USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 786 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 50 TYR OH : rot -160:sc= 0.308 USER MOD Set 1.2: A 60 HIS : no HD1:sc= -6.28! C(o=-6!,f=-5.1!) USER MOD Set 2.1: A 31 GLN : amide:sc= -0.619! C(o=-0.56!,f=-3.3!) USER MOD Set 2.2: A 32 THR OG1 : rot -120:sc= 0.0601 USER MOD Set 3.1: A 22 ASN : amide:sc= -0.871 X(o=0.44,f=0.56) USER MOD Set 3.2: A 72 THR OG1 : rot -42:sc= 1.31 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.2) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0468 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0332 USER MOD Single : A 34 SER OG : rot 92:sc= 0.0961 USER MOD Single : A 35 THR OG1 : rot -167:sc= 1.46 USER MOD Single : A 41 SER OG : rot 180:sc= -0.097 USER MOD Single : A 45 LYS NZ :NH3+ -131:sc= 1.21 (180deg=-0.0642) USER MOD Single : A 57 GLN : amide:sc= -0.298 K(o=-0.3,f=-1) USER MOD Single : A 59 GLN : amide:sc= 0.526 K(o=0.53,f=-0.18) USER MOD Single : A 64 SER OG : rot 180:sc= 0.135 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -1.95! K(o=-1.9!,f=-0.29) USER MOD Single : A 70 THR OG1 : rot -87:sc= 1.25 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 108:sc= 0.677 USER MOD Single : A 83 GLN : amide:sc= -0.236 K(o=-0.24,f=-2!) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.13) USER MOD Single : A 89 ASN : amide:sc= 0.126 X(o=0.13,f=-0.36) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 95 SER OG : rot 98:sc= -0.984! USER MOD Single : A 98 SER OG : rot -57:sc= 0.568 USER MOD Single : A 102 HIS : no HE2:sc= -0.651 K(o=-0.65,f=-2.4) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.00416 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 7 16.850 -4.964 2.051 1.00 1.09 N ATOM 78 CA LYS A 7 15.443 -4.682 1.846 1.00 1.10 C ATOM 79 C LYS A 7 14.976 -3.648 2.860 1.00 0.91 C ATOM 80 O LYS A 7 15.291 -3.750 4.048 1.00 0.98 O ATOM 81 CB LYS A 7 14.607 -5.966 1.952 1.00 1.37 C ATOM 82 CG LYS A 7 14.875 -6.785 3.205 1.00 1.06 C ATOM 83 CD LYS A 7 13.633 -6.890 4.076 1.00 1.05 C ATOM 84 CE LYS A 7 13.821 -7.896 5.198 1.00 1.34 C ATOM 85 NZ LYS A 7 14.109 -7.231 6.493 1.00 2.06 N ATOM 0 HA LYS A 7 15.306 -4.280 0.842 1.00 1.10 H new ATOM 0 HB2 LYS A 7 13.550 -5.701 1.924 1.00 1.37 H new ATOM 0 HB3 LYS A 7 14.803 -6.587 1.078 1.00 1.37 H new ATOM 0 HG2 LYS A 7 15.210 -7.784 2.924 1.00 1.06 H new ATOM 0 HG3 LYS A 7 15.683 -6.327 3.775 1.00 1.06 H new ATOM 0 HD2 LYS A 7 13.400 -5.912 4.498 1.00 1.05 H new ATOM 0 HD3 LYS A 7 12.781 -7.183 3.462 1.00 1.05 H new ATOM 0 HE2 LYS A 7 12.922 -8.505 5.294 1.00 1.34 H new ATOM 0 HE3 LYS A 7 14.639 -8.572 4.947 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 14.231 -7.951 7.233 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 14.981 -6.670 6.409 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 13.318 -6.605 6.746 1.00 2.06 H new ATOM 99 N PRO A 8 14.321 -2.577 2.389 1.00 0.74 N ATOM 100 CA PRO A 8 13.879 -1.484 3.254 1.00 0.60 C ATOM 101 C PRO A 8 12.971 -1.976 4.371 1.00 0.52 C ATOM 102 O PRO A 8 12.434 -3.085 4.313 1.00 0.60 O ATOM 103 CB PRO A 8 13.111 -0.560 2.310 1.00 0.61 C ATOM 104 CG PRO A 8 13.660 -0.855 0.959 1.00 0.84 C ATOM 105 CD PRO A 8 14.024 -2.314 0.970 1.00 0.81 C ATOM 0 HA PRO A 8 14.716 -0.995 3.753 1.00 0.60 H new ATOM 0 HB2 PRO A 8 12.039 -0.754 2.352 1.00 0.61 H new ATOM 0 HB3 PRO A 8 13.257 0.487 2.576 1.00 0.61 H new ATOM 0 HG2 PRO A 8 12.924 -0.642 0.184 1.00 0.84 H new ATOM 0 HG3 PRO A 8 14.533 -0.237 0.749 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.205 -2.936 0.608 1.00 0.81 H new ATOM 0 HD3 PRO A 8 14.885 -2.519 0.334 1.00 0.81 H new ATOM 113 N ASP A 9 12.776 -1.144 5.375 1.00 0.44 N ATOM 114 CA ASP A 9 11.909 -1.506 6.482 1.00 0.48 C ATOM 115 C ASP A 9 10.461 -1.243 6.095 1.00 0.41 C ATOM 116 O ASP A 9 10.209 -0.491 5.150 1.00 0.41 O ATOM 117 CB ASP A 9 12.286 -0.716 7.737 1.00 0.61 C ATOM 118 CG ASP A 9 13.027 -1.553 8.756 1.00 1.02 C ATOM 119 OD1 ASP A 9 13.508 -2.649 8.402 1.00 1.19 O ATOM 120 OD2 ASP A 9 13.136 -1.114 9.921 1.00 1.53 O ATOM 0 H ASP A 9 13.202 -0.220 5.449 1.00 0.44 H new ATOM 0 HA ASP A 9 12.031 -2.566 6.704 1.00 0.48 H new ATOM 0 HB2 ASP A 9 12.905 0.135 7.453 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.381 -0.314 8.193 1.00 0.61 H new ATOM 125 N PRO A 10 9.496 -1.892 6.772 1.00 0.56 N ATOM 126 CA PRO A 10 8.072 -1.737 6.471 1.00 0.74 C ATOM 127 C PRO A 10 7.670 -0.270 6.367 1.00 0.67 C ATOM 128 O PRO A 10 8.037 0.540 7.223 1.00 0.97 O ATOM 129 CB PRO A 10 7.363 -2.406 7.660 1.00 1.05 C ATOM 130 CG PRO A 10 8.435 -2.719 8.653 1.00 1.12 C ATOM 131 CD PRO A 10 9.706 -2.847 7.864 1.00 0.78 C ATOM 0 HA PRO A 10 7.810 -2.181 5.511 1.00 0.74 H new ATOM 0 HB2 PRO A 10 6.613 -1.743 8.091 1.00 1.05 H new ATOM 0 HB3 PRO A 10 6.845 -3.312 7.346 1.00 1.05 H new ATOM 0 HG2 PRO A 10 8.517 -1.929 9.400 1.00 1.12 H new ATOM 0 HG3 PRO A 10 8.213 -3.642 9.188 1.00 1.12 H new ATOM 0 HD2 PRO A 10 10.582 -2.595 8.461 1.00 0.78 H new ATOM 0 HD3 PRO A 10 9.854 -3.861 7.494 1.00 0.78 H new ATOM 139 N PRO A 11 6.987 0.099 5.266 1.00 0.37 N ATOM 140 CA PRO A 11 6.584 1.483 5.007 1.00 0.38 C ATOM 141 C PRO A 11 5.941 2.137 6.222 1.00 0.28 C ATOM 142 O PRO A 11 5.067 1.559 6.866 1.00 0.35 O ATOM 143 CB PRO A 11 5.566 1.345 3.876 1.00 0.50 C ATOM 144 CG PRO A 11 5.964 0.109 3.147 1.00 0.64 C ATOM 145 CD PRO A 11 6.611 -0.802 4.160 1.00 0.41 C ATOM 0 HA PRO A 11 7.436 2.117 4.761 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.551 1.264 4.266 1.00 0.50 H new ATOM 0 HB3 PRO A 11 5.586 2.214 3.219 1.00 0.50 H new ATOM 0 HG2 PRO A 11 5.096 -0.370 2.695 1.00 0.64 H new ATOM 0 HG3 PRO A 11 6.657 0.343 2.338 1.00 0.64 H new ATOM 0 HD2 PRO A 11 5.923 -1.578 4.495 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.483 -1.307 3.743 1.00 0.41 H new ATOM 153 N GLU A 12 6.387 3.335 6.540 1.00 0.28 N ATOM 154 CA GLU A 12 5.854 4.057 7.677 1.00 0.30 C ATOM 155 C GLU A 12 4.725 4.974 7.233 1.00 0.28 C ATOM 156 O GLU A 12 4.500 5.145 6.038 1.00 0.31 O ATOM 157 CB GLU A 12 6.958 4.864 8.357 1.00 0.47 C ATOM 158 CG GLU A 12 7.217 4.442 9.793 1.00 0.98 C ATOM 159 CD GLU A 12 5.943 4.071 10.525 1.00 1.58 C ATOM 160 OE1 GLU A 12 5.077 4.953 10.714 1.00 2.09 O ATOM 161 OE2 GLU A 12 5.797 2.893 10.911 1.00 2.11 O ATOM 0 H GLU A 12 7.117 3.829 6.027 1.00 0.28 H new ATOM 0 HA GLU A 12 5.458 3.338 8.394 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.879 4.760 7.784 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.689 5.920 8.339 1.00 0.47 H new ATOM 0 HG2 GLU A 12 7.899 3.591 9.802 1.00 0.98 H new ATOM 0 HG3 GLU A 12 7.714 5.254 10.323 1.00 0.98 H new ATOM 168 N ASN A 13 4.028 5.561 8.201 1.00 0.33 N ATOM 169 CA ASN A 13 2.945 6.507 7.928 1.00 0.37 C ATOM 170 C ASN A 13 1.866 5.881 7.046 1.00 0.32 C ATOM 171 O ASN A 13 1.233 6.558 6.239 1.00 0.35 O ATOM 172 CB ASN A 13 3.509 7.768 7.263 1.00 0.45 C ATOM 173 CG ASN A 13 2.564 8.949 7.332 1.00 0.62 C ATOM 174 OD1 ASN A 13 2.097 9.331 8.406 1.00 0.82 O ATOM 175 ND2 ASN A 13 2.279 9.537 6.182 1.00 1.01 N ATOM 0 H ASN A 13 4.195 5.397 9.194 1.00 0.33 H new ATOM 0 HA ASN A 13 2.483 6.776 8.878 1.00 0.37 H new ATOM 0 HB2 ASN A 13 4.450 8.035 7.743 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.734 7.551 6.219 1.00 0.45 H new ATOM 0 HD21 ASN A 13 1.650 10.340 6.162 1.00 1.01 H new ATOM 0 HD22 ASN A 13 2.688 9.188 5.315 1.00 1.01 H new ATOM 182 N VAL A 14 1.683 4.576 7.183 1.00 0.30 N ATOM 183 CA VAL A 14 0.703 3.857 6.380 1.00 0.29 C ATOM 184 C VAL A 14 -0.700 4.052 6.934 1.00 0.32 C ATOM 185 O VAL A 14 -1.104 3.387 7.892 1.00 0.47 O ATOM 186 CB VAL A 14 1.005 2.346 6.307 1.00 0.34 C ATOM 187 CG1 VAL A 14 1.662 1.993 4.986 1.00 0.45 C ATOM 188 CG2 VAL A 14 1.875 1.905 7.470 1.00 0.69 C ATOM 0 H VAL A 14 2.199 3.993 7.842 1.00 0.30 H new ATOM 0 HA VAL A 14 0.766 4.272 5.374 1.00 0.29 H new ATOM 0 HB VAL A 14 0.057 1.812 6.374 1.00 0.34 H new ATOM 0 HG11 VAL A 14 1.866 0.923 4.956 1.00 0.45 H new ATOM 0 HG12 VAL A 14 0.995 2.258 4.166 1.00 0.45 H new ATOM 0 HG13 VAL A 14 2.597 2.544 4.886 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.072 0.836 7.392 1.00 0.69 H new ATOM 0 HG22 VAL A 14 2.819 2.450 7.446 1.00 0.69 H new ATOM 0 HG23 VAL A 14 1.360 2.112 8.408 1.00 0.69 H new ATOM 198 N VAL A 15 -1.431 4.975 6.339 1.00 0.27 N ATOM 199 CA VAL A 15 -2.787 5.264 6.769 1.00 0.35 C ATOM 200 C VAL A 15 -3.729 5.326 5.570 1.00 0.34 C ATOM 201 O VAL A 15 -3.512 6.095 4.629 1.00 0.39 O ATOM 202 CB VAL A 15 -2.858 6.581 7.588 1.00 0.43 C ATOM 203 CG1 VAL A 15 -2.158 7.724 6.865 1.00 1.34 C ATOM 204 CG2 VAL A 15 -4.301 6.947 7.909 1.00 1.48 C ATOM 0 H VAL A 15 -1.108 5.540 5.554 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.106 4.452 7.422 1.00 0.35 H new ATOM 0 HB VAL A 15 -2.333 6.412 8.528 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -2.227 8.631 7.466 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -1.109 7.469 6.711 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -2.636 7.891 5.900 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -4.322 7.873 8.483 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -4.857 7.082 6.981 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -4.758 6.148 8.493 1.00 1.48 H new ATOM 214 N ALA A 16 -4.747 4.476 5.592 1.00 0.35 N ATOM 215 CA ALA A 16 -5.730 4.421 4.522 1.00 0.38 C ATOM 216 C ALA A 16 -6.995 5.161 4.939 1.00 0.36 C ATOM 217 O ALA A 16 -7.505 4.964 6.045 1.00 0.39 O ATOM 218 CB ALA A 16 -6.041 2.976 4.166 1.00 0.45 C ATOM 0 H ALA A 16 -4.913 3.810 6.347 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.321 4.908 3.637 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -6.778 2.950 3.364 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.129 2.478 3.837 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.439 2.463 5.042 1.00 0.45 H new ATOM 224 N ARG A 17 -7.446 6.080 4.099 1.00 0.37 N ATOM 225 CA ARG A 17 -8.585 6.923 4.435 1.00 0.37 C ATOM 226 C ARG A 17 -9.599 6.941 3.300 1.00 0.35 C ATOM 227 O ARG A 17 -9.237 7.114 2.142 1.00 0.48 O ATOM 228 CB ARG A 17 -8.123 8.353 4.737 1.00 0.50 C ATOM 229 CG ARG A 17 -6.998 8.430 5.758 1.00 1.21 C ATOM 230 CD ARG A 17 -7.423 9.194 7.002 1.00 1.69 C ATOM 231 NE ARG A 17 -8.341 8.423 7.838 1.00 2.32 N ATOM 232 CZ ARG A 17 -9.618 8.740 8.025 1.00 3.06 C ATOM 233 NH1 ARG A 17 -10.114 9.850 7.494 1.00 3.37 N ATOM 234 NH2 ARG A 17 -10.393 7.965 8.771 1.00 3.99 N ATOM 0 H ARG A 17 -7.042 6.262 3.180 1.00 0.37 H new ATOM 0 HA ARG A 17 -9.060 6.506 5.323 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -7.793 8.822 3.810 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -8.973 8.930 5.102 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -6.689 7.423 6.037 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -6.132 8.916 5.310 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -6.540 9.458 7.584 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -7.901 10.128 6.707 1.00 1.69 H new ATOM 0 HE ARG A 17 -7.980 7.592 8.306 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -9.515 10.463 6.941 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -11.094 10.091 7.639 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -10.009 7.124 9.202 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -11.373 8.210 8.914 1.00 3.99 H new ATOM 248 N PRO A 18 -10.883 6.743 3.611 1.00 0.31 N ATOM 249 CA PRO A 18 -11.942 6.743 2.601 1.00 0.38 C ATOM 250 C PRO A 18 -12.159 8.115 1.980 1.00 0.39 C ATOM 251 O PRO A 18 -12.177 9.131 2.679 1.00 0.46 O ATOM 252 CB PRO A 18 -13.189 6.312 3.374 1.00 0.49 C ATOM 253 CG PRO A 18 -12.892 6.622 4.801 1.00 0.57 C ATOM 254 CD PRO A 18 -11.404 6.489 4.965 1.00 0.43 C ATOM 0 HA PRO A 18 -11.694 6.087 1.767 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -14.071 6.851 3.030 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.390 5.250 3.236 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -13.222 7.629 5.056 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -13.418 5.936 5.465 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -11.014 7.208 5.686 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -11.127 