USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 632 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 NoAdj : A 21 ASNHD21 : A 21 ASN OD1 : A1085 CACA :(metal ligand) USER MOD NoAdj : A 21 ASNHD22 : A 21 ASN OD1 : A1085 CACA :(metal ligand) USER MOD Single : A 1 ALA N :NH3+ 176:sc= 0 (180deg=-0.00888) USER MOD Single : A 4 HIS : no HD1:sc= -2.89! K(o=-2.9!,f=-2.1) USER MOD Single : A 6 GLN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= -0.646! (180deg=-2.03!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 0.242! (180deg=-0.161!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 160:sc= -0.113 USER MOD Single : A 40 SER OG : rot -72:sc= 1.04 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.828 X(o=-0.83,f=-0.94) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 172:sc= -9.52! (180deg=-10.3!) USER MOD Single : A 55 THR OG1 : rot -25:sc= -2.3! USER MOD Single : A 62 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 64 GLN : amide:sc= -0.325 K(o=-0.32,f=-0.95) USER MOD Single : A 67 THR OG1 : rot 78:sc= 0.779 USER MOD Single : A 73 ASN : amide:sc= -4.62! C(o=-4.6!,f=-6.6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.299 -16.882 -0.249 1.00 0.00 N ATOM 2 CA ALA A 1 9.488 -15.988 0.624 1.00 0.00 C ATOM 3 C ALA A 1 8.873 -14.870 -0.222 1.00 0.00 C ATOM 4 O ALA A 1 8.895 -13.714 0.149 1.00 0.00 O ATOM 5 CB ALA A 1 10.385 -15.377 1.702 1.00 0.00 C ATOM 0 H1 ALA A 1 10.772 -17.602 0.335 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.678 -17.350 -0.940 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.015 -16.320 -0.752 1.00 0.00 H new ATOM 0 HA ALA A 1 8.693 -16.565 1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.792 -14.723 2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.823 -16.173 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.180 -14.800 1.230 1.00 0.00 H new ATOM 13 N ASP A 2 8.325 -15.207 -1.358 1.00 0.00 N ATOM 14 CA ASP A 2 7.710 -14.164 -2.226 1.00 0.00 C ATOM 15 C ASP A 2 6.298 -13.850 -1.726 1.00 0.00 C ATOM 16 O ASP A 2 5.560 -13.113 -2.350 1.00 0.00 O ATOM 17 CB ASP A 2 7.638 -14.678 -3.666 1.00 0.00 C ATOM 18 CG ASP A 2 9.055 -14.853 -4.217 1.00 0.00 C ATOM 19 OD1 ASP A 2 9.978 -14.354 -3.594 1.00 0.00 O ATOM 20 OD2 ASP A 2 9.193 -15.486 -5.251 1.00 0.00 O ATOM 0 H ASP A 2 8.277 -16.159 -1.722 1.00 0.00 H new ATOM 0 HA ASP A 2 8.317 -13.259 -2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.104 -15.628 -3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.079 -13.977 -4.286 1.00 0.00 H new ATOM 25 N ASP A 3 5.917 -14.401 -0.607 1.00 25.00 N ATOM 26 CA ASP A 3 4.552 -14.131 -0.072 1.00 25.00 C ATOM 27 C ASP A 3 4.498 -12.711 0.493 1.00 25.00 C ATOM 28 O ASP A 3 5.308 -12.328 1.314 1.00 25.00 O ATOM 29 CB ASP A 3 4.231 -15.136 1.038 1.00 25.00 C ATOM 30 CG ASP A 3 4.106 -16.537 0.436 1.00 25.00 C ATOM 31 OD1 ASP A 3 4.103 -16.640 -0.779 1.00 25.00 O ATOM 32 OD2 ASP A 3 4.014 -17.482 1.201 1.00 25.00 O ATOM 0 H ASP A 3 6.490 -15.026 -0.040 1.00 25.00 H new ATOM 0 HA ASP A 3 3.821 -14.230 -0.874 1.00 25.00 H new ATOM 0 HB2 ASP A 3 5.016 -15.122 1.794 1.00 25.00 H new ATOM 0 HB3 ASP A 3 3.303 -14.859 1.537 1.00 25.00 H new ATOM 37 N HIS A 4 3.548 -11.926 0.061 1.00 25.00 N ATOM 38 CA HIS A 4 3.443 -10.531 0.574 1.00 25.00 C ATOM 39 C HIS A 4 2.186 -10.397 1.431 1.00 25.00 C ATOM 40 O HIS A 4 1.347 -11.277 1.460 1.00 25.00 O ATOM 41 CB HIS A 4 3.357 -9.544 -0.599 1.00 50.00 C ATOM 42 CG HIS A 4 2.871 -10.248 -1.839 1.00 50.00 C ATOM 43 ND1 HIS A 4 1.528 -10.321 -2.170 1.00 50.00 N ATOM 44 CD2 HIS A 4 3.541 -10.908 -2.838 1.00 50.00 C ATOM 45 CE1 HIS A 4 1.432 -11.003 -3.326 1.00 50.00 C ATOM 46 NE2 HIS A 4 2.631 -11.384 -3.777 1.00 50.00 N ATOM 0 H HIS A 4 2.841 -12.191 -0.625 1.00 25.00 H new ATOM 0 HA HIS A 4 4.326 -10.306 1.172 1.00 25.00 H new ATOM 0 HB2 HIS A 4 2.680 -8.727 -0.347 1.00 50.00 H new ATOM 0 HB3 HIS A 4 4.336 -9.102 -0.784 1.00 50.00 H new ATOM 0 HD2 HIS A 4 4.612 -11.038 -2.888 1.00 50.00 H new ATOM 0 HE1 HIS A 4 0.500 -11.216 -3.828 1.00 50.00 H new ATOM 0 HE2 HIS A 4 2.835 -11.910 -4.627 1.00 50.00 H new ATOM 54 N PRO A 5 2.051 -9.264 2.135 1.00 25.00 N ATOM 55 CA PRO A 5 0.889 -8.998 2.989 1.00 25.00 C ATOM 56 C PRO A 5 -0.376 -8.813 2.151 1.00 25.00 C ATOM 57 O PRO A 5 -1.481 -8.998 2.621 1.00 25.00 O ATOM 58 CB PRO A 5 1.254 -7.692 3.693 1.00 50.00 C ATOM 59 CG PRO A 5 2.235 -7.037 2.780 1.00 50.00 C ATOM 60 CD PRO A 5 3.019 -8.154 2.152 1.00 50.00 C ATOM 0 HA PRO A 5 0.679 -9.816 3.679 1.00 25.00 H new ATOM 0 HB2 PRO A 5 0.376 -7.065 3.847 1.00 50.00 H new ATOM 0 HB3 PRO A 5 1.689 -7.878 4.675 1.00 50.00 H new ATOM 0 HG2 PRO A 5 1.726 -6.442 2.022 1.00 50.00 H new ATOM 0 HG3 PRO A 5 2.890 -6.361 3.330 1.00 50.00 H new ATOM 0 HD2 PRO A 5 3.356 -7.896 1.148 1.00 50.00 H new ATOM 0 HD3 PRO A 5 3.907 -8.401 2.733 1.00 50.00 H new ATOM 68 N GLN A 6 -0.217 -8.459 0.905 1.00 25.00 N ATOM 69 CA GLN A 6 -1.399 -8.271 0.024 1.00 25.00 C ATOM 70 C GLN A 6 -2.143 -9.599 -0.104 1.00 25.00 C ATOM 71 O GLN A 6 -3.357 -9.648 -0.106 1.00 25.00 O ATOM 72 CB GLN A 6 -0.930 -7.815 -1.358 1.00 25.00 C ATOM 73 CG GLN A 6 -0.860 -6.287 -1.396 1.00 25.00 C ATOM 74 CD GLN A 6 -0.137 -5.841 -2.669 1.00 25.00 C ATOM 75 OE1 GLN A 6 -0.705 -5.156 -3.495 1.00 25.00 O ATOM 76 NE2 GLN A 6 1.101 -6.205 -2.864 1.00 25.00 N ATOM 0 H GLN A 6 0.685 -8.292 0.460 1.00 25.00 H new ATOM 0 HA GLN A 6 -2.063 -7.518 0.450 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.049 -8.240 -1.580 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.616 -8.177 -2.124 1.00 25.00 H new ATOM 0 HG2 GLN A 6 -1.865 -5.865 -1.369 1.00 25.00 H new ATOM 0 HG3 GLN A 6 -0.334 -5.914 -0.517 1.00 25.00 H new ATOM 0 HE21 GLN A 6 1.579 -6.780 -2.170 1.00 25.00 H new ATOM 0 HE22 GLN A 6 1.591 -5.914 -3.710 1.00 25.00 H new ATOM 85 N ASP A 7 -1.419 -10.679 -0.209 1.00 16.66 N ATOM 86 CA ASP A 7 -2.078 -12.010 -0.333 1.00 16.66 C ATOM 87 C ASP A 7 -3.035 -12.212 0.841 1.00 16.66 C ATOM 88 O ASP A 7 -4.163 -12.628 0.672 1.00 16.66 O ATOM 89 CB ASP A 7 -1.014 -13.109 -0.323 1.00 16.66 C ATOM 90 CG ASP A 7 -0.265 -13.107 -1.657 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.688 -12.392 -2.550 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.719 -13.820 -1.763 1.00 50.00 O ATOM 0 H ASP A 7 -0.399 -10.698 -0.214 1.00 16.66 H new ATOM 0 HA ASP A 7 -2.636 -12.056 -1.268 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.316 -12.946 0.498 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.481 -14.080 -0.157 1.00 16.66 H new ATOM 97 N LYS A 8 -2.590 -11.919 2.029 1.00 16.66 N ATOM 98 CA LYS A 8 -3.470 -12.089 3.218 1.00 16.66 C ATOM 99 C LYS A 8 -4.817 -11.421 2.950 1.00 16.66 C ATOM 100 O LYS A 8 -5.855 -11.908 3.350 1.00 16.66 O ATOM 101 CB LYS A 8 -2.814 -11.439 4.436 1.00 16.66 C ATOM 102 CG LYS A 8 -1.950 -12.472 5.157 1.00 16.66 C ATOM 103 CD LYS A 8 -1.890 -12.135 6.649 1.00 16.66 C ATOM 104 CE LYS A 8 -0.723 -12.882 7.298 1.00 50.00 C ATOM 105 NZ LYS A 8 0.446 -12.880 6.374 1.00 50.00 N ATOM 0 H LYS A 8 -1.653 -11.568 2.229 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.620 -13.151 3.411 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.204 -10.591 4.125 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.577 -11.052 5.111 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.364 -13.470 5.015 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -0.945 -12.480 4.734 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.767 -11.060 6.785 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.827 -12.413 7.133 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -0.454 -12.408 8.242 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -1.016 -13.906 7.528 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.310 -13.104 6.907 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.303 -13.594 5.631 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 0.542 -11.941 5.938 1.00 50.00 H new ATOM 119 N ALA A 9 -4.807 -10.309 2.271 1.00 16.66 N ATOM 120 CA ALA A 9 -6.086 -9.612 1.970 1.00 16.66 C ATOM 121 C ALA A 9 -6.996 -10.568 1.205 1.00 16.66 C ATOM 122 O ALA A 9 -8.165 -10.710 1.506 1.00 16.66 O ATOM 123 CB ALA A 9 -5.810 -8.371 1.117 1.00 16.66 C ATOM 0 H ALA A 9 -3.968 -9.853 1.912 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.567 -9.303 2.898 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.749 -7.863 0.899 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.150 -7.695 1.661 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.334 -8.670 0.183 1.00 16.66 H new ATOM 129 N GLU A 10 -6.460 -11.233 0.224 1.00 16.66 N ATOM 130 CA GLU A 10 -7.282 -12.194 -0.562 1.00 16.66 C ATOM 131 C GLU A 10 -7.665 -13.368 0.336 1.00 16.66 C ATOM 132 O GLU A 10 -8.766 -13.879 0.277 1.00 16.66 O ATOM 133 CB GLU A 10 -6.474 -12.703 -1.756 1.00 16.66 C ATOM 134 CG GLU A 10 -5.888 -11.514 -2.520 1.00 16.66 C ATOM 135 CD GLU A 10 -5.224 -12.011 -3.806 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.847 -13.170 -3.845 1.00 16.66 O ATOM 137 OE2 GLU A 10 -5.105 -11.224 -4.731 1.00 16.66 O ATOM 0 H GLU A 10 -5.486 -11.154 -0.069 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.182 -11.699 -0.926 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.674 -13.359 -1.414 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -7.111 -13.294 -2.414 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.674 -10.798 -2.758 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.159 -10.993 -1.899 1.00 16.66 H new ATOM 144 N ARG A 11 -6.764 -13.795 1.174 1.00 16.66 N ATOM 145 CA ARG A 11 -7.066 -14.932 2.086 1.00 16.66 C ATOM 146 C ARG A 11 -8.127 -14.502 3.099 1.00 16.66 C ATOM 147 O ARG A 11 -9.038 -15.239 3.416 1.00 16.66 O ATOM 148 CB ARG A 11 -5.794 -15.333 2.830 1.00 16.66 C ATOM 149 CG ARG A 11 -4.786 -15.916 1.839 1.00 16.66 C ATOM 150 CD ARG A 11 -3.829 -16.853 2.575 1.00 50.00 C ATOM 151 NE ARG A 11 -2.569 -16.974 1.793 1.00 50.00 N ATOM 152 CZ ARG A 11 -2.397 -17.984 0.985 1.00 50.00 C ATOM 153 NH1 ARG A 11 -1.425 -18.829 1.192 1.00 50.00 N ATOM 154 NH2 ARG A 11 -3.200 -18.147 -0.031 1.00 50.00 N ATOM 0 H ARG A 11 -5.827 -13.404 1.267 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.435 -15.778 1.506 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.366 -14.466 3.333 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -6.027 -16.067 3.602 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.308 -16.458 1.050 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.227 -15.113 