.901 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.600 8.064 -23.965 1.00 0.00 H new ATOM 500 N THR A 38 5.958 8.110 -21.085 1.00 0.00 N ATOM 501 CA THR A 38 6.743 8.893 -20.132 1.00 0.00 C ATOM 502 C THR A 38 8.194 8.426 -20.108 1.00 0.00 C ATOM 503 O THR A 38 8.570 7.494 -20.820 1.00 0.00 O ATOM 504 CB THR A 38 6.153 8.783 -18.723 1.00 0.00 C ATOM 505 OG1 THR A 38 6.485 7.536 -18.141 1.00 0.00 O ATOM 506 CG2 THR A 38 4.647 8.923 -18.678 1.00 0.00 C ATOM 0 H THR A 38 5.353 7.409 -20.656 1.00 0.00 H new ATOM 0 HA THR A 38 6.709 9.933 -20.455 1.00 0.00 H new ATOM 0 HB THR A 38 6.588 9.614 -18.168 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.471 7.617 -17.164 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.304 8.834 -17.647 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.360 9.898 -19.073 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.190 8.138 -19.281 1.00 0.00 H new ATOM 514 N ALA A 39 9.000 9.065 -19.263 1.00 0.00 N ATOM 515 CA ALA A 39 10.406 8.704 -19.126 1.00 0.00 C ATOM 516 C ALA A 39 10.546 7.377 -18.392 1.00 0.00 C ATOM 517 O ALA A 39 11.334 6.524 -18.778 1.00 0.00 O ATOM 518 CB ALA A 39 11.167 9.800 -18.395 1.00 0.00 C ATOM 0 H ALA A 39 8.702 9.835 -18.664 1.00 0.00 H new ATOM 0 HA ALA A 39 10.833 8.593 -20.123 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.215 9.515 -18.301 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.093 10.731 -18.957 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.739 9.940 -17.402 1.00 0.00 H new ATOM 524 N GLU A 40 9.766 7.212 -17.333 1.00 0.00 N ATOM 525 CA GLU A 40 9.780 5.993 -16.537 1.00 0.00 C ATOM 526 C GLU A 40 9.051 4.850 -17.250 1.00 0.00 C ATOM 527 O GLU A 40 8.772 3.818 -16.643 1.00 0.00 O ATOM 528 CB GLU A 40 9.134 6.255 -15.180 1.00 0.00 C ATOM 529 CG GLU A 40 10.134 6.352 -14.040 1.00 0.00 C ATOM 530 CD GLU A 40 10.515 7.784 -13.715 1.00 0.00 C ATOM 531 OE1 GLU A 40 10.906 8.519 -14.644 1.00 0.00 O ATOM 532 OE2 GLU A 40 10.419 8.169 -12.529 1.00 0.00 O ATOM 0 H GLU A 40 9.107 7.917 -17.002 1.00 0.00 H new ATOM 0 HA GLU A 40 10.818 5.693 -16.397 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.563 7.182 -15.231 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.425 5.456 -14.964 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.712 5.882 -13.151 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.032 5.792 -14.301 1.00 0.00 H new ATOM 539 N ALA A 41 8.697 5.052 -18.518 1.00 0.00 N ATOM 540 CA ALA A 41 7.956 4.046 -19.275 1.00 0.00 C ATOM 541 C ALA A 41 8.626 3.672 -20.596 1.00 0.00 C ATOM 542 O ALA A 41 8.157 2.777 -21.304 1.00 0.00 O ATOM 543 CB ALA A 41 6.587 4.584 -19.574 1.00 0.00 C ATOM 0 H ALA A 41 8.911 5.901 -19.041 1.00 0.00 H new ATOM 0 HA ALA A 41 7.918 3.145 -18.662 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.021 3.844 -20.139 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.069 4.801 -18.640 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.676 5.499 -20.160 1.00 0.00 H new ATOM 549 N LEU A 42 9.716 4.338 -20.909 1.00 0.00 N ATOM 550 CA LEU A 42 10.463 4.070 -22.118 1.00 0.00 C ATOM 551 C LEU A 42 11.027 2.651 -22.125 1.00 0.00 C ATOM 552 O LEU A 42 11.495 2.162 -23.152 1.00 0.00 O ATOM 553 CB LEU A 42 11.608 5.080 -22.251 1.00 0.00 C ATOM 554 CG LEU A 42 12.454 5.337 -20.982 1.00 0.00 C ATOM 555 CD1 LEU A 42 12.199 4.285 -19.903 1.00 0.00 C ATOM 556 CD2 LEU A 42 13.936 5.389 -21.339 1.00 0.00 C ATOM 0 H LEU A 42 10.110 5.081 -20.332 1.00 0.00 H new ATOM 0 HA LEU A 42 9.782 4.166 -22.963 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.275 4.737 -23.042 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.188 6.031 -22.579 1.00 0.00 H new ATOM 0 HG LEU A 42 12.151 6.301 -20.573 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.813 4.503 -19.029 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.147 4.302 -19.620 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.455 3.298 -20.289 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.521 5.570 -20.438 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.237 4.440 -21.782 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.110 6.194 -22.053 1.00 0.00 H new ATOM 568 N ARG A 43 10.987 2.006 -20.962 1.00 0.00 N ATOM 569 CA ARG A 43 11.502 0.653 -20.798 1.00 0.00 C ATOM 570 C ARG A 43 11.000 -0.305 -21.869 1.00 0.00 C ATOM 571 O ARG A 43 11.575 -1.371 -22.065 1.00 0.00 O ATOM 572 CB ARG A 43 11.108 0.113 -19.443 1.00 0.00 C ATOM 573 CG ARG A 43 12.291 -0.266 -18.565 1.00 0.00 C ATOM 574 CD ARG A 43 13.257 0.898 -18.395 1.00 0.00 C ATOM 575 NE ARG A 43 14.013 0.806 -17.146 1.00 0.00 N ATOM 576 CZ ARG A 43 14.341 1.855 -16.394 1.00 0.00 C ATOM 577 NH1 ARG A 43 13.977 3.080 -16.755 1.00 0.00 N ATOM 578 NH2 ARG A 43 15.035 1.680 -15.277 1.00 0.00 N ATOM 0 H ARG A 43 10.597 2.407 -20.109 1.00 0.00 H new ATOM 0 HA ARG A 43 12.586 0.720 -20.891 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.508 0.861 -18.925 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.475 -0.763 -19.582 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.931 -0.587 -17.587 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.816 -1.114 -19.006 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.949 0.920 -19.237 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.702 1.836 -18.414 1.00 0.00 H new ATOM 0 HE ARG A 43 14.307 -0.119 -16.832 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.443 3.222 -17.613 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.231 3.879 -16.175 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.318 0.742 -14.994 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.286 2.484 -14.701 1.00 0.00 H new ATOM 592 N CYS A 44 9.931 0.060 -22.555 1.00 0.00 N ATOM 593 CA CYS A 44 9.384 -0.802 -23.591 1.00 0.00 C ATOM 594 C CYS A 44 10.334 -0.879 -24.777 1.00 0.00 C ATOM 595 O CYS A 44 10.218 -1.764 -25.631 1.00 0.00 O ATOM 596 CB CYS A 44 8.008 -0.319 -24.026 1.00 0.00 C ATOM 597 SG CYS A 44 6.751 -1.640 -24.091 1.00 0.00 S ATOM 0 H CYS A 44 9.428 0.937 -22.417 1.00 0.00 H new ATOM 0 HA CYS A 44 9.272 -1.805 -23.179 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.671 0.457 -23.338 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.089 0.141 -25.011 1.00 0.00 H new ATOM 602 N GLN A 45 11.311 0.020 -24.788 1.00 0.00 N ATOM 603 CA GLN A 45 12.327 0.039 -25.816 1.00 0.00 C ATOM 604 C GLN A 45 13.145 -1.253 -25.746 1.00 0.00 C ATOM 605 O GLN A 45 13.819 -1.645 -26.700 1.00 0.00 O ATOM 606 CB GLN A 45 13.230 1.240 -25.602 1.00 0.00 C ATOM 607 CG GLN A 45 12.934 2.405 -26.533 1.00 0.00 C ATOM 608 CD GLN A 45 13.210 3.749 -25.890 1.00 0.00 C ATOM 609 OE1 GLN A 45 14.268 4.343 -26.096 1.00 0.00 O ATOM 610 NE2 GLN A 45 12.257 4.235 -25.105 1.00 0.00 N ATOM 0 H GLN A 45 11.415 0.751 -24.084 1.00 0.00 H new ATOM 0 HA GLN A 45 11.860 0.111 -26.798 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.131 1.578 -24.570 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.267 0.932 -25.739 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.538 2.307 -27.435 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.890 2.362 -26.842 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.395 3.708 -24.963 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.386 5.136 -24.644 1.00 0.00 H new ATOM 619 N GLU A 46 13.001 -1.927 -24.611 1.00 0.00 N ATOM 620 CA GLU A 46 13.647 -3.208 -24.385 1.00 0.00 C ATOM 621 C GLU A 46 12.806 -4.290 -25.050 1.00 0.00 C ATOM 622 O GLU A 46 13.306 -5.346 -25.446 1.00 0.00 O ATOM 623 CB GLU A 46 13.821 -3.477 -22.882 1.00 0.00 C ATOM 624 CG GLU A 46 12.552 -3.921 -22.164 1.00 0.00 C ATOM 625 CD GLU A 46 12.291 -5.407 -22.306 1.00 0.00 C ATOM 626 OE1 GLU A 46 13.126 -6.206 -21.831 1.00 0.00 O ATOM 627 OE2 GLU A 46 11.253 -5.771 -22.896 1.00 0.00 O ATOM 0 H GLU A 46 12.436 -1.601 -23.827 1.00 0.00 H new ATOM 0 HA GLU A 46 14.646 -3.204 -24.821 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.584 -4.244 -22.750 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.194 -2.571 -22.405 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.630 -3.669 -21.106 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.702 -3.367 -22.561 1.00 0.00 H new ATOM 634 N GLU A 47 11.518 -3.988 -25.204 1.00 0.00 N ATOM 635 CA GLU A 47 10.587 -4.908 -25.848 1.00 0.00 C ATOM 636 C GLU A 47 10.704 -4.818 -27.366 1.00 0.00 C ATOM 637 O GLU A 47 10.010 -5.528 -28.095 1.00 0.00 O ATOM 638 CB GLU A 47 9.152 -4.602 -25.414 1.00 0.00 C ATOM 639 CG GLU A 47 8.339 -5.843 -25.084 1.00 0.00 C ATOM 640 CD GLU A 47 6.879 -5.530 -24.825 1.00 0.00 C ATOM 641 OE1 GLU A 47 6.334 -4.635 -25.505 1.00 0.00 O ATOM 642 OE2 GLU A 47 6.280 -6.179 -23.942 1.00 0.00 O ATOM 0 H GLU A 47 11.097 -3.113 -24.891 1.00 0.00 H new ATOM 0 HA GLU A 47 10.841 -5.922 -25.540 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.176 -3.951 -24.540 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.651 -4.050 -26.209 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.414 -6.552 -25.908 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.764 -6.329 -24.206 1.00 0.00 H new ATOM 649 N ASN A 48 11.592 -3.945 -27.840 1.00 0.00 N ATOM 650 CA ASN A 48 11.799 -3.766 -29.257 1.00 0.00 C ATOM 651 C ASN A 48 12.756 -4.814 -29.819 1.00 0.00 C ATOM 652 O ASN A 48 12.952 -4.897 -31.032 1.00 0.00 O ATOM 653 CB ASN A 48 12.337 -2.363 -29.541 1.00 0.00 C ATOM 654 CG ASN A 48 11.615 -1.687 -30.691 1.00 0.00 C ATOM 655 OD1 ASN A 48 10.492 -2.055 -31.037 1.00 0.00 O ATOM 656 ND2 ASN A 48 12.257 -0.691 -31.292 1.00 0.00 N ATOM 0 H ASN A 48 12.177 -3.353 -27.251 1.00 0.00 H new ATOM 0 HA ASN A 48 10.835 -3.889 -29.751 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.239 -1.751 -28.644 1.00 0.00 H new ATOM 0 HB3 ASN A 48 13.401 -2.425 -29.770 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.820 -0.200 -32.072 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.187 -0.418 -30.974 1.00 0.00 H new ATOM 663 N TYR A 49 13.352 -5.614 -28.935 1.00 0.00 N ATOM 664 CA TYR A 49 14.286 -6.651 -29.364 1.00 0.00 C ATOM 665 C TYR A 49 13.843 -8.025 -28.873 1.00 0.00 C ATOM 666 O TYR A 49 14.062 -9.034 -29.543 1.00 0.00 O ATOM 667 CB TYR A 49 15.696 -6.343 -28.860 1.00 0.00 C ATOM 668 CG TYR A 49 16.552 -5.618 -29.873 1.00 0.00 C ATOM 669 CD1 TYR A 49 16.915 -6.229 -31.068 1.00 0.00 C ATOM 670 CD2 TYR A 49 16.995 -4.322 -29.639 1.00 0.00 C ATOM 671 CE1 TYR A 49 17.696 -5.570 -31.998 1.00 0.00 C ATOM 672 CE2 TYR A 49 17.776 -3.656 -30.565 1.00 0.00 C ATOM 673 CZ TYR A 49 18.124 -4.284 -31.742 1.00 0.00 C ATOM 674 OH TYR A 49 18.903 -3.625 -32.666 1.00 0.00 O ATOM 0 H TYR A 49 13.206 -5.564 -27.927 1.00 0.00 H new ATOM 0 HA TYR A 49 14.295 -6.663 -30.454 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.626 -5.739 -27.956 1.00 0.00 H new ATOM 0 HB3 TYR A 49 16.186 -7.276 -28.583 1.00 0.00 H new ATOM 0 HD1 TYR A 49 16.581 -7.235 -31.273 1.00 0.00 H new ATOM 0 HD2 TYR A 49 16.725 -3.827 -28.718 1.00 0.00 H new ATOM 0 HE1 TYR A 49 17.970 -6.059 -32.921 1.00 0.00 