5.497 5.322 1.00 0.43 H new ATOM 262 N VAL A 19 -12.365 8.131 0.676 1.00 0.40 N ATOM 263 CA VAL A 19 -12.649 9.362 -0.035 1.00 0.45 C ATOM 264 C VAL A 19 -14.155 9.593 -0.084 1.00 0.48 C ATOM 265 O VAL A 19 -14.887 8.802 -0.674 1.00 0.47 O ATOM 266 CB VAL A 19 -12.090 9.333 -1.473 1.00 0.47 C ATOM 267 CG1 VAL A 19 -12.246 10.691 -2.134 1.00 0.59 C ATOM 268 CG2 VAL A 19 -10.630 8.904 -1.475 1.00 0.52 C ATOM 0 H VAL A 19 -12.340 7.300 0.086 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.161 10.175 0.503 1.00 0.45 H new ATOM 0 HB VAL A 19 -12.662 8.603 -2.046 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -11.846 10.651 -3.147 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -13.302 10.958 -2.171 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -11.702 11.440 -1.559 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.256 8.890 -2.499 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.043 9.607 -0.884 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.543 7.907 -1.044 1.00 0.52 H new ATOM 278 N PRO A 20 -14.645 10.644 0.588 1.00 0.58 N ATOM 279 CA PRO A 20 -16.083 10.931 0.678 1.00 0.69 C ATOM 280 C PRO A 20 -16.681 11.360 -0.659 1.00 0.70 C ATOM 281 O PRO A 20 -17.897 11.440 -0.808 1.00 1.27 O ATOM 282 CB PRO A 20 -16.161 12.081 1.688 1.00 0.84 C ATOM 283 CG PRO A 20 -14.812 12.711 1.659 1.00 0.97 C ATOM 284 CD PRO A 20 -13.844 11.601 1.372 1.00 0.67 C ATOM 0 HA PRO A 20 -16.650 10.047 0.972 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -16.937 12.796 1.413 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -16.404 11.715 2.685 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -14.758 13.484 0.892 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -14.585 13.191 2.611 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -12.980 11.956 0.811 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -13.465 11.151 2.290 1.00 0.67 H new ATOM 292 N SER A 21 -15.821 11.664 -1.619 1.00 0.80 N ATOM 293 CA SER A 21 -16.268 12.121 -2.925 1.00 0.85 C ATOM 294 C SER A 21 -16.638 10.948 -3.835 1.00 0.65 C ATOM 295 O SER A 21 -17.233 11.139 -4.897 1.00 0.69 O ATOM 296 CB SER A 21 -15.170 12.964 -3.569 1.00 1.07 C ATOM 297 OG SER A 21 -14.186 13.324 -2.607 1.00 1.49 O ATOM 0 H SER A 21 -14.808 11.602 -1.517 1.00 0.80 H new ATOM 0 HA SER A 21 -17.165 12.725 -2.790 1.00 0.85 H new ATOM 0 HB2 SER A 21 -14.705 12.406 -4.382 1.00 1.07 H new ATOM 0 HB3 SER A 21 -15.604 13.863 -4.007 1.00 1.07 H new ATOM 0 HG SER A 21 -13.489 13.862 -3.037 1.00 1.49 H new ATOM 303 N ASN A 22 -16.276 9.737 -3.425 1.00 0.55 N ATOM 304 CA ASN A 22 -16.558 8.550 -4.221 1.00 0.44 C ATOM 305 C ASN A 22 -16.752 7.335 -3.322 1.00 0.40 C ATOM 306 O ASN A 22 -15.854 6.967 -2.560 1.00 0.43 O ATOM 307 CB ASN A 22 -15.420 8.299 -5.214 1.00 0.57 C ATOM 308 CG ASN A 22 -15.643 7.062 -6.060 1.00 0.74 C ATOM 309 OD1 ASN A 22 -16.760 6.773 -6.485 1.00 0.94 O ATOM 310 ND2 ASN A 22 -14.574 6.331 -6.315 1.00 1.28 N ATOM 0 H ASN A 22 -15.788 9.553 -2.548 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.481 8.717 -4.777 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -15.315 9.166 -5.866 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.483 8.196 -4.667 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -14.656 5.489 -6.885 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -13.666 6.608 -5.942 1.00 1.28 H new ATOM 317 N PRO A 23 -17.936 6.702 -3.388 1.00 0.40 N ATOM 318 CA PRO A 23 -18.297 5.549 -2.543 1.00 0.43 C ATOM 319 C PRO A 23 -17.564 4.265 -2.923 1.00 0.48 C ATOM 320 O PRO A 23 -18.133 3.174 -2.871 1.00 0.98 O ATOM 321 CB PRO A 23 -19.805 5.375 -2.788 1.00 0.56 C ATOM 322 CG PRO A 23 -20.242 6.611 -3.497 1.00 0.70 C ATOM 323 CD PRO A 23 -19.049 7.091 -4.261 1.00 0.48 C ATOM 0 HA PRO A 23 -18.026 5.732 -1.503 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -20.005 4.488 -3.389 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -20.343 5.251 -1.848 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -21.076 6.402 -4.167 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.582 7.367 -2.790 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.979 6.621 -5.242 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.079 8.168 -4.425 1.00 0.48 H new ATOM 331 N ARG A 24 -16.315 4.400 -3.331 1.00 0.31 N ATOM 332 CA ARG A 24 -15.514 3.255 -3.743 1.00 0.27 C ATOM 333 C ARG A 24 -14.022 3.566 -3.650 1.00 0.26 C ATOM 334 O ARG A 24 -13.185 2.745 -4.028 1.00 0.31 O ATOM 335 CB ARG A 24 -15.868 2.869 -5.182 1.00 0.35 C ATOM 336 CG ARG A 24 -15.986 1.372 -5.404 1.00 0.37 C ATOM 337 CD ARG A 24 -17.167 1.031 -6.291 1.00 0.62 C ATOM 338 NE ARG A 24 -17.950 -0.084 -5.758 1.00 1.27 N ATOM 339 CZ ARG A 24 -18.126 -1.238 -6.396 1.00 2.02 C ATOM 340 NH1 ARG A 24 -17.486 -1.476 -7.535 1.00 2.44 N ATOM 341 NH2 ARG A 24 -18.923 -2.170 -5.884 1.00 2.86 N ATOM 0 H ARG A 24 -15.829 5.295 -3.387 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.735 2.425 -3.072 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -16.811 3.343 -5.454 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -15.107 3.267 -5.853 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.069 0.998 -5.858 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -16.094 0.869 -4.443 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -17.808 1.907 -6.394 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -16.809 0.778 -7.289 1.00 0.62 H new ATOM 0 HE ARG A 24 -18.387 0.030 -4.843 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -16.857 -0.773 -7.923 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -17.623 -2.362 -8.022 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -19.402 -2.002 -4.999 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -19.056 -3.054 -6.376 1.00 2.86 H new ATOM 355 N ARG A 25 -13.687 4.771 -3.189 1.00 0.23 N ATOM 356 CA ARG A 25 -12.300 5.217 -3.191 1.00 0.26 C ATOM 357 C ARG A 25 -11.675 5.195 -1.800 1.00 0.24 C ATOM 358 O ARG A 25 -12.225 5.748 -0.845 1.00 0.24 O ATOM 359 CB ARG A 25 -12.203 6.629 -3.774 1.00 0.32 C ATOM 360 CG ARG A 25 -11.052 6.811 -4.748 1.00 0.51 C ATOM 361 CD ARG A 25 -11.312 7.952 -5.718 1.00 0.80 C ATOM 362 NE ARG A 25 -10.970 7.583 -7.090 1.00 1.32 N ATOM 363 CZ ARG A 25 -11.743 7.831 -8.149 1.00 1.71 C ATOM 364 NH1 ARG A 25 -12.842 8.563 -8.021 1.00 2.14 N ATOM 365 NH2 ARG A 25 -11.383 7.396 -9.350 1.00 2.31 N ATOM 0 H ARG A 25 -14.352 5.447 -2.814 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.742 4.516 -3.812 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -13.138 6.868 -4.282 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -12.092 7.343 -2.958 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.134 7.006 -4.194 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -10.897 5.887 -5.306 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -12.362 8.239 -5.669 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -10.729 8.823 -5.419 1.00 0.80 H new ATOM 0 HE ARG A 25 -10.083 7.105 -7.248 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -13.100 8.940 -7.109 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -13.429 8.749 -8.835 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -10.515 6.872 -9.464 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -11.974 7.586 -10.159 1.00 2.31 H new ATOM 379 N LEU A 26 -10.454 4.684 -1.744 1.00 0.29 N ATOM 380 CA LEU A 26 -9.638 4.730 -0.543 1.00 0.35 C ATOM 381 C LEU A 26 -8.319 5.426 -0.851 1.00 0.39 C ATOM 382 O LEU A 26 -7.640 5.082 -1.821 1.00 0.44 O ATOM 383 CB LEU A 26 -9.340 3.320 -0.022 1.00 0.44 C ATOM 384 CG LEU A 26 -10.526 2.559 0.570 1.00 0.36 C ATOM 385 CD1 LEU A 26 -10.087 1.174 1.018 1.00 0.46 C ATOM 386 CD2 LEU A 26 -11.114 3.328 1.736 1.00 0.43 C ATOM 0 H LEU A 26 -10.001 4.224 -2.534 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.191 5.278 0.220 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -8.929 2.731 -0.842 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.564 3.392 0.740 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.293 2.452 -0.197 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -10.939 0.640 1.438 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -9.698 0.621 0.163 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -9.308 1.266 1.775 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -11.958 2.775 2.148 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -10.354 3.458 2.507 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -11.454 4.305 1.393 1.00 0.43 H new ATOM 398 N GLU A 27 -7.942 6.364 -0.006 1.00 0.41 N ATOM 399 CA GLU A 27 -6.672 7.048 -0.139 1.00 0.47 C ATOM 400 C GLU A 27 -5.627 6.347 0.716 1.00 0.41 C ATOM 401 O GLU A 27 -5.684 6.391 1.946 1.00 0.48 O ATOM 402 CB GLU A 27 -6.811 8.510 0.286 1.00 0.51 C ATOM 403 CG GLU A 27 -5.665 9.391 -0.179 1.00 0.99 C ATOM 404 CD GLU A 27 -6.000 10.167 -1.435 1.00 1.26 C ATOM 405 OE1 GLU A 27 -6.941 10.985 -1.400 1.00 1.63 O ATOM 406 OE2 GLU A 27 -5.336 9.952 -2.473 1.00 1.82 O ATOM 0 H GLU A 27 -8.504 6.672 0.788 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.358 7.022 -1.182 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -7.746 8.907 -0.109 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -6.878 8.559 1.373 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -5.403 10.089 0.616 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -4.787 8.772 -0.362 1.00 0.99 H new ATOM 413 N VAL A 28 -4.694 5.675 0.063 1.00 0.40 N ATOM 414 CA VAL A 28 -3.636 4.967 0.759 1.00 0.38 C ATOM 415 C VAL A 28 -2.368 5.798 0.759 1.00 0.35 C ATOM 416 O VAL A 28 -1.675 5.900 -0.256 1.00 0.42 O ATOM 417 CB VAL A 28 -3.325 3.588 0.138 1.00 0.49 C ATOM 418 CG1 VAL A 28 -3.360 2.512 1.208 1.00 0.61 C ATOM 419 CG2 VAL A 28 -4.283 3.252 -0.994 1.00 0.68 C ATOM 0 H VAL A 28 -4.649 5.606 -0.954 1.00 0.40 H new ATOM 0 HA VAL A 28 -3.992 4.802 1.776 1.00 0.38 H new ATOM 0 HB VAL A 28 -2.322 3.631 -0.288 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -3.139 1.544 0.758 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -2.616 2.735 1.973 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -4.350 2.483 1.663 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -4.032 2.274 -1.405 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.304 3.234 -0.613 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -4.201 4.007 -1.776 1.00 0.68 H new ATOM 429 N THR A 29 -2.094 6.424 1.881 1.00 0.31 N ATOM 430 CA THR A 29 -0.918 7.259 2.017 1.00 0.30 C ATOM 431 C THR A 29 0.135 6.557 2.860 1.00 0.28 C ATOM 432 O THR A 29 -0.201 5.866 3.824 1.00 0.31 O ATOM 433 CB THR A 29 -1.278 8.601 2.670 1.00 0.35 C ATOM 434 OG1 THR A 29 -2.532 8.488 3.364 1.00 0.69 O ATOM 435 CG2 THR A 29 -1.371 9.707 1.633 1.00 0.59 C ATOM 0 H THR A 29 -2.673 6.371 2.719 1.00 0.31 H new ATOM 0 HA THR A 29 -0.520 7.444 1.019 1.00 0.30 H new ATOM 0 HB THR A 29 -0.488 8.855 3.377 1.00 0.35 H new ATOM 0 HG1 THR A 29 -2.755 9.347 3.780 1.00 0.69 H new ATOM 0 HG21 THR A 29 -1.627 10.646 2.124 1.00 0.59 H new ATOM 0 HG22 THR A 29 -0.412 9.813 1.127 1.00 0.59 H new ATOM 0 HG23 THR A 29 -2.141 9.457 0.903 1.00 0.59 H new ATOM 443 N TRP A 30 1.397 6.718 2.494 1.00 0.27 N ATOM 444 CA TRP A 30 2.485 6.099 3.234 1.00 0.28 C ATOM 445 C TRP A 30 3.766 6.909 3.085 1.00 0.27 C ATOM 446 O TRP A 30 3.801 7.926 2.390 1.00 0.33 O ATOM 447 CB TRP A 30 2.713 4.656 2.763 1.00 0.29 C ATOM 448 CG TRP A 30 2.965 4.528 1.291 1.00 0.25 C ATOM 449 CD1 TRP A 30 4.138 4.770 0.639 1.00 0.40 C ATOM 450 CD2 TRP A 30 2.026 4.118 0.291 1.00 0.25 C ATOM 451 NE1 TRP A 30 3.981 4.550 -0.706 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.694 4.145 -0.945 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.685 3.731 0.322 1.00 0.39 C ATOM 454 CZ2 TRP A 30 2.065 3.807 -2.141 1.00 0.41 C ATOM 455 CZ3 TRP A 30 0.062 3.395 -0.865 1.00 0.49 C ATOM 456 CH2 TRP A 30 0.752 3.433 -2.081 1.00 0.46 C ATOM 0 H TRP A 30 1.693 7.271 1.690 1.00 0.27 H new ATOM 0 HA TRP A 30 2.207 6.079 4.288 1.00 0.28 H new ATOM 0 HB2 TRP A 30 3.562 4.238 3.304 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.841 4.057 