USER MOD reduce.3.24.130724 H: found=0, std=0, add=931, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 930 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 59 MET CE :methyl -171:sc= -2.03 (180deg=-2.27) USER MOD Set 1.2: A 115 HIS :FLIP no HD1:sc= -5.42! C(o=-10!,f=-7.5!) USER MOD Set 2.1: A 53 HIS : no HE2:sc= -3.9 K(o=-3.8,f=-10!) USER MOD Set 2.2: A 99 TYR OH : rot 136:sc= 0.0695 USER MOD Set 3.1: A 91 ASN : amide:sc= 0.779 K(o=1.5,f=-0.98) USER MOD Set 3.2: A 95 THR OG1 : rot 92:sc= 0.755 USER MOD Set 4.1: A 57 LYS NZ :NH3+ -162:sc= -0.0479 (180deg=-0.319) USER MOD Set 4.2: A 68 ASN : amide:sc= 0.363 K(o=0.32,f=-4.5!) USER MOD Set 5.1: A 6 THR OG1 : rot 180:sc= 0.287 USER MOD Set 5.2: A 35 GLN : amide:sc= -1.06 K(o=-0.77,f=-3.8!) USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.544 F(o=-1.1,f=-0.54) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 150:sc= 0 USER MOD Single : A 29 MET CE :methyl 178:sc= -0.612 (180deg=-0.617) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.052) USER MOD Single : A 38 SER OG : rot 62:sc= 0.243 USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= 2.36 (180deg=1.01) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -28:sc= 0.224 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 153:sc= 0.0039 (180deg=-0.52) USER MOD Single : A 55 THR OG1 : rot 77:sc= 1.03 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 76 HIS : no HE2:sc= 0.165 K(o=0.17,f=-4.1!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 97 THR OG1 : rot 120:sc= 0.214 USER MOD Single : A 100 CYS SG : rot 180:sc= -0.17 USER MOD Single : A 101 SER OG : rot 91:sc= 0.0155 USER MOD Single : A 102 THR OG1 : rot 84:sc= 0.909 USER MOD Single : A 104 MET CE :methyl 174:sc= -0.362 (180deg=-0.531) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0715 USER MOD Single : A 109 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000711) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 CYS SG : rot 180:sc= -0.488 USER MOD Single : A 121 LYS NZ :NH3+ -146:sc= 1.83 (180deg=1.34) USER MOD ----------------------------------------------------------------- ATOM 38 N GLY A 4 -2.017 5.783 1.824 1.00 0.00 N ATOM 39 CA GLY A 4 -2.925 5.677 2.959 1.00 0.00 C ATOM 40 C GLY A 4 -2.649 6.838 3.890 1.00 0.00 C ATOM 41 O GLY A 4 -2.423 6.650 5.083 1.00 0.00 O ATOM 0 HA2 GLY A 4 -3.961 5.698 2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.778 4.730 3.477 1.00 0.00 H new ATOM 45 N ASP A 5 -2.661 8.038 3.310 1.00 0.00 N ATOM 46 CA ASP A 5 -2.400 9.270 4.024 1.00 0.00 C ATOM 47 C ASP A 5 -2.815 10.474 3.181 1.00 0.00 C ATOM 48 O ASP A 5 -3.446 11.391 3.707 1.00 0.00 O ATOM 49 CB ASP A 5 -0.887 9.362 4.355 1.00 0.00 C ATOM 50 CG ASP A 5 -0.628 10.485 5.348 1.00 0.00 C ATOM 51 OD1 ASP A 5 -1.022 10.298 6.520 1.00 0.00 O ATOM 52 OD2 ASP A 5 -0.096 11.529 4.921 1.00 0.00 O ATOM 0 H ASP A 5 -2.856 8.175 2.318 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.980 9.274 4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.541 8.415 4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.319 9.537 3.442 1.00 0.00 H new ATOM 57 N THR A 6 -2.431 10.427 1.894 1.00 0.00 N ATOM 58 CA THR A 6 -2.619 11.399 0.824 1.00 0.00 C ATOM 59 C THR A 6 -2.271 12.812 1.261 1.00 0.00 C ATOM 60 O THR A 6 -1.584 12.979 2.261 1.00 0.00 O ATOM 61 CB THR A 6 -3.926 11.223 0.067 1.00 0.00 C ATOM 62 OG1 THR A 6 -3.870 11.853 -1.198 1.00 0.00 O ATOM 63 CG2 THR A 6 -5.020 11.853 0.882 1.00 0.00 C ATOM 0 H THR A 6 -1.925 9.611 1.549 1.00 0.00 H new ATOM 0 HA THR A 6 -1.880 11.182 0.052 1.00 0.00 H new ATOM 0 HB THR A 6 -4.111 10.161 -0.091 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.722 11.724 -1.666 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.971 11.742 0.362 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.078 11.363 1.854 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.805 12.912 1.022 1.00 0.00 H new ATOM 71 N PHE A 7 -2.670 13.807 0.456 1.00 0.00 N ATOM 72 CA PHE A 7 -2.253 15.189 0.621 1.00 0.00 C ATOM 73 C PHE A 7 -3.371 16.181 0.382 1.00 0.00 C ATOM 74 O PHE A 7 -4.516 15.767 0.211 1.00 0.00 O ATOM 75 CB PHE A 7 -1.007 15.343 -0.249 1.00 0.00 C ATOM 76 CG PHE A 7 -0.091 14.108 -0.021 1.00 0.00 C ATOM 77 CD1 PHE A 7 0.719 14.004 1.139 1.00 0.00 C ATOM 78 CD2 PHE A 7 -0.105 13.003 -0.913 1.00 0.00 C ATOM 79 CE1 PHE A 7 1.525 12.875 1.363 1.00 0.00 C ATOM 80 CE2 PHE A 7 0.706 11.878 -0.685 1.00 0.00 C ATOM 81 CZ PHE A 7 1.532 11.816 0.447 1.00 0.00 C ATOM 0 H PHE A 7 -3.299 13.663 -0.334 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.996 15.428 1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.286 15.419 -1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.477 16.260 0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.716 14.806 1.862 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.749 13.028 -1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.143 12.824 2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.693 11.056 -1.386 1.00 0.00 H new ATOM 0 HZ PHE A 7 2.168 10.959 0.611 1.00 0.00 H new ATOM 91 N ILE A 8 -3.047 17.483 0.439 1.00 0.00 N ATOM 92 CA ILE A 8 -4.051 18.532 0.358 1.00 0.00 C ATOM 93 C ILE A 8 -3.822 19.638 -0.661 1.00 0.00 C ATOM 94 O ILE A 8 -2.706 19.852 -1.131 1.00 0.00 O ATOM 95 CB ILE A 8 -4.254 19.066 1.788 1.00 0.00 C ATOM 96 CG1 ILE A 8 -4.998 17.930 2.509 1.00 0.00 C ATOM 97 CG2 ILE A 8 -4.990 20.406 1.918 1.00 0.00 C ATOM 98 CD1 ILE A 8 -5.475 18.344 3.875 1.00 0.00 C ATOM 0 H ILE A 8 -2.092 17.825 0.541 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.958 18.081 -0.044 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.286 19.313 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.851 17.616 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.339 17.067 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.071 20.676 2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.435 21.179 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.988 20.316 1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.995 17.510 4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.620 18.632 4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.156 19.190 3.782 1.00 0.00 H new ATOM 110 N ARG A 9 -4.925 20.347 -0.959 1.00 0.00 N ATOM 111 CA ARG A 9 -4.975 21.488 -1.846 1.00 0.00 C ATOM 112 C ARG A 9 -4.917 22.724 -0.966 1.00 0.00 C ATOM 113 O ARG A 9 -3.976 23.509 -1.080 1.00 0.00 O ATOM 114 CB ARG A 9 -6.289 21.491 -2.672 1.00 0.00 C ATOM 115 CG ARG A 9 -6.236 20.404 -3.746 1.00 0.00 C ATOM 116 CD ARG A 9 -7.416 20.528 -4.718 1.00 0.00 C ATOM 117 NE ARG A 9 -7.327 19.553 -5.817 1.00 0.00 N ATOM 118 CZ ARG A 9 -6.553 19.668 -6.912 1.00 0.00 C ATOM 119 NH1 ARG A 9 -5.750 20.728 -7.077 1.00 0.00 N ATOM 120 NH2 ARG A 9 -6.587 18.711 -7.847 1.00 0.00 N ATOM 0 H ARG A 9 -5.837 20.118 -0.563 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.146 21.459 -2.554 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.142 21.322 -2.014 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.433 22.466 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.298 20.478 -4.297 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.252 19.422 -3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.350 20.380 -4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.443 21.537 -5.129 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.904 18.715 -5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.720 21.460 -6.368 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.169 20.802 -7.912 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.196 17.902 -7.727 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.003 18.791 -8.680 1.00 0.00 H new ATOM 134 N HIS A 10 -5.923 22.901 -0.096 1.00 0.00 N ATOM 135 CA HIS A 10 -5.963 24.076 0.762 1.00 0.00 C ATOM 136 C HIS A 10 -7.020 24.072 1.867 1.00 0.00 C ATOM 137 O HIS A 10 -7.794 23.121 2.018 1.00 0.00 O ATOM 138 CB HIS A 10 -6.106 25.331 -0.143 1.00 0.00 C ATOM 139 CG HIS A 10 -7.472 25.990 -0.214 1.00 0.00 C ATOM 140 ND1 HIS A 10 -8.755 25.491 -0.264 1.00 0.00 N flip ATOM 141 CD2 HIS A 10 -7.629 27.368 -0.239 1.00 0.00 C flip ATOM 142 CE1 HIS A 10 -9.690 26.517 -0.318 1.00 0.00 C flip ATOM 143 NE2 HIS A 10 -8.949 27.625 -0.300 1.00 0.00 N flip ATOM 0 H HIS A 10 -6.702 22.254 0.025 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.026 24.079 1.319 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.390 26.077 0.201 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.814 25.051 -1.155 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.836 28.101 -0.214 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.766 26.436 -0.364 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -9.340 28.567 -0.329 1.00 0.00 H new ATOM 151 N ILE A 11 -7.020 25.190 2.614 1.00 0.00 N ATOM 152 CA ILE A 11 -7.913 25.496 3.713 1.00 0.00 C ATOM 153 C ILE A 11 -8.783 26.708 3.368 1.00 0.00 C ATOM 154 O ILE A 11 -8.347 27.596 2.639 1.00 0.00 O ATOM 155 CB ILE A 11 -7.149 25.755 5.029 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.741 25.129 5.044 1.00 0.00 C ATOM 157 CG2 ILE A 11 -8.052 25.335 6.203 1.00 0.00 C ATOM 158 CD1 ILE A 11 -4.984 25.342 6.361 1.00 0.00 C ATOM 0 H ILE A 11 -6.351 25.941 2.445 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.547 24.623 3.866 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.938 26.820 5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.827 24.059 4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.156 25.552 4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.530 25.510 7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.971 25.921 6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.295 24.276 6.114 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.002 24.874 6.296 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.865 26.410 6.544 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.546 24.894 7.180 1.00 0.00 H new ATOM 170 N ALA A 12 -9.998 26.752 3.919 1.00 0.00 N ATOM 171 CA ALA A 12 -10.973 27.814 3.783 1.00 0.00 C ATOM 172 C ALA A 12 -11.609 27.904 5.167 1.00 0.00 C ATOM 173 O ALA A 12 -11.394 27.014 5.993 1.00 0.00 O ATOM 174 CB ALA A 12 -12.005 27.456 2.706 1.00 0.00 C ATOM 0 H ALA A 12 -10.340 25.993 4.508 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.538 28.763 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.731 28.264 2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.500 27.313 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.519 26.536 2.986 1.00 0.00 H new ATOM 180 N LEU A 13 -12.381 28.957 5.446 1.00 0.00 N ATOM 181 CA LEU A 13 -13.014 29.085 6.750 1.00 0.00 C ATOM 182 C LEU A 13 -14.448 29.509 6.543 1.00 0.00 C ATOM 183 O LEU A 13 -14.729 30.308 5.650 1.00 0.00 O ATOM 184 CB LEU A 13 -12.141 29.989 7.647 1.00 0.00 C ATOM 185 CG LEU A 13 -12.180 29.834 9.203 1.00 0.00 C ATOM 186 CD1 LEU A 13 -10.793 30.288 9.648 1.00 0.00 C ATOM 187 CD2 LEU A 13 -13.165 30.671 10.028 1.00 0.00 C ATOM 0 H LEU A 13 -12.577 29.718 4.796 1.00 0.00 H new ATOM 0 HA LEU A 13 -13.075 28.144 