H new ATOM 0 HE2 TYR A 49 18.112 -2.649 -30.367 1.00 0.00 H new ATOM 0 HH TYR A 49 19.118 -2.729 -32.333 1.00 0.00 H new ATOM 684 N LEU A 50 13.221 -8.060 -27.698 1.00 0.00 N ATOM 685 CA LEU A 50 12.752 -9.318 -27.123 1.00 0.00 C ATOM 686 C LEU A 50 11.225 -9.374 -27.104 1.00 0.00 C ATOM 687 O LEU A 50 10.566 -8.373 -26.819 1.00 0.00 O ATOM 688 CB LEU A 50 13.301 -9.485 -25.704 1.00 0.00 C ATOM 689 CG LEU A 50 14.674 -10.155 -25.618 1.00 0.00 C ATOM 690 CD1 LEU A 50 14.618 -11.562 -26.192 1.00 0.00 C ATOM 691 CD2 LEU A 50 15.719 -9.321 -26.345 1.00 0.00 C ATOM 0 H LEU A 50 13.030 -7.236 -27.127 1.00 0.00 H new ATOM 0 HA LEU A 50 13.117 -10.135 -27.746 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.363 -8.502 -25.236 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.590 -10.071 -25.122 1.00 0.00 H new ATOM 0 HG LEU A 50 14.959 -10.225 -24.568 1.00 0.00 H new ATOM 0 HD11 LEU A 50 15.603 -12.023 -26.122 1.00 0.00 H new ATOM 0 HD12 LEU A 50 13.899 -12.156 -25.629 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.312 -11.517 -27.237 1.00 0.00 H new ATOM 0 HD21 LEU A 50 16.690 -9.812 -26.274 1.00 0.00 H new ATOM 0 HD22 LEU A 50 15.439 -9.220 -27.394 1.00 0.00 H new ATOM 0 HD23 LEU A 50 15.778 -8.333 -25.889 1.00 0.00 H new ATOM 703 N PRO A 51 10.635 -10.547 -27.420 1.00 0.00 N ATOM 704 CA PRO A 51 9.174 -10.726 -27.445 1.00 0.00 C ATOM 705 C PRO A 51 8.486 -10.190 -26.195 1.00 0.00 C ATOM 706 O PRO A 51 9.137 -9.676 -25.283 1.00 0.00 O ATOM 707 CB PRO A 51 9.026 -12.243 -27.531 1.00 0.00 C ATOM 708 CG PRO A 51 10.213 -12.650 -28.318 1.00 0.00 C ATOM 709 CD PRO A 51 11.333 -11.795 -27.793 1.00 0.00 C ATOM 0 HA PRO A 51 8.708 -10.180 -28.265 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.019 -12.704 -26.543 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.097 -12.531 -28.024 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.430 -13.710 -28.187 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.056 -12.486 -29.384 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.828 -12.255 -26.937 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.099 -11.621 -28.548 1.00 0.00 H new ATOM 717 N SER A 52 7.163 -10.324 -26.151 1.00 0.00 N ATOM 718 CA SER A 52 6.384 -9.862 -25.005 1.00 0.00 C ATOM 719 C SER A 52 5.864 -11.045 -24.182 1.00 0.00 C ATOM 720 O SER A 52 4.659 -11.287 -24.119 1.00 0.00 O ATOM 721 CB SER A 52 5.212 -8.995 -25.481 1.00 0.00 C ATOM 722 OG SER A 52 4.371 -9.714 -26.365 1.00 0.00 O ATOM 0 H SER A 52 6.608 -10.748 -26.895 1.00 0.00 H new ATOM 0 HA SER A 52 7.036 -9.264 -24.368 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.635 -8.655 -24.621 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.594 -8.105 -25.981 1.00 0.00 H new ATOM 0 HG SER A 52 4.067 -10.538 -25.930 1.00 0.00 H new ATOM 728 N PRO A 53 6.776 -11.808 -23.542 1.00 0.00 N ATOM 729 CA PRO A 53 6.419 -12.965 -22.733 1.00 0.00 C ATOM 730 C PRO A 53 6.308 -12.618 -21.246 1.00 0.00 C ATOM 731 O PRO A 53 7.320 -12.421 -20.578 1.00 0.00 O ATOM 732 CB PRO A 53 7.606 -13.890 -22.981 1.00 0.00 C ATOM 733 CG PRO A 53 8.779 -12.971 -23.128 1.00 0.00 C ATOM 734 CD PRO A 53 8.238 -11.623 -23.564 1.00 0.00 C ATOM 0 HA PRO A 53 5.448 -13.388 -22.991 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.748 -14.584 -22.152 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.459 -14.491 -23.878 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.319 -12.883 -22.186 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.483 -13.360 -23.864 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.551 -10.828 -22.887 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.592 -11.352 -24.559 1.00 0.00 H new ATOM 742 N CYS A 54 5.071 -12.547 -20.736 1.00 0.00 N ATOM 743 CA CYS A 54 4.840 -12.230 -19.332 1.00 0.00 C ATOM 744 C CYS A 54 3.353 -12.038 -18.999 1.00 0.00 C ATOM 745 O CYS A 54 2.667 -11.232 -19.625 1.00 0.00 O ATOM 746 CB CYS A 54 5.633 -10.980 -18.975 1.00 0.00 C ATOM 747 SG CYS A 54 4.945 -9.413 -19.617 1.00 0.00 S ATOM 0 H CYS A 54 4.221 -12.705 -21.278 1.00 0.00 H new ATOM 0 HA CYS A 54 5.176 -13.078 -18.736 1.00 0.00 H new ATOM 0 HB2 CYS A 54 5.702 -10.910 -17.889 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.649 -11.094 -19.352 1.00 0.00 H new ATOM 752 N GLN A 55 2.874 -12.775 -17.986 1.00 0.00 N ATOM 753 CA GLN A 55 1.483 -12.679 -17.534 1.00 0.00 C ATOM 754 C GLN A 55 0.494 -12.640 -18.709 1.00 0.00 C ATOM 755 O GLN A 55 0.842 -13.006 -19.832 1.00 0.00 O ATOM 756 CB GLN A 55 1.329 -11.452 -16.610 1.00 0.00 C ATOM 757 CG GLN A 55 1.022 -10.142 -17.322 1.00 0.00 C ATOM 758 CD GLN A 55 -0.315 -9.559 -16.907 1.00 0.00 C ATOM 759 OE1 GLN A 55 -0.494 -9.132 -15.764 1.00 0.00 O ATOM 760 NE2 GLN A 55 -1.261 -9.539 -17.833 1.00 0.00 N ATOM 0 H GLN A 55 3.435 -13.447 -17.463 1.00 0.00 H new ATOM 0 HA GLN A 55 1.238 -13.578 -16.969 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.532 -11.654 -15.894 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.249 -11.330 -16.038 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.812 -9.422 -17.108 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.025 -10.308 -18.399 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.069 -9.903 -18.766 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.182 -9.160 -17.613 1.00 0.00 H new ATOM 769 N SER A 56 -0.740 -12.198 -18.446 1.00 0.00 N ATOM 770 CA SER A 56 -1.760 -12.117 -19.488 1.00 0.00 C ATOM 771 C SER A 56 -3.094 -11.596 -18.948 1.00 0.00 C ATOM 772 O SER A 56 -3.835 -12.324 -18.288 1.00 0.00 O ATOM 773 CB SER A 56 -1.969 -13.484 -20.145 1.00 0.00 C ATOM 774 OG SER A 56 -2.793 -13.380 -21.295 1.00 0.00 O ATOM 0 H SER A 56 -1.052 -11.893 -17.524 1.00 0.00 H new ATOM 0 HA SER A 56 -1.398 -11.407 -20.232 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.004 -13.908 -20.423 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.424 -14.169 -19.429 1.00 0.00 H new ATOM 0 HG SER A 56 -2.909 -14.267 -21.696 1.00 0.00 H new ATOM 780 N GLY A 57 -3.396 -10.336 -19.258 1.00 0.00 N ATOM 781 CA GLY A 57 -4.646 -9.724 -18.827 1.00 0.00 C ATOM 782 C GLY A 57 -4.823 -9.687 -17.327 1.00 0.00 C ATOM 783 O GLY A 57 -4.746 -10.716 -16.655 1.00 0.00 O ATOM 0 H GLY A 57 -2.792 -9.723 -19.805 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.693 -8.706 -19.214 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.479 -10.272 -19.268 1.00 0.00 H new ATOM 787 N GLN A 58 -5.053 -8.488 -16.800 1.00 0.00 N ATOM 788 CA GLN A 58 -5.233 -8.306 -15.384 1.00 0.00 C ATOM 789 C GLN A 58 -6.581 -7.667 -15.049 1.00 0.00 C ATOM 790 O GLN A 58 -7.053 -6.799 -15.774 1.00 0.00 O ATOM 791 CB GLN A 58 -4.127 -7.430 -14.855 1.00 0.00 C ATOM 792 CG GLN A 58 -3.038 -8.228 -14.173 1.00 0.00 C ATOM 793 CD GLN A 58 -3.029 -8.039 -12.669 1.00 0.00 C ATOM 794 OE1 GLN A 58 -2.908 -6.921 -12.171 1.00 0.00 O ATOM 795 NE2 GLN A 58 -3.158 -9.138 -11.934 1.00 0.00 N ATOM 0 H GLN A 58 -5.117 -7.629 -17.346 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.208 -9.291 -14.917 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.695 -6.858 -15.676 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.543 -6.710 -14.150 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.171 -9.285 -14.401 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.070 -7.934 -14.578 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.256 -10.046 -12.388 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.159 -9.074 -10.916 1.00 0.00 H new ATOM 804 N LYS A 59 -7.220 -8.207 -13.999 1.00 0.00 N ATOM 805 CA LYS A 59 -8.588 -7.834 -13.573 1.00 0.00 C ATOM 806 C LYS A 59 -9.109 -6.558 -14.254 1.00 0.00 C ATOM 807 O LYS A 59 -8.975 -5.436 -13.759 1.00 0.00 O ATOM 808 CB LYS A 59 -8.606 -7.631 -12.045 1.00 0.00 C ATOM 809 CG LYS A 59 -7.542 -6.664 -11.535 1.00 0.00 C ATOM 810 CD LYS A 59 -7.107 -7.008 -10.118 1.00 0.00 C ATOM 811 CE LYS A 59 -7.173 -5.795 -9.206 1.00 0.00 C ATOM 812 NZ LYS A 59 -7.656 -6.151 -7.843 1.00 0.00 N ATOM 0 H LYS A 59 -6.799 -8.926 -13.410 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.247 -8.649 -13.872 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.588 -7.263 -11.749 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.468 -8.597 -11.559 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.677 -6.690 -12.198 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.932 -5.646 -11.560 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.745 -7.798 -9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.089 -7.398 -10.133 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.185 -5.341 -9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.836 -5.048 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.687 -5.296 -7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.609 -6.561 -7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.009 -6.845 -7.416 1.00 0.00 H new ATOM 826 N PRO A 60 -9.640 -6.763 -15.490 1.00 0.00 N ATOM 827 CA PRO A 60 -10.128 -5.704 -16.365 1.00 0.00 C ATOM 828 C PRO A 60 -11.196 -4.765 -15.792 1.00 0.00 C ATOM 829 O PRO A 60 -11.810 -5.023 -14.762 1.00 0.00 O ATOM 830 CB PRO A 60 -10.750 -6.438 -17.552 1.00 0.00 C ATOM 831 CG PRO A 60 -10.119 -7.774 -17.573 1.00 0.00 C ATOM 832 CD PRO A 60 -9.676 -8.072 -16.167 1.00 0.00 C ATOM 0 HA PRO A 60 -9.283 -5.051 -16.582 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.831 -6.518 -17.440 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.565 -5.903 -18.483 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.824 -8.528 -17.923 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.270 -7.789 -18.256 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.368 -8.753 -15.672 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.696 -8.549 -16.155 1.00 0.00 H new ATOM 840 N CYS A 61 -11.409 -3.685 -16.539 1.00 0.00 N ATOM 841 CA CYS A 61 -12.407 -2.689 -16.202 1.00 0.00 C ATOM 842 C CYS A 61 -12.788 -1.810 -17.377 1.00 0.00 C ATOM 843 O CYS A 61 -12.114 -1.764 -18.416 1.00 0.00 O ATOM 844 CB CYS A 61 -11.999 -1.807 -15.033 1.00 0.00 C ATOM 845 SG CYS A 61 -10.272 -1.271 -15.088 1.00 0.00 S ATOM 0 H CYS A 61 -10.892 -3.481 -17.394 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.279 -3.273 -15.907 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.642 -0.927 -15.013 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.172 -2.350 -14.103 1.00 0.00 H new ATOM 850 N GLY A 62 -13.915 -1.145 -17.206 1.00 0.00 N ATOM 851 CA GLY A 62 -14.494 -0.299 -18.217 1.00 0.00 C ATOM 852 C GLY A 62 -14.044 1.140 -18.196 1.00 0.00 C ATOM 853 O GLY A 62 -14.720 2.018 -18.736 1.00 0.00 O ATOM 0 H GLY A 62 -14.458 -1.182 -16.344 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.261 -0.720 -19.195 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.578 -0.324 -18.109 1.00 0.00 H new ATOM 857 N SER A 63 -12.859 1.381 -17.655 1.00 0.00 N ATOM 858 CA SER A 63 -12.287 2.694 -17.667 1.00 0.00 C ATOM 859 C SER A 63 -11.170 2.743 -18.717 1.00 0.00 C ATOM 860 O SER A 63 -10.159 3.433 -18.546 1.00 0.00 