3.025 1.00 0.29 H new ATOM 0 HD1 TRP A 30 5.055 5.088 1.112 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.706 4.669 -1.414 1.00 0.44 H new ATOM 0 HE3 TRP A 30 0.144 3.695 1.256 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 2.596 3.839 -3.081 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -0.976 3.098 -0.853 1.00 0.49 H new ATOM 0 HH2 TRP A 30 0.237 3.161 -2.991 1.00 0.46 H new ATOM 467 N GLN A 31 4.808 6.447 3.751 1.00 0.28 N ATOM 468 CA GLN A 31 6.109 7.081 3.718 1.00 0.29 C ATOM 469 C GLN A 31 7.184 6.011 3.839 1.00 0.29 C ATOM 470 O GLN A 31 6.876 4.846 4.101 1.00 0.29 O ATOM 471 CB GLN A 31 6.240 8.078 4.873 1.00 0.32 C ATOM 472 CG GLN A 31 6.329 9.531 4.434 1.00 0.64 C ATOM 473 CD GLN A 31 7.007 9.703 3.089 1.00 0.85 C ATOM 474 OE1 GLN A 31 8.137 9.256 2.886 1.00 1.65 O ATOM 475 NE2 GLN A 31 6.325 10.356 2.165 1.00 0.79 N ATOM 0 H GLN A 31 4.772 5.612 4.336 1.00 0.28 H new ATOM 0 HA GLN A 31 6.226 7.619 2.777 1.00 0.29 H new ATOM 0 HB2 GLN A 31 5.383 7.962 5.537 1.00 0.32 H new ATOM 0 HB3 GLN A 31 7.129 7.830 5.453 1.00 0.32 H new ATOM 0 HG2 GLN A 31 5.325 9.952 4.385 1.00 0.64 H new ATOM 0 HG3 GLN A 31 6.877 10.099 5.186 1.00 0.64 H new ATOM 0 HE21 GLN A 31 5.392 10.710 2.375 1.00 0.79 H new ATOM 0 HE22 GLN A 31 6.732 10.506 1.242 1.00 0.79 H new ATOM 484 N THR A 32 8.440 6.402 3.723 1.00 0.34 N ATOM 485 CA THR A 32 9.528 5.465 3.911 1.00 0.36 C ATOM 486 C THR A 32 9.805 5.278 5.400 1.00 0.41 C ATOM 487 O THR A 32 9.495 6.156 6.214 1.00 0.49 O ATOM 488 CB THR A 32 10.809 5.934 3.201 1.00 0.42 C ATOM 489 OG1 THR A 32 10.922 7.359 3.301 1.00 0.49 O ATOM 490 CG2 THR A 32 10.793 5.525 1.736 1.00 0.49 C ATOM 0 H THR A 32 8.729 7.355 3.501 1.00 0.34 H new ATOM 0 HA THR A 32 9.226 4.515 3.471 1.00 0.36 H new ATOM 0 HB THR A 32 11.665 5.463 3.684 1.00 0.42 H new ATOM 0 HG1 THR A 32 10.937 7.750 2.402 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.708 5.867 1.253 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.727 4.440 1.662 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.932 5.975 1.242 1.00 0.49 H new ATOM 498 N PRO A 33 10.363 4.123 5.782 1.00 0.39 N ATOM 499 CA PRO A 33 10.679 3.819 7.181 1.00 0.46 C ATOM 500 C PRO A 33 11.661 4.821 7.780 1.00 0.56 C ATOM 501 O PRO A 33 12.473 5.407 7.063 1.00 0.60 O ATOM 502 CB PRO A 33 11.325 2.431 7.107 1.00 0.46 C ATOM 503 CG PRO A 33 11.759 2.281 5.689 1.00 0.42 C ATOM 504 CD PRO A 33 10.736 3.019 4.884 1.00 0.35 C ATOM 0 HA PRO A 33 9.794 3.862 7.816 1.00 0.46 H new ATOM 0 HB2 PRO A 33 12.172 2.353 7.789 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.617 1.651 7.387 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.755 2.697 5.536 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.804 1.231 5.400 1.00 0.42 H new ATOM 0 HD2 PRO A 33 11.146 3.383 3.942 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.881 2.389 4.638 1.00 0.35 H new ATOM 512 N SER A 34 11.624 4.972 9.098 1.00 0.66 N ATOM 513 CA SER A 34 12.544 5.859 9.796 1.00 0.80 C ATOM 514 C SER A 34 13.961 5.290 9.759 1.00 0.86 C ATOM 515 O SER A 34 14.944 6.028 9.848 1.00 0.96 O ATOM 516 CB SER A 34 12.073 6.051 11.236 1.00 0.92 C ATOM 517 OG SER A 34 10.696 5.721 11.359 1.00 1.02 O ATOM 0 H SER A 34 10.963 4.489 9.707 1.00 0.66 H new ATOM 0 HA SER A 34 12.558 6.829 9.298 1.00 0.80 H new ATOM 0 HB2 SER A 34 12.664 5.425 11.904 1.00 0.92 H new ATOM 0 HB3 SER A 34 12.234 7.085 11.542 1.00 0.92 H new ATOM 0 HG SER A 34 10.607 4.777 11.608 1.00 1.02 H new ATOM 523 N THR A 35 14.048 3.982 9.540 1.00 0.82 N ATOM 524 CA THR A 35 15.324 3.297 9.392 1.00 0.91 C ATOM 525 C THR A 35 16.022 3.733 8.103 1.00 0.92 C ATOM 526 O THR A 35 17.243 3.646 7.982 1.00 1.11 O ATOM 527 CB THR A 35 15.116 1.772 9.366 1.00 0.89 C ATOM 528 OG1 THR A 35 13.786 1.458 9.809 1.00 0.85 O ATOM 529 CG2 THR A 35 16.139 1.068 10.246 1.00 1.08 C ATOM 0 H THR A 35 13.236 3.369 9.460 1.00 0.82 H new ATOM 0 HA THR A 35 15.949 3.562 10.245 1.00 0.91 H new ATOM 0 HB THR A 35 15.250 1.421 8.343 1.00 0.89 H new ATOM 0 HG1 THR A 35 13.720 0.497 9.992 1.00 0.85 H new ATOM 0 HG21 THR A 35 15.970 -0.008 10.210 1.00 1.08 H new ATOM 0 HG22 THR A 35 17.143 1.290 9.885 1.00 1.08 H new ATOM 0 HG23 THR A 35 16.037 1.417 11.273 1.00 1.08 H new ATOM 537 N TRP A 36 15.239 4.241 7.161 1.00 0.80 N ATOM 538 CA TRP A 36 15.773 4.735 5.907 1.00 0.83 C ATOM 539 C TRP A 36 16.140 6.209 6.036 1.00 1.00 C ATOM 540 O TRP A 36 15.314 7.025 6.452 1.00 1.09 O ATOM 541 CB TRP A 36 14.749 4.543 4.788 1.00 0.74 C ATOM 542 CG TRP A 36 15.370 4.424 3.433 1.00 0.78 C ATOM 543 CD1 TRP A 36 15.477 5.406 2.495 1.00 0.86 C ATOM 544 CD2 TRP A 36 15.976 3.257 2.870 1.00 0.87 C ATOM 545 NE1 TRP A 36 16.116 4.923 1.381 1.00 0.97 N ATOM 546 CE2 TRP A 36 16.432 3.605 1.585 1.00 0.98 C ATOM 547 CE3 TRP A 36 16.180 1.951 3.328 1.00 0.97 C ATOM 548 CZ2 TRP A 36 17.078 2.691 0.753 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.821 1.047 2.502 1.00 1.14 C ATOM 550 CH2 TRP A 36 17.264 1.420 1.228 1.00 1.21 C ATOM 0 H TRP A 36 14.226 4.320 7.246 1.00 0.80 H new ATOM 0 HA TRP A 36 16.672 4.170 5.661 1.00 0.83 H new ATOM 0 HB2 TRP A 36 14.162 3.647 4.991 1.00 0.74 H new ATOM 0 HB3 TRP A 36 14.056 5.385 4.790 1.00 0.74 H new ATOM 0 HD1 TRP A 36 15.113 6.416 2.611 1.00 0.86 H new ATOM 0 HE1 TRP A 36 16.322 5.458 0.538 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.842 1.654 4.310 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 17.420 2.975 -0.231 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 16.983 0.036 2.845 1.00 1.14 H new ATOM 0 HH2 TRP A 36 17.763 0.691 0.607 1.00 1.21 H new ATOM 561 N PRO A 37 17.390 6.572 5.713 1.00 1.20 N ATOM 562 CA PRO A 37 17.863 7.947 5.832 1.00 1.44 C ATOM 563 C PRO A 37 17.341 8.837 4.704 1.00 1.34 C ATOM 564 O PRO A 37 16.311 9.496 4.852 1.00 1.49 O ATOM 565 CB PRO A 37 19.397 7.822 5.776 1.00 1.76 C ATOM 566 CG PRO A 37 19.695 6.356 5.730 1.00 1.78 C ATOM 567 CD PRO A 37 18.450 5.677 5.238 1.00 1.34 C ATOM 0 HA PRO A 37 17.509 8.420 6.748 1.00 1.44 H new ATOM 0 HB2 PRO A 37 19.797 8.328 4.897 1.00 1.76 H new ATOM 0 HB3 PRO A 37 19.857 8.286 6.648 1.00 1.76 H new ATOM 0 HG2 PRO A 37 20.535 6.153 5.066 1.00 1.78 H new ATOM 0 HG3 PRO A 37 19.973 5.987 6.717 1.00 1.78 H new ATOM 0 HD2 PRO A 37 18.443 5.580 4.152 1.00 1.34 H new ATOM 0 HD3 PRO A 37 18.347 4.672 5.648 1.00 1.34 H new ATOM 575 N ASP A 38 18.059 8.871 3.586 1.00 1.33 N ATOM 576 CA ASP A 38 17.678 9.712 2.457 1.00 1.35 C ATOM 577 C ASP A 38 16.777 8.960 1.485 1.00 1.29 C ATOM 578 O ASP A 38 17.212 8.013 0.827 1.00 1.42 O ATOM 579 CB ASP A 38 18.920 10.217 1.728 1.00 1.65 C ATOM 580 CG ASP A 38 18.608 11.354 0.778 1.00 1.90 C ATOM 581 OD1 ASP A 38 18.023 11.097 -0.296 1.00 2.16 O ATOM 582 OD2 ASP A 38 18.933 12.510 1.105 1.00 2.28 O ATOM 0 H ASP A 38 18.908 8.326 3.438 1.00 1.33 H new ATOM 0 HA ASP A 38 17.121 10.563 2.850 1.00 1.35 H new ATOM 0 HB2 ASP A 38 19.657 10.549 2.459 1.00 1.65 H new ATOM 0 HB3 ASP A 38 19.371 9.395 1.172 1.00 1.65 H new ATOM 587 N PRO A 39 15.500 9.358 1.395 1.00 1.31 N ATOM 588 CA PRO A 39 14.526 8.711 0.523 1.00 1.44 C ATOM 589 C PRO A 39 14.423 9.376 -0.850 1.00 1.61 C ATOM 590 O PRO A 39 13.505 9.096 -1.620 1.00 1.84 O ATOM 591 CB PRO A 39 13.231 8.889 1.307 1.00 1.62 C ATOM 592 CG PRO A 39 13.392 10.190 2.028 1.00 1.69 C ATOM 593 CD PRO A 39 14.876 10.435 2.185 1.00 1.44 C ATOM 0 HA PRO A 39 14.785 7.676 0.300 1.00 1.44 H new ATOM 0 HB2 PRO A 39 12.367 8.910 0.643 1.00 1.62 H new ATOM 0 HB3 PRO A 39 13.076 8.067 2.006 1.00 1.62 H new ATOM 0 HG2 PRO A 39 12.926 11.000 1.468 1.00 1.69 H new ATOM 0 HG3 PRO A 39 12.903 10.153 3.002 1.00 1.69 H new ATOM 0 HD2 PRO A 39 15.160 11.419 1.812 1.00 1.44 H new ATOM 0 HD3 PRO A 39 15.180 10.390 3.231 1.00 1.44 H new ATOM 601 N GLU A 40 15.371 10.253 -1.157 1.00 1.57 N ATOM 602 CA GLU A 40 15.385 10.933 -2.444 1.00 1.76 C ATOM 603 C GLU A 40 16.506 10.390 -3.319 1.00 1.76 C ATOM 604 O GLU A 40 16.314 10.129 -4.504 1.00 1.90 O ATOM 605 CB GLU A 40 15.541 12.442 -2.255 1.00 1.90 C ATOM 606 CG GLU A 40 14.217 13.189 -2.154 1.00 2.12 C ATOM 607 CD GLU A 40 13.260 12.882 -3.296 1.00 2.36 C ATOM 608 OE1 GLU A 40 13.693 12.307 -4.318 1.00 2.91 O ATOM 609 OE2 GLU A 40 12.062 13.217 -3.175 1.00 2.63 O ATOM 0 H GLU A 40 16.137 10.509 -0.534 1.00 1.57 H new ATOM 0 HA GLU A 40 14.433 10.746 -2.941 1.00 1.76 H new ATOM 0 HB2 GLU A 40 16.122 12.627 -1.352 1.00 1.90 H new ATOM 0 HB3 GLU A 40 16.113 12.846 -3.090 1.00 1.90 H new ATOM 0 HG2 GLU A 40 13.736 12.935 -1.209 1.00 2.12 H new ATOM 0 HG3 GLU A 40 14.414 14.261 -2.133 1.00 2.12 H new ATOM 616 N SER A 41 17.657 10.154 -2.710 1.00 1.67 N ATOM 617 CA SER A 41 18.788 9.566 -3.412 1.00 1.75 C ATOM 618 C SER A 41 18.558 8.073 -3.624 1.00 1.63 C ATOM 619 O SER A 41 19.152 7.456 -4.507 1.00 1.67 O ATOM 620 CB SER A 41 20.072 9.806 -2.621 1.00 1.82 C ATOM 621 OG SER A 41 20.077 11.107 -2.049 1.00 1.89 O ATOM 0 H SER A 41 17.834 10.361 -1.727 1.00 1.67 H new ATOM 0 HA SER A 41 18.887 10.039 -4.389 1.00 1.75 H new ATOM 0 HB2 SER A 41 20.165 9.058 -1.834 1.00 1.82 H new ATOM 0 HB3 SER A 41 20.935 9.689 -3.276 1.00 1.82 H new ATOM 0 HG SER A 41 20.907 11.240 -1.545 1.00 1.89 H new ATOM 627 N PHE A 42 17.599 7.532 -2.890 1.00 1.51 N ATOM 628 CA PHE A 42 17.179 6.154 -3.068 1.00 1.41 C ATOM 629 C PHE A 42 15.711 6.124 -3.472 1.00 1.27 C ATOM 630 O PHE A 42 14.835 6.400 -2.653 1.00 1.40 O ATOM 631 CB PHE A 42 17.390 5.356 -1.781 1.00 1.58 C ATOM 632 CG PHE A 42 18.823 4.974 -1.534 1.00 2.08 C ATOM 633 CD1 PHE A 42 19.442 4.018 -2.323 1.00 2.54 C ATOM 634 CD2 PHE A 42 19.549 5.568 -0.514 1.00 2.38 C ATOM 635 CE1 PHE A 42 20.757 3.663 -2.101 1.00 3.12 C ATOM 636 CE2 PHE A 42 20.866 5.217 -0.288 1.00 3.01 C ATOM 637 CZ PHE A 42 21.471 4.262 -1.081 1.00 3.32 C ATOM 0 H PHE A 42 17.094 8.033 -2.159 1.00 1.51 H new ATOM 0 HA PHE A 42 17.781 5.696 -3.853 1.00 1.41 H new ATOM 0 HB2 PHE A 42 17.029 5.943 -0.937 1.00 1.58 H new ATOM 0 HB3 PHE A 42 16.784 4.451 -1.822 1.00 1.58 H new ATOM 0 HD1 PHE A 42 18.889 3.545 -3.121 1.00 2.54 H new ATOM 0 HD2 PHE A 42 19.080 6.314 0.111 1.00 2.38 H new ATOM 0 HE1 PHE A 42 21.228 2.917 -2.724 1.00 3.12 H new ATOM 0 HE2 PHE A 42 21.422 5.689 0.508 1.00 3.01 H new ATOM 0 HZ PHE A 42 22.500 3.984 -0.904 1.00 3.32 H new ATOM 647 N PRO A 43 15.439 5.944 -4.775 1.00 1.24 N ATOM 648 CA PRO A 43 14.081 6.026 -5.326 1.00 1.33 C ATOM 649 C PRO A 43 13.118 5.042 -4.672 1.00 1.26 C ATOM 650 O PRO A 43 11.945 5.360 -4.465 1.00 1.97 O ATOM 651 CB PRO A 43 14.258 5.693 -6.816 1.00 1.58 C ATOM 652 CG PRO A 43 15.657 5.183 -6.957 1.00 1.75 C ATOM 653 CD PRO A 43 16.444 5.793 -5.835 1.00 1.40 C ATOM 0 HA PRO A 43 13.644 7.009 -5.149 1.00 1.33 H new ATOM 0 HB2 PRO A 43 13.535 4.944 -7.138 1.00 1.58 H new ATOM 0 HB3 PRO A 43 14.099 6.576 -7.435 1.00 1.58 H new ATOM 0 HG2 PRO A 43 15.681 4.095 -6.902 1.00 1.75 H new ATOM 0 HG3 PRO A 43 16.077 5.463 -7.923 1.00 1.75 H new ATOM 0 HD2 PRO A 43 17.267 5.151 -5.523 1.00 1.40 H new ATOM 0 HD3 PRO A 43 16.878 6.751 -6.120 1.00 1.40 H new ATOM 661 N LEU A 44 13.629 3.855 -4.346 1.00 0.98 N ATOM 662 CA LEU A 44 12.836 2.802 -3.709 1.00 0.82 C ATOM 663 C LEU A 44 11.708 2.322 -4.629 1.00 0.78 C ATOM 664 O LEU A 44 11.581 2.767 -5.771 1.00 0.98 O ATOM 665 CB LEU A 44 12.259 3.288 -2.369 1.00 0.83 C ATOM 666 CG LEU A 44 12.446 2.332 -1.184 1.00 0.70 C ATOM 667 CD1 LEU A 44 13.160 3.028 -0.036 1.00 1.54 C ATOM 668 CD2 LEU A 44 11.101 1.792 -0.718 1.00 1.29 C ATOM 0 H LEU A 44 14.601 3.596 -4.515 1.00 0.98 H new ATOM 0 HA LEU A 44 13.501 1.959 -3.518 1.00 0.82 H new ATOM 0 HB2 LEU A 44 12.721 4.243 -2.119 1.00 0.83 H new ATOM 0 HB3 LEU A 44 11.193 3.474 -2.499 1.00 0.83 H new ATOM 0 HG LEU A 44 13.062 1.497 -1.516 1.00 0.70 H new ATOM 0 HD11 LEU A 44 13.281 2.331 0.793 1.00 1.54 H new ATOM 0 HD12 LEU A 44 14.140 3.369 -0.370 1.00 1.54 H new ATOM 0 HD13 LEU A 44 12.571 3.884 0.293 1.00 1.54 H new ATOM 0 HD21 LEU A 44 11.252 1.115 0.123 1.00 1.29 H new ATOM 0 HD22 LEU A 44 10.464 2.620 -0.408 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.622 1.253 -1.536 1.00 1.29 H new ATOM 680 N LYS A 45 