7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.106 29.849 7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.406 31.021 7.419 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.498 28.807 9.383 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.717 30.217 10.733 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.037 29.651 9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.632 31.321 9.340 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.050 30.431 11.085 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.962 31.730 9.872 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.185 30.447 9.714 1.00 0.00 H new ATOM 199 N LEU A 14 -15.349 28.937 7.348 1.00 0.00 N ATOM 200 CA LEU A 14 -16.768 29.225 7.210 1.00 0.00 C ATOM 201 C LEU A 14 -17.042 30.413 8.095 1.00 0.00 C ATOM 202 O LEU A 14 -17.564 31.425 7.627 1.00 0.00 O ATOM 203 CB LEU A 14 -17.615 27.977 7.562 1.00 0.00 C ATOM 204 CG LEU A 14 -18.594 27.665 6.412 1.00 0.00 C ATOM 205 CD1 LEU A 14 -17.862 27.298 5.098 1.00 0.00 C ATOM 206 CD2 LEU A 14 -19.546 26.547 6.852 1.00 0.00 C ATOM 0 H LEU A 14 -15.118 28.279 8.093 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.046 29.468 6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.962 27.122 7.738 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -18.168 28.151 8.485 1.00 0.00 H new ATOM 0 HG LEU A 14 -19.168 28.566 6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -18.595 27.087 4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -17.232 28.132 4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -17.242 26.416 5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -20.241 26.322 6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -18.971 25.654 7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -20.104 26.869 7.731 1.00 0.00 H new ATOM 218 N GLY A 15 -16.638 30.307 9.358 1.00 0.00 N ATOM 219 CA GLY A 15 -16.783 31.475 10.215 1.00 0.00 C ATOM 220 C GLY A 15 -16.784 31.188 11.699 1.00 0.00 C ATOM 221 O GLY A 15 -15.777 30.772 12.266 1.00 0.00 O ATOM 0 H GLY A 15 -16.232 29.477 9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.972 32.169 9.996 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -17.714 31.981 9.958 1.00 0.00 H new ATOM 225 N PHE A 16 -17.938 31.432 12.319 1.00 0.00 N ATOM 226 CA PHE A 16 -18.126 31.280 13.745 1.00 0.00 C ATOM 227 C PHE A 16 -18.564 29.843 14.024 1.00 0.00 C ATOM 228 O PHE A 16 -18.652 29.035 13.103 1.00 0.00 O ATOM 229 CB PHE A 16 -19.195 32.291 14.199 1.00 0.00 C ATOM 230 CG PHE A 16 -18.929 33.734 13.692 1.00 0.00 C ATOM 231 CD1 PHE A 16 -17.695 34.389 13.943 1.00 0.00 C ATOM 232 CD2 PHE A 16 -19.904 34.442 12.945 1.00 0.00 C ATOM 233 CE1 PHE A 16 -17.455 35.692 13.474 1.00 0.00 C ATOM 234 CE2 PHE A 16 -19.659 35.746 12.480 1.00 0.00 C ATOM 235 CZ PHE A 16 -18.436 36.374 12.743 1.00 0.00 C ATOM 0 H PHE A 16 -18.776 31.745 11.829 1.00 0.00 H new ATOM 0 HA PHE A 16 -17.205 31.473 14.295 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.171 31.962 13.842 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -19.239 32.298 15.288 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -16.927 33.877 14.504 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.852 33.971 12.729 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -16.508 36.170 13.678 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.419 36.266 11.916 1.00 0.00 H new ATOM 0 HZ PHE A 16 -18.250 37.376 12.385 1.00 0.00 H new ATOM 245 N GLU A 17 -18.838 29.536 15.292 1.00 0.00 N ATOM 246 CA GLU A 17 -19.309 28.247 15.777 1.00 0.00 C ATOM 247 C GLU A 17 -19.746 28.426 17.240 1.00 0.00 C ATOM 248 O GLU A 17 -19.396 29.431 17.859 1.00 0.00 O ATOM 249 CB GLU A 17 -18.248 27.165 15.573 1.00 0.00 C ATOM 250 CG GLU A 17 -18.817 25.870 14.985 1.00 0.00 C ATOM 251 CD GLU A 17 -19.590 25.080 16.027 1.00 0.00 C ATOM 252 OE1 GLU A 17 -18.931 24.312 16.759 1.00 0.00 O ATOM 253 OE2 GLU A 17 -20.820 25.286 16.114 1.00 0.00 O ATOM 0 H GLU A 17 -18.731 30.217 16.044 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.171 27.901 15.207 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.471 27.547 14.911 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.773 26.945 16.529 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.472 26.107 14.146 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.004 25.259 14.592 1.00 0.00 H new ATOM 260 N LYS A 18 -20.544 27.492 17.776 1.00 0.00 N ATOM 261 CA LYS A 18 -21.142 27.533 19.095 1.00 0.00 C ATOM 262 C LYS A 18 -21.026 26.214 19.885 1.00 0.00 C ATOM 263 O LYS A 18 -21.882 25.340 19.758 1.00 0.00 O ATOM 264 CB LYS A 18 -22.624 27.934 18.960 1.00 0.00 C ATOM 265 CG LYS A 18 -22.935 28.987 17.884 1.00 0.00 C ATOM 266 CD LYS A 18 -23.244 28.329 16.527 1.00 0.00 C ATOM 267 CE LYS A 18 -23.077 29.324 15.372 1.00 0.00 C ATOM 268 NZ LYS A 18 -23.233 28.659 14.063 1.00 0.00 N ATOM 0 H LYS A 18 -20.796 26.647 17.264 1.00 0.00 H new ATOM 0 HA LYS A 18 -20.582 28.271 19.669 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.205 27.038 18.744 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -22.968 28.313 19.923 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -23.786 29.591 18.199 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -22.086 29.662 17.778 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -22.581 27.477 16.374 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -24.263 27.943 16.532 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -23.814 30.122 15.467 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -22.093 29.790 15.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -23.115 29.358 13.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -22.514 27.914 13.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -24.181 28.235 14.000 1.00 0.00 H new ATOM 282 N ARG A 19 -19.998 26.071 20.733 1.00 0.00 N ATOM 283 CA ARG A 19 -19.775 24.934 21.612 1.00 0.00 C ATOM 284 C ARG A 19 -19.961 25.486 23.019 1.00 0.00 C ATOM 285 O ARG A 19 -19.082 26.160 23.552 1.00 0.00 O ATOM 286 CB ARG A 19 -18.375 24.337 21.402 1.00 0.00 C ATOM 287 CG ARG A 19 -18.138 23.780 19.989 1.00 0.00 C ATOM 288 CD ARG A 19 -18.584 22.324 19.787 1.00 0.00 C ATOM 289 NE ARG A 19 -20.007 22.100 20.080 1.00 0.00 N ATOM 290 CZ ARG A 19 -21.039 22.464 19.299 1.00 0.00 C ATOM 291 NH1 ARG A 19 -20.838 23.061 18.121 1.00 0.00 N ATOM 292 NH2 ARG A 19 -22.292 22.235 19.714 1.00 0.00 N ATOM 0 H ARG A 19 -19.271 26.781 20.822 1.00 0.00 H new ATOM 0 HA ARG A 19 -20.465 24.114 21.414 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -17.629 25.105 21.609 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -18.219 23.538 22.127 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -18.666 24.409 19.272 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -17.075 23.855 19.758 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -18.383 22.030 18.757 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -17.983 21.677 20.426 1.00 0.00 H new ATOM 0 HE ARG A 19 -20.232 21.626 20.955 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -19.888 23.248 17.800 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -21.634 23.330 17.543 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -22.457 21.788 20.616 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -23.081 22.508 19.128 1.00 0.00 H new ATOM 401 N TYR A 26 -17.204 29.969 22.581 1.00 0.00 N ATOM 402 CA TYR A 26 -17.508 29.824 21.156 1.00 0.00 C ATOM 403 C TYR A 26 -16.220 29.460 20.410 1.00 0.00 C ATOM 404 O TYR A 26 -15.120 29.746 20.889 1.00 0.00 O ATOM 405 CB TYR A 26 -18.195 31.062 20.545 1.00 0.00 C ATOM 406 CG TYR A 26 -19.750 31.071 20.611 1.00 0.00 C ATOM 407 CD1 TYR A 26 -20.460 30.403 21.644 1.00 0.00 C ATOM 408 CD2 TYR A 26 -20.523 31.745 19.628 1.00 0.00 C ATOM 409 CE1 TYR A 26 -21.864 30.415 21.694 1.00 0.00 C ATOM 410 CE2 TYR A 26 -21.928 31.756 19.683 1.00 0.00 C ATOM 411 CZ TYR A 26 -22.600 31.092 20.716 1.00 0.00 C ATOM 412 OH TYR A 26 -23.963 31.098 20.771 1.00 0.00 O ATOM 0 HA TYR A 26 -18.237 29.021 21.047 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -17.823 31.950 21.055 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -17.893 31.144 19.501 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -19.909 29.874 22.408 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -20.021 32.260 18.822 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -22.378 29.899 22.492 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -22.491 32.279 18.925 1.00 0.00 H new ATOM 0 HH TYR A 26 -24.319 31.614 20.018 1.00 0.00 H new ATOM 422 N VAL A 27 -16.365 28.804 19.250 1.00 0.00 N ATOM 423 CA VAL A 27 -15.245 28.325 18.443 1.00 0.00 C ATOM 424 C VAL A 27 -15.448 28.742 16.981 1.00 0.00 C ATOM 425 O VAL A 27 -16.472 29.354 16.690 1.00 0.00 O ATOM 426 CB VAL A 27 -15.051 26.811 18.724 1.00 0.00 C ATOM 427 CG1 VAL A 27 -15.140 26.474 20.221 1.00 0.00 C ATOM 428 CG2 VAL A 27 -15.983 25.865 17.970 1.00 0.00 C ATOM 0 H VAL A 27 -17.277 28.591 18.845 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.295 28.786 18.713 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.044 26.637 18.344 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.997 25.403 20.362 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.366 27.017 20.763 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -16.120 26.763 20.601 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -15.756 24.835 18.245 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -17.017 26.090 18.229 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.842 25.994 16.897 1.00 0.00 H new ATOM 438 N TYR A 28 -14.503 28.463 16.063 1.00 0.00 N ATOM 439 CA TYR A 28 -14.584 28.823 14.666 1.00 0.00 C ATOM 440 C TYR A 28 -14.904 27.628 13.774 1.00 0.00 C ATOM 441 O TYR A 28 -14.261 26.584 13.900 1.00 0.00 O ATOM 442 CB TYR A 28 -13.290 29.453 14.102 1.00 0.00 C ATOM 443 CG TYR A 28 -12.143 29.867 15.004 1.00 0.00 C ATOM 444 CD1 TYR A 28 -11.358 28.900 15.654 1.00 0.00 C ATOM 445 CD2 TYR A 28 -11.829 31.230 15.160 1.00 0.00 C ATOM 446 CE1 TYR A 28 -10.294 29.286 16.491 1.00 0.00 C ATOM 447 CE2 TYR A 28 -10.763 31.617 15.990 1.00 0.00 C ATOM 448 CZ TYR A 28 -10.001 30.649 16.659 1.00 0.00 C ATOM 449 OH TYR A 28 -8.964 31.043 17.450 1.00 0.00 O ATOM 0 H TYR A 28 -13.644 27.966 16.297 1.00 0.00 H new ATOM 0 HA TYR A 28 -15.388 29.559 14.646 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -12.883 28.745 13.380 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.589 30.341 13.544 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -11.573 27.851 15.510 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -12.408 31.980 14.641 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.706 28.538 17.001 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.530 32.664 16.113 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.597 31.886 17.112 1.00 0.00 H new ATOM 459 N MET A 29 -15.855 27.799 12.846 1.00 0.00 N ATOM 460 CA MET A 29 -16.163 26.743 11.888 1.00 0.00 C ATOM 461 C MET A 29 -15.095 26.761 10.774 1.00 0.00 C ATOM 462 