O ATOM 861 CB SER A 63 -11.780 3.088 -16.281 1.00 0.00 C ATOM 862 OG SER A 63 -11.623 4.491 -16.180 1.00 0.00 O ATOM 0 H SER A 63 -12.282 0.672 -17.203 1.00 0.00 H new ATOM 0 HA SER A 63 -13.053 3.421 -17.935 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.480 2.741 -15.521 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.827 2.596 -16.085 1.00 0.00 H new ATOM 0 HG SER A 63 -11.245 4.839 -17.015 1.00 0.00 H new ATOM 868 N GLY A 64 -11.393 2.018 -19.807 1.00 0.00 N ATOM 869 CA GLY A 64 -10.452 1.975 -20.903 1.00 0.00 C ATOM 870 C GLY A 64 -9.483 0.791 -20.869 1.00 0.00 C ATOM 871 O GLY A 64 -8.551 0.739 -21.672 1.00 0.00 O ATOM 0 H GLY A 64 -12.228 1.449 -19.949 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.008 1.945 -21.840 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.875 2.899 -20.904 1.00 0.00 H new ATOM 875 N GLY A 65 -9.683 -0.133 -19.928 1.00 0.00 N ATOM 876 CA GLY A 65 -8.796 -1.267 -19.792 1.00 0.00 C ATOM 877 C GLY A 65 -8.800 -1.936 -18.449 1.00 0.00 C ATOM 878 O GLY A 65 -9.837 -2.098 -17.816 1.00 0.00 O ATOM 0 H GLY A 65 -10.450 -0.110 -19.256 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.063 -2.007 -20.547 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.780 -0.939 -20.012 1.00 0.00 H new ATOM 882 N ARG A 66 -7.651 -2.452 -18.083 1.00 0.00 N ATOM 883 CA ARG A 66 -7.545 -3.239 -16.883 1.00 0.00 C ATOM 884 C ARG A 66 -7.152 -2.415 -15.687 1.00 0.00 C ATOM 885 O ARG A 66 -7.007 -1.202 -15.783 1.00 0.00 O ATOM 886 CB ARG A 66 -6.533 -4.379 -17.076 1.00 0.00 C ATOM 887 CG ARG A 66 -6.663 -5.102 -18.405 1.00 0.00 C ATOM 888 CD ARG A 66 -7.945 -5.911 -18.472 1.00 0.00 C ATOM 889 NE ARG A 66 -7.807 -7.091 -19.325 1.00 0.00 N ATOM 890 CZ ARG A 66 -7.408 -7.052 -20.592 1.00 0.00 C ATOM 891 NH1 ARG A 66 -7.109 -5.895 -21.166 1.00 0.00 N ATOM 892 NH2 ARG A 66 -7.308 -8.174 -21.288 1.00 0.00 N ATOM 0 H ARG A 66 -6.779 -2.340 -18.600 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.535 -3.652 -16.690 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.525 -3.974 -16.992 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.655 -5.100 -16.268 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.646 -4.377 -19.219 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.807 -5.761 -18.547 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.230 -6.222 -17.467 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.751 -5.282 -18.851 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.031 -8.001 -18.922 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.185 -5.028 -20.635 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.803 -5.872 -22.139 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.537 -9.067 -20.852 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.002 -8.145 -22.261 1.00 0.00 H new ATOM 906 N CYS A 67 -6.940 -3.082 -14.563 1.00 0.00 N ATOM 907 CA CYS A 67 -6.534 -2.406 -13.355 1.00 0.00 C ATOM 908 C CYS A 67 -5.034 -2.112 -13.363 1.00 0.00 C ATOM 909 O CYS A 67 -4.307 -2.498 -12.448 1.00 0.00 O ATOM 910 CB CYS A 67 -6.920 -3.232 -12.134 1.00 0.00 C ATOM 911 SG CYS A 67 -6.552 -2.432 -10.559 1.00 0.00 S ATOM 0 H CYS A 67 -7.044 -4.092 -14.469 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.056 -1.450 -13.307 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.987 -3.450 -12.178 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.398 -4.188 -12.175 1.00 0.00 H new ATOM 916 N ALA A 68 -4.593 -1.471 -14.436 1.00 0.00 N ATOM 917 CA ALA A 68 -3.179 -1.130 -14.669 1.00 0.00 C ATOM 918 C ALA A 68 -2.280 -1.055 -13.419 1.00 0.00 C ATOM 919 O ALA A 68 -1.319 -1.819 -13.325 1.00 0.00 O ATOM 920 CB ALA A 68 -3.088 0.162 -15.446 1.00 0.00 C ATOM 0 H ALA A 68 -5.211 -1.164 -15.187 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.783 -1.971 -15.238 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.041 0.411 -15.616 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.594 0.047 -16.404 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.563 0.962 -14.879 1.00 0.00 H new ATOM 926 N ALA A 69 -2.513 -0.105 -12.497 1.00 0.00 N ATOM 927 CA ALA A 69 -1.655 0.077 -11.323 1.00 0.00 C ATOM 928 C ALA A 69 -2.353 0.966 -10.291 1.00 0.00 C ATOM 929 O ALA A 69 -3.040 1.914 -10.666 1.00 0.00 O ATOM 930 CB ALA A 69 -0.373 0.774 -11.703 1.00 0.00 C ATOM 0 H ALA A 69 -3.294 0.550 -12.547 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.449 -0.913 -10.915 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.249 0.899 -10.817 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.162 0.175 -12.441 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.602 1.752 -12.127 1.00 0.00 H new ATOM 936 N ALA A 70 -2.164 0.627 -9.002 1.00 0.00 N ATOM 937 CA ALA A 70 -2.782 1.358 -7.855 1.00 0.00 C ATOM 938 C ALA A 70 -4.045 2.042 -8.296 1.00 0.00 C ATOM 939 O ALA A 70 -4.259 3.219 -8.010 1.00 0.00 O ATOM 940 CB ALA A 70 -1.892 2.438 -7.316 1.00 0.00 C ATOM 0 H ALA A 70 -1.581 -0.159 -8.715 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.964 0.607 -7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.389 2.938 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.956 1.999 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.683 3.163 -8.102 1.00 0.00 H new ATOM 946 N GLY A 71 -4.833 1.327 -9.035 1.00 0.00 N ATOM 947 CA GLY A 71 -6.008 1.887 -9.576 1.00 0.00 C ATOM 948 C GLY A 71 -5.681 2.721 -10.800 1.00 0.00 C ATOM 949 O GLY A 71 -5.451 3.921 -10.737 1.00 0.00 O ATOM 0 H GLY A 71 -4.673 0.348 -9.273 