10.945 1.361 -4.141 1.00 0.70 N ATOM 681 CA LYS A 45 9.848 0.771 -4.884 1.00 0.68 C ATOM 682 C LYS A 45 8.746 0.369 -3.913 1.00 0.60 C ATOM 683 O LYS A 45 9.030 -0.037 -2.783 1.00 0.76 O ATOM 684 CB LYS A 45 10.329 -0.452 -5.669 1.00 0.78 C ATOM 685 CG LYS A 45 9.541 -0.708 -6.943 1.00 1.13 C ATOM 686 CD LYS A 45 10.280 -0.191 -8.163 1.00 1.25 C ATOM 687 CE LYS A 45 9.428 -0.297 -9.415 1.00 1.41 C ATOM 688 NZ LYS A 45 9.919 -1.362 -10.325 1.00 1.75 N ATOM 0 H LYS A 45 11.071 0.965 -3.209 1.00 0.70 H new ATOM 0 HA LYS A 45 9.461 1.502 -5.594 1.00 0.68 H new ATOM 0 HB2 LYS A 45 11.381 -0.319 -5.923 1.00 0.78 H new ATOM 0 HB3 LYS A 45 10.264 -1.332 -5.029 1.00 0.78 H new ATOM 0 HG2 LYS A 45 9.359 -1.777 -7.052 1.00 1.13 H new ATOM 0 HG3 LYS A 45 8.567 -0.224 -6.874 1.00 1.13 H new ATOM 0 HD2 LYS A 45 10.566 0.849 -8.003 1.00 1.25 H new ATOM 0 HD3 LYS A 45 11.201 -0.758 -8.299 1.00 1.25 H new ATOM 0 HE2 LYS A 45 8.395 -0.505 -9.136 1.00 1.41 H new ATOM 0 HE3 LYS A 45 9.430 0.659 -9.939 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 9.998 -0.984 -11.291 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 10.852 -1.690 -10.004 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 9.251 -2.159 -10.319 1.00 1.75 H new ATOM 702 N PHE A 46 7.500 0.512 -4.331 1.00 0.46 N ATOM 703 CA PHE A 46 6.374 0.203 -3.463 1.00 0.41 C ATOM 704 C PHE A 46 5.329 -0.615 -4.208 1.00 0.44 C ATOM 705 O PHE A 46 4.804 -0.175 -5.224 1.00 0.58 O ATOM 706 CB PHE A 46 5.733 1.495 -2.942 1.00 0.42 C ATOM 707 CG PHE A 46 6.468 2.123 -1.791 1.00 0.37 C ATOM 708 CD1 PHE A 46 6.397 1.569 -0.521 1.00 0.41 C ATOM 709 CD2 PHE A 46 7.236 3.262 -1.977 1.00 0.45 C ATOM 710 CE1 PHE A 46 7.078 2.139 0.537 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.920 3.834 -0.922 1.00 0.48 C ATOM 712 CZ PHE A 46 7.817 3.295 0.339 1.00 0.47 C ATOM 0 H PHE A 46 7.242 0.839 -5.262 1.00 0.46 H new ATOM 0 HA PHE A 46 6.747 -0.381 -2.621 1.00 0.41 H new ATOM 0 HB2 PHE A 46 5.676 2.215 -3.759 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.710 1.281 -2.633 1.00 0.42 H new ATOM 0 HD1 PHE A 46 5.803 0.682 -0.358 1.00 0.41 H new ATOM 0 HD2 PHE A 46 7.300 3.708 -2.959 1.00 0.45 H new ATOM 0 HE1 PHE A 46 7.035 1.685 1.516 1.00 0.47 H new ATOM 0 HE2 PHE A 46 8.536 4.705 -1.088 1.00 0.48 H new ATOM 0 HZ PHE A 46 8.311 3.771 1.173 1.00 0.47 H new ATOM 722 N PHE A 47 4.950 -1.749 -3.647 1.00 0.40 N ATOM 723 CA PHE A 47 3.868 -2.543 -4.215 1.00 0.44 C ATOM 724 C PHE A 47 2.723 -2.607 -3.229 1.00 0.39 C ATOM 725 O PHE A 47 2.900 -2.294 -2.049 1.00 0.59 O ATOM 726 CB PHE A 47 4.322 -3.957 -4.572 1.00 0.55 C ATOM 727 CG PHE A 47 5.811 -4.125 -4.654 1.00 0.53 C ATOM 728 CD1 PHE A 47 6.509 -3.685 -5.766 1.00 0.60 C ATOM 729 CD2 PHE A 47 6.511 -4.714 -3.617 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.877 -3.834 -5.841 1.00 0.68 C ATOM 731 CE2 PHE A 47 7.880 -4.865 -3.685 1.00 0.75 C ATOM 732 CZ PHE A 47 8.560 -4.445 -4.813 1.00 0.73 C ATOM 0 H PHE A 47 5.370 -2.141 -2.804 1.00 0.40 H new ATOM 0 HA PHE A 47 3.545 -2.060 -5.137 1.00 0.44 H new ATOM 0 HB2 PHE A 47 3.930 -4.651 -3.828 1.00 0.55 H new ATOM 0 HB3 PHE A 47 3.883 -4.236 -5.530 1.00 0.55 H new ATOM 0 HD1 PHE A 47 5.976 -3.221 -6.583 1.00 0.60 H new ATOM 0 HD2 PHE A 47 5.979 -5.060 -2.743 1.00 0.65 H new ATOM 0 HE1 PHE A 47 8.413 -3.472 -6.706 1.00 0.68 H new ATOM 0 HE2 PHE A 47 8.418 -5.309 -2.861 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.627 -4.596 -4.888 1.00 0.73 H new ATOM 742 N LEU A 48 1.538 -2.951 -3.707 1.00 0.33 N ATOM 743 CA LEU A 48 0.377 -2.942 -2.849 1.00 0.35 C ATOM 744 C LEU A 48 -0.586 -4.055 -3.210 1.00 0.35 C ATOM 745 O LEU A 48 -0.553 -4.578 -4.321 1.00 0.57 O ATOM 746 CB LEU A 48 -0.326 -1.590 -2.973 1.00 0.44 C ATOM 747 CG LEU A 48 -1.188 -1.188 -1.782 1.00 0.72 C ATOM 748 CD1 LEU A 48 -0.621 0.053 -1.115 1.00 1.02 C ATOM 749 CD2 LEU A 48 -2.623 -0.954 -2.224 1.00 1.05 C ATOM 0 H LEU A 48 1.361 -3.235 -4.671 1.00 0.33 H new ATOM 0 HA LEU A 48 0.704 -3.103 -1.822 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.430 -0.820 -3.129 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.953 -1.606 -3.864 1.00 0.44 H new ATOM 0 HG LEU A 48 -1.182 -2.000 -1.055 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -1.247 0.328 -0.266 1.00 1.02 H new ATOM 0 HD12 LEU A 48 0.392 -0.151 -0.768 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -0.600 0.874 -1.832 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.227 -0.668 -1.363 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.649 -0.157 -2.967 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -3.023 -1.869 -2.660 1.00 1.05 H new ATOM 761 N ARG A 49 -1.510 -4.316 -2.297 1.00 0.26 N ATOM 762 CA ARG A 49 -2.630 -5.212 -2.530 1.00 0.27 C ATOM 763 C ARG A 49 -3.720 -4.876 -1.529 1.00 0.24 C ATOM 764 O ARG A 49 -3.418 -4.396 -0.441 1.00 0.30 O ATOM 765 CB ARG A 49 -2.238 -6.690 -2.392 1.00 0.34 C ATOM 766 CG ARG A 49 -1.038 -6.958 -1.504 1.00 0.44 C ATOM 767 CD ARG A 49 -0.041 -7.871 -2.204 1.00 0.75 C ATOM 768 NE ARG A 49 0.027 -9.198 -1.591 1.00 1.07 N ATOM 769 CZ ARG A 49 0.368 -10.308 -2.251 1.00 1.28 C ATOM 770 NH1 ARG A 49 0.668 -10.254 -3.543 1.00 1.64 N ATOM 771 NH2 ARG A 49 0.416 -11.470 -1.613 1.00 2.02 N ATOM 0 H ARG A 49 -1.502 -3.906 -1.363 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.976 -5.072 -3.554 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -3.092 -7.241 -1.998 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -2.032 -7.089 -3.385 1.00 0.34 H new ATOM 0 HG2 ARG A 49 -0.555 -6.016 -1.244 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -1.365 -7.417 -0.571 1.00 0.44 H new ATOM 0 HD2 ARG A 49 -0.320 -7.972 -3.253 1.00 0.75 H new ATOM 0 HD3 ARG A 49 0.947 -7.412 -2.180 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.200 -9.280 -0.600 1.00 1.07 H new ATOM 0 HH11 ARG A 49 0.639 -9.362 -4.036 1.00 1.64 H new ATOM 0 HH12 ARG A 49 0.928 -11.105 -4.042 1.00 1.64 H new ATOM 0 HH21 ARG A 49 0.193 -11.516 -0.619 1.00 2.02 H new ATOM 0 HH22 ARG A 49 0.676 -12.318 -2.117 1.00 2.02 H new ATOM 785 N TYR A 50 -4.975 -5.084 -1.897 1.00 0.26 N ATOM 786 CA TYR A 50 -6.079 -4.780 -0.994 1.00 0.27 C ATOM 787 C TYR A 50 -7.123 -5.887 -1.017 1.00 0.28 C ATOM 788 O TYR A 50 -7.802 -6.106 -2.018 1.00 0.36 O ATOM 789 CB TYR A 50 -6.717 -3.428 -1.330 1.00 0.35 C ATOM 790 CG TYR A 50 -6.771 -3.101 -2.807 1.00 0.49 C ATOM 791 CD1 TYR A 50 -7.842 -3.508 -3.589 1.00 0.60 C ATOM 792 CD2 TYR A 50 -5.759 -2.369 -3.414 1.00 0.70 C ATOM 793 CE1 TYR A 50 -7.904 -3.199 -4.930 1.00 0.79 C ATOM 794 CE2 TYR A 50 -5.817 -2.060 -4.753 1.00 0.90 C ATOM 795 CZ TYR A 50 -6.889 -2.474 -5.506 1.00 0.90 C ATOM 796 OH TYR A 50 -6.945 -2.160 -6.841 1.00 1.13 O ATOM 0 H TYR A 50 -5.255 -5.458 -2.804 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.671 -4.717 0.015 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.731 -3.412 -0.931 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -6.161 -2.642 -0.818 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -8.642 -4.077 -3.138 1.00 0.60 H new ATOM 0 HD2 TYR A 50 -4.915 -2.038 -2.827 1.00 0.70 H new ATOM 0 HE1 TYR A 50 -8.745 -3.524 -5.525 1.00 0.79 H new ATOM 0 HE2 TYR A 50 -5.021 -1.493 -5.212 1.00 0.90 H new ATOM 0 HH TYR A 50 -6.045 -1.945 -7.164 1.00 1.13 H new ATOM 806 N ARG A 51 -7.174 -6.642 0.064 1.00 0.29 N ATOM 807 CA ARG A 51 -8.084 -7.766 0.177 1.00 0.34 C ATOM 808 C ARG A 51 -9.404 -7.347 0.819 1.00 0.29 C ATOM 809 O ARG A 51 -9.428 -6.896 1.964 1.00 0.33 O ATOM 810 CB ARG A 51 -7.433 -8.888 0.993 1.00 0.46 C ATOM 811 CG ARG A 51 -8.373 -10.033 1.343 1.00 0.64 C ATOM 812 CD ARG A 51 -8.611 -10.122 2.845 1.00 1.25 C ATOM 813 NE ARG A 51 -7.481 -10.735 3.536 1.00 1.72 N ATOM 814 CZ ARG A 51 -7.220 -12.038 3.516 1.00 2.29 C ATOM 815 NH1 ARG A 51 -8.091 -12.881 2.970 1.00 2.62 N ATOM 816 NH2 ARG A 51 -6.113 -12.497 4.082 1.00 3.10 N ATOM 0 H ARG A 51 -6.588 -6.494 0.886 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.299 -8.130 -0.828 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.587 -9.286 0.432 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -7.034 -8.466 1.915 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -9.325 -9.893 0.831 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -7.953 -10.973 0.984 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -8.784 -9.123 3.246 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -9.513 -10.703 3.037 1.00 1.25 H new ATOM 0 HE ARG A 51 -6.855 -10.128 4.065 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -8.959 -12.528 2.567 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -7.891 -13.881 2.954 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -5.464 -11.851 4.531 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -5.910 -13.496 4.068 1.00 3.10 H new ATOM 830 N PRO A 52 -10.527 -7.576 0.129 1.00 0.32 N ATOM 831 CA PRO A 52 -11.851 -7.355 0.699 1.00 0.38 C ATOM 832 C PRO A 52 -12.204 -8.458 1.693 1.00 0.44 C ATOM 833 O PRO A 52 -11.825 -9.616 1.496 1.00 0.51 O ATOM 834 CB PRO A 52 -12.770 -7.422 -0.518 1.00 0.52 C ATOM 835 CG PRO A 52 -12.073 -8.332 -1.470 1.00 0.65 C ATOM 836 CD PRO A 52 -10.596 -8.146 -1.229 1.00 0.45 C ATOM 0 HA PRO A 52 -11.927 -6.416 1.248 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.754 -7.807 -0.250 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -12.922 -6.435 -0.954 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -12.367 -9.368 -1.303 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -12.332 -8.089 -2.500 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -10.059 -9.092 -1.293 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -10.152 -7.477 -1.966 1.00 0.45 H new ATOM 844 N LEU A 53 -12.867 -8.099 2.786 1.00 0.50 N ATOM 845 CA LEU A 53 -13.203 -9.069 3.832 1.00 0.65 C ATOM 846 C LEU A 53 -14.328 -10.009 3.389 1.00 0.81 C ATOM 847 O LEU A 53 -15.348 -10.154 4.068 1.00 1.22 O ATOM 848 CB LEU A 53 -13.591 -8.347 5.122 1.00 0.70 C ATOM 849 CG LEU A 53 -12.604 -8.526 6.275 1.00 0.82 C ATOM 850 CD1 LEU A 53 -11.362 -7.679 6.048 1.00 1.32 C ATOM 851 CD2 LEU A 53 -13.262 -8.172 7.597 1.00 1.40 C ATOM 0 H LEU A 53 -13.183 -7.148 2.975 1.00 0.50 H new ATOM 0 HA LEU A 53 -12.317 -9.676 4.017 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -13.692 -7.283 4.910 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -14.570 -8.703 5.441 1.00 0.70 H new ATOM 0 HG LEU A 53 -12.302 -9.573 6.313 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -10.670 -7.818 6.878 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -10.880 -7.982 5.119 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -11.645 -6.628 5.984 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -12.545 -8.305 8.407 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -13.593 -7.134 7.572 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -14.121 -8.823 7.762 1.00 1.40 H new ATOM 863 N ILE A 54 -14.099 -10.680 2.272 1.00 0.85 N ATOM 864 CA ILE A 54 -15.027 -11.656 1.725 1.00 1.01 C ATOM 865 C ILE A 54 -14.260 -12.694 0.924 1.00 1.08 C ATOM 866 O ILE A 54 -14.559 -13.884 0.977 1.00 1.34 O ATOM 867 CB ILE A 54 -16.079 -11.012 0.796 1.00 1.16 C ATOM 868 CG1 ILE A 54 -15.501 -9.781 0.092 1.00 1.12 C ATOM 869 CG2 ILE A 54 -17.336 -10.652 1.571 1.00 1.27 C ATOM 870 CD1 ILE A 54 -16.046 -9.564 -1.303 1.00 1.46 C ATOM 0 H ILE A 54 -13.254 -10.561 1.713 1.00 0.85 H new ATOM 0 HA ILE A 54 -15.545 -12.110 2.569 1.00 1.01 H new ATOM 0 HB ILE A 54 -16.350 -11.742 0.033 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -15.710 -8.897 0.695 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -14.417 -9.881 0.037 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -18.063 -10.200 0.896 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -17.762 -11.553 2.012 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -17.086 -9.944 2.362 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -15.590 -8.674 -1.737 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -15.814 -10.430 -1.923 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -17.127 -9.431 -1.255 1.00 1.46 H new ATOM 