1.358 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.617 -16.467 3.572 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -4.287 -17.834 2.704 1.00 50.00 H new ATOM 0 HE ARG A 11 -1.840 -16.267 1.889 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -0.798 -18.701 1.986 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -1.292 -19.618 0.560 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -3.960 -17.486 -0.192 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -3.068 -18.936 -0.664 1.00 50.00 H new ATOM 168 N GLU A 12 -8.007 -13.309 3.605 1.00 16.66 N ATOM 169 CA GLU A 12 -9.000 -12.813 4.597 1.00 16.66 C ATOM 170 C GLU A 12 -10.367 -12.688 3.929 1.00 16.66 C ATOM 171 O GLU A 12 -11.381 -13.053 4.491 1.00 16.66 O ATOM 172 CB GLU A 12 -8.558 -11.443 5.116 1.00 16.66 C ATOM 173 CG GLU A 12 -7.708 -11.621 6.375 1.00 16.66 C ATOM 174 CD GLU A 12 -7.750 -10.337 7.206 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.540 -9.468 6.877 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.991 -10.245 8.157 1.00 50.00 O ATOM 0 H GLU A 12 -7.261 -12.653 3.374 1.00 16.66 H new ATOM 0 HA GLU A 12 -9.066 -13.514 5.429 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.986 -10.920 4.350 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.430 -10.828 5.338 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -8.081 -12.459 6.963 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.679 -11.856 6.102 1.00 16.66 H new ATOM 183 N ARG A 13 -10.403 -12.177 2.731 1.00 16.66 N ATOM 184 CA ARG A 13 -11.705 -12.031 2.023 1.00 16.66 C ATOM 185 C ARG A 13 -12.290 -13.415 1.751 1.00 16.66 C ATOM 186 O ARG A 13 -13.472 -13.644 1.908 1.00 16.66 O ATOM 187 CB ARG A 13 -11.490 -11.298 0.698 1.00 16.66 C ATOM 188 CG ARG A 13 -10.924 -9.904 0.971 1.00 16.66 C ATOM 189 CD ARG A 13 -10.386 -9.308 -0.330 1.00 16.66 C ATOM 190 NE ARG A 13 -11.527 -8.872 -1.183 1.00 50.00 N ATOM 191 CZ ARG A 13 -11.302 -8.339 -2.353 1.00 50.00 C ATOM 192 NH1 ARG A 13 -10.365 -7.441 -2.492 1.00 50.00 N ATOM 193 NH2 ARG A 13 -12.013 -8.704 -3.385 1.00 50.00 N ATOM 0 H ARG A 13 -9.587 -11.854 2.211 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.394 -11.458 2.644 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.805 -11.862 0.065 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.433 -11.219 0.157 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.700 -9.260 1.385 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.128 -9.962 1.713 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.735 -8.461 -0.113 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -9.783 -10.046 -0.859 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.485 -8.990 -0.852 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -9.808 -7.156 -1.686 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -10.189 -7.025 -3.406 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -12.745 -9.406 -3.277 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -11.837 -8.287 -4.299 1.00 50.00 H new ATOM 207 N ILE A 14 -11.466 -14.342 1.353 1.00 16.66 N ATOM 208 CA ILE A 14 -11.970 -15.714 1.080 1.00 16.66 C ATOM 209 C ILE A 14 -12.372 -16.370 2.402 1.00 16.66 C ATOM 210 O ILE A 14 -13.427 -16.962 2.518 1.00 16.66 O ATOM 211 CB ILE A 14 -10.866 -16.537 0.416 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.367 -15.805 -0.832 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.421 -17.907 0.018 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.916 -16.204 -1.111 1.00 50.00 C ATOM 0 H ILE A 14 -10.466 -14.208 1.205 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.833 -15.666 0.416 1.00 16.66 H new ATOM 0 HB ILE A 14 -10.040 -16.670 1.114 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.995 -16.053 -1.688 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.438 -14.727 -0.687 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.635 -18.495 -0.456 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.777 -18.427 0.907 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.247 -17.776 -0.681 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.560 -15.683 -2.000 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.294 -15.933 -0.258 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.860 -17.280 -1.274 1.00 50.00 H new ATOM 226 N PHE A 15 -11.541 -16.262 3.403 1.00 16.66 N ATOM 227 CA PHE A 15 -11.883 -16.876 4.714 1.00 16.66 C ATOM 228 C PHE A 15 -13.132 -16.199 5.277 1.00 16.66 C ATOM 229 O PHE A 15 -13.961 -16.826 5.904 1.00 16.66 O ATOM 230 CB PHE A 15 -10.720 -16.696 5.693 1.00 16.66 C ATOM 231 CG PHE A 15 -11.078 -17.355 7.005 1.00 16.66 C ATOM 232 CD1 PHE A 15 -11.770 -16.637 7.989 1.00 16.66 C ATOM 233 CD2 PHE A 15 -10.729 -18.692 7.232 1.00 16.66 C ATOM 234 CE1 PHE A 15 -12.109 -17.256 9.200 1.00 16.66 C ATOM 235 CE2 PHE A 15 -11.071 -19.311 8.441 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.761 -18.593 9.426 1.00 16.66 C ATOM 0 H PHE A 15 -10.644 -15.777 3.369 1.00 16.66 H new ATOM 0 HA PHE A 15 -12.071 -17.941 4.576 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.811 -17.139 5.284 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.517 -15.636 5.847 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -12.042 -15.607 7.814 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -10.196 -19.246 6.474 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -12.639 -16.701 9.960 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -10.802 -20.343 8.614 1.00 16.66 H new ATOM 0 HZ PHE A 15 -12.024 -19.070 10.358 1.00 16.66 H new ATOM 246 N LYS A 16 -13.273 -14.922 5.053 1.00 16.66 N ATOM 247 CA LYS A 16 -14.472 -14.207 5.573 1.00 16.66 C ATOM 248 C LYS A 16 -15.721 -14.736 4.867 1.00 16.66 C ATOM 249 O LYS A 16 -16.793 -14.785 5.436 1.00 16.66 O ATOM 250 CB LYS A 16 -14.330 -12.708 5.303 1.00 50.00 C ATOM 251 CG LYS A 16 -13.484 -12.071 6.407 1.00 50.00 C ATOM 252 CD LYS A 16 -13.594 -10.548 6.318 1.00 50.00 C ATOM 253 CE LYS A 16 -12.561 -9.906 7.244 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.752 -8.428 7.252 1.00 50.00 N ATOM 0 H LYS A 16 -12.612 -14.344 4.534 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.560 -14.374 6.646 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.863 -12.545 4.332 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.313 -12.239 5.267 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.823 -12.414 7.384 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.443 -12.378 6.305 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -13.431 -10.221 5.291 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.598 -10.228 6.599 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -12.666 -10.302 8.254 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.553 -10.151 6.908 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -12.049 -7.991 7.882 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -12.631 -8.057 6.288 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.709 -8.203 7.592 1.00 50.00 H new ATOM 268 N ARG A 17 -15.590 -15.138 3.633 1.00 16.66 N ATOM 269 CA ARG A 17 -16.768 -15.668 2.896 1.00 16.66 C ATOM 270 C ARG A 17 -17.149 -17.031 3.472 1.00 16.66 C ATOM 271 O ARG A 17 -18.308 -17.396 3.520 1.00 16.66 O ATOM 272 CB ARG A 17 -16.418 -15.820 1.416 1.00 16.66 C ATOM 273 CG ARG A 17 -16.294 -14.436 0.778 1.00 16.66 C ATOM 274 CD ARG A 17 -16.196 -14.585 -0.739 1.00 50.00 C ATOM 275 NE ARG A 17 -15.453 -13.424 -1.304 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.800 -13.552 -2.427 1.00 50.00 C ATOM 277 NH1 ARG A 17 -14.061 -14.608 -2.636 1.00 50.00 N ATOM 278 NH2 ARG A 17 -14.885 -12.624 -3.340 1.00 50.00 N ATOM 0 H ARG A 17 -14.718 -15.122 3.104 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.606 -14.979 3.000 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.482 -16.368 1.307 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -17.188 -16.400 0.907 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -17.157 -13.824 1.040 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.412 -13.924 1.162 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.686 -15.515 -0.992 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.193 -14.639 -1.175 1.00 50.00 H new ATOM 0 HE ARG A 17 -15.455 -12.530 -0.814 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -13.994 -15.333 -1.922 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -13.551 -14.708 -3.514 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -15.462 -11.799 -3.176 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -14.375 -12.724 -4.218 1.00 50.00 H new ATOM 292 N PHE A 18 -16.181 -17.787 3.910 1.00 16.66 N ATOM 293 CA PHE A 18 -16.485 -19.127 4.484 1.00 16.66 C ATOM 294 C PHE A 18 -17.150 -18.958 5.850 1.00 16.66 C ATOM 295 O PHE A 18 -18.175 -19.546 6.130 1.00 16.66 O ATOM 296 CB PHE A 18 -15.190 -19.925 4.634 1.00 16.66 C ATOM 297 CG PHE A 18 -14.777 -20.472 3.288 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.460 -21.562 2.735 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.712 -19.888 2.592 1.00 16.66 C ATOM 300 CE1 PHE A 18 -15.078 -22.068 1.488 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.330 -20.395 1.344 1.00 16.66 C ATOM 302 CZ PHE A 18 -14.013 -21.485 0.792 1.00 16.66 C ATOM 0 H PHE A 18 -15.193 -17.535 3.895 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.162 -19.663 3.818 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.402 -19.288 5.037 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.333 -20.741 5.342 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.282 -22.012 3.271 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.185 -19.047 3.018 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.605 -22.909 1.062 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.508 -19.945 0.807 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.718 -21.876 -0.171 1.00 16.66 H new ATOM 312 N ASP A 19 -16.580 -18.153 6.703 1.00 16.66 N ATOM 313 CA ASP A 19 -17.192 -17.945 8.046 1.00 16.66 C ATOM 314 C ASP A 19 -18.621 -17.426 7.858 1.00 16.66 C ATOM 315 O ASP A 19 -18.836 -16.279 7.523 1.00 16.66 O ATOM 316 CB ASP A 19 -16.361 -16.929 8.838 1.00 16.66 C ATOM 317 CG ASP A 19 -16.628 -17.116 10.326 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.398 -17.996 10.654 1.00 16.66 O ATOM 319 OD2 ASP A 19 -16.052 -16.381 11.111 1.00 16.66 O ATOM 0 H ASP A 19 -15.720 -17.632 6.530 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.214 -18.884 8.599 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.300 -17.065 8.627 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.619 -15.914 8.535 1.00 16.66 H new ATOM 324 N ALA A 20 -19.599 -18.275 8.043 1.00 16.66 N ATOM 325 CA ALA A 20 -21.018 -17.851 7.845 1.00 16.66 C ATOM 326 C ALA A 20 -21.441 -16.808 8.887 1.00 16.66 C ATOM 327 O ALA A 20 -21.955 -15.762 8.543 1.00 16.66 O ATOM 328 CB ALA A 20 -21.928 -19.074 7.964 1.00 50.00 C ATOM 0 H ALA A 20 -19.475 -19.248 8.324 1.00 16.66 H new ATOM 0 HA ALA A 20 -21.106 -17.402 6.856 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.965 -18.771 7.820 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.655 -19.806 7.204 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.813 -19.518 8.953 1.00 50.00 H new ATOM 334 N ASN A 21 -21.247 -17.075 10.151 1.00 16.66 N ATOM 335 CA ASN A 21 -21.666 -16.077 11.177 1.00 16.66 C ATOM 336 C ASN A 21 -20.530 -15.083 11.423 1.00 16.66 C ATOM 337 O ASN A 21 -20.750 -13.968 11.853 1.00 16.66 O ATOM 338 CB ASN A 21 -22.049 -16.789 12.481 1.00 16.66 C ATOM 339 CG ASN A 21 -20.831 -17.473 13.105 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.913 -17.855 12.407 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.814 -17.639 14.398 1.00 16.66 N ATOM 0 H ASN A 21 -20.823 -17.929 10.514 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.538 -15.533 10.814 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.467 -16.069 13.184 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.825 -17.528 12.282 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -20.019 -18.098 14.843 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.596 -17.310 14.965 1.00 16.66 H new ATOM 348 N GLY A 22 -19.320 -15.471 11.139 1.00 16.66 N ATOM 349 CA GLY A 22 -18.175 -14.538 11.340 1.00 16.66 C ATOM 350 C GLY A 22 -17.696 -14.603 12.790 1.00 16.66 C ATOM 351 O GLY A 22 -17.375 -13.596 13.391 1.00 16.66 O ATOM 0 H GLY A 22 -19.073 -16.392 10.777 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.359 -14.800 10.667 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.477 -13.520 11.093 1.00 16.66 H new ATOM 355 N ASP A 23 -17.629 -15.775 13.357 1.00 16.66 N ATOM 356 CA ASP A 23 -17.152 -15.883 14.765 1.00 16.66 C ATOM 357 C ASP A 23 -15.659 -16.228 14.768 1.00 16.66 C ATOM 358 O ASP A 23 -15.064 -16.447 15.804 1.00 16.66 O ATOM 359 CB ASP A 23 -17.948 -16.957 15.518 1.00 16.66 C ATOM 360 CG ASP A 23 -17.751 -18.328 14.867 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.345 -18.370 13.720 1.00 16.66 O ATOM 362 OD2 ASP A 23 -18.025 -19.316 15.529 1.00 16.66 O ATOM 0 H ASP A 23 -17.882 -16.657 12.911 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.304 -14.929 15.270 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.626 -16.993 16.559 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -19.007 -16.698 15.520 1.00 16.66 H new ATOM 367 N GLY A 24 -15.047 -16.257 13.612 1.00 16.66 N ATOM 368 CA GLY A 24 -13.588 -16.561 13.545 1.00 16.66 C ATOM 369 C GLY A 24 -13.364 -18.050 13.269 1.00 16.66 C ATOM 370 O GLY A 24 -12.256 -18.477 13.017 1.00 16.66 O ATOM 0 H GLY A 24 -15.495 -16.083 12.712 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -13.122 -15.965 12.760 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -13.109 -16.283 14.484 1.00 16.66 H new ATOM 374 N LYS A 25 -14.393 -18.849 13.325 1.00 16.66 N ATOM 375 CA LYS A 25 -14.209 -20.305 13.075 1.00 16.66 C ATOM 376 C LYS A 25 -15.220 -20.788 12.034 1.00 16.66 C ATOM 377 O LYS A 25 -16.368 -20.375 12.017 1.00 16.66 O ATOM 378 CB LYS A 25 -14.408 -21.080 14.382 1.00 50.00 C ATOM 379 CG LYS A 25 -15.878 -21.018 14.794 1.00 50.00 C ATOM 380 CD LYS A 25 -16.130 -22.024 15.919 1.00 50.00 C ATOM 381 CE LYS A 25 -17.634 -22.256 16.066 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.237 -22.474 14.720 1.00 50.00 N ATOM 0 H LYS A 25 -15.349 -18.558 13.532 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.200 -20.478 12.700 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -14.099 -22.117 14.252 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.781 -20.657 15.167 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.132 -20.012 15.127 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.517 -21.242 13.940 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.626 -22.965 15.700 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.715 -21.651 16.855 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -17.819 -23.121 16.703 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -18.100 -21.398 16.550 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.225 -22.781 14.828 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -18.208 -21.587 14.179 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.700 -23.206 14.213 1.00 50.00 H new ATOM 396 N ILE A 26 -14.795 -21.670 11.169 1.00 16.66 N ATOM 397 CA ILE A 26 -15.712 -22.200 10.125 1.00 16.66 C ATOM 398 C ILE A 26 -15.983 -23.682 10.390 1.00 16.66 C ATOM 399 O ILE A 26 -15.082 -24.453 10.657 1.00 16.66 O ATOM 400 CB ILE A 26 -15.063 -22.041 8.750 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.366 -20.683 8.670 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.140 -22.124 7.666 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.841 -20.468 7.251 1.00 16.66 C ATOM 0 H ILE A 26 -13.847 -22.046 11.143 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.651 -21.647 10.151 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.332 -22.835 8.599 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -15.062 -19.888 8.937 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.544 -20.640 9.385 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.678 -22.011 6.685 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.639 -23.091 7.723 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.870 -21.329 7.817 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.343 -19.500 7.190 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.132 -21.257 7.002 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.673 -20.493 6.547 1.00 16.66 H new ATOM 415 N SER A 27 -17.219 -24.085 10.311 1.00 16.66 N ATOM 416 CA SER A 27 -17.559 -25.513 10.549 1.00 16.66 C ATOM 417 C SER A 27 -17.876 -26.171 9.210 1.00 16.66 C ATOM 418 O SER A 27 -18.062 -25.503 8.212 1.00 16.66 O ATOM 419 CB SER A 27 -18.782 -25.601 11.463 1.00 50.00 C ATOM 420 OG SER A 27 -19.963 -25.456 10.688 1.00 50.00 O ATOM 0 H SER A 27 -18.012 -23.483 10.091 1.00 16.66 H new ATOM 0 HA SER A 27 -16.719 -26.021 11.024 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.792 -26.558 11.984 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.737 -24.823 12.225 1.00 50.00 H new ATOM 0 HG SER A 27 -20.747 -25.514 11.273 1.00 50.00 H new ATOM 426 N ALA A 28 -17.944 -27.471 9.170 1.00 16.66 N ATOM 427 CA ALA A 28 -18.254 -28.146 7.883 1.00 16.66 C ATOM 428 C ALA A 28 -19.491 -27.495 7.271 1.00 16.66 C ATOM 429 O ALA A 28 -19.533 -27.201 6.094 1.00 16.66 O ATOM 430 CB ALA A 28 -18.519 -29.633 8.129 1.00 50.00 C ATOM 0 H ALA A 28 -17.799 -28.091 9.967 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.409 -28.047 7.201 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.746 -30.124 7.182 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.635 -30.092 8.573 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.365 -29.744 8.807 1.00 50.00 H new ATOM 436 N ALA A 29 -20.497 -27.268 8.062 1.00 16.66 N ATOM 437 CA ALA A 29 -21.733 -26.634 7.530 1.00 16.66 C ATOM 438 C ALA A 29 -21.388 -25.278 6.917 1.00 16.66 C ATOM 439 O ALA A 29 -21.916 -24.899 5.889 1.00 16.66 O ATOM 440 CB ALA A 29 -22.740 -26.440 8.666 1.00 50.00 C ATOM 0 H ALA A 29 -20.518 -27.494 9.056 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.169 -27.277 6.766 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.645 -25.975 8.275 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -22.988 -27.408 9.101 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.305 -25.798 9.432 1.00 50.00 H new ATOM 446 N GLU A 30 -20.504 -24.544 7.533 1.00 16.66 N ATOM 447 CA GLU A 30 -20.129 -23.217 6.975 1.00 16.66 C ATOM 448 C GLU A 30 -19.220 -23.418 5.765 1.00 16.66 C ATOM 449 O GLU A 30 -19.488 -22.925 4.688 1.00 16.66 O ATOM 450 CB GLU A 30 -19.401 -22.393 8.042 1.00 16.66 C ATOM 451 CG GLU A 30 -20.359 -22.096 9.200 1.00 16.66 C ATOM 452 CD GLU A 30 -19.657 -21.217 10.240 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.634 -21.626 10.740 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.156 -20.149 10.522 1.00 16.66 O ATOM 0 H GLU A 30 -20.027 -24.805 8.396 1.00 16.66 H new ATOM 0 HA GLU A 30 -21.028 -22.683 6.668 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.531 -22.938 8.407 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -19.035 -21.461 7.610 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.251 -21.592 8.827 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.688 -23.028 9.660 1.00 16.66 H new ATOM 461 N LEU A 31 -18.150 -24.141 5.929 1.00 16.66 N ATOM 462 CA LEU A 31 -17.230 -24.372 4.781 1.00 16.66 C ATOM 463 C LEU A 31 -17.981 -25.129 3.688 1.00 16.66 C ATOM 464 O LEU A 31 -17.872 -24.825 2.517 1.00 16.66 O ATOM 465 CB LEU A 31 -16.029 -25.199 5.247 1.00 16.66 C ATOM 466 CG LEU A 31 -15.224 -25.659 4.030 1.00 16.66 C ATOM 467 CD1 LEU A 31 -14.741 -24.436 3.247 1.00 16.66 C ATOM 468 CD2 LEU A 31 -14.016 -26.475 4.498 1.00 16.66 C ATOM 0 H LEU A 31 -17.872 -24.582 6.806 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.878 -23.417 4.391 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.400 -24.605 5.909 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.368 -26.062 5.819 1.00 16.66 H new ATOM 0 HG LEU A 31 -15.853 -26.276 3.389 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -14.167 -24.763 2.380 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -15.601 -23.854 2.915 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -14.111 -23.819 3.888 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -13.441 -26.804 3.632 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -13.386 -25.858 5.139 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -14.359 -27.345 5.057 1.00 16.66 H new ATOM 480 N GLY A 32 -18.749 -26.112 4.065 1.00 16.66 N ATOM 481 CA GLY A 32 -19.515 -26.887 3.054 1.00 16.66 C ATOM 482 C GLY A 32 -20.520 -25.963 2.369 1.00 16.66 C ATOM 483 O GLY A 32 -20.674 -25.981 1.163 1.00 16.66 O ATOM 0 H GLY A 32 -18.879 -26.412 5.031 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.837 -27.316 2.317 