O MET A 29 -14.908 27.802 10.134 1.00 0.00 O ATOM 463 CB MET A 29 -17.589 26.886 11.363 1.00 0.00 C ATOM 464 CG MET A 29 -17.943 25.734 10.435 1.00 0.00 C ATOM 465 SD MET A 29 -17.844 24.127 11.253 1.00 0.00 S ATOM 466 CE MET A 29 -17.587 23.164 9.768 1.00 0.00 C ATOM 0 H MET A 29 -16.413 28.646 12.743 1.00 0.00 H new ATOM 0 HA MET A 29 -16.126 25.766 12.370 1.00 0.00 H new ATOM 0 HB2 MET A 29 -18.288 26.913 12.199 1.00 0.00 H new ATOM 0 HB3 MET A 29 -17.692 27.832 10.831 1.00 0.00 H new ATOM 0 HG2 MET A 29 -18.952 25.880 10.050 1.00 0.00 H new ATOM 0 HG3 MET A 29 -17.270 25.743 9.578 1.00 0.00 H new ATOM 0 HE1 MET A 29 -17.459 22.114 10.033 1.00 0.00 H new ATOM 0 HE2 MET A 29 -18.451 23.270 9.112 1.00 0.00 H new ATOM 0 HE3 MET A 29 -16.694 23.520 9.254 1.00 0.00 H new ATOM 476 N PHE A 30 -14.371 25.643 10.559 1.00 0.00 N ATOM 477 CA PHE A 30 -13.255 25.506 9.663 1.00 0.00 C ATOM 478 C PHE A 30 -13.565 24.598 8.461 1.00 0.00 C ATOM 479 O PHE A 30 -14.232 23.580 8.634 1.00 0.00 O ATOM 480 CB PHE A 30 -12.158 24.855 10.537 1.00 0.00 C ATOM 481 CG PHE A 30 -10.755 25.484 10.389 1.00 0.00 C ATOM 482 CD1 PHE A 30 -10.492 26.855 10.663 1.00 0.00 C ATOM 483 CD2 PHE A 30 -9.673 24.681 9.976 1.00 0.00 C ATOM 484 CE1 PHE A 30 -9.188 27.369 10.508 1.00 0.00 C ATOM 485 CE2 PHE A 30 -8.376 25.203 9.832 1.00 0.00 C ATOM 486 CZ PHE A 30 -8.133 26.552 10.095 1.00 0.00 C ATOM 0 H PHE A 30 -14.581 24.772 11.046 1.00 0.00 H new ATOM 0 HA PHE A 30 -12.973 26.468 9.236 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.461 24.918 11.582 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.094 23.796 10.287 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.292 27.503 10.990 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.845 23.636 9.764 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.002 28.413 10.712 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.567 24.560 9.518 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.140 26.960 9.980 1.00 0.00 H new ATOM 496 N LEU A 31 -13.081 24.923 7.252 1.00 0.00 N ATOM 497 CA LEU A 31 -13.288 24.142 6.055 1.00 0.00 C ATOM 498 C LEU A 31 -11.996 23.570 5.463 1.00 0.00 C ATOM 499 O LEU A 31 -11.081 24.343 5.183 1.00 0.00 O ATOM 500 CB LEU A 31 -14.023 25.020 5.030 1.00 0.00 C ATOM 501 CG LEU A 31 -15.490 24.635 4.835 1.00 0.00 C ATOM 502 CD1 LEU A 31 -15.547 23.284 4.138 1.00 0.00 C ATOM 503 CD2 LEU A 31 -16.302 24.623 6.138 1.00 0.00 C ATOM 0 H LEU A 31 -12.522 25.761 7.092 1.00 0.00 H new ATOM 0 HA LEU A 31 -13.887 23.271 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.968 26.061 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.508 24.954 4.072 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.958 25.402 4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.587 22.994 3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -15.049 23.352 3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.045 22.536 4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.333 24.341 5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.867 23.903 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.284 25.616 6.587 1.00 0.00 H new ATOM 515 N VAL A 32 -11.920 22.241 5.242 1.00 0.00 N ATOM 516 CA VAL A 32 -10.755 21.618 4.622 1.00 0.00 C ATOM 517 C VAL A 32 -11.126 21.131 3.218 1.00 0.00 C ATOM 518 O VAL A 32 -12.231 20.615 3.028 1.00 0.00 O ATOM 519 CB VAL A 32 -10.104 20.545 5.506 1.00 0.00 C ATOM 520 CG1 VAL A 32 -11.083 19.622 6.227 1.00 0.00 C ATOM 521 CG2 VAL A 32 -9.088 19.710 4.719 1.00 0.00 C ATOM 0 H VAL A 32 -12.661 21.585 5.489 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.971 22.368 4.515 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.596 21.114 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.528 18.899 6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.728 20.213 6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.693 19.094 5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.647 18.960 5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.590 19.214 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.304 20.361 4.333 1.00 0.00 H new ATOM 531 N LYS A 33 -10.217 21.295 2.237 1.00 0.00 N ATOM 532 CA LYS A 33 -10.476 20.879 0.866 1.00 0.00 C ATOM 533 C LYS A 33 -9.398 19.901 0.400 1.00 0.00 C ATOM 534 O LYS A 33 -8.251 20.323 0.242 1.00 0.00 O ATOM 535 CB LYS A 33 -10.626 22.112 -0.042 1.00 0.00 C ATOM 536 CG LYS A 33 -11.958 22.100 -0.810 1.00 0.00 C ATOM 537 CD LYS A 33 -12.117 20.932 -1.800 1.00 0.00 C ATOM 538 CE LYS A 33 -11.057 20.907 -2.908 1.00 0.00 C ATOM 539 NZ LYS A 33 -11.049 22.154 -3.696 1.00 0.00 N ATOM 0 H LYS A 33 -9.298 21.715 2.380 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.422 20.341 0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.563 23.017 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.799 22.144 -0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.776 22.063 -0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.056 23.038 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.074 19.993 -1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.105 20.988 -2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.073 20.752 -2.465 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.245 20.062 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.378 22.062 -4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.002 22.334 -4.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.761 22.947 -3.088 1.00 0.00 H new ATOM 553 N TRP A 34 -9.734 18.612 0.181 1.00 0.00 N ATOM 554 CA TRP A 34 -8.737 17.642 -0.243 1.00 0.00 C ATOM 555 C TRP A 34 -8.779 17.456 -1.767 1.00 0.00 C ATOM 556 O TRP A 34 -9.774 17.829 -2.388 1.00 0.00 O ATOM 557 CB TRP A 34 -8.954 16.304 0.474 1.00 0.00 C ATOM 558 CG TRP A 34 -8.894 16.222 1.971 1.00 0.00 C ATOM 559 CD1 TRP A 34 -9.817 16.691 2.842 1.00 0.00 C ATOM 560 CD2 TRP A 34 -7.862 15.602 2.793 1.00 0.00 C ATOM 561 NE1 TRP A 34 -9.432 16.409 4.138 1.00 0.00 N ATOM 562 CE2 TRP A 34 -8.229 15.732 4.168 1.00 0.00 C ATOM 563 CE3 TRP A 34 -6.652 14.936 2.508 1.00 0.00 C ATOM 564 CZ2 TRP A 34 -7.433 15.224 5.212 1.00 0.00 C ATOM 565 CZ3 TRP A 34 -5.852 14.428 3.548 1.00 0.00 C ATOM 566 CH2 TRP A 34 -6.237 14.568 4.890 1.00 0.00 C ATOM 0 H TRP A 34 -10.676 18.236 0.292 1.00 0.00 H new ATOM 0 HA TRP A 34 -7.750 18.019 0.026 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.933 15.932 0.171 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -8.213 15.606 0.084 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.722 17.210 2.564 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -9.968 16.668 4.967 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.337 14.815 1.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -7.738 15.338 6.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.928 13.923 3.310 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -5.611 14.170 5.675 1.00 0.00 H new ATOM 577 N GLN A 35 -7.724 16.875 -2.375 1.00 0.00 N ATOM 578 CA GLN A 35 -7.686 16.626 -3.826 1.00 0.00 C ATOM 579 C GLN A 35 -8.259 15.254 -4.182 1.00 0.00 C ATOM 580 O GLN A 35 -8.485 14.981 -5.359 1.00 0.00 O ATOM 581 CB GLN A 35 -6.229 16.742 -4.409 1.00 0.00 C ATOM 582 CG GLN A 35 -5.349 15.485 -4.290 1.00 0.00 C ATOM 583 CD GLN A 35 -4.811 15.297 -2.881 1.00 0.00 C ATOM 584 OE1 GLN A 35 -3.784 15.876 -2.539 1.00 0.00 O ATOM 585 NE2 GLN A 35 -5.502 14.511 -2.058 1.00 0.00 N ATOM 0 H GLN A 35 -6.886 16.570 -1.879 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.307 17.400 -4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.302 17.011 -5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.722 17.564 -3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.929 14.608 -4.576 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.516 15.558 -4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.351 14.050 -2.386 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.183 14.370 -1.100 1.00 0.00 H new ATOM 594 N ASP A 36 -8.458 14.402 -3.173 1.00 0.00 N ATOM 595 CA ASP A 36 -8.949 13.044 -3.292 1.00 0.00 C ATOM 596 C ASP A 36 -10.223 12.946 -2.468 1.00 0.00 C ATOM 597 O ASP A 36 -11.322 12.822 -3.009 1.00 0.00 O ATOM 598 CB ASP A 36 -7.827 12.098 -2.781 1.00 0.00 C ATOM 599 CG ASP A 36 -8.246 10.633 -2.762 1.00 0.00 C ATOM 600 OD1 ASP A 36 -9.178 10.283 -3.517 1.00 0.00 O ATOM 601 OD2 ASP A 36 -7.612 9.889 -1.983 1.00 0.00 O ATOM 0 H ASP A 36 -8.269 14.663 -2.205 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.189 12.760 -4.317 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.948 12.210 -3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.535 12.400 -1.775 1.00 0.00 H new ATOM 606 N LEU A 37 -10.072 13.045 -1.145 1.00 0.00 N ATOM 607 CA LEU A 37 -11.172 13.012 -0.203 1.00 0.00 C ATOM 608 C LEU A 37 -12.206 14.117 -0.474 1.00 0.00 C ATOM 609 O LEU A 37 -13.309 14.046 0.063 1.00 0.00 O ATOM 610 CB LEU A 37 -10.631 13.053 1.218 1.00 0.00 C ATOM 611 CG LEU A 37 -10.018 11.714 1.712 1.00 0.00 C ATOM 612 CD1 LEU A 37 -9.342 10.809 0.666 1.00 0.00 C ATOM 613 CD2 LEU A 37 -8.944 12.029 2.733 1.00 0.00 C ATOM 0 H LEU A 37 -9.161 13.152 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.712 12.074 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.871 13.832 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.438 13.339 1.893 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.881 11.162 2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.961 9.912 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.069 10.527 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.517 11.346 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.501 11.101 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.172 12.645 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.386 12.569 3.571 1.00 0.00 H new ATOM 625 N SER A 38 -11.881 15.118 -1.307 1.00 0.00 N ATOM 626 CA SER A 38 -12.801 16.193 -1.671 1.00 0.00 C ATOM 627 C SER A 38 -13.133 17.038 -0.434 1.00 0.00 C ATOM 628 O SER A 38 -12.326 17.120 0.493 1.00 0.00 O ATOM 629 CB SER A 38 -13.995 15.555 -2.445 1.00 0.00 C ATOM 630 OG SER A 38 -13.469 14.828 -3.542 1.00 0.00 O ATOM 0 H SER A 38 -10.964 15.200 -1.747 1.00 0.00 H new ATOM 0 HA SER A 38 -12.369 16.922 -2.357 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.565 14.896 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.680 16.328 -2.794 1.00 0.00 H new ATOM 0 HG SER A 38 -12.896 14.105 -3.211 1.00 0.00 H new ATOM 636 N GLU A 39 -14.289 17.700 -0.425 1.00 0.00 N ATOM 637 CA GLU A 39 -14.741 18.580 0.631 1.00 0.00 C ATOM 638 C GLU A 39 -14.871 17.886 1.988 1.00 0.00 C ATOM 639 O GLU A 39 -15.413 16.788 2.070 1.00 0.00 O ATOM 640 CB GLU A 39 -16.125 19.193 0.223 1.00 0.00 C ATOM 641 CG GLU A 39 -17.305 18.194 0.276 1.00 0.00 C ATOM 642 CD GLU A 39 -17.066 16.906 -0.513 1.00 0.00 C ATOM 643 OE1 GLU A 39 -16.702 17.044 -1.700 1.00 0.00 O ATOM 644 OE2 GLU A 39 -17.204 15.815 0.085 1.00 0.00 O ATOM 0 H GLU A 39 -14.959 17.629 -1.191 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.984 19.355 