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.706 1.094 -9.844 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.501 2.507 -8.827 1.00 0.00 H new ATOM 953 N ILE A 72 -5.691 2.050 -11.915 1.00 0.00 N ATOM 954 CA ILE A 72 -5.451 2.640 -13.205 1.00 0.00 C ATOM 955 C ILE A 72 -6.090 1.746 -14.191 1.00 0.00 C ATOM 956 O ILE A 72 -5.568 0.691 -14.505 1.00 0.00 O ATOM 957 CB ILE A 72 -3.961 2.824 -13.598 1.00 0.00 C ATOM 958 CG1 ILE A 72 -3.365 3.977 -12.835 1.00 0.00 C ATOM 959 CG2 ILE A 72 -3.764 3.041 -15.099 1.00 0.00 C ATOM 960 CD1 ILE A 72 -3.373 5.279 -13.599 1.00 0.00 C ATOM 0 H ILE A 72 -5.872 1.047 -11.956 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.857 3.651 -13.177 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.450 1.897 -13.338 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.916 4.109 -11.904 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.338 3.731 -12.565 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.702 3.163 -15.313 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.147 2.179 -15.645 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.302 3.936 -15.411 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.928 6.063 -12.986 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.797 5.166 -14.517 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.400 5.550 -13.846 1.00 0.00 H new ATOM 972 N CYS A 73 -7.212 2.141 -14.688 1.00 0.00 N ATOM 973 CA CYS A 73 -7.849 1.339 -15.637 1.00 0.00 C ATOM 974 C CYS A 73 -7.213 1.776 -16.939 1.00 0.00 C ATOM 975 O CYS A 73 -7.454 2.876 -17.443 1.00 0.00 O ATOM 976 CB CYS A 73 -9.338 1.522 -15.492 1.00 0.00 C ATOM 977 SG CYS A 73 -10.330 0.299 -16.367 1.00 0.00 S ATOM 0 H CYS A 73 -7.692 3.008 -14.447 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.727 0.260 -15.545 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.594 1.488 -14.433 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.606 2.515 -15.853 1.00 0.00 H new ATOM 982 N CYS A 74 -6.234 0.972 -17.360 1.00 0.00 N ATOM 983 CA CYS A 74 -5.399 1.329 -18.479 1.00 0.00 C ATOM 984 C CYS A 74 -5.110 0.200 -19.438 1.00 0.00 C ATOM 985 O CYS A 74 -4.911 -0.961 -19.062 1.00 0.00 O ATOM 986 CB CYS A 74 -4.050 1.838 -17.924 1.00 0.00 C ATOM 987 SG CYS A 74 -2.600 1.721 -19.054 1.00 0.00 S ATOM 0 H CYS A 74 -6.010 0.072 -16.934 1.00 0.00 H new ATOM 0 HA CYS A 74 -5.948 2.082 -19.045 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.173 2.881 -17.633 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.822 1.279 -17.017 1.00 0.00 H new ATOM 992 N SER A 75 -5.027 0.608 -20.686 1.00 0.00 N ATOM 993 CA SER A 75 -4.668 -0.285 -21.761 1.00 0.00 C ATOM 994 C SER A 75 -3.482 0.345 -22.523 1.00 0.00 C ATOM 995 O SER A 75 -2.652 0.983 -21.882 1.00 0.00 O ATOM 996 CB SER A 75 -5.892 -0.496 -22.669 1.00 0.00 C ATOM 997 OG SER A 75 -6.956 -1.095 -21.945 1.00 0.00 O ATOM 0 H SER A 75 -5.207 1.568 -20.981 1.00 0.00 H new ATOM 0 HA SER A 75 -4.364 -1.263 -21.389 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.217 0.461 -23.078 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.619 -1.128 -23.514 1.00 0.00 H new ATOM 0 HG SER A 75 -7.792 -0.623 -22.142 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.393 0.296 -23.879 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.326 0.967 -24.588 1.00 0.00 C ATOM 1005 C PRO A 76 -2.791 2.354 -24.971 1.00 0.00 C ATOM 1006 O PRO A 76 -2.004 3.286 -25.148 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.114 0.086 -25.825 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.351 -0.750 -25.959 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.290 -0.354 -24.841 1.00 0.00 C ATOM 0 HA PRO A 76 -1.409 1.090 -24.012 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.958 0.696 -26.715 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.230 -0.542 -25.709 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.820 -0.588 -26.929 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.106 -1.810 -25.897 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.070 0.323 -25.189 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.790 -1.220 -24.407 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.106 2.451 -25.148 1.00 0.00 N ATOM 1018 CA ASP A 77 -4.819 3.681 -25.569 1.00 0.00 C ATOM 1019 C ASP A 77 -4.576 4.769 -24.569 1.00 0.00 C ATOM 1020 O ASP A 77 -4.044 5.823 -24.909 1.00 0.00 O ATOM 1021 CB ASP A 77 -6.323 3.413 -25.698 1.00 0.00 C ATOM 1022 CG ASP A 77 -6.911 4.025 -26.952 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -6.203 4.052 -27.984 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -8.072 4.475 -26.909 1.00 0.00 O ATOM 0 H ASP A 77 -4.734 1.661 -25.002 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.440 3.993 -26.542 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.499 2.337 -25.705 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.837 3.815 -24.825 1.00 0.00 H new ATOM 1029 N GLY A 78 -4.839 4.464 -23.296 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.503 5.387 -22.241 1.00 0.00 C ATOM 1031 C GLY A 78 -4.651 4.783 -20.875 1.00 0.00 C ATOM 1032 O GLY A 78 -5.438 3.853 -20.683 1.00 0.00 O ATOM 0 H GLY A 78 -5.277 3.596 -22.987 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.476 5.727 -22.374 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.142 6.267 -22.316 1.00 0.00 H new ATOM 1036 N CYS A 79 -3.964 5.333 -19.897 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.101 4.862 -18.529 1.00 0.00 C ATOM 1038 C CYS A 79 -4.643 