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.034 -27.718 3.532 1.00 16.66 H new ATOM 487 N GLU A 33 -21.210 -25.159 3.128 1.00 16.66 N ATOM 488 CA GLU A 33 -22.208 -24.239 2.520 1.00 16.66 C ATOM 489 C GLU A 33 -21.519 -23.334 1.503 1.00 16.66 C ATOM 490 O GLU A 33 -22.028 -23.096 0.427 1.00 16.66 O ATOM 491 CB GLU A 33 -22.847 -23.385 3.617 1.00 50.00 C ATOM 492 CG GLU A 33 -24.082 -24.102 4.168 1.00 50.00 C ATOM 493 CD GLU A 33 -24.906 -23.125 5.008 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.514 -21.974 5.097 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.917 -23.545 5.548 1.00 50.00 O ATOM 0 H GLU A 33 -21.125 -25.100 4.143 1.00 16.66 H new ATOM 0 HA GLU A 33 -22.980 -24.822 2.017 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.130 -23.206 4.418 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.127 -22.411 3.217 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.685 -24.492 3.348 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.780 -24.955 4.775 1.00 50.00 H new ATOM 502 N ALA A 34 -20.360 -22.836 1.825 1.00 16.66 N ATOM 503 CA ALA A 34 -19.643 -21.962 0.860 1.00 16.66 C ATOM 504 C ALA A 34 -19.068 -22.839 -0.248 1.00 16.66 C ATOM 505 O ALA A 34 -19.092 -22.491 -1.412 1.00 16.66 O ATOM 506 CB ALA A 34 -18.509 -21.225 1.576 1.00 50.00 C ATOM 0 H ALA A 34 -19.880 -22.996 2.711 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.329 -21.227 0.438 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.985 -20.585 0.866 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.922 -20.614 2.379 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.811 -21.950 1.994 1.00 50.00 H new ATOM 512 N LEU A 35 -18.550 -23.978 0.113 1.00 99.99 N ATOM 513 CA LEU A 35 -17.970 -24.894 -0.904 1.00 99.99 C ATOM 514 C LEU A 35 -19.052 -25.299 -1.905 1.00 99.99 C ATOM 515 O LEU A 35 -18.777 -25.535 -3.065 1.00 99.99 O ATOM 516 CB LEU A 35 -17.422 -26.142 -0.210 1.00 99.99 C ATOM 517 CG LEU A 35 -15.946 -25.929 0.132 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.373 -27.211 0.739 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.173 -25.577 -1.141 1.00 99.99 C ATOM 0 H LEU A 35 -18.504 -24.315 1.075 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.162 -24.387 -1.431 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -17.991 -26.346 0.697 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.534 -27.011 -0.859 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.853 -25.114 0.850 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.321 -27.060 0.983 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -15.923 -27.462 1.646 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.465 -28.026 0.021 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.121 -25.425 -0.898 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.265 -26.391 -1.860 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.581 -24.663 -1.574 1.00 99.99 H new ATOM 531 N LYS A 36 -20.282 -25.382 -1.474 1.00 99.99 N ATOM 532 CA LYS A 36 -21.370 -25.774 -2.414 1.00 99.99 C ATOM 533 C LYS A 36 -21.244 -24.966 -3.708 1.00 99.99 C ATOM 534 O LYS A 36 -21.710 -25.376 -4.753 1.00 99.99 O ATOM 535 CB LYS A 36 -22.727 -25.495 -1.768 1.00 99.99 C ATOM 536 CG LYS A 36 -23.343 -26.811 -1.289 1.00 99.99 C ATOM 537 CD LYS A 36 -24.618 -26.520 -0.496 1.00 99.99 C ATOM 538 CE LYS A 36 -24.620 -27.350 0.789 1.00 99.99 C ATOM 539 NZ LYS A 36 -25.879 -27.094 1.543 1.00 99.99 N ATOM 0 H LYS A 36 -20.579 -25.196 -0.516 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.288 -26.837 -2.641 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.608 -24.810 -0.929 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.390 -25.010 -2.484 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -23.571 -27.450 -2.142 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -22.631 -27.353 -0.667 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -24.675 -25.458 -0.256 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.495 -26.759 -1.097 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -24.536 -28.410 0.550 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -23.757 -27.092 1.403 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -25.881 -27.658 2.417 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -25.941 -26.084 1.783 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -26.695 -27.361 0.957 1.00 99.99 H new ATOM 553 N THR A 37 -20.617 -23.823 -3.648 1.00 99.99 N ATOM 554 CA THR A 37 -20.464 -22.994 -4.876 1.00 99.99 C ATOM 555 C THR A 37 -19.868 -23.852 -5.991 1.00 99.99 C ATOM 556 O THR A 37 -20.020 -23.563 -7.160 1.00 99.99 O ATOM 557 CB THR A 37 -19.531 -21.815 -4.582 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.611 -20.874 -5.643 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.092 -22.319 -4.451 1.00 99.99 C ATOM 0 H THR A 37 -20.205 -23.428 -2.803 1.00 99.99 H new ATOM 0 HA THR A 37 -21.438 -22.615 -5.187 1.00 99.99 H new ATOM 0 HB THR A 37 -19.832 -21.338 -3.649 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.288 -20.002 -5.332 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.430 -21.479 -4.242 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.032 -23.040 -3.636 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.788 -22.798 -5.382 1.00 99.99 H new ATOM 567 N LEU A 38 -19.192 -24.908 -5.633 1.00 16.66 N ATOM 568 CA LEU A 38 -18.588 -25.790 -6.671 1.00 16.66 C ATOM 569 C LEU A 38 -19.701 -26.401 -7.525 1.00 16.66 C ATOM 570 O LEU A 38 -19.529 -26.652 -8.701 1.00 16.66 O ATOM 571 CB LEU A 38 -17.791 -26.907 -5.994 1.00 50.00 C ATOM 572 CG LEU A 38 -16.537 -26.317 -5.344 1.00 50.00 C ATOM 573 CD1 LEU A 38 -15.829 -27.400 -4.526 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.592 -25.801 -6.431 1.00 50.00 C ATOM 0 H LEU A 38 -19.032 -25.198 -4.668 1.00 16.66 H new ATOM 0 HA LEU A 38 -17.921 -25.204 -7.304 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.405 -27.402 -5.242 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.512 -27.665 -6.726 1.00 50.00 H new ATOM 0 HG LEU A 38 -16.821 -25.493 -4.689 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -14.936 -26.981 -4.063 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.501 -27.768 -3.751 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.545 -28.224 -5.181 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -14.699 -25.381 -5.968 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.308 -26.624 -7.087 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.095 -25.030 -7.014 1.00 50.00 H new ATOM 586 N GLY A 39 -20.842 -26.639 -6.939 1.00 16.66 N ATOM 587 CA GLY A 39 -21.970 -27.230 -7.713 1.00 16.66 C ATOM 588 C GLY A 39 -21.632 -28.673 -8.096 1.00 16.66 C ATOM 589 O GLY A 39 -22.348 -29.311 -8.842 1.00 16.66 O ATOM 0 H GLY A 39 -21.042 -26.450 -5.957 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -22.884 -27.206 -7.119 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.157 -26.640 -8.610 1.00 16.66 H new ATOM 593 N SER A 40 -20.545 -29.193 -7.595 1.00 16.66 N ATOM 594 CA SER A 40 -20.166 -30.592 -7.935 1.00 16.66 C ATOM 595 C SER A 40 -19.294 -31.174 -6.821 1.00 16.66 C ATOM 596 O SER A 40 -18.195 -31.632 -7.057 1.00 16.66 O ATOM 597 CB SER A 40 -19.384 -30.597 -9.249 1.00 16.66 C ATOM 598 OG SER A 40 -18.642 -31.802 -9.353 1.00 16.66 O ATOM 0 H SER A 40 -19.904 -28.710 -6.966 1.00 16.66 H new ATOM 0 HA SER A 40 -21.066 -31.197 -8.041 1.00 16.66 H new ATOM 0 HB2 SER A 40 -20.068 -30.505 -10.092 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.713 -29.739 -9.288 1.00 16.66 H new ATOM 0 HG SER A 40 -17.893 -31.781 -8.721 1.00 16.66 H new ATOM 604 N ILE A 41 -19.775 -31.161 -5.608 1.00 16.66 N ATOM 605 CA ILE A 41 -18.969 -31.716 -4.484 1.00 16.66 C ATOM 606 C ILE A 41 -19.894 -32.432 -3.495 1.00 16.66 C ATOM 607 O ILE A 41 -21.100 -32.428 -3.642 1.00 16.66 O ATOM 608 CB ILE A 41 -18.229 -30.576 -3.772 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.082 -31.152 -2.937 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.193 -29.821 -2.852 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.002 -30.086 -2.748 1.00 16.66 C ATOM 0 H ILE A 41 -20.689 -30.791 -5.347 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.242 -32.428 -4.874 1.00 16.66 H new ATOM 0 HB ILE A 41 -17.831 -29.890 -4.520 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.455 -31.483 -1.968 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.661 -32.027 -3.432 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.660 -29.013 -2.350 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.009 -29.405 -3.443 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.597 -30.507 -2.107 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.186 -30.496 -2.154 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -15.622 -29.776 -3.722 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.427 -29.224 -2.234 1.00 16.66 H new ATOM 623 N THR A 42 -19.336 -33.041 -2.486 1.00 16.66 N ATOM 624 CA THR A 42 -20.176 -33.751 -1.483 1.00 16.66 C ATOM 625 C THR A 42 -19.800 -33.255 -0.092 1.00 16.66 C ATOM 626 O THR A 42 -18.758 -32.660 0.102 1.00 16.66 O ATOM 627 CB THR A 42 -19.928 -35.269 -1.561 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.147 -35.682 -0.448 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.185 -35.619 -2.853 1.00 16.66 C ATOM 0 H THR A 42 -18.331 -33.077 -2.313 1.00 16.66 H new ATOM 0 HA THR A 42 -21.228 -33.553 -1.687 1.00 16.66 H new ATOM 0 HB THR A 42 -20.890 -35.782 -1.550 1.00 16.66 H new ATOM 0 HG1 THR A 42 -18.991 -36.648 -0.498 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.016 -36.695 -2.896 1.00 16.66 H new ATOM 0 HG22 THR A 42 -19.783 -35.311 -3.711 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.227 -35.100 -2.874 1.00 16.66 H new ATOM 637 N PRO A 43 -20.654 -33.522 0.900 1.00 16.66 N ATOM 638 CA PRO A 43 -20.394 -33.119 2.279 1.00 16.66 C ATOM 639 C PRO A 43 -19.225 -33.917 2.850 1.00 16.66 C ATOM 640 O PRO A 43 -18.454 -33.433 3.654 1.00 16.66 O ATOM 641 CB PRO A 43 -21.691 -33.471 3.008 1.00 50.00 C ATOM 642 CG PRO A 43 -22.301 -34.551 2.181 1.00 50.00 C ATOM 643 CD PRO A 43 -21.933 -34.238 0.758 1.00 50.00 C ATOM 0 HA PRO A 43 -20.128 -32.066 2.375 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.495 -33.812 4.025 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.351 -32.607 3.083 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -21.923 -35.530 2.476 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.383 -34.576 2.308 