0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.346 20.033 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.048 19.593 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.505 17.939 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -18.199 18.683 -0.110 1.00 0.00 H new ATOM 651 N LYS A 40 -14.412 18.517 3.073 1.00 0.00 N ATOM 652 CA LYS A 40 -14.591 17.965 4.408 1.00 0.00 C ATOM 653 C LYS A 40 -14.664 19.141 5.375 1.00 0.00 C ATOM 654 O LYS A 40 -14.002 20.152 5.148 1.00 0.00 O ATOM 655 CB LYS A 40 -13.542 16.901 4.786 1.00 0.00 C ATOM 656 CG LYS A 40 -14.067 15.468 4.567 1.00 0.00 C ATOM 657 CD LYS A 40 -13.484 14.763 3.333 1.00 0.00 C ATOM 658 CE LYS A 40 -14.436 13.655 2.840 1.00 0.00 C ATOM 659 NZ LYS A 40 -15.380 14.144 1.811 1.00 0.00 N ATOM 0 H LYS A 40 -13.916 19.408 3.047 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.521 17.398 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.642 17.052 4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.258 17.027 5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.842 14.872 5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -15.152 15.502 4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -13.319 15.489 2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.513 14.333 3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.851 12.831 2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.997 13.258 3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.195 13.500 1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.709 15.097 2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.901 14.179 0.889 1.00 0.00 H new ATOM 673 N VAL A 41 -15.480 19.038 6.432 1.00 0.00 N ATOM 674 CA VAL A 41 -15.671 20.115 7.373 1.00 0.00 C ATOM 675 C VAL A 41 -15.102 19.742 8.735 1.00 0.00 C ATOM 676 O VAL A 41 -15.135 18.565 9.091 1.00 0.00 O ATOM 677 CB VAL A 41 -17.151 20.506 7.397 1.00 0.00 C ATOM 678 CG1 VAL A 41 -17.747 20.465 5.979 1.00 0.00 C ATOM 679 CG2 VAL A 41 -17.967 19.678 8.394 1.00 0.00 C ATOM 0 H VAL A 41 -16.020 18.200 6.646 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.117 21.001 7.062 1.00 0.00 H new ATOM 0 HB VAL A 41 -17.209 21.534 7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -18.799 20.746 6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -17.209 21.163 5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.656 19.457 5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.008 19.999 8.367 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.906 18.623 8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -17.569 19.822 9.398 1.00 0.00 H new ATOM 689 N VAL A 42 -14.588 20.721 9.494 1.00 0.00 N ATOM 690 CA VAL A 42 -14.044 20.467 10.821 1.00 0.00 C ATOM 691 C VAL A 42 -14.254 21.717 11.665 1.00 0.00 C ATOM 692 O VAL A 42 -14.587 22.783 11.151 1.00 0.00 O ATOM 693 CB VAL A 42 -12.551 20.053 10.784 1.00 0.00 C ATOM 694 CG1 VAL A 42 -12.259 18.867 9.863 1.00 0.00 C ATOM 695 CG2 VAL A 42 -11.636 21.218 10.399 1.00 0.00 C ATOM 0 H VAL A 42 -14.541 21.697 9.203 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.569 19.621 11.264 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.336 19.741 11.806 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.194 18.638 9.891 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.826 17.998 10.198 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.549 19.119 8.843 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.600 20.879 10.387 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.910 21.584 9.409 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -11.746 22.022 11.126 1.00 0.00 H new ATOM 705 N TYR A 43 -14.068 21.591 12.973 1.00 0.00 N ATOM 706 CA TYR A 43 -14.255 22.656 13.917 1.00 0.00 C ATOM 707 C TYR A 43 -12.889 23.052 14.455 1.00 0.00 C ATOM 708 O TYR A 43 -11.955 22.243 14.414 1.00 0.00 O ATOM 709 CB TYR A 43 -15.200 22.138 14.999 1.00 0.00 C ATOM 710 CG TYR A 43 -16.473 21.457 14.394 1.00 0.00 C ATOM 711 CD1 TYR A 43 -16.415 20.186 13.760 1.00 0.00 C ATOM 712 CD2 TYR A 43 -17.743 22.079 14.421 1.00 0.00 C ATOM 713 CE1 TYR A 43 -17.543 19.575 13.201 1.00 0.00 C ATOM 714 CE2 TYR A 43 -18.874 21.466 13.862 1.00 0.00 C ATOM 715 CZ TYR A 43 -18.783 20.213 13.251 1.00 0.00 C ATOM 716 OH TYR A 43 -19.886 19.624 12.708 1.00 0.00 O ATOM 0 H TYR A 43 -13.775 20.715 13.406 1.00 0.00 H new ATOM 0 HA TYR A 43 -14.700 23.548 13.477 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -14.671 21.422 15.629 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -15.503 22.965 15.641 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -15.466 19.673 13.708 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -17.844 23.050 14.883 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -17.454 18.607 12.730 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -19.828 21.970 13.905 1.00 0.00 H new ATOM 0 HH TYR A 43 -20.664 20.207 12.834 1.00 0.00 H new ATOM 726 N ARG A 44 -12.751 24.283 14.949 1.00 0.00 N ATOM 727 CA ARG A 44 -11.493 24.727 15.508 1.00 0.00 C ATOM 728 C ARG A 44 -11.826 25.602 16.701 1.00 0.00 C ATOM 729 O ARG A 44 -12.825 26.302 16.634 1.00 0.00 O ATOM 730 CB ARG A 44 -10.732 25.555 14.473 1.00 0.00 C ATOM 731 CG ARG A 44 -9.958 24.728 13.458 1.00 0.00 C ATOM 732 CD ARG A 44 -8.774 23.986 14.073 1.00 0.00 C ATOM 733 NE ARG A 44 -8.098 23.213 13.040 1.00 0.00 N ATOM 734 CZ ARG A 44 -8.506 22.015 12.607 1.00 0.00 C ATOM 735 NH1 ARG A 44 -9.616 21.430 13.083 1.00 0.00 N ATOM 736 NH2 ARG A 44 -7.773 21.390 11.689 1.00 0.00 N ATOM 0 H ARG A 44 -13.496 24.980 14.969 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.874 23.878 15.798 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.440 26.191 13.942 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.037 26.215 14.992 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.632 24.006 12.996 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.597 25.382 12.664 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.080 24.696 14.524 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.118 23.326 14.870 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.259 23.611 12.619 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.175 21.900 13.795 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.901 20.516 12.732 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.922 21.825 11.333 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.062 20.475 11.342 1.00 0.00 H new ATOM 750 N ARG A 45 -10.996 25.584 17.752 1.00 0.00 N ATOM 751 CA ARG A 45 -11.139 26.377 18.963 1.00 0.00 C ATOM 752 C ARG A 45 -9.783 27.015 19.286 1.00 0.00 C ATOM 753 O ARG A 45 -8.745 26.434 18.973 1.00 0.00 O ATOM 754 CB ARG A 45 -11.719 25.531 20.112 1.00 0.00 C ATOM 755 CG ARG A 45 -10.900 24.285 20.461 1.00 0.00 C ATOM 756 CD ARG A 45 -11.578 23.460 21.566 1.00 0.00 C ATOM 757 NE ARG A 45 -10.788 22.257 21.889 1.00 0.00 N ATOM 758 CZ ARG A 45 -10.980 21.013 21.408 1.00 0.00 C ATOM 759 NH1 ARG A 45 -12.080 20.679 20.731 1.00 0.00 N ATOM 760 NH2 ARG A 45 -10.050 20.068 21.575 1.00 0.00 N ATOM 0 H ARG A 45 -10.170 24.986 17.774 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.859 27.182 18.816 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -11.801 26.157 21.001 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.730 25.223 19.845 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.774 23.669 19.570 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.903 24.582 20.787 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.697 24.072 22.460 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.578 23.167 21.245 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.016 22.379 22.545 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.807 21.375 20.564 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.194 19.728 20.380 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.185 20.285 22.070 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.205 19.129 21.207 1.00 0.00 H new ATOM 774 N PHE A 46 -9.778 28.215 19.881 1.00 0.00 N ATOM 775 CA PHE A 46 -8.582 28.983 20.210 1.00 0.00 C ATOM 776 C PHE A 46 -7.457 28.142 20.810 1.00 0.00 C ATOM 777 O PHE A 46 -6.361 28.084 20.256 1.00 0.00 O ATOM 778 CB PHE A 46 -8.957 30.202 21.066 1.00 0.00 C ATOM 779 CG PHE A 46 -9.878 29.951 22.247 1.00 0.00 C ATOM 780 CD1 PHE A 46 -11.276 29.977 22.070 1.00 0.00 C ATOM 781 CD2 PHE A 46 -9.341 29.696 23.524 1.00 0.00 C ATOM 782 CE1 PHE A 46 -12.131 29.744 23.162 1.00 0.00 C ATOM 783 CE2 PHE A 46 -10.197 29.463 24.613 1.00 0.00 C ATOM 784 CZ PHE A 46 -11.591 29.487 24.434 1.00 0.00 C ATOM 0 H PHE A 46 -10.639 28.689 20.154 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.159 29.349 19.274 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.037 30.650 21.442 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -9.429 30.940 20.418 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.692 30.176 21.093 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.270 29.680 23.666 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -13.202 29.763 23.023 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.783 29.265 25.591 1.00 0.00 H new ATOM 0 HZ PHE A 46 -12.247 29.308 25.273 1.00 0.00 H new ATOM 794 N THR A 47 -7.740 27.484 21.932 1.00 0.00 N ATOM 795 CA THR A 47 -6.774 26.644 22.632 1.00 0.00 C ATOM 796 C THR A 47 -6.201 25.507 21.776 1.00 0.00 C ATOM 797 O THR A 47 -5.148 24.979 22.119 1.00 0.00 O ATOM 798 CB THR A 47 -7.377 26.123 23.948 1.00 0.00 C ATOM 799 OG1 THR A 47 -6.382 25.470 24.709 1.00 0.00 O ATOM 800 CG2 THR A 47 -8.554 25.168 23.719 1.00 0.00 C ATOM 0 H THR A 47 -8.654 27.520 22.384 1.00 0.00 H new ATOM 0 HA THR A 47 -5.918 27.278 22.861 1.00 0.00 H new ATOM 0 HB THR A 47 -7.758 26.989 24.489 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.700 25.103 24.109 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.941 24.831 24.680 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.342 25.686 23.172 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.217 24.307 23.141 1.00 0.00 H new ATOM 808 N GLU A 48 -6.863 25.129 20.678 1.00 0.00 N ATOM 809 CA GLU A 48 -6.417 24.090 19.773 1.00 0.00 C ATOM 810 C GLU A 48 -5.513 24.716 18.732 1.00 0.00 C ATOM 811 O GLU A 48 -4.487 24.134 18.401 1.00 0.00 O ATOM 812 CB GLU A 48 -7.596 23.410 19.095 1.00 0.00 C ATOM 813 CG GLU A 48 -8.227 22.352 19.995 1.00 0.00 C ATOM 814 CD GLU A 48 -7.319 21.165 20.294 1.00 0.00 C ATOM 815 OE1 GLU A 48 -6.570 20.765 19.380 1.00 0.00 O ATOM 816 OE2 GLU A 48 -7.427 20.669 21.438 1.00 0.00 O ATOM 0 H GLU A 48 -7.746 25.555 20.396 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.877 23.330 20.338 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.345 24.157 18.830 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.265 22.947 18.165 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.519 22.818 20.936 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.140 21.987 19.524 1.00 0.00 H new ATOM 823 N ILE A 49 -5.871 25.906 18.236 1.00 0.00 N ATOM 824 CA ILE A 49 -5.002 26.610 17.300 1.00 0.00 C ATOM 825 C ILE A 