5.936 -17.673 1.00 0.00 C ATOM 1039 O CYS A 79 -4.349 7.118 -17.845 1.00 0.00 O ATOM 1040 CB CYS A 79 -2.807 4.462 -17.855 1.00 0.00 C ATOM 1041 SG CYS A 79 -1.666 3.525 -18.905 1.00 0.00 S ATOM 0 H CYS A 79 -3.307 6.104 -20.019 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.747 3.989 -18.622 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.302 5.362 -17.505 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.041 3.865 -16.973 1.00 0.00 H new ATOM 1046 N GLU A 80 -5.446 5.523 -16.740 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.052 6.458 -15.836 1.00 0.00 C ATOM 1048 C GLU A 80 -6.383 5.815 -14.507 1.00 0.00 C ATOM 1049 O GLU A 80 -6.870 4.688 -14.458 1.00 0.00 O ATOM 1050 CB GLU A 80 -7.309 7.066 -16.463 1.00 0.00 C ATOM 1051 CG GLU A 80 -8.428 6.061 -16.682 1.00 0.00 C ATOM 1052 CD GLU A 80 -9.764 6.550 -16.156 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -9.875 6.765 -14.930 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -10.696 6.722 -16.967 1.00 0.00 O ATOM 0 H GLU A 80 -5.698 4.547 -16.583 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.330 7.252 -15.647 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.673 7.868 -15.821 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.046 7.518 -17.419 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.517 5.849 -17.747 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.170 5.123 -16.191 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.132 6.549 -13.424 1.00 0.00 N ATOM 1062 CA GLU A 81 -6.415 6.061 -12.102 1.00 0.00 C ATOM 1063 C GLU A 81 -7.868 5.660 -12.049 1.00 0.00 C ATOM 1064 O GLU A 81 -8.765 6.497 -12.182 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.090 7.136 -11.064 1.00 0.00 C ATOM 1066 CG GLU A 81 -6.448 8.530 -11.498 1.00 0.00 C ATOM 1067 CD GLU A 81 -5.275 9.489 -11.420 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -4.150 9.080 -11.771 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -5.482 10.649 -11.001 1.00 0.00 O ATOM 0 H GLU A 81 -5.731 7.487 -13.451 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.796 5.194 -11.872 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.620 6.906 -10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.024 7.099 -10.838 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.821 8.502 -12.522 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.259 8.903 -10.873 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.096 4.373 -11.854 1.00 0.00 N ATOM 1077 CA ASP A 82 -9.427 3.873 -11.798 1.00 0.00 C ATOM 1078 C ASP A 82 -9.886 3.677 -10.356 1.00 0.00 C ATOM 1079 O ASP A 82 -9.467 2.750 -9.673 1.00 0.00 O ATOM 1080 CB ASP A 82 -9.583 2.588 -12.654 1.00 0.00 C ATOM 1081 CG ASP A 82 -8.621 1.485 -12.295 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -8.052 1.556 -11.210 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -8.462 0.535 -13.089 1.00 0.00 O ATOM 0 H ASP A 82 -7.367 3.669 -11.734 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.088 4.621 -12.236 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.602 2.215 -12.547 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.447 2.846 -13.704 1.00 0.00 H new ATOM 1088 N PRO A 83 -10.770 4.573 -9.877 1.00 0.00 N ATOM 1089 CA PRO A 83 -11.339 4.508 -8.536 1.00 0.00 C ATOM 1090 C PRO A 83 -12.052 3.179 -8.373 1.00 0.00 C ATOM 1091 O PRO A 83 -12.299 2.688 -7.270 1.00 0.00 O ATOM 1092 CB PRO A 83 -12.323 5.687 -8.520 1.00 0.00 C ATOM 1093 CG PRO A 83 -11.776 6.614 -9.535 1.00 0.00 C ATOM 1094 CD PRO A 83 -11.282 5.712 -10.622 1.00 0.00 C ATOM 0 HA PRO A 83 -10.612 4.572 -7.727 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.334 5.368 -8.773 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.372 6.154 -7.536 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.540 7.300 -9.902 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.970 7.224 -9.126 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.081 5.424 -11.305 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.506 6.187 -11.222 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.286 2.588 -9.524 1.00 0.00 N ATOM 1103 CA ALA A 84 -12.862 1.293 -9.652 1.00 0.00 C ATOM 1104 C ALA A 84 -11.894 0.275 -9.103 1.00 0.00 C ATOM 1105 O ALA A 84 -12.244 -0.861 -8.774 1.00 0.00 O ATOM 1106 CB ALA A 84 -13.089 1.051 -11.126 1.00 0.00 C ATOM 0 H ALA A 84 -12.068 3.022 -10.421 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.802 1.215 -9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.531 0.065 -11.269 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.763 1.812 -11.520 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.137 1.101 -11.654 1.00 0.00 H new ATOM 1112 N CYS A 85 -10.650 0.719 -9.015 1.00 0.00 N ATOM 1113 CA CYS A 85 -9.593 -0.105 -8.519 1.00 0.00 C ATOM 1114 C CYS A 85 -8.863 0.383 -7.251 1.00 0.00 C ATOM 1115 O CYS A 85 -8.418 -0.487 -6.498 1.00 0.00 O ATOM 1116 CB CYS A 85 -8.574 -0.444 -9.584 1.00 0.00 C ATOM 1117 SG CYS A 85 -8.400 -2.237 -9.785 1.00 0.00 S ATOM 0 H CYS A 85 -10.360 1.658 -9.287 1.00 0.00 H new ATOM 0 HA CYS A 85 -10.137 -0.998 -8.213 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.874 0.003 -10.532 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -7.610 -0.011 -9.318 1.00 0.00 H new ATOM 1122 N ASP A 86 -8.672 1.712 -6.985 1.00 0.00 N ATOM 1123 CA ASP A 86 -7.890 2.066 -5.746 1.00 0.00 C ATOM 1124 C ASP A 86 -7.348 3.500 -5.499 1.00 0.00 C ATOM 1125 O ASP A 86 -6.975 3.793 -4.363 1.00 0.00 O ATOM 1126 CB ASP A 