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -21.825 -35.143 0.160 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.689 -33.622 0.271 1.00 50.00 H new ATOM 651 N ASP A 44 -19.098 -35.149 2.437 1.00 16.66 N ATOM 652 CA ASP A 44 -17.990 -36.001 2.947 1.00 16.66 C ATOM 653 C ASP A 44 -16.645 -35.446 2.476 1.00 16.66 C ATOM 654 O ASP A 44 -15.624 -35.678 3.091 1.00 16.66 O ATOM 655 CB ASP A 44 -18.163 -37.428 2.424 1.00 50.00 C ATOM 656 CG ASP A 44 -19.523 -37.970 2.864 1.00 50.00 C ATOM 657 OD1 ASP A 44 -20.116 -37.380 3.753 1.00 50.00 O ATOM 658 OD2 ASP A 44 -19.951 -38.966 2.305 1.00 50.00 O ATOM 0 H ASP A 44 -19.718 -35.602 1.765 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.014 -36.004 4.037 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.089 -37.440 1.337 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.365 -38.066 2.804 1.00 50.00 H new ATOM 663 N GLU A 45 -16.627 -34.707 1.397 1.00 16.66 N ATOM 664 CA GLU A 45 -15.339 -34.143 0.915 1.00 16.66 C ATOM 665 C GLU A 45 -15.042 -32.877 1.708 1.00 16.66 C ATOM 666 O GLU A 45 -13.916 -32.601 2.070 1.00 16.66 O ATOM 667 CB GLU A 45 -15.452 -33.804 -0.573 1.00 16.66 C ATOM 668 CG GLU A 45 -15.579 -35.096 -1.382 1.00 16.66 C ATOM 669 CD GLU A 45 -15.403 -34.785 -2.870 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.168 -33.631 -3.190 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.508 -35.705 -3.664 1.00 16.66 O ATOM 0 H GLU A 45 -17.445 -34.473 0.834 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.537 -34.868 1.052 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.319 -33.167 -0.747 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.575 -33.244 -0.897 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -14.827 -35.816 -1.058 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.553 -35.553 -1.208 1.00 16.66 H new ATOM 678 N VAL A 46 -16.057 -32.110 1.988 1.00 16.66 N ATOM 679 CA VAL A 46 -15.851 -30.863 2.769 1.00 16.66 C ATOM 680 C VAL A 46 -15.463 -31.230 4.199 1.00 16.66 C ATOM 681 O VAL A 46 -14.641 -30.587 4.819 1.00 16.66 O ATOM 682 CB VAL A 46 -17.147 -30.050 2.779 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.048 -28.936 3.826 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.362 -29.434 1.397 1.00 50.00 C ATOM 0 H VAL A 46 -17.021 -32.294 1.709 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.058 -30.268 2.316 1.00 16.66 H new ATOM 0 HB VAL A 46 -17.985 -30.701 3.026 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -17.972 -28.358 3.831 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -16.889 -29.375 4.811 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.212 -28.281 3.582 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.284 -28.853 1.397 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.523 -28.782 1.155 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.433 -30.227 0.652 1.00 50.00 H new ATOM 694 N LYS A 47 -16.047 -32.272 4.724 1.00 16.66 N ATOM 695 CA LYS A 47 -15.711 -32.695 6.111 1.00 16.66 C ATOM 696 C LYS A 47 -14.258 -33.169 6.147 1.00 16.66 C ATOM 697 O LYS A 47 -13.524 -32.890 7.074 1.00 16.66 O ATOM 698 CB LYS A 47 -16.635 -33.838 6.538 1.00 16.66 C ATOM 699 CG LYS A 47 -18.051 -33.300 6.752 1.00 16.66 C ATOM 700 CD LYS A 47 -18.966 -34.440 7.207 1.00 16.66 C ATOM 701 CE LYS A 47 -20.401 -33.924 7.334 1.00 50.00 C ATOM 702 NZ LYS A 47 -21.348 -34.954 6.820 1.00 50.00 N ATOM 0 H LYS A 47 -16.743 -32.849 4.251 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.842 -31.856 6.794 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.642 -34.617 5.776 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.266 -34.294 7.457 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -18.041 -32.507 7.499 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.429 -32.863 5.828 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.926 -35.261 6.491 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.624 -34.835 8.164 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.626 -33.696 8.376 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -20.516 -32.997 6.773 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -22.323 -34.603 6.906 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -21.138 -35.151 5.821 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -21.244 -35.828 7.374 1.00 50.00 H new ATOM 716 N HIS A 48 -13.839 -33.879 5.139 1.00 16.66 N ATOM 717 CA HIS A 48 -12.434 -34.370 5.102 1.00 16.66 C ATOM 718 C HIS A 48 -11.485 -33.174 5.012 1.00 16.66 C ATOM 719 O HIS A 48 -10.446 -33.144 5.643 1.00 16.66 O ATOM 720 CB HIS A 48 -12.238 -35.269 3.880 1.00 16.66 C ATOM 721 CG HIS A 48 -10.777 -35.587 3.720 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.189 -35.758 2.477 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.773 -35.769 4.638 1.00 16.66 C ATOM 724 CE1 HIS A 48 -8.887 -36.030 2.679 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.580 -36.048 3.979 1.00 50.00 N ATOM 0 H HIS A 48 -14.411 -34.142 4.336 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.222 -34.939 6.007 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.811 -36.189 3.997 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.613 -34.772 2.985 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -9.891 -35.705 5.710 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.176 -36.212 1.886 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.668 -36.228 4.398 1.00 50.00 H new ATOM 733 N MET A 49 -11.835 -32.182 4.238 1.00 16.66 N ATOM 734 CA MET A 49 -10.955 -30.992 4.118 1.00 16.66 C ATOM 735 C MET A 49 -10.742 -30.394 5.506 1.00 16.66 C ATOM 736 O MET A 49 -9.647 -30.024 5.877 1.00 16.66 O ATOM 737 CB MET A 49 -11.623 -29.959 3.213 1.00 16.66 C ATOM 738 CG MET A 49 -11.337 -30.300 1.750 1.00 16.66 C ATOM 739 SD MET A 49 -11.530 -28.814 0.735 1.00 16.66 S ATOM 740 CE MET A 49 -12.497 -29.573 -0.593 1.00 16.66 C ATOM 0 H MET A 49 -12.692 -32.147 3.686 1.00 16.66 H new ATOM 0 HA MET A 49 -9.995 -31.280 3.689 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.698 -29.946 3.391 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.249 -28.962 3.445 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.326 -30.694 1.648 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.018 -31.079 1.407 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.733 -28.821 -1.346 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.919 -30.376 -1.050 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.422 -29.979 -0.183 1.00 16.66 H new ATOM 750 N MET A 50 -11.788 -30.306 6.276 1.00 16.66 N ATOM 751 CA MET A 50 -11.661 -29.741 7.645 1.00 16.66 C ATOM 752 C MET A 50 -10.718 -30.617 8.466 1.00 16.66 C ATOM 753 O MET A 50 -9.815 -30.136 9.116 1.00 16.66 O ATOM 754 CB MET A 50 -13.038 -29.712 8.303 1.00 16.66 C ATOM 755 CG MET A 50 -13.807 -28.480 7.825 1.00 16.66 C ATOM 756 SD MET A 50 -15.220 -28.194 8.915 1.00 16.66 S ATOM 757 CE MET A 50 -14.302 -27.439 10.279 1.00 50.00 C ATOM 0 H MET A 50 -12.729 -30.602 6.015 1.00 16.66 H new ATOM 0 HA MET A 50 -11.260 -28.729 7.593 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.591 -30.618 8.054 1.00 16.66 H new ATOM 0 HB3 MET A 50 -12.934 -29.690 9.388 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.153 -27.608 7.823 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.148 -28.626 6.800 1.00 16.66 H new ATOM 0 HE1 MET A 50 -15.003 -27.049 11.017 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.663 -28.188 10.746 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.687 -26.624 9.897 1.00 50.00 H new ATOM 767 N ALA A 51 -10.919 -31.901 8.436 1.00 16.66 N ATOM 768 CA ALA A 51 -10.031 -32.813 9.209 1.00 16.66 C ATOM 769 C ALA A 51 -8.584 -32.604 8.759 1.00 16.66 C ATOM 770 O ALA A 51 -7.649 -32.933 9.462 1.00 16.66 O ATOM 771 CB ALA A 51 -10.440 -34.266 8.954 1.00 50.00 C ATOM 0 H ALA A 51 -11.661 -32.362 7.909 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.121 -32.596 10.273 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.789 -34.932 9.520 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.473 -34.414 9.269 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.350 -34.488 7.891 1.00 50.00 H new ATOM 777 N GLU A 52 -8.397 -32.054 7.591 1.00 16.66 N ATOM 778 CA GLU A 52 -7.014 -31.817 7.091 1.00 16.66 C ATOM 779 C GLU A 52 -6.619 -30.370 7.375 1.00 16.66 C ATOM 780 O GLU A 52 -5.485 -30.072 7.693 1.00 16.66 O ATOM 781 CB GLU A 52 -6.967 -32.075 5.585 1.00 16.66 C ATOM 782 CG GLU A 52 -6.845 -33.579 5.330 1.00 16.66 C ATOM 783 CD GLU A 52 -5.366 -33.969 5.296 1.00 16.66 C ATOM 784 OE1 GLU A 52 -4.538 -33.074 5.263 1.00 16.66 O ATOM 785 OE2 GLU A 52 -5.086 -35.157 5.305 1.00 16.66 O ATOM 0 H GLU A 52 -9.143 -31.758 6.961 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.320 -32.490 7.594 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -7.868 -31.686 5.110 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.121 -31.550 5.141 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -7.361 -34.135 6.112 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.323 -33.839 4.386 1.00 16.66 H new ATOM 792 N ILE A 53 -7.552 -29.467 7.266 1.00 16.66 N ATOM 793 CA ILE A 53 -7.249 -28.035 7.529 1.00 16.66 C ATOM 794 C ILE A 53 -7.281 -27.773 9.035 1.00 16.66 C ATOM 795 O ILE A 53 -6.552 -26.948 9.551 1.00 16.66 O ATOM 796 CB ILE A 53 -8.305 -27.176 6.841 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.264 -27.435 5.336 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.021 -25.703 7.123 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.400 -26.672 4.656 1.00 50.00 C ATOM 0 H ILE A 53 -8.518 -29.662 7.004 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.260 -27.789 7.144 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.294 -27.430 7.223 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.304 -27.119 4.928 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.359 -28.503 5.137 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.774 -25.087 6.632 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.051 -25.526 8.198 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.034 -25.443 6.740 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.371 -26.857 3.582 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.356 -27.010 5.056 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.285 -25.604 4.844 1.00 50.00 H new ATOM 811 N ASP A 54 -8.118 -28.476 9.743 1.00 16.66 N ATOM 812 CA ASP A 54 -8.209 -28.288 11.214 1.00 16.66 C ATOM 813 C