49 -3.635 26.735 17.991 1.00 0.00 C ATOM 826 O ILE A 49 -2.588 26.438 17.413 1.00 0.00 O ATOM 827 CB ILE A 49 -5.524 28.019 16.922 1.00 0.00 C ATOM 828 CG1 ILE A 49 -7.023 28.153 16.669 1.00 0.00 C ATOM 829 CG2 ILE A 49 -4.712 28.545 15.728 1.00 0.00 C ATOM 830 CD1 ILE A 49 -7.628 27.217 15.629 1.00 0.00 C ATOM 0 H ILE A 49 -6.739 26.390 18.464 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.954 26.050 16.366 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.375 28.630 17.812 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.543 27.994 17.614 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.226 29.179 16.362 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.071 29.537 15.453 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.659 28.603 16.002 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.830 27.869 14.881 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.697 27.412 15.542 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.149 27.386 14.665 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.471 26.183 15.935 1.00 0.00 H new ATOM 842 N TYR A 50 -3.681 27.162 19.259 1.00 0.00 N ATOM 843 CA TYR A 50 -2.517 27.352 20.100 1.00 0.00 C ATOM 844 C TYR A 50 -1.836 26.046 20.425 1.00 0.00 C ATOM 845 O TYR A 50 -0.634 25.954 20.239 1.00 0.00 O ATOM 846 CB TYR A 50 -2.916 28.073 21.393 1.00 0.00 C ATOM 847 CG TYR A 50 -3.735 29.358 21.144 1.00 0.00 C ATOM 848 CD1 TYR A 50 -3.600 30.079 19.932 1.00 0.00 C ATOM 849 CD2 TYR A 50 -4.654 29.845 22.104 1.00 0.00 C ATOM 850 CE1 TYR A 50 -4.343 31.240 19.695 1.00 0.00 C ATOM 851 CE2 TYR A 50 -5.397 31.014 21.862 1.00 0.00 C ATOM 852 CZ TYR A 50 -5.239 31.713 20.654 1.00 0.00 C ATOM 853 OH TYR A 50 -5.949 32.845 20.395 1.00 0.00 O ATOM 0 H TYR A 50 -4.557 27.388 19.731 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.806 27.964 19.545 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.498 27.394 22.016 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.016 28.326 21.953 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.912 29.726 19.178 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.786 29.312 23.034 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.222 31.774 18.764 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.091 31.375 22.607 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.531 33.047 21.157 1.00 0.00 H new ATOM 863 N GLU A 51 -2.567 25.045 20.916 1.00 0.00 N ATOM 864 CA GLU A 51 -1.930 23.778 21.260 1.00 0.00 C ATOM 865 C GLU A 51 -1.267 23.135 20.034 1.00 0.00 C ATOM 866 O GLU A 51 -0.181 22.571 20.144 1.00 0.00 O ATOM 867 CB GLU A 51 -2.850 22.835 22.047 1.00 0.00 C ATOM 868 CG GLU A 51 -2.071 21.652 22.643 1.00 0.00 C ATOM 869 CD GLU A 51 -0.897 22.110 23.505 1.00 0.00 C ATOM 870 OE1 GLU A 51 -1.149 22.750 24.549 1.00 0.00 O ATOM 871 OE2 GLU A 51 0.261 21.895 23.082 1.00 0.00 O ATOM 0 H GLU A 51 -3.573 25.084 21.080 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.122 23.999 21.958 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.341 23.389 22.848 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.636 22.460 21.391 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.745 21.042 23.244 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.702 21.019 21.836 1.00 0.00 H new ATOM 878 N PHE A 52 -1.893 23.249 18.857 1.00 0.00 N ATOM 879 CA PHE A 52 -1.330 22.727 17.612 1.00 0.00 C ATOM 880 C PHE A 52 0.004 23.385 17.379 1.00 0.00 C ATOM 881 O PHE A 52 1.040 22.737 17.275 1.00 0.00 O ATOM 882 CB PHE A 52 -2.177 23.082 16.375 1.00 0.00 C ATOM 883 CG PHE A 52 -1.426 22.838 15.028 1.00 0.00 C ATOM 884 CD1 PHE A 52 -0.582 23.785 14.363 1.00 0.00 C ATOM 885 CD2 PHE A 52 -1.583 21.583 14.412 1.00 0.00 C ATOM 886 CE1 PHE A 52 0.029 23.453 13.138 1.00 0.00 C ATOM 887 CE2 PHE A 52 -0.978 21.263 13.193 1.00 0.00 C ATOM 888 CZ PHE A 52 -0.176 22.204 12.543 1.00 0.00 C ATOM 0 H PHE A 52 -2.799 23.704 18.743 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.279 21.644 17.725 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.092 22.490 16.386 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.474 24.129 16.434 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.413 24.757 14.802 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.194 20.838 14.900 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.667 24.175 12.650 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.131 20.288 12.754 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.280 21.970 11.593 1.00 0.00 H new ATOM 898 N HIS A 53 -0.071 24.708 17.255 1.00 0.00 N ATOM 899 CA HIS A 53 1.078 25.516 16.952 1.00 0.00 C ATOM 900 C HIS A 53 2.180 25.295 17.964 1.00 0.00 C ATOM 901 O HIS A 53 3.349 25.163 17.617 1.00 0.00 O ATOM 902 CB HIS A 53 0.605 26.956 16.794 1.00 0.00 C ATOM 903 CG HIS A 53 1.365 27.772 15.801 1.00 0.00 C ATOM 904 ND1 HIS A 53 2.273 27.197 14.939 1.00 0.00 N ATOM 905 CD2 HIS A 53 1.345 29.109 15.485 1.00 0.00 C ATOM 906 CE1 HIS A 53 2.723 28.163 14.137 1.00 0.00 C ATOM 907 NE2 HIS A 53 2.203 29.360 14.419 1.00 0.00 N ATOM 0 H HIS A 53 -0.936 25.238 17.364 1.00 0.00 H new ATOM 0 HA HIS A 53 1.542 25.228 16.008 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.446 26.946 16.504 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.663 27.449 17.765 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.550 26.215 14.918 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.750 29.856 15.990 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.434 27.994 13.342 1.00 0.00 H new ATOM 915 N LYS A 54 1.769 25.208 19.218 1.00 0.00 N ATOM 916 CA LYS A 54 2.694 24.929 20.302 1.00 0.00 C ATOM 917 C LYS A 54 3.384 23.594 20.057 1.00 0.00 C ATOM 918 O LYS A 54 4.591 23.482 20.235 1.00 0.00 O ATOM 919 CB LYS A 54 1.999 24.867 21.663 1.00 0.00 C ATOM 920 CG LYS A 54 1.754 26.236 22.300 1.00 0.00 C ATOM 921 CD LYS A 54 0.948 26.121 23.605 1.00 0.00 C ATOM 922 CE LYS A 54 1.656 25.295 24.696 1.00 0.00 C ATOM 923 NZ LYS A 54 1.338 23.853 24.639 1.00 0.00 N ATOM 0 H LYS A 54 0.799 25.327 19.510 1.00 0.00 H new ATOM 0 HA LYS A 54 3.414 25.747 20.322 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.044 24.355 21.548 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.604 24.265 22.341 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.710 26.719 22.504 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.219 26.874 21.597 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.750 27.122 23.989 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.018 25.667 23.387 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.734 25.426 24.599 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.375 25.683 25.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.127 23.307 25.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.474 23.666 25.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.189 23.569 23.650 1.00 0.00 H new ATOM 937 N THR A 55 2.610 22.587 19.654 1.00 0.00 N ATOM 938 CA THR A 55 3.138 21.249 19.421 1.00 0.00 C ATOM 939 C THR A 55 4.113 21.273 18.266 1.00 0.00 C ATOM 940 O THR A 55 5.162 20.644 18.343 1.00 0.00 O ATOM 941 CB THR A 55 2.003 20.232 19.272 1.00 0.00 C ATOM 942 OG1 THR A 55 1.241 20.187 20.461 1.00 0.00 O ATOM 943 CG2 THR A 55 2.509 18.827 18.978 1.00 0.00 C ATOM 0 H THR A 55 1.609 22.677 19.482 1.00 0.00 H new ATOM 0 HA THR A 55 3.706 20.915 20.289 1.00 0.00 H new ATOM 0 HB THR A 55 1.398 20.561 18.427 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.655 20.971 20.504 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.662 18.148 18.882 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.077 18.832 18.048 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.151 18.494 19.793 1.00 0.00 H new ATOM 951 N LEU A 56 3.801 22.023 17.217 1.00 0.00 N ATOM 952 CA LEU A 56 4.706 22.159 16.100 1.00 0.00 C ATOM 953 C LEU A 56 6.020 22.699 16.631 1.00 0.00 C ATOM 954 O LEU A 56 7.068 22.121 16.380 1.00 0.00 O ATOM 955 CB LEU A 56 4.105 23.091 15.034 1.00 0.00 C ATOM 956 CG LEU A 56 4.778 23.178 13.663 1.00 0.00 C ATOM 957 CD1 LEU A 56 6.150 23.818 13.801 1.00 0.00 C ATOM 958 CD2 LEU A 56 4.910 21.871 12.862 1.00 0.00 C ATOM 0 H LEU A 56 2.928 22.543 17.123 1.00 0.00 H new ATOM 0 HA LEU A 56 4.874 21.194 15.621 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.071 22.785 14.875 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.079 24.097 15.453 1.00 0.00 H new ATOM 0 HG LEU A 56 4.090 23.787 13.077 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.624 23.877 12.821 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.044 24.821 14.214 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.767 23.215 14.467 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.404 22.075 11.912 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.501 21.153 13.431 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.919 21.458 12.674 1.00 0.00 H new ATOM 970 N LYS A 57 5.960 23.798 17.376 1.00 0.00 N ATOM 971 CA LYS A 57 7.156 24.407 17.921 1.00 0.00 C ATOM 972 C LYS A 57 7.885 23.534 18.947 1.00 0.00 C ATOM 973 O LYS A 57 9.089 23.699 19.135 1.00 0.00 O ATOM 974 CB LYS A 57 6.783 25.769 18.522 1.00 0.00 C ATOM 975 CG LYS A 57 6.684 26.908 17.485 1.00 0.00 C ATOM 976 CD LYS A 57 5.272 27.414 17.180 1.00 0.00 C ATOM 977 CE LYS A 57 5.292 28.742 16.411 1.00 0.00 C ATOM 978 NZ LYS A 57 5.872 29.853 17.187 1.00 0.00 N ATOM 0 H LYS A 57 5.093 24.281 17.613 1.00 0.00 H new ATOM 0 HA LYS A 57 7.865 24.530 17.102 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.827 25.677 19.038 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.526 26.039 19.273 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.282 27.748 17.839 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.135 26.566 16.554 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.736 26.665 16.597 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.724 27.543 18.113 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.862 28.613 15.491 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.274 29.002 16.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.590 30.759 16.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.527 29.809 18.