882 N LEU A 55 -13.256 -12.228 0.192 1.00 0.95 N ATOM 883 CA LEU A 55 -12.439 -13.099 -0.637 1.00 1.10 C ATOM 884 C LEU A 55 -10.965 -12.899 -0.321 1.00 1.12 C ATOM 885 O LEU A 55 -10.539 -11.789 -0.001 1.00 1.51 O ATOM 886 CB LEU A 55 -12.689 -12.808 -2.118 1.00 1.25 C ATOM 887 CG LEU A 55 -13.605 -13.801 -2.833 1.00 1.48 C ATOM 888 CD1 LEU A 55 -15.043 -13.313 -2.806 1.00 1.69 C ATOM 889 CD2 LEU A 55 -13.140 -14.012 -4.265 1.00 2.11 C ATOM 0 H LEU A 55 -12.988 -11.244 0.157 1.00 0.95 H new ATOM 0 HA LEU A 55 -12.713 -14.132 -0.424 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -13.121 -11.811 -2.208 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -11.729 -12.787 -2.634 1.00 1.25 H new ATOM 0 HG LEU A 55 -13.557 -14.756 -2.309 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -15.681 -14.032 -3.320 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -15.373 -13.209 -1.772 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -15.109 -12.347 -3.307 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -13.802 -14.722 -4.762 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -13.161 -13.062 -4.798 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -12.123 -14.404 -4.263 1.00 2.11 H new ATOM 901 N ASP A 56 -10.181 -13.954 -0.478 1.00 1.38 N ATOM 902 CA ASP A 56 -8.739 -13.882 -0.265 1.00 1.54 C ATOM 903 C ASP A 56 -8.059 -13.303 -1.500 1.00 1.19 C ATOM 904 O ASP A 56 -7.284 -13.979 -2.181 1.00 1.44 O ATOM 905 CB ASP A 56 -8.172 -15.270 0.051 1.00 2.08 C ATOM 906 CG ASP A 56 -7.068 -15.235 1.093 1.00 2.58 C ATOM 907 OD1 ASP A 56 -5.891 -15.065 0.710 1.00 2.90 O ATOM 908 OD2 ASP A 56 -7.366 -15.367 2.298 1.00 2.89 O ATOM 0 H ASP A 56 -10.519 -14.876 -0.754 1.00 1.38 H new ATOM 0 HA ASP A 56 -8.544 -13.229 0.586 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -8.977 -15.914 0.404 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -7.786 -15.716 -0.865 1.00 2.08 H new ATOM 913 N GLN A 57 -8.451 -12.089 -1.848 1.00 0.83 N ATOM 914 CA GLN A 57 -7.979 -11.445 -3.063 1.00 0.93 C ATOM 915 C GLN A 57 -6.835 -10.488 -2.765 1.00 0.79 C ATOM 916 O GLN A 57 -7.025 -9.272 -2.697 1.00 0.82 O ATOM 917 CB GLN A 57 -9.126 -10.695 -3.740 1.00 1.30 C ATOM 918 CG GLN A 57 -9.928 -11.552 -4.705 1.00 1.81 C ATOM 919 CD GLN A 57 -9.479 -11.382 -6.143 1.00 2.19 C ATOM 920 OE1 GLN A 57 -8.285 -11.414 -6.444 1.00 2.89 O ATOM 921 NE2 GLN A 57 -10.432 -11.193 -7.039 1.00 2.43 N ATOM 0 H GLN A 57 -9.101 -11.525 -1.301 1.00 0.83 H new ATOM 0 HA GLN A 57 -7.610 -12.219 -3.736 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -9.795 -10.303 -2.974 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -8.721 -9.838 -4.279 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -9.834 -12.600 -4.420 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -10.984 -11.293 -4.624 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -11.409 -11.173 -6.748 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -10.190 -11.067 -8.022 1.00 2.43 H new ATOM 930 N TRP A 58 -5.639 -11.037 -2.635 1.00 0.73 N ATOM 931 CA TRP A 58 -4.457 -10.230 -2.422 1.00 0.63 C ATOM 932 C TRP A 58 -3.938 -9.735 -3.749 1.00 0.67 C ATOM 933 O TRP A 58 -3.457 -10.524 -4.562 1.00 0.76 O ATOM 934 CB TRP A 58 -3.388 -11.032 -1.678 1.00 0.71 C ATOM 935 CG TRP A 58 -3.443 -10.796 -0.208 1.00 0.70 C ATOM 936 CD1 TRP A 58 -3.287 -11.708 0.796 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.697 -9.547 0.416 1.00 0.57 C ATOM 938 NE1 TRP A 58 -3.431 -11.086 2.014 1.00 0.84 N ATOM 939 CE2 TRP A 58 -3.681 -9.754 1.803 1.00 0.67 C ATOM 940 CE3 TRP A 58 -3.933 -8.266 -0.073 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.898 -8.717 2.703 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.147 -7.246 0.812 1.00 0.39 C ATOM 943 CH2 TRP A 58 -4.128 -7.472 2.182 1.00 0.49 C ATOM 0 H TRP A 58 -5.464 -12.041 -2.674 1.00 0.73 H new ATOM 0 HA TRP A 58 -4.715 -9.369 -1.805 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -3.524 -12.094 -1.881 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.402 -10.759 -2.053 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -3.082 -12.759 0.655 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -3.363 -11.540 2.925 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -3.947 -8.080 -1.137 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -3.886 -8.887 3.770 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.334 -6.249 0.440 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -4.299 -6.644 2.854 1.00 0.49 H new ATOM 954 N GLN A 59 -4.187 -8.460 -4.038 1.00 0.70 N ATOM 955 CA GLN A 59 -3.884 -7.941 -5.365 1.00 0.79 C ATOM 956 C GLN A 59 -3.909 -6.421 -5.450 1.00 0.95 C ATOM 957 O GLN A 59 -4.814 -5.765 -4.927 1.00 1.64 O ATOM 958 CB GLN A 59 -4.875 -8.500 -6.394 1.00 1.06 C ATOM 959 CG GLN A 59 -6.261 -8.799 -5.840 1.00 1.36 C ATOM 960 CD GLN A 59 -7.198 -7.606 -5.899 1.00 1.68 C ATOM 961 OE1 GLN A 59 -7.377 -6.992 -6.949 1.00 2.39 O ATOM 962 NE2 GLN A 59 -7.802 -7.275 -4.769 1.00 2.14 N ATOM 0 H GLN A 59 -4.588 -7.783 -3.388 1.00 0.70 H new ATOM 0 HA GLN A 59 -2.866 -8.266 -5.581 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -4.971 -7.786 -7.212 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -4.462 -9.416 -6.817 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -6.699 -9.625 -6.400 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -6.168 -9.129 -4.805 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -7.625 -7.812 -3.920 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -8.445 -6.483 -4.747 1.00 2.14 H new ATOM 971 N HIS A 60 -3.031 -5.917 -6.304 1.00 0.80 N ATOM 972 CA HIS A 60 -3.074 -4.543 -6.771 1.00 1.11 C ATOM 973 C HIS A 60 -2.078 -4.345 -7.906 1.00 0.88 C ATOM 974 O HIS A 60 -2.425 -4.509 -9.076 1.00 1.12 O ATOM 975 CB HIS A 60 -2.827 -3.510 -5.668 1.00 1.75 C ATOM 976 CG HIS A 60 -2.859 -2.094 -6.176 1.00 1.87 C ATOM 977 ND1 HIS A 60 -3.814 -1.635 -7.053 1.00 2.49 N ATOM 978 CD2 HIS A 60 -2.028 -1.049 -5.951 1.00 2.11 C ATOM 979 CE1 HIS A 60 -3.574 -0.376 -7.344 1.00 2.81 C ATOM 980 NE2 HIS A 60 -2.492 0.012 -6.692 1.00 2.58 N ATOM 0 H HIS A 60 -2.260 -6.458 -6.696 1.00 0.80 H new ATOM 0 HA HIS A 60 -4.090 -4.373 -7.128 1.00 1.11 H new ATOM 0 HB2 HIS A 60 -3.581 -3.629 -4.890 1.00 1.75 H new ATOM 0 HB3 HIS A 60 -1.859 -3.703 -5.206 1.00 1.75 H new ATOM 0 HD2 HIS A 60 -1.160 -1.049 -5.308 1.00 2.11 H new ATOM 0 HE1 HIS A 60 -4.164 0.240 -8.007 1.00 2.81 H new ATOM 0 HE2 HIS A 60 -2.072 0.941 -6.732 1.00 2.58 H new ATOM 989 N VAL A 61 -0.868 -3.918 -7.565 1.00 0.60 N ATOM 990 CA VAL A 61 0.113 -3.561 -8.572 1.00 0.59 C ATOM 991 C VAL A 61 1.479 -3.294 -7.944 1.00 0.51 C ATOM 992 O VAL A 61 1.574 -3.004 -6.745 1.00 0.55 O ATOM 993 CB VAL A 61 -0.360 -2.304 -9.340 1.00 0.87 C ATOM 994 CG1 VAL A 61 0.110 -1.032 -8.654 1.00 1.32 C ATOM 995 CG2 VAL A 61 0.096 -2.334 -10.788 1.00 1.48 C ATOM 0 H VAL A 61 -0.547 -3.812 -6.602 1.00 0.60 H new ATOM 0 HA VAL A 61 0.212 -4.400 -9.261 1.00 0.59 H new ATOM 0 HB VAL A 61 -1.450 -2.310 -9.333 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -0.238 -0.165 -9.217 1.00 1.32 H new ATOM 0 HG12 VAL A 61 -0.294 -0.994 -7.642 1.00 1.32 H new ATOM 0 HG13 VAL A 61 1.199 -1.023 -8.610 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -0.253 -1.436 -11.298 1.00 1.48 H new ATOM 0 HG22 VAL A 61 1.185 -2.372 -10.826 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -0.315 -3.215 -11.281 1.00 1.48 H new ATOM 1005 N GLU A 62 2.492 -3.235 -8.794 1.00 0.81 N ATOM 1006 CA GLU A 62 3.820 -2.815 -8.386 1.00 1.05 C ATOM 1007 C GLU A 62 4.037 -1.372 -8.835 1.00 0.71 C ATOM 1008 O GLU A 62 4.066 -1.084 -10.034 1.00 0.80 O ATOM 1009 CB GLU A 62 4.877 -3.747 -8.996 1.00 1.61 C ATOM 1010 CG GLU A 62 6.269 -3.138 -9.109 1.00 2.42 C ATOM 1011 CD GLU A 62 7.101 -3.783 -10.200 1.00 3.17 C ATOM 1012 OE1 GLU A 62 6.535 -4.527 -11.030 1.00 3.60 O ATOM 1013 OE2 GLU A 62 8.327 -3.543 -10.240 1.00 3.63 O ATOM 0 H GLU A 62 2.416 -3.476 -9.782 1.00 0.81 H new ATOM 0 HA GLU A 62 3.914 -2.869 -7.301 1.00 1.05 H new ATOM 0 HB2 GLU A 62 4.938 -4.651 -8.390 1.00 1.61 H new ATOM 0 HB3 GLU A 62 4.546 -4.050 -9.989 1.00 1.61 H new ATOM 0 HG2 GLU A 62 6.179 -2.070 -9.309 1.00 2.42 H new ATOM 0 HG3 GLU A 62 6.785 -3.241 -8.155 1.00 2.42 H new ATOM 1020 N LEU A 63 4.102 -0.460 -7.875 1.00 0.61 N ATOM 1021 CA LEU A 63 4.268 0.955 -8.175 1.00 0.71 C ATOM 1022 C LEU A 63 5.747 1.309 -8.225 1.00 0.75 C ATOM 1023 O LEU A 63 6.567 0.685 -7.548 1.00 0.94 O ATOM 1024 CB LEU A 63 3.564 1.824 -7.124 1.00 0.97 C ATOM 1025 CG LEU A 63 2.044 1.661 -7.043 1.00 0.92 C ATOM 1026 CD1 LEU A 63 1.649 0.903 -5.784 1.00 1.33 C ATOM 1027 CD2 LEU A 63 1.366 3.021 -7.076 1.00 1.18 C ATOM 0 H LEU A 63 4.042 -0.676 -6.880 1.00 0.61 H new ATOM 0 HA LEU A 63 3.816 1.151 -9.147 1.00 0.71 H new ATOM 0 HB2 LEU A 63 3.989 1.596 -6.146 1.00 0.97 H new ATOM 0 HB3 LEU A 63 3.789 2.870 -7.333 1.00 0.97 H new ATOM 0 HG LEU A 63 1.714 1.084 -7.907 1.00 0.92 H new ATOM 0 HD11 LEU A 63 0.565 0.799 -5.747 1.00 1.33 H new ATOM 0 HD12 LEU A 63 2.108 -0.085 -5.795 1.00 1.33 H new ATOM 0 HD13 LEU A 63 1.991 1.452 -4.907 1.00 1.33 H new ATOM 0 HD21 LEU A 63 0.285 2.890 -7.018 1.00 1.18 H new ATOM 0 HD22 LEU A 63 1.706 3.617 -6.229 1.00 1.18 H new ATOM 0 HD23 LEU A 63 1.620 3.532 -8.005 1.00 1.18 H new ATOM 1039 N SER A 64 6.081 2.286 -9.052 1.00 0.78 N ATOM 1040 CA SER A 64 7.458 2.710 -9.221 1.00 0.89 C ATOM 1041 C SER A 64 8.024 3.272 -7.917 1.00 0.82 C ATOM 1042 O SER A 64 9.023 2.774 -7.400 1.00 1.57 O ATOM 1043 CB SER A 64 7.527 3.752 -10.335 1.00 1.13 C ATOM 1044 OG SER A 64 6.361 3.688 -11.147 1.00 1.36 O ATOM 0 H SER A 64 5.410 2.803 -9.620 1.00 0.78 H new ATOM 0 HA SER A 64 8.066 1.847 -9.494 1.00 0.89 H new ATOM 0 HB2 SER A 64 7.623 4.749 -9.904 1.00 1.13 H new ATOM 0 HB3 SER A 64 8.413 3.582 -10.946 1.00 1.13 H new ATOM 0 HG SER A 64 6.418 4.363 -11.856 1.00 1.36 H new ATOM 1050 N ASN A 65 7.350 4.277 -7.366 1.00 1.03 N ATOM 1051 CA ASN A 65 7.764 4.887 -6.103 1.00 0.94 C ATOM 1052 C ASN A 65 6.675 5.814 -5.577 1.00 0.82 C ATOM 1053 O ASN A 65 6.938 6.969 -5.237 1.00 1.16 O ATOM 1054 CB ASN A 65 9.078 5.667 -6.264 1.00 1.03 C ATOM 1055 CG ASN A 65 9.169 6.422 -7.579 1.00 1.41 C ATOM 1056 OD1 ASN A 65 8.342 7.285 -7.881 1.00 2.04 O ATOM 1057 ND2 ASN A 65 10.182 6.103 -8.371 1.00 1.97 N ATOM 0 H ASN A 65 6.511 4.689 -7.775 1.00 1.03 H new ATOM 0 HA ASN A 65 7.928 4.083 -5.386 1.00 0.94 H new ATOM 0 HB2 ASN A 65 9.177 6.373 -5.440 1.00 1.03 H new ATOM 0 HB3 ASN A 65 9.916 4.973 -6.192 1.00 1.03 H new ATOM 0 HD21 ASN A 65 10.298 6.577 -9.266 1.00 1.97 H new ATOM 0 HD22 ASN A 65 10.846 5.383 -8.085 1.00 1.97 H new ATOM 1064 N GLY A 66 5.447 5.309 -5.540 1.00 0.69 N ATOM 1065 CA GLY A 66 4.329 6.104 -5.070 1.00 0.66 C ATOM 1066 C GLY A 66 4.402 6.374 -3.583 1.00 0.61 C ATOM 1067 O GLY A 66 5.135 5.697 -2.860 1.00 0.87 O ATOM 0 H GLY A 66 5.206 4.361 -5.828 1.00 0.69 H new ATOM 0 HA2 GLY A 66 4.308 7.051 -5.609 1.00 0.66 H new ATOM 0 HA3 GLY A 66 3.397 5.587 -5.298 1.00 0.66 H new ATOM 1071 N THR A 67 3.666 7.378 -3.127 1.00 0.40 N ATOM 1072 CA THR A 67 3.658 7.732 -1.713 1.00 0.41 C ATOM 1073 C THR A 67 2.239 8.027 -1.218 1.00 0.36 C ATOM 1074 O THR A 67 1.966 7.989 -0.017 1.00 0.39 O ATOM 1075 CB THR A 67 4.559 8.953 -1.438 1.00 0.57 C ATOM 1076 OG1 THR A 67 5.002 9.530 -2.677 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.766 8.551 -0.604 1.00 0.70 C ATOM 0 H THR A 67 3.068 7.961 -3.713 1.00 0.40 H new ATOM 0 HA THR A 67 4.049 6.872 -1.169 1.00 0.41 H new ATOM 0 HB THR A 67 3.977 9.689 -0.884 1.00 0.57 H new ATOM 0 HG1 THR A 67 5.572 10.305 -2.491 1.00 0.63 H new ATOM 0 HG21 THR A 67 6.389 9.426 -0.421 1.00 0.70 H new ATOM 0 HG22 THR A 67 5.430 8.139 0.348 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.345 7.799 -1.140 1.00 0.70 H new ATOM 1085 N ALA A 68 1.335 8.292 -2.151 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.051 8.585 -1.820 1.00 0.47 C ATOM 1087 C ALA A 68 -0.962 8.117 -2.942 1.00 0.47 C ATOM 1088 O ALA A 68 -1.304 8.887 -3.841 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.233 10.074 -1.577 1.00 0.59 C ATOM 0 H ALA A 68 1.540 8.310 -3.150 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.315 8.052 -0.907 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.275 10.278 -1.330 1.00 0.59 H new ATOM 0 HB2 ALA A 68 0.404 10.388 -0.750 1.00 0.59 H new ATOM 0 HB3 ALA A 68 0.042 10.626 -2.476 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.300 6.840 -2.928 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.132 6.270 -3.980 1.00 0.45 C ATOM 1097 C HIS A 69 -3.606 6.314 -3.601 1.00 0.40 C ATOM 1098 O HIS A 69 -3.961 6.120 -2.446 1.00 0.80 O ATOM 1099 CB HIS A 69 -1.716 4.830 -4.288 1.00 0.52 C ATOM 1100 CG HIS A 69 -2.281 4.312 -5.578 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -1.859 4.749 -6.812 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -3.255 3.404 -5.816 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -2.548 4.135 -7.754 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -3.404 3.313 -7.177 1.00 0.75 N ATOM 0 H HIS A 69 -1.015 6.179 -2.206 1.00 0.43 H new ATOM 0 HA HIS A 69 -1.986 6.876 -4.874 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -0.628 4.774 -4.327 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.039 4.183 -3.472 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -3.812 2.853 -5.073 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -2.431 4.280 -8.818 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -4.067 2.709 -7.663 1.00 0.75 H new ATOM 1113 N THR A 70 -4.459 6.437 -4.598 1.00 0.41 N ATOM 1114 CA THR A 70 -5.893 6.371 -4.388 1.00 0.44 C ATOM 1115 C THR A 70 -6.482 5.212 -5.183 1.00 0.47 C ATOM 1116 O THR A 70 -6.231 5.082 -6.383 1.00 0.72 O ATOM 1117 CB THR A 70 -6.580 7.686 -4.803 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.632 8.763 -4.770 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.745 8.003 -3.880 1.00 0.84 C ATOM 0 H THR A 70 -4.182 6.584 -5.569 1.00 0.41 H new ATOM 0 HA THR A 70 -6.070 6.214 -3.324 1.00 0.44 H new ATOM 0 HB THR A 70 -6.963 7.567 -5.817 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.597 9.141 -3.866 1.00 0.94 H new ATOM 0 HG21 THR A 70 -8.214 8.936 -4.193 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.476 7.196 -3.926 1.00 0.84 H new ATOM 0 HG23 THR A 70 -7.382 8.105 -2.857 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.210 4.339 -4.508 1.00 0.36 N ATOM 1128 CA ILE A 71 -7.811 3.185 -5.163 1.00 0.44 C ATOM 1129 C ILE A 71 -9.325 3.276 -5.110 1.00 0.34 C ATOM 1130 O ILE A 71 -9.894 3.616 -4.080 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.369 1.851 -4.521 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -7.188 2.008 -3.010 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -6.085 1.359 -5.165 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -7.452 0.736 -2.234 1.00 0.70 C ATOM 0 H ILE A 71 -7.400 4.405 -3.508 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.467 3.198 -6.197 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.151 1.111 -4.692 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -6.171 2.343 -2.807 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -7.859 2.789 -2.651 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -5.784 0.418 -4.704 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -6.249 1.204 -6.231 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -5.299 2.101 -5.023 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -7.305 0.922 -1.170 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -8.478 0.411 -2.407 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -6.764 -0.042 -2.565 1.00 0.70 H new ATOM 1146 N THR A 72 -9.970 2.964 -6.216 1.00 0.37 N ATOM 1147 CA THR A 72 -11.420 3.001 -6.287 1.00 0.33 C ATOM 1148 C THR A 72 -11.969 1.604 -6.578 1.00 0.31 C ATOM 1149 O THR A 72 -13.124 1.434 -6.973 1.00 0.33 O ATOM 1150 CB THR A 72 -11.899 4.009 -7.357 1.00 0.43 C ATOM 1151 OG1 THR A 72 -13.329 4.045 -7.405 1.00 1.33 O ATOM 1152 CG2 THR A 72 -11.344 3.652 -8.726 1.00 1.22 C ATOM 0 H THR A 72 -9.512 2.681 -7.082 1.00 0.37 H new ATOM 0 HA THR A 72 -11.802 3.334 -5.322 1.00 0.33 H new ATOM 0 HB THR A 72 -11.528 4.996 -7.080 1.00 0.43 H new ATOM 0 HG1 THR A 72 -13.681 3.132 -7.349 1.00 1.33 H new ATOM 0 HG21 THR A 72 -11.695 4.376 -9.461 1.00 1.22 H new ATOM 0 HG22 THR A 72 -10.255 3.668 -8.693 1.00 1.22 H new ATOM 0 HG23 THR A 72 -11.683 2.655 -9.008 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.157 0.604 -6.276 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.571 -0.790 -6.406 1.00 0.40 C ATOM 1162 C ASP A 73 -12.072 -1.313 -5.070 1.00 0.39 C ATOM 1163 O ASP A 73 -12.228 -2.522 -4.871 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.414 -1.654 -6.915 1.00 0.52 C ATOM 1165 CG ASP A 73 -10.893 -2.858 -7.706 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -11.680 -2.677 -8.662 1.00 1.21 O ATOM 1167 OD2 ASP A 73 -10.492 -3.993 -7.372 1.00 1.31 O ATOM 0 H ASP A 73 -10.203 0.729 -5.938 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.382 -0.843 -7.132 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -9.760 -1.048 -7.542 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -9.818 -1.993 -6.068 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.201 -0.409 -4.115 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.553 -0.787 -2.763 1.00 0.33 C ATOM 1174 C ALA A 74 -14.060 -0.775 -2.575 1.00 0.35 C ATOM 1175 O ALA A 74 -14.746 0.122 -3.049 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.871 0.134 -1.771 1.00 0.36 C ATOM 0 H ALA A 74 -12.067 0.593 -4.254 1.00 0.31 H new ATOM 0 HA ALA A 74 -12.206 -1.804 -2.582 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -12.142 -0.159 -0.757 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.790 0.063 -1.892 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.189 1.161 -1.950 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.567 -1.773 -1.877 1.00 0.48 N ATOM 1183 CA TYR A 75 -15.995 -1.886 -1.638 1.00 0.52 C ATOM 1184 C TYR A 75 -16.373 -1.157 -0.357 1.00 0.46 C ATOM 1185 O TYR A 75 -15.869 -1.475 0.713 1.00 0.55 O ATOM 1186 CB TYR A 75 -16.410 -3.358 -1.556 1.00 0.71 C ATOM 1187 CG TYR A 75 -16.130 -4.147 -2.821 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -16.360 -3.592 -4.075 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -15.638 -5.445 -2.761 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -16.107 -4.309 -5.231 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -15.381 -6.167 -3.913 1.00 2.26 C ATOM 1192 CZ TYR A 75 -15.612 -5.594 -5.143 1.00 2.21 C ATOM 1193 OH TYR A 75 -15.363 -6.309 -6.295 1.00 2.86 O ATOM 0 H TYR A 75 -14.010 -2.520 -1.464 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.524 -1.425 -2.472 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -15.886 -3.827 -0.723 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -17.476 -3.413 -1.334 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -16.742 -2.585 -4.148 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -15.453 -5.898 -1.798 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -16.296 -3.865 -6.197 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -15.001 -7.176 -3.847 1.00 2.26 H new ATOM 0 HH TYR A 75 -15.017 -7.195 -6.061 1.00 2.86 H new ATOM 1203 N ALA A 76 -17.186 -0.122 -0.498 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.584 0.721 0.628 1.00 0.57 C ATOM 1205 C ALA A 76 -18.284 -0.077 1.727 1.00 0.50 C ATOM 1206 O ALA A 76 -18.291 0.325 2.892 1.00 0.63 O ATOM 1207 CB ALA A 76 -18.495 1.836 0.141 1.00 0.74 C ATOM 0 H ALA A 76 -17.590 0.160 -1.391 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.676 1.144 1.058 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -18.788 2.461 0.985 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -17.966 2.443 -0.594 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -19.385 1.405 -0.318 1.00 0.74 H new ATOM 1213 N GLY A 77 -18.936 -1.162 1.340 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.681 -1.956 2.294 1.00 0.55 C ATOM 1215 C GLY A 77 -18.857 -3.069 2.910 1.00 0.48 C ATOM 1216 O GLY A 77 -19.258 -3.667 3.910 1.00 0.58 O ATOM 0 H GLY A 77 -18.963 -1.508 0.381 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -20.054 -1.307 3.086 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.551 -2.387 1.799 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.713 -3.364 2.311 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.865 -4.443 2.795 1.00 0.49 C ATOM 1222 C LYS A 78 -15.535 -3.911 3.305 1.00 0.43 C ATOM 1223 O LYS A 78 -14.868 -3.135 2.626 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.631 -5.477 1.688 1.00 0.70 C ATOM 1225 CG LYS A 78 -17.285 -6.822 1.967 1.00 0.98 C ATOM 1226 CD LYS A 78 -18.506 -7.046 1.085 1.00 1.62 C ATOM 1227 CE LYS A 78 -19.705 -6.250 1.577 1.00 1.93 C ATOM 1228 NZ LYS A 78 -20.885 -7.112 1.829 1.00 2.32 N ATOM 0 H LYS A 78 -17.352 -2.874 1.493 1.00 0.44 H new ATOM 0 HA LYS A 78 -17.379 -4.925 3.627 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -17.015 -5.083 0.747 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -15.559 -5.623 1.559 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -16.562 -7.620 1.798 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -17.578 -6.874 3.015 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -18.273 -6.758 0.060 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -18.755 -8.107 1.069 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -19.439 -5.725 2.494 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -19.963 -5.491 0.838 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -21.677 -6.527 2.163 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -21.157 -7.594 0.949 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -20.649 -7.820 2.553 1.00 2.32 H new ATOM 1242 N GLU A 79 -15.149 -4.353 4.494 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.886 -3.946 5.087 1.00 0.43 C ATOM 1244 C GLU A 79 -12.725 -4.355 4.191 1.00 0.37 C ATOM 1245 O GLU A 79 -12.643 -5.502 3.748 1.00 0.39 O ATOM 1246 CB GLU A 79 -13.723 -4.568 6.472 1.00 0.59 C ATOM 1247 CG GLU A 79 -14.647 -3.970 7.518 1.00 1.13 C ATOM 1248 CD GLU A 79 -14.819 -4.862 8.731 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -13.804 -5.170 9.395 1.00 2.05 O ATOM 1250 OE2 GLU A 79 -15.962 -5.276 9.014 1.00 2.20 O ATOM 0 H GLU A 79 -15.696 -4.996 5.067 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.886 -2.861 5.189 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -13.910 -5.640 6.404 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -12.690 -4.444 6.798 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -14.252 -3.005 7.836 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -15.623 -3.783 7.069 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.870 -3.403 3.874 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.754 -3.658 2.988 1.00 0.38 C ATOM 1259 C TYR A 80 -9.446 -3.573 3.753 1.00 0.41 C ATOM 1260 O TYR A 80 -9.191 -2.594 4.457 1.00 0.55 O ATOM 1261 CB TYR A 80 -10.745 -2.643 1.848 1.00 0.43 C ATOM 1262 CG TYR A 80 -11.107 -3.223 0.501 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -12.409 -3.617 0.225 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -10.148 -3.392 -0.488 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -12.746 -4.160 -0.997 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -10.478 -3.938 -1.713 1.00 0.64 C ATOM 1267 CZ TYR A 80 -11.769 -4.256 -1.993 1.00 0.66 C ATOM 1268 OH TYR A 80 -12.113 -4.873 -3.179 1.00 0.85 O ATOM 0 H TYR A 80 -11.928 -2.444 4.218 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.862 -4.661 2.575 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -11.443 -1.840 2.085 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -9.754 -2.194 1.784 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -13.171 -3.496 0.980 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -9.128 -3.092 -0.297 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -13.752 -4.507 -1.183 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -9.708 -4.113 -2.450 1.00 0.64 H new ATOM 0 HH TYR A 80 -12.182 -4.201 -3.889 