ASP A 54 -6.844 -28.589 11.842 1.00 16.66 C ATOM 814 O ASP A 54 -6.461 -29.731 12.004 1.00 16.66 O ATOM 815 CB ASP A 54 -9.265 -29.253 11.755 1.00 16.66 C ATOM 816 CG ASP A 54 -9.836 -28.725 13.072 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.429 -27.655 13.485 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.680 -29.398 13.640 1.00 16.66 O ATOM 0 H ASP A 54 -8.749 -29.180 9.360 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.490 -27.263 11.457 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.066 -29.374 11.025 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.824 -30.237 11.910 1.00 16.66 H new ATOM 823 N THR A 55 -6.098 -27.569 12.175 1.00 16.66 N ATOM 824 CA THR A 55 -4.746 -27.786 12.769 1.00 16.66 C ATOM 825 C THR A 55 -4.861 -28.338 14.191 1.00 16.66 C ATOM 826 O THR A 55 -4.189 -29.283 14.555 1.00 16.66 O ATOM 827 CB THR A 55 -3.992 -26.455 12.808 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.747 -25.507 13.549 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.786 -25.942 11.381 1.00 50.00 C ATOM 0 H THR A 55 -6.368 -26.592 12.061 1.00 16.66 H new ATOM 0 HA THR A 55 -4.208 -28.508 12.155 1.00 16.66 H new ATOM 0 HB THR A 55 -3.022 -26.600 13.284 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.695 -25.755 13.528 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.249 -24.994 11.409 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.207 -26.670 10.813 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.755 -25.796 10.903 1.00 50.00 H new ATOM 837 N ASP A 56 -5.696 -27.755 15.002 1.00 16.66 N ATOM 838 CA ASP A 56 -5.835 -28.252 16.403 1.00 16.66 C ATOM 839 C ASP A 56 -6.863 -29.385 16.445 1.00 16.66 C ATOM 840 O ASP A 56 -6.712 -30.347 17.170 1.00 16.66 O ATOM 841 CB ASP A 56 -6.275 -27.102 17.315 1.00 16.66 C ATOM 842 CG ASP A 56 -7.776 -26.853 17.154 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.185 -26.514 16.056 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.486 -27.009 18.130 1.00 16.66 O ATOM 0 H ASP A 56 -6.287 -26.960 14.760 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.875 -28.632 16.753 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.047 -27.343 18.353 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.719 -26.198 17.068 1.00 16.66 H new ATOM 849 N GLY A 57 -7.897 -29.285 15.659 1.00 16.66 N ATOM 850 CA GLY A 57 -8.922 -30.367 15.639 1.00 16.66 C ATOM 851 C GLY A 57 -10.138 -29.979 16.487 1.00 16.66 C ATOM 852 O GLY A 57 -10.821 -30.831 17.019 1.00 16.66 O ATOM 0 H GLY A 57 -8.078 -28.503 15.030 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.235 -30.559 14.613 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.488 -31.292 16.019 1.00 16.66 H new ATOM 856 N ASP A 58 -10.431 -28.712 16.616 1.00 16.66 N ATOM 857 CA ASP A 58 -11.620 -28.317 17.426 1.00 16.66 C ATOM 858 C ASP A 58 -12.882 -28.472 16.573 1.00 16.66 C ATOM 859 O ASP A 58 -13.986 -28.271 17.039 1.00 16.66 O ATOM 860 CB ASP A 58 -11.490 -26.864 17.894 1.00 50.00 C ATOM 861 CG ASP A 58 -11.649 -25.920 16.702 1.00 50.00 C ATOM 862 OD1 ASP A 58 -11.061 -26.195 15.673 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.353 -24.934 16.842 1.00 50.00 O ATOM 0 H ASP A 58 -9.906 -27.942 16.201 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.684 -28.960 18.304 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.248 -26.645 18.646 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.519 -26.709 18.365 1.00 50.00 H new ATOM 868 N GLY A 59 -12.728 -28.835 15.326 1.00 16.66 N ATOM 869 CA GLY A 59 -13.918 -29.010 14.449 1.00 16.66 C ATOM 870 C GLY A 59 -14.113 -27.764 13.583 1.00 16.66 C ATOM 871 O GLY A 59 -14.987 -27.716 12.741 1.00 16.66 O ATOM 0 H GLY A 59 -11.829 -29.017 14.880 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.788 -29.887 13.815 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.806 -29.184 15.056 1.00 16.66 H new ATOM 875 N PHE A 60 -13.318 -26.749 13.787 1.00 16.66 N ATOM 876 CA PHE A 60 -13.484 -25.513 12.972 1.00 16.66 C ATOM 877 C PHE A 60 -12.133 -25.006 12.458 1.00 16.66 C ATOM 878 O PHE A 60 -11.076 -25.262 13.028 1.00 16.66 O ATOM 879 CB PHE A 60 -14.126 -24.418 13.823 1.00 50.00 C ATOM 880 CG PHE A 60 -15.358 -24.959 14.505 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.576 -24.992 13.819 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.283 -25.421 15.823 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.720 -25.489 14.452 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.427 -25.918 16.455 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.647 -25.952 15.770 1.00 50.00 C ATOM 0 H PHE A 60 -12.567 -26.722 14.477 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.120 -25.755 12.120 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.415 -24.059 14.567 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.390 -23.566 13.197 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.633 -24.634 12.802 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.342 -25.394 16.352 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.661 -25.515 13.922 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.369 -26.276 17.472 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.531 -26.335 16.258 1.00 50.00 H new ATOM 895 N ILE A 61 -12.170 -24.259 11.386 1.00 16.66 N ATOM 896 CA ILE A 61 -10.925 -23.694 10.818 1.00 16.66 C ATOM 897 C ILE A 61 -10.915 -22.189 11.095 1.00 16.66 C ATOM 898 O ILE A 61 -11.873 -21.495 10.820 1.00 16.66 O ATOM 899 CB ILE A 61 -10.896 -23.934 9.308 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.177 -25.410 9.015 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.519 -23.558 8.759 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.199 -26.289 9.800 1.00 16.66 C ATOM 0 H ILE A 61 -13.022 -24.018 10.879 1.00 16.66 H new ATOM 0 HA ILE A 61 -10.054 -24.169 11.270 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.659 -23.320 8.830 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.203 -25.656 9.290 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.078 -25.604 7.947 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.497 -23.729 7.683 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.321 -22.506 8.964 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.756 -24.171 9.239 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.403 -27.339 9.588 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.177 -26.051 9.504 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.320 -26.104 10.867 1.00 16.66 H new ATOM 914 N SER A 62 -9.846 -21.677 11.629 1.00 16.66 N ATOM 915 CA SER A 62 -9.784 -20.219 11.912 1.00 16.66 C ATOM 916 C SER A 62 -9.048 -19.530 10.769 1.00 16.66 C ATOM 917 O SER A 62 -8.414 -20.170 9.955 1.00 16.66 O ATOM 918 CB SER A 62 -9.034 -19.981 13.224 1.00 16.66 C ATOM 919 OG SER A 62 -8.112 -21.039 13.441 1.00 16.66 O ATOM 0 H SER A 62 -9.011 -22.205 11.882 1.00 16.66 H new ATOM 0 HA SER A 62 -10.792 -19.815 12.002 1.00 16.66 H new ATOM 0 HB2 SER A 62 -8.507 -19.027 13.186 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.739 -19.923 14.053 1.00 16.66 H new ATOM 0 HG SER A 62 -7.630 -20.886 14.281 1.00 16.66 H new ATOM 925 N PHE A 63 -9.122 -18.234 10.695 1.00 16.66 N ATOM 926 CA PHE A 63 -8.417 -17.531 9.596 1.00 16.66 C ATOM 927 C PHE A 63 -6.956 -17.963 9.603 1.00 16.66 C ATOM 928 O PHE A 63 -6.363 -18.221 8.575 1.00 16.66 O ATOM 929 CB PHE A 63 -8.500 -16.020 9.800 1.00 16.66 C ATOM 930 CG PHE A 63 -7.775 -15.345 8.666 1.00 16.66 C ATOM 931 CD1 PHE A 63 -8.128 -15.640 7.346 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.745 -14.436 8.931 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.454 -15.025 6.288 1.00 16.66 C ATOM 934 CE2 PHE A 63 -6.070 -13.820 7.872 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.425 -14.115 6.550 1.00 16.66 C ATOM 0 H PHE A 63 -9.636 -17.636 11.342 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.882 -17.782 8.643 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.541 -15.698 9.829 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -8.053 -15.741 10.754 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.922 -16.344 7.144 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.472 -14.210 9.951 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.728 -15.252 5.268 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.275 -13.117 8.074 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.904 -13.639 5.732 1.00 16.66 H new ATOM 945 N GLN A 64 -6.376 -18.048 10.765 1.00 16.66 N ATOM 946 CA GLN A 64 -4.957 -18.468 10.863 1.00 16.66 C ATOM 947 C GLN A 64 -4.806 -19.876 10.281 1.00 16.66 C ATOM 948 O GLN A 64 -3.945 -20.132 9.464 1.00 16.66 O ATOM 949 CB GLN A 64 -4.545 -18.475 12.333 1.00 16.66 C ATOM 950 CG GLN A 64 -3.036 -18.700 12.443 1.00 16.66 C ATOM 951 CD GLN A 64 -2.297 -17.520 11.807 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.694 -16.382 11.967 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.233 -17.745 11.087 1.00 50.00 N ATOM 0 H GLN A 64 -6.829 -17.843 11.656 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.323 -17.777 10.306 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.817 -17.529 12.802 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -5.080 -19.260 12.867 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.748 -18.802 13.489 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.759 -19.628 11.944 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -0.900 -18.700 10.953 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.734 -16.966 10.658 1.00 50.00 H new ATOM 962 N GLU A 65 -5.644 -20.791 10.693 1.00 16.66 N ATOM 963 CA GLU A 65 -5.555 -22.178 10.160 1.00 16.66 C ATOM 964 C GLU A 65 -5.748 -22.146 8.645 1.00 16.66 C ATOM 965 O GLU A 65 -5.004 -22.751 7.898 1.00 16.66 O ATOM 966 CB GLU A 65 -6.651 -23.034 10.797 1.00 16.66 C ATOM 967 CG GLU A 65 -6.222 -23.464 12.202 1.00 16.66 C ATOM 968 CD GLU A 65 -7.344 -24.276 12.860 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.485 -24.063 12.517 1.00 16.66 O ATOM 970 OE2 GLU A 65 -7.044 -25.098 13.697 1.00 16.66 O ATOM 0 H GLU A 65 -6.386 -20.635 11.376 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.579 -22.603 10.395 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.582 -22.470 10.848 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.844 -23.912 10.181 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.312 -24.061 12.148 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.992 -22.587 12.807 