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.909 29.776 17.182 1.00 0.00 H new ATOM 992 N GLU A 58 7.176 22.618 19.608 1.00 0.00 N ATOM 993 CA GLU A 58 7.744 21.734 20.609 1.00 0.00 C ATOM 994 C GLU A 58 8.489 20.612 19.897 1.00 0.00 C ATOM 995 O GLU A 58 9.672 20.397 20.151 1.00 0.00 O ATOM 996 CB GLU A 58 6.649 21.158 21.544 1.00 0.00 C ATOM 997 CG GLU A 58 6.056 22.277 22.462 1.00 0.00 C ATOM 998 CD GLU A 58 6.481 22.121 23.919 1.00 0.00 C ATOM 999 OE1 GLU A 58 7.687 21.881 24.141 1.00 0.00 O ATOM 1000 OE2 GLU A 58 5.591 22.260 24.787 1.00 0.00 O ATOM 0 H GLU A 58 6.178 22.473 19.456 1.00 0.00 H new ATOM 0 HA GLU A 58 8.433 22.299 21.237 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.853 20.711 20.947 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.071 20.363 22.159 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.377 23.252 22.095 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.968 22.256 22.400 1.00 0.00 H new ATOM 1007 N MET A 59 7.795 19.894 19.004 1.00 0.00 N ATOM 1008 CA MET A 59 8.396 18.803 18.269 1.00 0.00 C ATOM 1009 C MET A 59 9.508 19.319 17.361 1.00 0.00 C ATOM 1010 O MET A 59 10.612 18.782 17.373 1.00 0.00 O ATOM 1011 CB MET A 59 7.351 18.079 17.424 1.00 0.00 C ATOM 1012 CG MET A 59 6.088 17.527 18.109 1.00 0.00 C ATOM 1013 SD MET A 59 4.886 16.771 16.975 1.00 0.00 S ATOM 1014 CE MET A 59 4.593 18.127 15.807 1.00 0.00 C ATOM 0 H MET A 59 6.814 20.060 18.781 1.00 0.00 H new ATOM 0 HA MET A 59 8.815 18.104 18.993 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.027 18.766 16.642 1.00 0.00 H new ATOM 0 HB3 MET A 59 7.848 17.244 16.930 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.386 16.785 18.850 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.599 18.338 18.649 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.762 17.869 15.151 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.351 19.036 16.358 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.489 18.293 15.209 1.00 0.00 H new ATOM 1024 N PHE A 60 9.207 20.357 16.575 1.00 0.00 N ATOM 1025 CA PHE A 60 10.129 20.991 15.670 1.00 0.00 C ATOM 1026 C PHE A 60 10.678 22.260 16.366 1.00 0.00 C ATOM 1027 O PHE A 60 10.039 23.306 16.251 1.00 0.00 O ATOM 1028 CB PHE A 60 9.381 21.379 14.395 1.00 0.00 C ATOM 1029 CG PHE A 60 8.701 20.205 13.613 1.00 0.00 C ATOM 1030 CD1 PHE A 60 9.453 19.395 12.724 1.00 0.00 C ATOM 1031 CD2 PHE A 60 7.322 19.883 13.744 1.00 0.00 C ATOM 1032 CE1 PHE A 60 8.873 18.340 12.001 1.00 0.00 C ATOM 1033 CE2 PHE A 60 6.743 18.830 13.009 1.00 0.00 C ATOM 1034 CZ PHE A 60 7.513 18.057 12.137 1.00 0.00 C ATOM 0 H PHE A 60 8.280 20.782 16.562 1.00 0.00 H new ATOM 0 HA PHE A 60 10.949 20.321 15.412 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.614 22.108 14.655 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.081 21.878 13.725 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.507 19.596 12.599 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.706 20.457 14.421 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.482 17.745 11.337 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.690 18.618 13.121 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.062 17.252 11.576 1.00 0.00 H new ATOM 1044 N PRO A 61 11.824 22.270 17.077 1.00 0.00 N ATOM 1045 CA PRO A 61 12.305 23.493 17.706 1.00 0.00 C ATOM 1046 C PRO A 61 12.923 24.416 16.657 1.00 0.00 C ATOM 1047 O PRO A 61 13.109 25.602 16.900 1.00 0.00 O ATOM 1048 CB PRO A 61 13.321 23.052 18.753 1.00 0.00 C ATOM 1049 CG PRO A 61 13.925 21.800 18.133 1.00 0.00 C ATOM 1050 CD PRO A 61 12.770 21.196 17.331 1.00 0.00 C ATOM 0 HA PRO A 61 11.501 24.062 18.174 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.075 23.818 18.932 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.847 22.840 19.712 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.774 22.040 17.493 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.286 21.110 18.896 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.131 20.770 16.395 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.296 20.387 17.887 1.00 0.00 H new ATOM 1058 N ILE A 62 13.229 23.867 15.478 1.00 0.00 N ATOM 1059 CA ILE A 62 13.793 24.574 14.354 1.00 0.00 C ATOM 1060 C ILE A 62 12.741 25.497 13.778 1.00 0.00 C ATOM 1061 O ILE A 62 13.030 26.658 13.500 1.00 0.00 O ATOM 1062 CB ILE A 62 14.242 23.581 13.285 1.00 0.00 C ATOM 1063 CG1 ILE A 62 15.186 22.474 13.788 1.00 0.00 C ATOM 1064 CG2 ILE A 62 14.781 24.285 12.053 1.00 0.00 C ATOM 1065 CD1 ILE A 62 16.448 23.004 14.478 1.00 0.00 C ATOM 0 H ILE A 62 13.080 22.876 15.286 1.00 0.00 H new ATOM 0 HA ILE A 62 14.656 25.152 14.683 1.00 0.00 H new ATOM 0 HB ILE A 62 13.335 23.050 12.995 1.00 0.00 H new ATOM 0 HG12 ILE A 62 14.643 21.835 14.485 1.00 0.00 H new ATOM 0 HG13 ILE A 62 15.479 21.849 12.945 1.00 0.00 H new ATOM 0 HG21 ILE A 62 15.090 23.544 11.316 1.00 0.00 H new ATOM 0 HG22 ILE A 62 14.003 24.918 11.626 1.00 0.00 H new ATOM 0 HG23 ILE A 62 15.638 24.899 12.331 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.063 22.166 14.805 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.014 23.619 13.778 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.165 23.605 15.342 1.00 0.00 H new ATOM 1077 N GLU A 63 11.509 25.002 13.616 1.00 0.00 N ATOM 1078 CA GLU A 63 10.473 25.902 13.118 1.00 0.00 C ATOM 1079 C GLU A 63 10.287 27.052 14.120 1.00 0.00 C ATOM 1080 O GLU A 63 9.720 28.097 13.806 1.00 0.00 O ATOM 1081 CB GLU A 63 9.147 25.180 12.837 1.00 0.00 C ATOM 1082 CG GLU A 63 8.209 26.035 11.952 1.00 0.00 C ATOM 1083 CD GLU A 63 7.357 27.074 12.689 1.00 0.00 C ATOM 1084 OE1 GLU A 63 7.026 26.840 13.871 1.00 0.00 O ATOM 1085 OE2 GLU A 63 7.032 28.092 12.039 1.00 0.00 O ATOM 0 H GLU A 63 11.219 24.043 13.809 1.00 0.00 H new ATOM 0 HA GLU A 63 10.799 26.303 12.158 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.347 24.229 12.343 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.650 24.951 13.780 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.815 26.552 11.208 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.542 25.365 11.410 1.00 0.00 H new ATOM 1092 N ALA A 64 10.779 26.844 15.347 1.00 0.00 N ATOM 1093 CA ALA A 64 10.660 27.759 16.447 1.00 0.00 C ATOM 1094 C ALA A 64 11.994 28.289 16.907 1.00 0.00 C ATOM 1095 O ALA A 64 12.172 28.607 18.082 1.00 0.00 O ATOM 1096 CB ALA A 64 9.938 27.004 17.558 1.00 0.00 C ATOM 0 H ALA A 64 11.288 25.995 15.592 1.00 0.00 H new ATOM 0 HA ALA A 64 10.100 28.644 16.144 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.820 27.656 18.424 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.956 26.688 17.205 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.521 26.127 17.841 1.00 0.00 H new ATOM 1102 N GLY A 65 12.927 28.390 15.967 1.00 0.00 N ATOM 1103 CA GLY A 65 14.234 28.874 16.296 1.00 0.00 C ATOM 1104 C GLY A 65 15.003 29.253 15.065 1.00 0.00 C ATOM 1105 O GLY A 65 15.543 30.355 15.007 1.00 0.00 O ATOM 0 H GLY A 65 12.792 28.143 14.987 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.148 29.739 16.954 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.780 28.107 16.846 1.00 0.00 H new ATOM 1109 N ALA A 66 15.035 28.350 14.082 1.00 0.00 N ATOM 1110 CA ALA A 66 15.711 28.661 12.843 1.00 0.00 C ATOM 1111 C ALA A 66 14.754 29.327 11.884 1.00 0.00 C ATOM 1112 O ALA A 66 15.189 29.966 10.932 1.00 0.00 O ATOM 1113 CB ALA A 66 16.375 27.440 12.218 1.00 0.00 C ATOM 0 H ALA A 66 14.610 27.424 14.126 1.00 0.00 H new ATOM 0 HA ALA A 66 16.518 29.358 13.071 1.00 0.00 H new ATOM 0 HB1 ALA A 66 16.868 27.729 11.290 1.00 0.00 H new ATOM 0 HB2 ALA A 66 17.113 27.033 12.910 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.620 26.683 12.007 1.00 0.00 H new ATOM 1119 N ILE A 67 13.455 29.173 12.149 1.00 0.00 N ATOM 1120 CA ILE A 67 12.423 29.755 11.301 1.00 0.00 C ATOM 1121 C ILE A 67 11.673 30.850 12.050 1.00 0.00 C ATOM 1122 O ILE A 67 10.729 31.430 11.532 1.00 0.00 O ATOM 1123 CB ILE A 67 11.564 28.622 10.719 1.00 0.00 C ATOM 1124 CG1 ILE A 67 12.524 27.593 10.070 1.00 0.00 C ATOM 1125 CG2 ILE A 67 10.525 29.104 9.697 1.00 0.00 C ATOM 1126 CD1 ILE A 67 11.870 26.442 9.308 1.00 0.00 C ATOM 0 H ILE A 67 13.096 28.648 12.947 1.00 0.00 H new ATOM 0 HA ILE A 67 12.848 30.273 10.441 1.00 0.00 H new ATOM 0 HB ILE A 67 10.988 28.177 11.530 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.183 28.126 9.385 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.153 27.171 10.854 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.955 28.251 9.328 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.849 29.814 10.173 1.00 0.00 H new ATOM 0 HG23 ILE A 67 11.033 29.589 8.863 1.00 0.00 H new ATOM 0 HD11 ILE A 67 12.643 25.790 8.900 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.234 25.872 9.985 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.266 26.842 8.494 1.00 0.00 H new ATOM 1138 N ASN A 68 12.120 31.191 13.258 1.00 0.00 N ATOM 1139 CA ASN A 68 11.458 32.232 14.036 1.00 0.00 C ATOM 1140 C ASN A 68 11.943 33.669 13.798 1.00 0.00 C ATOM 1141 O ASN A 68 11.098 34.555 13.913 1.00 0.00 O ATOM 1142 CB ASN A 68 11.425 31.860 15.525 1.00 0.00 C ATOM 1143 CG ASN A 68 9.980 31.731 15.998 1.00 0.00 C ATOM 1144 OD1 ASN A 68 9.536 32.462 16.883 1.00 0.00 O ATOM 1145 ND2 ASN A 68 9.228 30.825 15.373 1.00 0.00 N ATOM 0 H ASN A 68 12.928 30.766 13.713 1.00 0.00 H new ATOM 0 HA ASN A 68 10.438 32.259 13.652 1.00 0.00 H new ATOM 0 HB2 ASN A 68 11.954 30.921 15.686 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.941 32.621 16.110 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.245 30.718 15.623 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.636 30.239 14.645 1.00 0.00 H new ATOM 1152 N PRO A 69 13.212 33.969 13.472 1.00 0.00 N ATOM 1153 CA PRO A 69 13.671 35.325 13.212 1.00 0.00 C ATOM 1154 C PRO A 69 13.522 35.736 11.748 1.00 0.00 C ATOM 1155 O PRO A 69 12.833 36.704 11.429 1.00 0.00 O ATOM 1156 CB PRO A 69 15.125 35.333 13.683 1.00 0.00 C ATOM 1157 CG PRO A 69 15.604 33.896 13.429 1.00 0.00 C ATOM 1158 CD PRO A 69 14.324 33.050 13.356 1.00 0.00 C ATOM 0 HA PRO A 69 13.067 36.063 13.741 1.00 0.00 H new ATOM 0 HB2 PRO A 69 15.721 36.057 13.127 1.00 0.00 H new ATOM 0 HB3 PRO A 69 15.202 35.599 14.737 1.00 0.00 H new ATOM 0 HG2 PRO A 69 16.173 33.829 12.502 1.00 0.00 H new ATOM 0 HG3 PRO A 69 16.258 33.552 14.230 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.276 32.501 12.416 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.302 32.312 14.158 1.00 0.00 H new ATOM 1166 N GLU A 70 14.174 34.997 10.857 1.00 0.00 N ATOM 1167 CA GLU A 70 14.156 35.223 9.419 1.00 0.00 C ATOM 1168 C GLU A 70 12.732 35.163 8.896 1.00 0.00 C ATOM 1169 O GLU A 70 12.370 35.909 7.988 1.00 0.00 O ATOM 1170 CB GLU A 70 15.037 34.147 8.705 1.00 0.00 C ATOM 1171 CG GLU A 70 14.704 32.679 9.127 1.00 0.00 C ATOM 1172 CD GLU A 70 15.523 31.697 8.297 1.00 0.00 C ATOM 1173 OE1 GLU A 70 16.766 31.759 8.415 1.00 0.00 O ATOM 1174 OE2 GLU A 70 14.893 30.919 7.549 1.00 0.00 O ATOM 0 H GLU A 70 14.748 34.198 11.126 1.00 0.00 H new ATOM 0 HA GLU A 70 14.562 36.213 9.210 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.909 34.243 7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.086 34.348 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.919 32.539 10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.640 32.485 8.989 1.00 0.00 H new ATOM 1181 N ASN A 71 11.934 34.283 9.499 1.00 0.00 N ATOM 1182 CA ASN A 71 10.543 34.109 9.158 1.00 0.00 C ATOM 1183 C ASN A 71 9.682 34.532 10.343 1.00 0.00 C ATOM 1184 O ASN A 71 8.702 33.865 10.664 1.00 0.00 O ATOM 1185 CB ASN A 71 10.291 32.657 8.694 1.00 0.00 C ATOM 1186 CG ASN A 71 9.391 32.606 7.472 1.00 0.00 C ATOM 1187 OD1 ASN A 71 9.764 33.039 6.386 1.00 0.00 O ATOM 1188 ND2 ASN A 71 8.196 32.058 7.652 1.00 0.00 N ATOM 0 H ASN A 71 12.251 33.667 10.248 1.00 0.00 H new ATOM 0 HA ASN A 71 10.265 34.746 8.319 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.243 