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.605 -4.576 3.590 1.00 0.31 N ATOM 1279 CA ILE A 81 -7.296 -4.558 4.210 1.00 0.33 C ATOM 1280 C ILE A 81 -6.217 -4.387 3.147 1.00 0.29 C ATOM 1281 O ILE A 81 -6.139 -5.153 2.187 1.00 0.29 O ATOM 1282 CB ILE A 81 -7.031 -5.824 5.061 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.624 -5.787 5.656 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.238 -7.093 4.249 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -5.550 -5.039 6.968 1.00 1.11 C ATOM 0 H ILE A 81 -8.804 -5.409 3.036 1.00 0.31 H new ATOM 0 HA ILE A 81 -7.267 -3.708 4.892 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.753 -5.833 5.878 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -5.274 -6.808 5.807 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.947 -5.320 4.941 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -7.044 -7.963 4.877 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.265 -7.129 3.887 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.554 -7.098 3.401 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -4.524 -5.050 7.336 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.870 -4.008 6.818 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -6.202 -5.519 7.698 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.483 -3.299 3.258 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.460 -2.954 2.292 1.00 0.30 C ATOM 1299 C ILE A 82 -3.092 -3.351 2.825 1.00 0.32 C ATOM 1300 O ILE A 82 -2.775 -3.080 3.976 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.483 -1.439 1.992 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -5.771 -1.063 1.260 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -3.268 -1.026 1.177 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.328 0.279 1.675 1.00 0.64 C ATOM 0 H ILE A 82 -5.579 -2.629 4.021 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.660 -3.495 1.367 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.450 -0.904 2.941 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -5.580 -1.053 0.187 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.522 -1.832 1.443 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -3.309 0.045 0.980 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -2.360 -1.258 1.734 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -3.262 -1.569 0.232 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -7.242 0.482 1.116 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -6.550 0.266 2.742 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -5.594 1.058 1.466 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.298 -4.015 2.007 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.980 -4.444 2.429 1.00 0.34 C ATOM 1318 C GLN A 83 0.090 -3.823 1.541 1.00 0.29 C ATOM 1319 O GLN A 83 -0.019 -3.848 0.314 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.889 -5.968 2.398 1.00 0.44 C ATOM 1321 CG GLN A 83 0.061 -6.540 3.435 1.00 0.60 C ATOM 1322 CD GLN A 83 -0.630 -6.987 4.707 1.00 0.71 C ATOM 1323 OE1 GLN A 83 -1.847 -7.168 4.744 1.00 1.59 O ATOM 1324 NE2 GLN A 83 0.150 -7.187 5.756 1.00 0.64 N ATOM 0 H GLN A 83 -2.542 -4.268 1.050 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.811 -4.108 3.452 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.883 -6.387 2.557 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.565 -6.284 1.407 1.00 0.44 H new ATOM 0 HG2 GLN A 83 0.591 -7.388 3.002 1.00 0.60 H new ATOM 0 HG3 GLN A 83 0.811 -5.789 3.683 1.00 0.60 H new ATOM 0 HE21 GLN A 83 1.154 -7.025 5.683 1.00 0.64 H new ATOM 0 HE22 GLN A 83 -0.253 -7.503 6.638 1.00 0.64 H new ATOM 1333 N VAL A 84 1.060 -3.175 2.174 1.00 0.28 N ATOM 1334 CA VAL A 84 2.127 -2.474 1.464 1.00 0.28 C ATOM 1335 C VAL A 84 3.477 -3.167 1.672 1.00 0.28 C ATOM 1336 O VAL A 84 3.820 -3.546 2.793 1.00 0.32 O ATOM 1337 CB VAL A 84 2.256 -1.010 1.943 1.00 0.35 C ATOM 1338 CG1 VAL A 84 2.908 -0.146 0.874 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.907 -0.436 2.344 1.00 0.51 C ATOM 0 H VAL A 84 1.131 -3.119 3.190 1.00 0.28 H new ATOM 0 HA VAL A 84 1.861 -2.491 0.407 1.00 0.28 H new ATOM 0 HB VAL A 84 2.895 -1.008 2.826 1.00 0.35 H new ATOM 0 HG11 VAL A 84 2.988 0.880 1.234 1.00 0.36 H new ATOM 0 HG12 VAL A 84 3.903 -0.531 0.652 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.301 -0.167 -0.031 1.00 0.36 H new ATOM 0 HG21 VAL A 84 1.034 0.595 2.676 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.232 -0.461 1.489 1.00 0.51 H new ATOM 0 HG23 VAL A 84 0.486 -1.029 3.156 1.00 0.51 H new ATOM 1349 N ALA A 85 4.270 -3.263 0.606 1.00 0.31 N ATOM 1350 CA ALA A 85 5.616 -3.828 0.697 1.00 0.36 C ATOM 1351 C ALA A 85 6.656 -2.817 0.235 1.00 0.30 C ATOM 1352 O ALA A 85 6.357 -1.937 -0.577 1.00 0.37 O ATOM 1353 CB ALA A 85 5.733 -5.100 -0.129 1.00 0.49 C ATOM 0 H ALA A 85 4.004 -2.957 -0.330 1.00 0.31 H new ATOM 0 HA ALA A 85 5.800 -4.075 1.743 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.744 -5.498 -0.043 1.00 0.49 H new ATOM 0 HB2 ALA A 85 5.020 -5.838 0.237 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.519 -4.876 -1.174 1.00 0.49 H new ATOM 1359 N ALA A 86 7.882 -2.974 0.721 1.00 0.35 N ATOM 1360 CA ALA A 86 8.978 -2.097 0.337 1.00 0.45 C ATOM 1361 C ALA A 86 10.076 -2.874 -0.378 1.00 0.40 C ATOM 1362 O ALA A 86 10.250 -4.073 -0.156 1.00 0.55 O ATOM 1363 CB ALA A 86 9.548 -1.388 1.558 1.00 0.70 C ATOM 0 H ALA A 86 8.141 -3.704 1.384 1.00 0.35 H new ATOM 0 HA ALA A 86 8.583 -1.350 -0.352 1.00 0.45 H new ATOM 0 HB1 ALA A 86 10.366 -0.737 1.251 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.767 -0.792 2.030 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.919 -2.127 2.268 1.00 0.70 H new ATOM 1369 N LYS A 87 10.802 -2.179 -1.239 1.00 0.46 N ATOM 1370 CA LYS A 87 11.899 -2.759 -2.004 1.00 0.49 C ATOM 1371 C LYS A 87 12.689 -1.620 -2.632 1.00 0.61 C ATOM 1372 O LYS A 87 12.165 -0.520 -2.754 1.00 0.80 O ATOM 1373 CB LYS A 87 11.349 -3.707 -3.086 1.00 0.62 C ATOM 1374 CG LYS A 87 12.388 -4.227 -4.070 1.00 0.69 C ATOM 1375 CD LYS A 87 11.794 -4.406 -5.457 1.00 0.91 C ATOM 1376 CE LYS A 87 12.861 -4.713 -6.491 1.00 1.08 C ATOM 1377 NZ LYS A 87 13.016 -3.608 -7.469 1.00 1.33 N ATOM 0 H LYS A 87 10.647 -1.189 -1.429 1.00 0.46 H new ATOM 0 HA LYS A 87 12.550 -3.344 -1.354 1.00 0.49 H new ATOM 0 HB2 LYS A 87 10.875 -4.558 -2.596 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.570 -3.186 -3.643 1.00 0.62 H new ATOM 0 HG2 LYS A 87 13.226 -3.532 -4.118 1.00 0.69 H new ATOM 0 HG3 LYS A 87 12.783 -5.179 -3.716 1.00 0.69 H new ATOM 0 HD2 LYS A 87 11.063 -5.214 -5.438 1.00 0.91 H new ATOM 0 HD3 LYS A 87 11.260 -3.500 -5.744 1.00 0.91 H new ATOM 0 HE2 LYS A 87 13.812 -4.890 -5.990 1.00 1.08 H new ATOM 0 HE3 LYS A 87 12.602 -5.631 -7.018 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 13.861 -3.776 -8.052 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 12.176 -3.566 -8.081 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 13.120 -2.707 -6.961 1.00 1.33 H new ATOM 1391 N ASP A 88 13.929 -1.855 -3.030 1.00 0.67 N ATOM 1392 CA ASP A 88 14.691 -0.807 -3.694 1.00 0.81 C ATOM 1393 C ASP A 88 14.334 -0.768 -5.175 1.00 0.90 C ATOM 1394 O ASP A 88 13.752 -1.713 -5.709 1.00 1.00 O ATOM 1395 CB ASP A 88 16.198 -0.996 -3.515 1.00 0.96 C ATOM 1396 CG ASP A 88 16.985 0.101 -4.209 1.00 1.22 C ATOM 1397 OD1 ASP A 88 16.722 1.292 -3.938 1.00 1.53 O ATOM 1398 OD2 ASP A 88 17.828 -0.218 -5.073 1.00 1.42 O ATOM 0 H ASP A 88 14.421 -2.740 -2.910 1.00 0.67 H new ATOM 0 HA ASP A 88 14.426 0.143 -3.231 1.00 0.81 H new ATOM 0 HB2 ASP A 88 16.441 -1.002 -2.452 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.494 -1.966 -3.915 1.00 0.96 H new ATOM 1403 N ASN A 89 14.616 0.350 -5.820 1.00 1.00 N ATOM 1404 CA ASN A 89 14.265 0.530 -7.221 1.00 1.17 C ATOM 1405 C ASN A 89 15.291 -0.123 -8.139 1.00 1.27 C ATOM 1406 O ASN A 89 14.973 -0.498 -9.267 1.00 1.46 O ATOM 1407 CB ASN A 89 14.148 2.021 -7.547 1.00 1.30 C ATOM 1408 CG ASN A 89 13.264 2.297 -8.750 1.00 1.53 C ATOM 1409 OD1 ASN A 89 13.703 2.197 -9.896 1.00 1.91 O ATOM 1410 ND2 ASN A 89 12.017 2.661 -8.498 1.00 1.75 N ATOM 0 H ASN A 89 15.088 1.149 -5.397 1.00 1.00 H new ATOM 0 HA ASN A 89 13.303 0.046 -7.390 1.00 1.17 H new ATOM 0 HB2 ASN A 89 13.747 2.547 -6.680 1.00 1.30 H new ATOM 0 HB3 ASN A 89 15.143 2.426 -7.733 1.00 1.30 H new ATOM 0 HD21 ASN A 89 11.381 2.870 -9.268 1.00 1.75 H new ATOM 0 HD22 ASN A 89 11.691 2.732 -7.534 1.00 1.75 H new ATOM 1417 N GLU A 90 16.517 -0.263 -7.655 1.00 1.29 N ATOM 1418 CA GLU A 90 17.585 -0.864 -8.443 1.00 1.46 C ATOM 1419 C GLU A 90 17.900 -2.266 -7.944 1.00 1.44 C ATOM 1420 O GLU A 90 17.875 -3.231 -8.711 1.00 1.57 O ATOM 1421 CB GLU A 90 18.840 0.007 -8.385 1.00 1.60 C ATOM 1422 CG GLU A 90 18.538 1.494 -8.392 1.00 1.82 C ATOM 1423 CD GLU A 90 19.122 2.202 -9.593 1.00 1.96 C ATOM 1424 OE1 GLU A 90 18.790 1.811 -10.731 1.00 2.26 O ATOM 1425 OE2 GLU A 90 19.923 3.142 -9.408 1.00 2.17 O ATOM 0 H GLU A 90 16.797 0.032 -6.720 1.00 1.29 H new ATOM 0 HA GLU A 90 17.248 -0.933 -9.477 1.00 1.46 H new ATOM 0 HB2 GLU A 90 19.403 -0.238 -7.485 1.00 1.60 H new ATOM 0 HB3 GLU A 90 19.479 -0.231 -9.235 1.00 1.60 H new ATOM 0 HG2 GLU A 90 17.458 1.641 -8.378 1.00 1.82 H new ATOM 0 HG3 GLU A 90 18.933 1.945 -7.482 1.00 1.82 H new ATOM 1432 N ILE A 91 18.128 -2.379 -6.647 1.00 1.38 N ATOM 1433 CA ILE A 91 18.395 -3.660 -6.026 1.00 1.45 C ATOM 1434 C ILE A 91 17.082 -4.391 -5.769 1.00 1.48 C ATOM 1435 O ILE A 91 16.125 -3.811 -5.252 1.00 1.79 O ATOM 1436 CB ILE A 91 19.190 -3.491 -4.708 1.00 1.63 C ATOM 1437 CG1 ILE A 91 20.629 -3.056 -5.011 1.00 2.02 C ATOM 1438 CG2 ILE A 91 19.191 -4.784 -3.904 1.00 1.69 C ATOM 1439 CD1 ILE A 91 20.819 -1.554 -5.053 1.00 2.51 C ATOM 0 H ILE A 91 18.133 -1.590 -6.001 1.00 1.38 H new ATOM 0 HA ILE A 91 19.008 -4.252 -6.706 1.00 1.45 H new ATOM 0 HB ILE A 91 18.703 -2.719 -4.112 1.00 1.63 H new ATOM 0 HG12 ILE A 91 21.292 -3.475 -4.254 1.00 2.02 H new ATOM 0 HG13 ILE A 91 20.932 -3.478 -5.969 1.00 2.02 H new ATOM 0 HG21 ILE A 91 19.756 -4.639 -2.983 1.00 1.69 H new ATOM 0 HG22 ILE A 91 18.165 -5.062 -3.661 1.00 1.69 H new ATOM 0 HG23 ILE A 91 19.652 -5.578 -4.492 1.00 1.69 H new ATOM 0 HD11 ILE A 91 21.862 -1.325 -5.272 1.00 2.51 H new ATOM 0 HD12 ILE A 91 20.183 -1.128 -5.829 1.00 2.51 H new ATOM 0 HD13 ILE A 91 20.549 -1.126 -4.088 1.00 2.51 H new ATOM 1451 N GLY A 92 17.000 -5.619 -6.252 1.00 1.53 N ATOM 1452 CA GLY A 92 15.765 -6.364 -6.173 1.00 1.75 C ATOM 1453 C GLY A 92 15.563 -7.040 -4.829 1.00 1.30 C ATOM 1454 O GLY A 92 15.350 -8.251 -4.762 1.00 1.27 O ATOM 0 H GLY A 92 17.771 -6.115 -6.699 1.00 1.53 H new ATOM 0 HA2 GLY A 92 14.929 -5.691 -6.364 1.00 1.75 H new ATOM 0 HA3 GLY A 92 15.752 -7.119 -6.959 1.00 1.75 H new ATOM 1458 N THR A 93 15.599 -6.255 -3.766 1.00 1.16 N ATOM 1459 CA THR A 93 15.389 -6.771 -2.424 1.00 0.92 C ATOM 1460 C THR A 93 13.898 -6.840 -2.104 1.00 0.81 C ATOM 1461 O THR A 93 13.325 -5.900 -1.553 1.00 0.82 O ATOM 1462 CB THR A 93 16.099 -5.884 -1.389 1.00 1.19 C ATOM 1463 OG1 THR A 93 16.424 -4.615 -1.978 1.00 1.75 O ATOM 1464 CG2 THR A 93 17.367 -6.559 -0.886 1.00 1.62 C ATOM 0 H THR A 93 15.773 -5.251 -3.807 1.00 1.16 H new ATOM 0 HA THR A 93 15.808 -7.776 -2.378 1.00 0.92 H new ATOM 0 HB THR A 93 15.428 -5.730 -0.544 1.00 1.19 H new ATOM 0 HG1 THR A 93 16.875 -4.052 -1.314 1.00 1.75 H new ATOM 0 HG21 THR A 93 17.856 -5.916 -0.154 1.00 1.62 H new ATOM 0 HG22 THR A 93 17.112 -7.511 -0.420 1.00 1.62 H new ATOM 0 HG23 THR A 93 18.042 -6.734 -1.723 1.00 1.62 H new ATOM 1472 N TRP A 94 13.252 -7.904 -2.565 1.00 0.78 N ATOM 1473 CA TRP A 94 11.809 -8.044 -2.434 1.00 0.75 C ATOM 1474 C TRP A 94 11.412 -8.454 -1.018 1.00 0.74 C ATOM 1475 O TRP A 94 11.545 -9.619 -0.634 1.00 0.89 O ATOM 1476 CB TRP A 94 11.280 -9.075 -3.437 1.00 0.82 C ATOM 1477 CG TRP A 94 11.218 -8.571 -4.851 1.00 0.84 C ATOM 1478 CD1 TRP A 94 12.267 -8.400 -5.708 1.00 0.93 C ATOM 1479 CD2 TRP A 94 10.042 -8.184 -5.574 1.00 1.04 C ATOM 1480 NE1 TRP A 94 11.816 -7.924 -6.916 1.00 1.13 N ATOM 1481 CE2 TRP A 94 10.455 -7.786 -6.860 1.00 1.19 C ATOM 1482 CE3 TRP A 94 8.680 -8.137 -5.262 