1.00 16.66 H new ATOM 977 N PHE A 66 -6.745 -21.441 8.186 1.00 16.66 N ATOM 978 CA PHE A 66 -6.991 -21.365 6.720 1.00 16.66 C ATOM 979 C PHE A 66 -5.791 -20.705 6.042 1.00 16.66 C ATOM 980 O PHE A 66 -5.405 -21.067 4.948 1.00 16.66 O ATOM 981 CB PHE A 66 -8.248 -20.535 6.458 1.00 16.66 C ATOM 982 CG PHE A 66 -8.543 -20.520 4.976 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.947 -19.557 4.154 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.415 -21.467 4.426 1.00 16.66 C ATOM 985 CE1 PHE A 66 -8.221 -19.542 2.781 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.690 -21.453 3.053 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.092 -20.490 2.231 1.00 16.66 C ATOM 0 H PHE A 66 -7.400 -20.914 8.764 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.130 -22.369 6.318 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -9.093 -20.954 7.004 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -8.107 -19.517 6.822 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.276 -18.825 4.579 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.876 -22.209 5.061 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.761 -18.799 2.146 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.362 -22.184 2.629 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.303 -20.479 1.172 1.00 16.66 H new ATOM 997 N THR A 67 -5.194 -19.743 6.687 1.00 16.66 N ATOM 998 CA THR A 67 -4.014 -19.063 6.085 1.00 16.66 C ATOM 999 C THR A 67 -2.847 -20.050 6.025 1.00 16.66 C ATOM 1000 O THR A 67 -2.197 -20.195 5.009 1.00 16.66 O ATOM 1001 CB THR A 67 -3.622 -17.858 6.943 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.619 -16.852 6.826 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.279 -17.305 6.466 1.00 50.00 C ATOM 0 H THR A 67 -5.472 -19.398 7.606 1.00 16.66 H new ATOM 0 HA THR A 67 -4.260 -18.721 5.080 1.00 16.66 H new ATOM 0 HB THR A 67 -3.536 -18.166 7.985 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.388 -17.087 7.386 1.00 50.00 H new ATOM 0 HG21 THR A 67 -2.001 -16.447 7.078 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.515 -18.077 6.556 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.362 -16.996 5.424 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.582 -20.733 7.105 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.463 -21.714 7.107 1.00 25.00 C ATOM 1013 C ASP A 68 -1.718 -22.771 6.034 1.00 25.00 C ATOM 1014 O ASP A 68 -0.813 -23.223 5.361 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.374 -22.387 8.479 1.00 25.00 C ATOM 1016 CG ASP A 68 -1.025 -21.340 9.539 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.607 -20.258 9.160 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.182 -21.637 10.711 1.00 50.00 O ATOM 0 H ASP A 68 -3.092 -20.653 7.985 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.525 -21.199 6.897 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.322 -22.865 8.723 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.616 -23.171 8.463 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.950 -23.165 5.865 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.276 -24.186 4.837 1.00 25.00 C ATOM 1025 C PHE A 69 -3.265 -23.511 3.460 1.00 25.00 C ATOM 1026 O PHE A 69 -2.838 -24.087 2.478 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.661 -24.780 5.165 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.417 -25.114 3.903 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -5.961 -24.084 3.132 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.569 -26.445 3.507 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.660 -24.384 1.958 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.269 -26.748 2.335 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.815 -25.718 1.559 1.00 50.00 C ATOM 0 H PHE A 69 -3.748 -22.820 6.399 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.545 -24.995 4.829 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.541 -25.678 5.770 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.234 -24.069 5.760 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.842 -23.056 3.442 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.147 -27.239 4.105 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.080 -23.588 1.360 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.389 -27.777 2.028 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.355 -25.952 0.654 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.727 -22.294 3.387 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.741 -21.578 2.080 1.00 16.66 C ATOM 1045 C GLY A 70 -2.315 -21.496 1.535 1.00 16.66 C ATOM 1046 O GLY A 70 -2.095 -21.476 0.340 1.00 16.66 O ATOM 0 H GLY A 70 -4.096 -21.763 4.176 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.384 -22.101 1.372 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.153 -20.577 2.205 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.342 -21.457 2.404 1.00 25.00 N ATOM 1051 CA ARG A 71 0.070 -21.387 1.937 1.00 25.00 C ATOM 1052 C ARG A 71 0.455 -22.726 1.310 1.00 25.00 C ATOM 1053 O ARG A 71 1.262 -22.794 0.405 1.00 25.00 O ATOM 1054 CB ARG A 71 0.986 -21.093 3.127 1.00 50.00 C ATOM 1055 CG ARG A 71 0.641 -19.720 3.707 1.00 50.00 C ATOM 1056 CD ARG A 71 1.567 -19.417 4.886 1.00 50.00 C ATOM 1057 NE ARG A 71 1.442 -20.497 5.906 1.00 50.00 N ATOM 1058 CZ ARG A 71 2.012 -20.363 7.072 1.00 50.00 C ATOM 1059 NH1 ARG A 71 2.490 -19.204 7.437 1.00 50.00 N ATOM 1060 NH2 ARG A 71 2.104 -21.389 7.875 1.00 50.00 N ATOM 0 H ARG A 71 -1.465 -21.471 3.417 1.00 25.00 H new ATOM 0 HA ARG A 71 0.176 -20.593 1.198 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.868 -21.862 3.890 1.00 50.00 H new ATOM 0 HB3 ARG A 71 2.029 -21.115 2.811 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.748 -18.952 2.940 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.399 -19.702 4.034 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.599 -19.344 4.542 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.309 -18.454 5.327 1.00 50.00 H new ATOM 0 HE ARG A 71 0.911 -21.341 5.692 1.00 50.00 H new ATOM 0 HH11 ARG A 71 2.418 -18.402 6.810 1.00 50.00 H new ATOM 0 HH12 ARG A 71 2.935 -19.100 8.349 1.00 50.00 H new ATOM 0 HH21 ARG A 71 1.730 -22.294 7.590 1.00 50.00 H new ATOM 0 HH22 ARG A 71 2.550 -21.285 8.787 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.124 -23.794 1.787 1.00 25.00 N ATOM 1075 CA ALA A 72 0.198 -25.134 1.222 1.00 25.00 C ATOM 1076 C ALA A 72 -0.375 -25.239 -0.193 1.00 25.00 C ATOM 1077 O ALA A 72 0.060 -26.043 -0.993 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.424 -26.218 2.105 1.00 50.00 C ATOM 0 H ALA A 72 -0.807 -23.796 2.545 1.00 25.00 H new ATOM 0 HA ALA A 72 1.279 -25.267 1.188 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.190 -27.200 1.694 1.00 50.00 H new ATOM 0 HB2 ALA A 72 -0.020 -26.141 3.114 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.505 -26.086 2.136 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.347 -24.427 -0.507 1.00 25.00 N ATOM 1085 CA ASN A 73 -1.952 -24.472 -1.868 1.00 25.00 C ATOM 1086 C ASN A 73 -2.451 -23.075 -2.243 1.00 25.00 C ATOM 1087 O ASN A 73 -3.611 -22.881 -2.547 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.124 -25.454 -1.874 1.00 25.00 C ATOM 1089 CG ASN A 73 -4.013 -25.192 -0.657 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -4.808 -24.275 -0.656 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.907 -25.965 0.386 1.00 50.00 N ATOM 0 H ASN A 73 -1.749 -23.732 0.122 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.205 -24.800 -2.591 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -3.702 -25.342 -2.791 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -2.754 -26.479 -1.854 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -4.493 -25.800 1.205 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -3.239 -26.735 0.384 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.584 -22.103 -2.220 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.008 -20.720 -2.570 1.00 25.00 C ATOM 1100 C ARG A 74 -2.778 -20.759 -3.886 1.00 25.00 C ATOM 1101 O ARG A 74 -3.740 -20.044 -4.081 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.775 -19.828 -2.723 1.00 25.00 C ATOM 1103 CG ARG A 74 0.159 -20.426 -3.778 1.00 25.00 C ATOM 1104 CD ARG A 74 1.436 -19.586 -3.863 1.00 25.00 C ATOM 1105 NE ARG A 74 1.075 -18.155 -4.068 1.00 25.00 N ATOM 1106 CZ ARG A 74 1.623 -17.232 -3.326 1.00 50.00 C ATOM 1107 NH1 ARG A 74 0.895 -16.559 -2.477 1.00 50.00 N ATOM 1108 NH2 ARG A 74 2.900 -16.984 -3.431 1.00 50.00 N ATOM 0 H ARG A 74 -0.600 -22.206 -1.974 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.643 -20.317 -1.781 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -1.075 -18.822 -3.016 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -0.255 -19.741 -1.769 1.00 25.00 H new ATOM 0 HG2 ARG A 74 0.405 -21.456 -3.520 1.00 25.00 H new ATOM 0 HG3 ARG A 74 -0.338 -20.451 -4.748 1.00 25.00 H new ATOM 0 HD2 ARG A 74 2.019 -19.698 -2.949 1.00 25.00 H new ATOM 0 HD3 ARG A 74 2.061 -19.936 -4.685 1.00 25.00 H new ATOM 0 HE ARG A 74 0.400 -17.897 -4.788 1.00 25.00 H new ATOM 0 HH11 ARG A 74 -0.103 -16.755 -2.393 1.00 50.00 H new ATOM 0 HH12 ARG A 74 1.324 -15.838 -1.897 1.00 50.00 H new ATOM 0 HH21 ARG A 74 3.469 -17.512 -4.093 1.00 50.00 H new ATOM 0 HH22 ARG A 74 3.329 -16.263 -2.851 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.357 -21.597 -4.788 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.051 -21.698 -6.097 1.00 25.00 C ATOM 1124 C GLY A 75 -4.478 -22.208 -5.887 1.00 25.00 C ATOM 1125 O GLY A 75 -5.367 -21.932 -6.669 1.00 25.00 O ATOM 0 H GLY A 75 -1.557 -22.220 -4.673 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -3.071 -20.723 -6.585 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.507 -22.374 -6.757 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.706 -22.954 -4.840 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.076 -23.483 -4.587 1.00 25.00 C ATOM 1131 C LEU A 76 -7.025 -22.325 -4.275 1.00 25.00 C ATOM 1132 O LEU A 76 -8.115 -22.242 -4.805 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.042 -24.448 -3.401 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.701 -25.855 -3.897 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.742 -26.833 -2.721 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.721 -26.285 -4.953 1.00 50.00 C ATOM 0 H LEU A 76 -4.003 -23.220 -4.150 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.428 -24.010 -5.474 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.302 -24.119 -2.672 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.007 -24.453 -2.895 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.703 -25.854 -4.335 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.499 -27.836 -3.073 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.016 -26.527 -1.968 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -6.740 -26.834 -2.283 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.478 -27.287 -5.306 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.719 -26.286 -4.515 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.693 -25.588 -5.791 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.618 -21.433 -3.419 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.490 -20.281 -3.069 1.00 25.00 C ATOM 1150 C LEU A 77 -7.794 -19.474 -4.330 1.00 25.00 C ATOM 1151 O LEU A 77 -8.904 -19.029 -4.543 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.772 -19.388 -2.051 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.301 -20.212 -0.837 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -7.230 -21.409 -0.597 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -4.873 -20.710 -1.068 1.00 50.00 C ATOM 0 H LEU A 77 -5.715 -21.452 -2.945 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.422 -20.647 -2.637 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.916 -18.906 -2.523 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -7.442 -18.595 -1.720 1.00 25.00 H new ATOM 0 HG LEU A 77 -6.326 -19.570 0.043 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -6.878 -21.976 0.265 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -8.242 -21.052 -0.407 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -7.231 -22.051 -1.478 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -4.547 -21.292 -0.206 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -4.846 -21.336 -1.960 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -4.208 -19.857 -1.203 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.815 -19.284 -5.167 1.00 25.00 N ATOM 1168 CA LYS A 78 -7.045 -18.506 -6.416 1.00 25.00 C ATOM 1169 C LYS A 78 -8.135 -19.187 -7.245 1.00 25.00 C ATOM 1170 O LYS A 78 -8.871 -18.546 -7.969 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.748 -18.448 -7.227 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.672 -17.720 -6.419 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.539 -17.287 -7.352 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.727 -18.513 -7.772 1.00 50.00 C ATOM 1175 NZ LYS A 78 -1.685 -18.105 -8.757 1.00 50.00 N ATOM 0 H LYS A 78 -5.865 -19.633 -5.041 1.00 25.00 H new ATOM 0 HA LYS A 78 -7.360 -17.494 -6.162 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.414 -19.456 -7.471 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.920 -17.932 -8.171 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -5.101 -16.850 -5.923 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -4.284 -18.374 -5.638 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.948 -16.790 -8.232 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.895 -16.566 -6.849 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -2.259 -18.969 -6.899 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -3.383 -19.264 -8.211 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -1.132 -18.938 -9.043 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -2.142 -17.689 -9.593 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.053 -17.403 -8.323 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.246 -20.483 -7.143 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.291 -21.206 -7.922 1.00 25.00 C ATOM 1191 C ASP A 79 -10.668 -20.893 -7.336 1.00 25.00 C ATOM 1192 O ASP A 79 -11.643 -20.763 -8.048 1.00 25.00 O ATOM 1193 CB ASP A 79 -9.032 -22.712 -7.848 1.00 25.00 C ATOM 1194 CG ASP A 79 -10.067 -23.450 -8.701 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -10.701 -22.803 -9.519 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -10.205 -24.649 -8.524 1.00 50.00 O ATOM 0 H ASP A 79 -7.658 -21.073 -6.554 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.258 -20.885 -8.963 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.026 -22.937 -8.202 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -9.089 -23.051 -6.814 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.752 -20.771 -6.041 1.00 25.00 N ATOM 1202 CA VAL A 80 -12.063 -20.466 -5.403 1.00 25.00 C ATOM 1203 C VAL A 80 -12.239 -18.950 -5.302 1.00 25.00 C ATOM 1204 O VAL A 80 -13.342 -18.444 -5.297 1.00 25.00 O ATOM 1205 CB VAL A 80 -12.101 -21.076 -4.000 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -13.552 -21.171 -3.523 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -11.483 -22.475 -4.037 1.00 50.00 C ATOM 0 H VAL A 80 -9.968 -20.869 -5.396 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.868 -20.887 -6.006 1.00 25.00 H new ATOM 0 HB VAL A 80 -11.535 -20.446 -3.314 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -13.579 -21.606 -2.524 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -13.993 -20.174 -3.497 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -14.120 -21.801 -4.208 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -11.509 -22.911 -3.038 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -12.049 -23.105 -4.723 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -10.449 -22.407 -4.376 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.159 -18.222 -5.219 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.268 -16.740 -5.116 1.00 25.00 C ATOM 1219 C ALA A 81 -11.941 -16.183 -6.373 1.00 25.00 C ATOM 1220 O ALA A 81 -12.439 -15.075 -6.382 1.00 25.00 O ATOM 1221 CB ALA A 81 -9.869 -16.136 -4.980 1.00 50.00 C ATOM 0 H ALA A 81 -10.207 -18.589 -5.218 1.00 25.00 H new ATOM 0 HA ALA A 81 -11.866 -16.482 -4.242 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -9.947 -15.051 -4.905 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.389 -16.529 -4.084 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.273 -16.397 -5.855 1.00 50.00 H new ATOM 1227 N LYS A 82 -11.962 -16.942 -7.435 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.606 -16.451 -8.685 1.00 25.00 C ATOM 1229 C LYS A 82 -14.045 -16.963 -8.747 1.00 25.00 C ATOM 1230 O LYS A 82 -14.922 -16.323 -9.293 1.00 25.00 O ATOM 1231 CB LYS A 82 -11.829 -16.965 -9.898 1.00 25.00 C ATOM 1232 CG LYS A 82 -12.062 -18.468 -10.053 1.00 25.00 C ATOM 1233 CD LYS A 82 -11.230 -18.995 -11.225 1.00 25.00 C ATOM 1234 CE LYS A 82 -11.827 -20.311 -11.725 1.00 50.00 C ATOM 1235 NZ LYS A 82 -10.837 -21.005 -12.596 1.00 50.00 N ATOM 0 H LYS A 82 -11.562 -17.879 -7.490 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.605 -15.361 -8.691 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -12.151 -16.442 -10.798 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -10.765 -16.762 -9.775 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -11.786 -18.986 -9.135 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -13.120 -18.667 -10.225 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -11.213 -18.262 -12.031 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.197 -19.148 -10.912 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -12.093 -20.946 -10.880 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -12.745 -20.119 -12.281 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -11.242 -21.900 -12.937 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -10.604 -20.399 -13.408 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -9.973 -21.201 -12.052 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.293 -18.115 -8.191 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.673 -18.673 -8.215 1.00 25.00 C ATOM 1251 C ILE A 83 -16.633 -17.685 -7.553 1.00 25.00 C ATOM 1252 O ILE A 83 -17.780 -17.564 -7.936 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.699 -19.999 -7.453 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.810 -21.017 -8.173 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.137 -20.519 -7.393 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -15.106 -22.424 -7.647 1.00 50.00 C ATOM 0 H ILE A 83 -13.599 -18.695 -7.720 1.00 25.00 H new ATOM 0 HA ILE A 83 -15.980 -18.841 -9.247 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.326 -19.849 -6.440 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -14.989 -20.975 -9.247 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.760 -20.773 -8.015 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -17.160 -21.464 -6.851 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.766 -19.791 -6.880 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.511 -20.673 -8.405 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.472 -23.146 -8.162 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.904 -22.462 -6.576 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -16.153 -22.667 -7.828 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.171 -16.975 -6.562 1.00 25.00 N ATOM 1269 CA PHE A 84 -17.053 -15.993 -5.873 1.00 25.00 C ATOM 1270 C PHE A 84 -16.921 -14.627 -6.548 1.00 25.00 C ATOM 1271 O PHE A 84 -16.011 -13.896 -6.192 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.638 -15.879 -4.405 1.00 50.00 C ATOM 1273 CG PHE A 84 -16.963 -17.167 -3.689 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.056 -18.232 -3.717 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.173 -17.298 -2.996 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.357 -19.427 -3.053 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.474 -18.493 -2.332 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.566 -19.558 -2.361 1.00 50.00 C ATOM 1279 OXT PHE A 84 -17.731 -14.334 -7.412 1.00 99.99 O ATOM 0 H PHE A 84 -15.219 -17.033 -6.199 1.00 25.00 H new ATOM 0 HA PHE A 84 -18.088 -16.329 -5.933 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.571 -15.670 -4.333 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.159 -15.046 -3.932 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.123 -18.132 -4.251 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.874 -16.477 -2.974 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.656 -20.248 -3.075 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.407 -18.593 -1.797 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.799 -20.480 -1.849 1.00 50.00 H new TER 1289 PHE A 84 HETATM 1290 CA CA A1085 -18.326 -19.582 12.071 1.00 14.39 CA HETATM 1291 CA CA A1086 -9.401 -25.481 14.305 1.00 13.26 CA