32.178 8.465 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.835 32.090 9.505 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.546 31.984 6.870 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.928 31.711 8.573 1.00 0.00 H new ATOM 1195 N ARG A 72 10.025 35.668 10.972 1.00 0.00 N ATOM 1196 CA ARG A 72 9.233 36.228 12.068 1.00 0.00 C ATOM 1197 C ARG A 72 7.929 36.865 11.556 1.00 0.00 C ATOM 1198 O ARG A 72 7.683 38.050 11.769 1.00 0.00 O ATOM 1199 CB ARG A 72 10.047 37.234 12.905 1.00 0.00 C ATOM 1200 CG ARG A 72 9.362 37.477 14.259 1.00 0.00 C ATOM 1201 CD ARG A 72 10.371 37.799 15.370 1.00 0.00 C ATOM 1202 NE ARG A 72 9.809 37.503 16.696 1.00 0.00 N ATOM 1203 CZ ARG A 72 9.604 36.264 17.178 1.00 0.00 C ATOM 1204 NH1 ARG A 72 9.947 35.183 16.462 1.00 0.00 N ATOM 1205 NH2 ARG A 72 9.048 36.105 18.387 1.00 0.00 N ATOM 0 H ARG A 72 10.852 36.216 10.735 1.00 0.00 H new ATOM 0 HA ARG A 72 8.964 35.398 12.721 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.056 36.854 13.063 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.142 38.175 12.364 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.654 38.300 14.164 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.787 36.594 14.537 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.281 37.218 15.219 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.652 38.851 15.317 1.00 0.00 H new ATOM 0 HE ARG A 72 9.557 38.292 17.292 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.369 35.295 15.540 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.786 34.249 16.839 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.782 36.922 18.937 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.891 35.167 18.757 1.00 0.00 H new ATOM 1219 N ILE A 73 7.081 36.065 10.901 1.00 0.00 N ATOM 1220 CA ILE A 73 5.770 36.439 10.386 1.00 0.00 C ATOM 1221 C ILE A 73 4.813 35.260 10.597 1.00 0.00 C ATOM 1222 O ILE A 73 3.840 35.090 9.867 1.00 0.00 O ATOM 1223 CB ILE A 73 5.793 37.010 8.946 1.00 0.00 C ATOM 1224 CG1 ILE A 73 6.225 36.064 7.807 1.00 0.00 C ATOM 1225 CG2 ILE A 73 6.557 38.341 8.879 1.00 0.00 C ATOM 1226 CD1 ILE A 73 7.704 35.673 7.788 1.00 0.00 C ATOM 0 H ILE A 73 7.307 35.089 10.708 1.00 0.00 H new ATOM 0 HA ILE A 73 5.394 37.290 10.954 1.00 0.00 H new ATOM 0 HB ILE A 73 4.734 37.170 8.741 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.629 35.154 7.871 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.982 36.537 6.856 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.553 38.712 7.854 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.076 39.070 9.531 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.586 38.187 9.205 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.893 35.007 6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.316 36.569 7.686 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.958 35.164 8.718 1.00 0.00 H new ATOM 1238 N ILE A 74 5.094 34.463 11.638 1.00 0.00 N ATOM 1239 CA ILE A 74 4.300 33.329 12.089 1.00 0.00 C ATOM 1240 C ILE A 74 3.338 33.971 13.100 1.00 0.00 C ATOM 1241 O ILE A 74 3.776 34.844 13.853 1.00 0.00 O ATOM 1242 CB ILE A 74 5.213 32.259 12.731 1.00 0.00 C ATOM 1243 CG1 ILE A 74 6.297 31.728 11.768 1.00 0.00 C ATOM 1244 CG2 ILE A 74 4.348 31.083 13.209 1.00 0.00 C ATOM 1245 CD1 ILE A 74 7.578 31.293 12.504 1.00 0.00 C ATOM 0 H ILE A 74 5.925 34.606 12.212 1.00 0.00 H new ATOM 0 HA ILE A 74 3.770 32.804 11.295 1.00 0.00 H new ATOM 0 HB ILE A 74 5.730 32.737 13.564 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.898 30.882 11.208 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.544 32.502 11.042 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.985 30.324 13.663 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.626 31.438 13.944 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.819 30.652 12.359 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.307 30.928 11.781 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.995 32.144 13.042 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.339 30.498 13.211 1.00 0.00 H new ATOM 1257 N PRO A 75 2.043 33.612 13.140 1.00 0.00 N ATOM 1258 CA PRO A 75 1.085 34.259 14.018 1.00 0.00 C ATOM 1259 C PRO A 75 1.215 33.837 15.487 1.00 0.00 C ATOM 1260 O PRO A 75 0.312 33.219 16.051 1.00 0.00 O ATOM 1261 CB PRO A 75 -0.287 33.914 13.449 1.00 0.00 C ATOM 1262 CG PRO A 75 -0.032 32.509 12.930 1.00 0.00 C ATOM 1263 CD PRO A 75 1.362 32.626 12.326 1.00 0.00 C ATOM 0 HA PRO A 75 1.261 35.334 14.041 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.068 33.939 14.209 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -0.591 34.599 12.657 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.067 31.769 13.730 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.772 32.211 12.187 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.883 31.669 12.348 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.315 32.940 11.283 1.00 0.00 H new ATOM 1271 N HIS A 76 2.333 34.186 16.123 1.00 0.00 N ATOM 1272 CA HIS A 76 2.590 33.888 17.526 1.00 0.00 C ATOM 1273 C HIS A 76 1.922 34.970 18.386 1.00 0.00 C ATOM 1274 O HIS A 76 2.591 35.701 19.117 1.00 0.00 O ATOM 1275 CB HIS A 76 4.101 33.720 17.762 1.00 0.00 C ATOM 1276 CG HIS A 76 4.983 34.798 17.178 1.00 0.00 C ATOM 1277 ND1 HIS A 76 4.814 36.143 17.466 1.00 0.00 N ATOM 1278 CD2 HIS A 76 6.054 34.744 16.317 1.00 0.00 C ATOM 1279 CE1 HIS A 76 5.757 36.820 16.789 1.00 0.00 C ATOM 1280 NE2 HIS A 76 6.548 36.022 16.069 1.00 0.00 N ATOM 0 H HIS A 76 3.094 34.691 15.669 1.00 0.00 H new ATOM 0 HA HIS A 76 2.149 32.936 17.822 1.00 0.00 H new ATOM 0 HB2 HIS A 76 4.279 33.675 18.836 1.00 0.00 H new ATOM 0 HB3 HIS A 76 4.410 32.760 17.347 1.00 0.00 H new ATOM 0 HD1 HIS A 76 4.105 36.545 18.079 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.456 33.836 15.892 1.00 0.00 H new ATOM 0 HE1 HIS A 76 5.863 37.894 16.824 1.00 0.00 H new ATOM 1288 N LEU A 77 0.592 35.072 18.276 1.00 0.00 N ATOM 1289 CA LEU A 77 -0.243 36.038 18.980 1.00 0.00 C ATOM 1290 C LEU A 77 -0.791 35.415 20.274 1.00 0.00 C ATOM 1291 O LEU A 77 -0.900 34.191 20.363 1.00 0.00 O ATOM 1292 CB LEU A 77 -1.374 36.503 18.044 1.00 0.00 C ATOM 1293 CG LEU A 77 -0.951 37.655 17.112 1.00 0.00 C ATOM 1294 CD1 LEU A 77 0.111 37.239 16.089 1.00 0.00 C ATOM 1295 CD2 LEU A 77 -2.169 38.185 16.348 1.00 0.00 C ATOM 0 H LEU A 77 0.052 34.456 17.668 1.00 0.00 H new ATOM 0 HA LEU A 77 0.347 36.910 19.263 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.708 35.659 17.440 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.226 36.823 18.644 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.521 38.424 17.754 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.367 38.093 15.462 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.003 36.892 16.611 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.280 36.436 15.465 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.861 38.999 15.692 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.602 37.382 15.752 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.912 38.552 17.057 1.00 0.00 H new ATOM 1307 N PRO A 78 -1.130 36.236 21.287 1.00 0.00 N ATOM 1308 CA PRO A 78 -1.637 35.776 22.576 1.00 0.00 C ATOM 1309 C PRO A 78 -3.066 35.227 22.497 1.00 0.00 C ATOM 1310 O PRO A 78 -3.693 35.235 21.438 1.00 0.00 O ATOM 1311 CB PRO A 78 -1.566 37.008 23.486 1.00 0.00 C ATOM 1312 CG PRO A 78 -1.767 38.169 22.516 1.00 0.00 C ATOM 1313 CD PRO A 78 -1.024 37.688 21.272 1.00 0.00 C ATOM 0 HA PRO A 78 -1.045 34.941 22.951 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.339 36.986 24.254 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.607 37.074 24.000 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.822 38.352 22.314 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.351 39.099 22.904 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.466 38.104 20.367 1.00 0.00 H new ATOM 0 HD3 PRO A 78 0.019 38.005 21.292 1.00 0.00 H new ATOM 1321 N ALA A 79 -3.579 34.753 23.642 1.00 0.00 N ATOM 1322 CA ALA A 79 -4.920 34.196 23.778 1.00 0.00 C ATOM 1323 C ALA A 79 -5.970 35.318 23.872 1.00 0.00 C ATOM 1324 O ALA A 79 -5.629 36.452 24.214 1.00 0.00 O ATOM 1325 CB ALA A 79 -4.933 33.231 24.966 1.00 0.00 C ATOM 0 H ALA A 79 -3.055 34.749 24.517 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.193 33.624 22.891 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.931 32.807 25.079 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.216 32.429 24.791 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.662 33.769 25.875 1.00 0.00 H new ATOM 1430 N GLN A 86 -13.778 43.293 22.880 1.00 0.00 N ATOM 1431 CA GLN A 86 -13.537 43.482 21.449 1.00 0.00 C ATOM 1432 C GLN A 86 -12.137 43.018 21.043 1.00 0.00 C ATOM 1433 O GLN A 86 -11.897 42.698 19.879 1.00 0.00 O ATOM 1434 CB GLN A 86 -13.771 44.944 21.051 1.00 0.00 C ATOM 1435 CG GLN A 86 -15.228 45.369 21.279 1.00 0.00 C ATOM 1436 CD GLN A 86 -15.486 46.782 20.763 1.00 0.00 C ATOM 1437 OE1 GLN A 86 -16.254 46.974 19.825 1.00 0.00 O ATOM 1438 NE2 GLN A 86 -14.843 47.779 21.371 1.00 0.00 N ATOM 0 HA GLN A 86 -14.251 42.860 20.909 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -13.109 45.589 21.629 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -13.512 45.081 20.001 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -15.895 44.669 20.776 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -15.460 45.321 22.343 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.212 47.581 22.148 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.982 48.740 21.060 1.00 0.00 H new ATOM 1447 N ARG A 87 -11.224 42.949 22.015 1.00 0.00 N ATOM 1448 CA ARG A 87 -9.858 42.498 21.821 1.00 0.00 C ATOM 1449 C ARG A 87 -9.756 40.987 22.014 1.00 0.00 C ATOM 1450 O ARG A 87 -8.714 40.412 21.734 1.00 0.00 O ATOM 1451 CB ARG A 87 -8.934 43.271 22.786 1.00 0.00 C ATOM 1452 CG ARG A 87 -8.476 44.588 22.147 1.00 0.00 C ATOM 1453 CD ARG A 87 -7.353 44.324 21.132 1.00 0.00 C ATOM 1454 NE ARG A 87 -7.222 45.395 20.131 1.00 0.00 N ATOM 1455 CZ ARG A 87 -7.969 45.471 19.015 1.00 0.00 C ATOM 1456 NH1 ARG A 87 -9.101 44.772 18.899 1.00 0.00 N ATOM 1457 NH2 ARG A 87 -7.592 46.229 17.980 1.00 0.00 N ATOM 0 H ARG A 87 -11.426 43.213 22.979 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.540 42.704 20.799 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.460 43.475 23.718 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.067 42.660 23.037 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.318 45.072 21.651 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.125 45.272 22.919 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.408 44.213 21.664 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.545 43.379 20.623 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.525 46.121 20.293 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.409 44.170 19.663 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.657 44.840 18.047 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.724 46.763 18.028 