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 9.558 -7.342 -7.828 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 7.790 -7.697 -6.226 1.00 1.55 C ATOM 1485 CH2 TRP A 94 8.233 -7.307 -7.496 1.00 1.63 C ATOM 0 H TRP A 94 13.708 -8.686 -3.035 1.00 0.78 H new ATOM 0 HA TRP A 94 11.365 -7.071 -2.645 1.00 0.75 H new ATOM 0 HB2 TRP A 94 11.916 -9.959 -3.404 1.00 0.82 H new ATOM 0 HB3 TRP A 94 10.283 -9.389 -3.129 1.00 0.82 H new ATOM 0 HD1 TRP A 94 13.300 -8.608 -5.471 1.00 0.93 H new ATOM 0 HE1 TRP A 94 12.401 -7.708 -7.724 1.00 1.13 H new ATOM 0 HE3 TRP A 94 8.329 -8.439 -4.286 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 9.897 -7.036 -8.807 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 6.736 -7.654 -5.995 1.00 1.55 H new ATOM 0 HH2 TRP A 94 7.513 -6.972 -8.228 1.00 1.63 H new ATOM 1496 N SER A 95 10.869 -7.507 -0.271 1.00 0.65 N ATOM 1497 CA SER A 95 10.350 -7.785 1.059 1.00 0.65 C ATOM 1498 C SER A 95 8.875 -8.164 0.971 1.00 0.63 C ATOM 1499 O SER A 95 8.241 -7.969 -0.070 1.00 0.72 O ATOM 1500 CB SER A 95 10.529 -6.563 1.958 1.00 0.68 C ATOM 1501 OG SER A 95 11.555 -5.721 1.461 1.00 0.94 O ATOM 0 H SER A 95 10.776 -6.535 -0.564 1.00 0.65 H new ATOM 0 HA SER A 95 10.904 -8.619 1.490 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.593 -6.008 2.016 1.00 0.68 H new ATOM 0 HB3 SER A 95 10.773 -6.883 2.971 1.00 0.68 H new ATOM 0 HG SER A 95 11.156 -4.989 0.945 1.00 0.94 H new ATOM 1507 N ASP A 96 8.328 -8.684 2.060 1.00 0.69 N ATOM 1508 CA ASP A 96 6.920 -9.055 2.099 1.00 0.74 C ATOM 1509 C ASP A 96 6.061 -7.829 2.370 1.00 0.63 C ATOM 1510 O ASP A 96 6.528 -6.850 2.962 1.00 0.53 O ATOM 1511 CB ASP A 96 6.672 -10.123 3.173 1.00 0.94 C ATOM 1512 CG ASP A 96 5.225 -10.586 3.223 1.00 1.28 C ATOM 1513 OD1 ASP A 96 4.605 -10.737 2.146 1.00 1.57 O ATOM 1514 OD2 ASP A 96 4.694 -10.797 4.336 1.00 1.94 O ATOM 0 H ASP A 96 8.836 -8.859 2.927 1.00 0.69 H new ATOM 0 HA ASP A 96 6.646 -9.471 1.129 1.00 0.74 H new ATOM 0 HB2 ASP A 96 7.316 -10.981 2.981 1.00 0.94 H new ATOM 0 HB3 ASP A 96 6.955 -9.724 4.147 1.00 0.94 H new ATOM 1519 N TRP A 97 4.802 -7.907 1.977 1.00 0.76 N ATOM 1520 CA TRP A 97 3.846 -6.850 2.230 1.00 0.73 C ATOM 1521 C TRP A 97 3.554 -6.797 3.727 1.00 0.60 C ATOM 1522 O TRP A 97 2.928 -7.701 4.280 1.00 0.76 O ATOM 1523 CB TRP A 97 2.578 -7.104 1.415 1.00 0.99 C ATOM 1524 CG TRP A 97 2.715 -6.750 -0.040 1.00 1.31 C ATOM 1525 CD1 TRP A 97 2.105 -5.716 -0.683 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.507 -7.421 -1.036 1.00 1.05 C ATOM 1527 NE1 TRP A 97 2.452 -5.710 -2.010 1.00 2.24 N ATOM 1528 CE2 TRP A 97 3.314 -6.741 -2.251 1.00 1.53 C ATOM 1529 CE3 TRP A 97 4.360 -8.527 -1.021 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.935 -7.134 -3.434 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 4.978 -8.914 -2.194 1.00 1.38 C ATOM 1532 CH2 TRP A 97 4.762 -8.219 -3.386 1.00 1.26 C ATOM 0 H TRP A 97 4.416 -8.706 1.474 1.00 0.76 H new ATOM 0 HA TRP A 97 4.250 -5.885 1.924 1.00 0.73 H new ATOM 0 HB2 TRP A 97 2.306 -8.156 1.500 1.00 0.99 H new ATOM 0 HB3 TRP A 97 1.759 -6.528 1.845 1.00 0.99 H new ATOM 0 HD1 TRP A 97 1.443 -5.003 -0.215 1.00 2.12 H new ATOM 0 HE1 TRP A 97 2.119 -5.042 -2.705 1.00 2.24 H new ATOM 0 HE3 TRP A 97 4.534 -9.072 -0.105 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 3.768 -6.599 -4.357 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 5.639 -9.768 -2.189 1.00 1.38 H new ATOM 0 HH2 TRP A 97 5.259 -8.546 -4.287 1.00 1.26 H new ATOM 1543 N SER A 98 4.256 -5.901 4.396 1.00 0.41 N ATOM 1544 CA SER A 98 4.335 -5.908 5.845 1.00 0.42 C ATOM 1545 C SER A 98 3.247 -5.066 6.500 1.00 0.38 C ATOM 1546 O SER A 98 2.705 -5.443 7.541 1.00 0.46 O ATOM 1547 CB SER A 98 5.707 -5.385 6.259 1.00 0.51 C ATOM 1548 OG SER A 98 6.453 -4.994 5.115 1.00 0.50 O ATOM 0 H SER A 98 4.786 -5.151 3.952 1.00 0.41 H new ATOM 0 HA SER A 98 4.186 -6.933 6.184 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.592 -4.536 6.933 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.247 -6.157 6.807 1.00 0.51 H new ATOM 0 HG SER A 98 6.534 -5.754 4.502 1.00 0.50 H new ATOM 1554 N VAL A 99 3.048 -3.863 5.989 1.00 0.33 N ATOM 1555 CA VAL A 99 2.166 -2.913 6.647 1.00 0.34 C ATOM 1556 C VAL A 99 0.732 -3.026 6.151 1.00 0.32 C ATOM 1557 O VAL A 99 0.425 -2.734 4.996 1.00 0.34 O ATOM 1558 CB VAL A 99 2.665 -1.467 6.491 1.00 0.42 C ATOM 1559 CG1 VAL A 99 3.673 -1.145 7.581 1.00 1.21 C ATOM 1560 CG2 VAL A 99 3.275 -1.248 5.120 1.00 1.32 C ATOM 0 H VAL A 99 3.480 -3.523 5.130 1.00 0.33 H new ATOM 0 HA VAL A 99 2.180 -3.169 7.706 1.00 0.34 H new ATOM 0 HB VAL A 99 1.812 -0.795 6.589 1.00 0.42 H new ATOM 0 HG11 VAL A 99 4.021 -0.119 7.463 1.00 1.21 H new ATOM 0 HG12 VAL A 99 3.202 -1.258 8.557 1.00 1.21 H new ATOM 0 HG13 VAL A 99 4.520 -1.827 7.506 1.00 1.21 H new ATOM 0 HG21 VAL A 99 3.620 -0.217 5.036 1.00 1.32 H new ATOM 0 HG22 VAL A 99 4.118 -1.925 4.985 1.00 1.32 H new ATOM 0 HG23 VAL A 99 2.526 -1.444 4.353 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.130 -3.463 7.050 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.547 -3.612 6.773 1.00 0.41 C ATOM 1572 C ALA A 100 -2.315 -2.351 7.161 1.00 0.43 C ATOM 1573 O ALA A 100 -2.097 -1.784 8.233 1.00 0.61 O ATOM 1574 CB ALA A 100 -2.097 -4.818 7.516 1.00 0.50 C ATOM 0 H ALA A 100 0.135 -3.726 7.999 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.675 -3.767 5.702 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -3.161 -4.923 7.303 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.572 -5.716 7.191 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -1.954 -4.681 8.588 1.00 0.50 H new ATOM 1580 N ALA A 101 -3.228 -1.936 6.304 1.00 0.36 N ATOM 1581 CA ALA A 101 -4.067 -0.778 6.566 1.00 0.36 C ATOM 1582 C ALA A 101 -5.531 -1.132 6.345 1.00 0.41 C ATOM 1583 O ALA A 101 -5.908 -1.598 5.274 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.657 0.387 5.677 1.00 0.42 C ATOM 0 H ALA A 101 -3.410 -2.389 5.409 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.935 -0.477 7.605 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -4.295 1.246 5.886 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.618 0.649 5.877 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.764 0.101 4.631 1.00 0.42 H new ATOM 1590 N HIS A 102 -6.347 -0.941 7.366 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.766 -1.259 7.277 1.00 0.57 C ATOM 1592 C HIS A 102 -8.569 -0.008 6.961 1.00 0.50 C ATOM 1593 O HIS A 102 -8.412 1.016 7.627 1.00 0.76 O ATOM 1594 CB HIS A 102 -8.261 -1.874 8.587 1.00 0.95 C ATOM 1595 CG HIS A 102 -9.167 -3.052 8.402 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -10.025 -3.498 9.380 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -9.341 -3.880 7.348 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -10.686 -4.551 8.937 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -10.290 -4.804 7.703 1.00 2.00 N ATOM 0 H HIS A 102 -6.054 -0.567 8.268 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.904 -1.983 6.474 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -7.400 -2.180 9.181 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -8.787 -1.110 9.159 1.00 0.95 H new ATOM 0 HD1 HIS A 102 -10.134 -3.080 10.304 1.00 1.60 H new ATOM 0 HD2 HIS A 102 -8.827 -3.824 6.400 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -11.426 -5.111 9.490 1.00 2.18 H new ATOM 1608 N ALA A 103 -9.403 -0.085 5.935 1.00 0.38 N ATOM 1609 CA ALA A 103 -10.220 1.048 5.532 1.00 0.54 C ATOM 1610 C ALA A 103 -11.468 0.593 4.790 1.00 0.36 C ATOM 1611 O ALA A 103 -11.536 -0.529 4.286 1.00 0.35 O ATOM 1612 CB ALA A 103 -9.411 2.005 4.669 1.00 0.91 C ATOM 0 H ALA A 103 -9.531 -0.922 5.366 1.00 0.38 H new ATOM 0 HA ALA A 103 -10.537 1.570 6.435 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -10.037 2.848 4.375 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -8.554 2.369 5.235 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -9.062 1.484 3.777 1.00 0.91 H new ATOM 1618 N THR A 104 -12.456 1.469 4.747 1.00 0.41 N ATOM 1619 CA THR A 104 -13.716 1.198 4.070 1.00 0.38 C ATOM 1620 C THR A 104 -14.204 2.469 3.380 1.00 0.41 C ATOM 1621 O THR A 104 -14.373 3.493 4.042 1.00 0.51 O ATOM 1622 CB THR A 104 -14.785 0.723 5.074 1.00 0.50 C ATOM 1623 OG1 THR A 104 -14.178 0.451 6.347 1.00 0.73 O ATOM 1624 CG2 THR A 104 -15.490 -0.523 4.567 1.00 0.70 C ATOM 0 H THR A 104 -12.409 2.391 5.181 1.00 0.41 H new ATOM 0 HA THR A 104 -13.552 0.411 3.334 1.00 0.38 H new ATOM 0 HB THR A 104 -15.523 1.517 5.186 1.00 0.50 H new ATOM 0 HG1 THR A 104 -14.864 0.152 6.979 1.00 0.73 H new ATOM 0 HG21 THR A 104 -16.239 -0.838 5.293 1.00 0.70 H new ATOM 0 HG22 THR A 104 -15.976 -0.305 3.616 1.00 0.70 H new ATOM 0 HG23 THR A 104 -14.762 -1.322 4.427 1.00 0.70 H new ATOM 1632 N PRO A 105 -14.291 2.475 2.030 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.645 3.684 1.279 1.00 0.38 C ATOM 1634 C PRO A 105 -15.976 4.278 1.734 1.00 0.40 C ATOM 1635 O PRO A 105 -16.719 3.648 2.492 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.739 3.234 -0.181 1.00 0.44 C ATOM 1637 CG PRO A 105 -14.310 1.801 -0.239 1.00 0.45 C ATOM 1638 CD PRO A 105 -13.920 1.356 1.151 1.00 0.40 C ATOM 0 HA PRO A 105 -13.902 4.467 1.433 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.758 3.344 -0.551 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -14.101 3.851 -0.814 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -15.119 1.179 -0.622 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -13.469 1.686 -0.923 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.443 0.442 1.434 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -12.853 1.144 1.212 1.00 0.40 H new ATOM 1646 N TRP A 106 -16.250 5.511 1.305 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.467 6.212 1.708 1.00 0.41 C ATOM 1648 C TRP A 106 -18.697 5.346 1.475 1.00 0.48 C ATOM 1649 O TRP A 106 -18.983 4.941 0.348 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.607 7.535 0.950 1.00 0.51 C ATOM 1651 CG TRP A 106 -18.867 8.272 1.293 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -19.354 8.518 2.542 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -19.803 8.849 0.378 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -20.537 9.202 2.463 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -20.834 9.425 1.146 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -19.871 8.939 -1.012 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -21.920 10.074 0.567 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -20.946 9.585 -1.586 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -21.958 10.147 -0.799 1.00 1.07 C ATOM 0 H TRP A 106 -15.645 6.043 0.679 1.00 0.35 H new ATOM 0 HA TRP A 106 -17.390 6.425 2.774 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -16.749 8.169 1.173 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.587 7.338 -0.122 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -18.875 8.217 3.462 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -21.105 9.498 3.257 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -19.095 8.510 -1.629 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -22.704 10.504 1.173 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -21.008 9.659 -2.662 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -22.785 10.648 -1.279 1.00 1.07 H new ATOM 1670 N THR A 107 -19.403 5.041 2.549 1.00 0.60 N ATOM 1671 CA THR A 107 -20.573 4.197 2.467 1.00 0.75 C ATOM 1672 C THR A 107 -21.806 5.005 2.088 1.00 0.82 C ATOM 1673 O THR A 107 -22.529 5.507 2.949 1.00 0.89 O ATOM 1674 CB THR A 107 -20.813 3.463 3.792 1.00 0.96 C ATOM 1675 OG1 THR A 107 -19.590 3.408 4.538 1.00 1.19 O ATOM 1676 CG2 THR A 107 -21.324 2.055 3.537 1.00 1.19 C ATOM 0 H THR A 107 -19.182 5.368 3.490 1.00 0.60 H new ATOM 0 HA THR A 107 -20.391 3.458 1.687 1.00 0.75 H new ATOM 0 HB THR A 107 -21.565 4.007 4.364 1.00 0.96 H new ATOM 0 HG1 THR A 107 -19.744 2.940 5.385 1.00 1.19 H new ATOM 0 HG21 THR A 107 -21.488 1.550 4.489 1.00 1.19 H new ATOM 0 HG22 THR A 107 -22.262 2.103 2.985 1.00 1.19 H new ATOM 0 HG23 THR A 107 -20.588 1.501 2.954 1.00 1.19 H new