86 -6.598 1.287 -5.799 1.00 0.00 C ATOM 1127 CG ASP A 86 -5.972 1.071 -4.432 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -6.381 0.117 -3.739 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -5.070 1.852 -4.054 1.00 0.00 O ATOM 0 H ASP A 86 -9.010 2.493 -7.548 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.642 1.877 -4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.784 0.318 -6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.889 1.815 -6.437 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.155 4.366 -6.497 1.00 0.00 N ATOM 1135 CA PRO A 87 -6.507 5.647 -6.285 1.00 0.00 C ATOM 1136 C PRO A 87 -7.465 6.756 -6.124 1.00 0.00 C ATOM 1137 O PRO A 87 -7.629 7.336 -5.049 1.00 0.00 O ATOM 1138 CB PRO A 87 -5.713 5.841 -7.572 1.00 0.00 C ATOM 1139 CG PRO A 87 -6.201 4.793 -8.499 1.00 0.00 C ATOM 1140 CD PRO A 87 -7.431 4.195 -7.894 1.00 0.00 C ATOM 0 HA PRO A 87 -5.911 5.650 -5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.873 6.837 -7.986 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.643 5.739 -7.392 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.423 5.220 -9.477 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.438 4.029 -8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.338 4.715 -8.203 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.557 3.147 -8.165 1.00 0.00 H new ATOM 1148 N GLU A 88 -8.121 7.013 -7.213 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.129 8.043 -7.245 1.00 0.00 C ATOM 1150 C GLU A 88 -10.393 7.443 -6.653 1.00 0.00 C ATOM 1151 O GLU A 88 -11.493 8.001 -6.689 1.00 0.00 O ATOM 1152 CB GLU A 88 -9.377 8.425 -8.699 1.00 0.00 C ATOM 1153 CG GLU A 88 -10.004 9.802 -8.891 1.00 0.00 C ATOM 1154 CD GLU A 88 -10.170 10.185 -10.355 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -10.774 9.394 -11.111 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -9.708 11.280 -10.740 1.00 0.00 O ATOM 0 H GLU A 88 -7.980 6.525 -8.098 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.825 8.928 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.430 8.392 -9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.027 7.677 -9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.979 9.822 -8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.385 10.549 -8.394 1.00 0.00 H new ATOM 1163 N ALA A 89 -10.149 6.202 -6.248 1.00 0.00 N ATOM 1164 CA ALA A 89 -11.091 5.228 -5.753 1.00 0.00 C ATOM 1165 C ALA A 89 -11.753 5.458 -4.405 1.00 0.00 C ATOM 1166 O ALA A 89 -11.491 6.386 -3.643 1.00 0.00 O ATOM 1167 CB ALA A 89 -10.370 3.874 -5.735 1.00 0.00 C ATOM 0 H ALA A 89 -9.200 5.827 -6.262 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.937 5.297 -6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.049 3.105 -5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.049 3.619 -6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.500 3.934 -5.082 1.00 0.00 H new ATOM 1173 N ALA A 90 -12.547 4.432 -4.188 1.00 0.00 N ATOM 1174 CA ALA A 90 -13.342 4.088 -3.049 1.00 0.00 C ATOM 1175 C ALA A 90 -12.594 3.008 -2.277 1.00 0.00 C ATOM 1176 O ALA A 90 -11.384 2.860 -2.447 1.00 0.00 O ATOM 1177 CB ALA A 90 -14.651 3.524 -3.553 1.00 0.00 C ATOM 0 H ALA A 90 -12.658 3.727 -4.916 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.527 4.951 -2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.280 3.252 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.161 4.274 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.457 2.639 -4.159 1.00 0.00 H new ATOM 1183 N PHE A 91 -13.302 2.206 -1.488 1.00 0.00 N ATOM 1184 CA PHE A 91 -12.645 1.109 -0.800 1.00 0.00 C ATOM 1185 C PHE A 91 -12.487 0.014 -1.841 1.00 0.00 C ATOM 1186 O PHE A 91 -12.949 -1.116 -1.681 1.00 0.00 O ATOM 1187 CB PHE A 91 -13.465 0.618 0.395 1.00 0.00 C ATOM 1188 CG PHE A 91 -14.945 0.524 0.122 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -15.715 1.670 -0.019 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -15.565 -0.708 0.013 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -17.069 1.587 -0.265 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -16.921 -0.798 -0.231 1.00 0.00 C ATOM 1193 CZ PHE A 91 -17.673 0.350 -0.371 1.00 0.00 C ATOM 0 H PHE A 91 -14.303 2.293 -1.314 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.684 1.420 -0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -13.098 -0.363 0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -13.303 1.292 1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -15.247 2.640 0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -14.981 -1.610 0.120 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -17.656 2.487 -0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -17.392 -1.766 -0.312 1.00 0.00 H new ATOM 0 HZ PHE A 91 -18.733 0.281 -0.563 1.00 0.00 H new ATOM 1203 N SER A 92 -11.838 0.412 -2.938 1.00 0.00 N ATOM 1204 CA SER A 92 -11.594 -0.440 -4.084 1.00 0.00 C ATOM 1205 C SER A 92 -10.158 -0.935 -4.102 1.00 0.00 C ATOM 1206 O SER A 92 -9.947 -2.165 -4.042 1.00 0.00 O ATOM 1207 CB SER A 92 -11.907 0.338 -5.374 1.00 0.00 C ATOM 1208 OG SER A 92 -11.388 -0.335 -6.503 1.00 0.00 O ATOM 1209 OXT SER A 92 -9.242 -0.086 -4.171 1.00 0.00 O ATOM 0 H SER A 92 -11.464 1.355 -3.048 1.00 0.00 H new ATOM 0 HA SER A 92 -12.245 -1.312 -4.017 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.985 0.457 -5.480 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.480 1.339 -5.313 1.00 0.00 H new ATOM 0 HG SER A 92 -12.120 -0.763 -6.994 1.00 0.00 H new TER 1215 SER A 92