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.172 46.273 17.142 1.00 0.00 H new ATOM 1471 N ALA A 88 -10.844 40.336 22.425 1.00 0.00 N ATOM 1472 CA ALA A 88 -10.937 38.887 22.510 1.00 0.00 C ATOM 1473 C ALA A 88 -11.484 38.386 21.178 1.00 0.00 C ATOM 1474 O ALA A 88 -11.114 37.315 20.697 1.00 0.00 O ATOM 1475 CB ALA A 88 -11.816 38.438 23.674 1.00 0.00 C ATOM 0 H ALA A 88 -11.698 40.814 22.712 1.00 0.00 H new ATOM 0 HA ALA A 88 -9.951 38.464 22.702 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.857 37.349 23.700 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.397 38.807 24.610 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.822 38.836 23.545 1.00 0.00 H new ATOM 1481 N ALA A 89 -12.363 39.194 20.583 1.00 0.00 N ATOM 1482 CA ALA A 89 -12.987 38.929 19.303 1.00 0.00 C ATOM 1483 C ALA A 89 -11.957 39.103 18.195 1.00 0.00 C ATOM 1484 O ALA A 89 -11.576 38.137 17.545 1.00 0.00 O ATOM 1485 CB ALA A 89 -14.206 39.837 19.115 1.00 0.00 C ATOM 0 H ALA A 89 -12.664 40.076 20.998 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.347 37.901 19.264 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.668 39.630 18.150 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.927 39.648 19.911 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.892 40.880 19.151 1.00 0.00 H new ATOM 1491 N GLU A 90 -11.505 40.338 17.987 1.00 0.00 N ATOM 1492 CA GLU A 90 -10.541 40.699 16.949 1.00 0.00 C ATOM 1493 C GLU A 90 -9.153 40.072 17.112 1.00 0.00 C ATOM 1494 O GLU A 90 -8.355 40.126 16.176 1.00 0.00 O ATOM 1495 CB GLU A 90 -10.512 42.233 16.848 1.00 0.00 C ATOM 1496 CG GLU A 90 -9.693 42.793 15.677 1.00 0.00 C ATOM 1497 CD GLU A 90 -9.954 44.283 15.476 1.00 0.00 C ATOM 1498 OE1 GLU A 90 -9.370 45.075 16.252 1.00 0.00 O ATOM 1499 OE2 GLU A 90 -10.747 44.608 14.568 1.00 0.00 O ATOM 0 H GLU A 90 -11.806 41.134 18.549 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.875 40.270 16.005 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.536 42.595 16.761 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -10.110 42.635 17.778 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.631 42.630 15.863 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.943 42.252 14.764 1.00 0.00 H new ATOM 1506 N ASN A 91 -8.847 39.453 18.257 1.00 0.00 N ATOM 1507 CA ASN A 91 -7.557 38.802 18.436 1.00 0.00 C ATOM 1508 C ASN A 91 -7.704 37.438 17.789 1.00 0.00 C ATOM 1509 O ASN A 91 -6.971 37.130 16.859 1.00 0.00 O ATOM 1510 CB ASN A 91 -7.155 38.668 19.927 1.00 0.00 C ATOM 1511 CG ASN A 91 -5.857 37.876 20.089 1.00 0.00 C ATOM 1512 OD1 ASN A 91 -5.079 37.747 19.150 1.00 0.00 O ATOM 1513 ND2 ASN A 91 -5.612 37.340 21.282 1.00 0.00 N ATOM 0 H ASN A 91 -9.471 39.392 19.062 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.762 39.394 17.983 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.034 39.660 20.363 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.955 38.173 20.478 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.757 36.804 21.435 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.279 37.465 22.044 1.00 0.00 H new ATOM 1520 N ARG A 92 -8.656 36.622 18.252 1.00 0.00 N ATOM 1521 CA ARG A 92 -8.861 35.307 17.669 1.00 0.00 C ATOM 1522 C ARG A 92 -9.318 35.395 16.217 1.00 0.00 C ATOM 1523 O ARG A 92 -8.952 34.548 15.401 1.00 0.00 O ATOM 1524 CB ARG A 92 -9.789 34.453 18.550 1.00 0.00 C ATOM 1525 CG ARG A 92 -11.277 34.808 18.412 1.00 0.00 C ATOM 1526 CD ARG A 92 -12.152 34.007 19.380 1.00 0.00 C ATOM 1527 NE ARG A 92 -12.079 34.529 20.755 1.00 0.00 N ATOM 1528 CZ ARG A 92 -12.665 33.940 21.815 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -13.334 32.788 21.662 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -12.593 34.497 23.031 1.00 0.00 N ATOM 0 H ARG A 92 -9.287 36.852 19.020 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.900 34.793 17.642 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.651 33.402 18.295 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.493 34.569 19.593 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.414 35.873 18.597 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.601 34.618 17.389 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.187 34.032 19.038 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.839 32.963 19.372 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.553 35.388 20.914 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.400 32.355 20.741 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.777 32.345 22.467 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.091 35.375 23.161 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.040 34.043 23.827 1.00 0.00 H new ATOM 1544 N GLN A 93 -10.111 36.422 15.893 1.00 0.00 N ATOM 1545 CA GLN A 93 -10.631 36.598 14.540 1.00 0.00 C ATOM 1546 C GLN A 93 -9.565 37.114 13.573 1.00 0.00 C ATOM 1547 O GLN A 93 -9.814 37.125 12.373 1.00 0.00 O ATOM 1548 CB GLN A 93 -11.895 37.468 14.528 1.00 0.00 C ATOM 1549 CG GLN A 93 -13.071 36.775 15.234 1.00 0.00 C ATOM 1550 CD GLN A 93 -14.253 37.713 15.477 1.00 0.00 C ATOM 1551 OE1 GLN A 93 -14.194 38.904 15.182 1.00 0.00 O ATOM 1552 NE2 GLN A 93 -15.342 37.180 16.031 1.00 0.00 N ATOM 0 H GLN A 93 -10.405 37.143 16.553 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.920 35.611 14.179 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.686 38.419 15.018 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.171 37.694 13.498 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -13.402 35.929 14.632 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -12.730 36.373 16.188 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -15.361 36.187 16.265 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -16.156 37.765 16.221 1.00 0.00 H new ATOM 1561 N GLY A 94 -8.387 37.518 14.069 1.00 0.00 N ATOM 1562 CA GLY A 94 -7.283 37.980 13.235 1.00 0.00 C ATOM 1563 C GLY A 94 -6.204 36.903 13.230 1.00 0.00 C ATOM 1564 O GLY A 94 -5.662 36.565 12.183 1.00 0.00 O ATOM 0 H GLY A 94 -8.178 37.531 15.067 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.630 38.175 12.220 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.882 38.917 13.621 1.00 0.00 H new ATOM 1568 N THR A 95 -5.912 36.357 14.414 1.00 0.00 N ATOM 1569 CA THR A 95 -4.936 35.306 14.645 1.00 0.00 C ATOM 1570 C THR A 95 -5.287 34.092 13.828 1.00 0.00 C ATOM 1571 O THR A 95 -4.413 33.551 13.162 1.00 0.00 O ATOM 1572 CB THR A 95 -4.876 34.946 16.142 1.00 0.00 C ATOM 1573 OG1 THR A 95 -4.396 36.049 16.875 1.00 0.00 O ATOM 1574 CG2 THR A 95 -3.985 33.730 16.468 1.00 0.00 C ATOM 0 H THR A 95 -6.375 36.655 15.273 1.00 0.00 H new ATOM 0 HA THR A 95 -3.953 35.666 14.339 1.00 0.00 H new ATOM 0 HB THR A 95 -5.896 34.681 16.420 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.152 36.592 17.182 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.999 33.546 17.542 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.362 32.852 15.944 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.963 33.932 16.148 1.00 0.00 H new ATOM 1582 N LEU A 96 -6.550 33.663 13.861 1.00 0.00 N ATOM 1583 CA LEU A 96 -6.896 32.507 13.052 1.00 0.00 C ATOM 1584 C LEU A 96 -6.905 32.886 11.580 1.00 0.00 C ATOM 1585 O LEU A 96 -6.402 32.142 10.751 1.00 0.00 O ATOM 1586 CB LEU A 96 -8.226 31.879 13.433 1.00 0.00 C ATOM 1587 CG LEU A 96 -8.406 30.546 12.672 1.00 0.00 C ATOM 1588 CD1 LEU A 96 -7.581 29.419 13.281 1.00 0.00 C ATOM 1589 CD2 LEU A 96 -9.803 30.070 12.923 1.00 0.00 C ATOM 0 H LEU A 96 -7.307 34.074 14.407 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.130 31.755 13.243 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.262 31.703 14.508 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.043 32.560 13.193 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.136 30.737 11.633 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.741 28.503 12.712 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.524 29.685 13.252 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.887 29.262 14.315 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.966 29.128 12.399 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.950 29.921 13.993 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.512 30.814 12.560 1.00 0.00 H new ATOM 1601 N THR A 97 -7.471 34.049 11.263 1.00 0.00 N ATOM 1602 CA THR A 97 -7.528 34.570 9.897 1.00 0.00 C ATOM 1603 C THR A 97 -6.144 34.604 9.262 1.00 0.00 C ATOM 1604 O THR A 97 -6.010 34.358 8.065 1.00 0.00 O ATOM 1605 CB THR A 97 -8.230 35.943 9.865 1.00 0.00 C ATOM 1606 OG1 THR A 97 -9.620 35.745 9.722 1.00 0.00 O ATOM 1607 CG2 THR A 97 -7.729 36.900 8.784 1.00 0.00 C ATOM 0 H THR A 97 -7.907 34.662 11.952 1.00 0.00 H new ATOM 0 HA THR A 97 -8.129 33.891 9.292 1.00 0.00 H new ATOM 0 HB THR A 97 -7.988 36.428 10.811 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.086 36.127 10.495 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.283 37.837 8.842 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.668 37.096 8.935 1.00 0.00 H new ATOM 0 HG23 THR A 97 -7.879 36.451 7.802 1.00 0.00 H new ATOM 1615 N GLU A 98 -5.122 34.885 10.068 1.00 0.00 N ATOM 1616 CA GLU A 98 -3.766 34.952 9.579 1.00 0.00 C ATOM 1617 C GLU A 98 -3.143 33.580 9.662 1.00 0.00 C ATOM 1618 O GLU A 98 -2.444 33.202 8.726 1.00 0.00 O ATOM 1619 CB GLU A 98 -2.988 36.024 10.356 1.00 0.00 C ATOM 1620 CG GLU A 98 -1.615 36.295 9.744 1.00 0.00 C ATOM 1621 CD GLU A 98 -0.874 37.355 10.551 1.00 0.00 C ATOM 1622 OE1 GLU A 98 -0.297 36.976 11.593 1.00 0.00 O ATOM 1623 OE2 GLU A 98 -0.918 38.527 10.122 1.00 0.00 O ATOM 0 H GLU A 98 -5.219 35.069 11.067 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.742 35.252 8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.565 36.948 10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.866 35.704 11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.032 35.374 9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.729 36.628 8.712 1.00 0.00 H new ATOM 1630 N TYR A 99 -3.402 32.812 10.724 1.00 0.00 N ATOM 1631 CA TYR A 99 -2.830 31.479 10.772 1.00 0.00 C ATOM 1632 C TYR A 99 -3.394 30.609 9.689 1.00 0.00 C ATOM 1633 O TYR A 99 -2.694 29.727 9.275 1.00 0.00 O ATOM 1634 CB TYR A 99 -2.885 30.676 12.087 1.00 0.00 C ATOM 1635 CG TYR A 99 -1.798 29.578 12.235 1.00 0.00 C ATOM 1636 CD1 TYR A 99 -0.580 29.581 11.496 1.00 0.00 C ATOM 1637 CD2 TYR A 99 -2.009 28.521 13.147 1.00 0.00 C ATOM 1638 CE1 TYR A 99 0.384 28.575 11.675 1.00 0.00 C ATOM 1639 CE2 TYR A 99 -1.042 27.514 13.327 1.00 0.00 C ATOM 1640 CZ TYR A 99 0.142 27.540 12.579 1.00 0.00 C ATOM 1641 OH TYR A 99 1.055 26.544 12.701 1.00 0.00 O ATOM 0 H TYR A 99 -3.977 33.079 11.523 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.774 31.718 10.644 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.794 31.370 12.922 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.866 30.207 12.167 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.394 30.372 10.784 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.927 28.485 13.715 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.308 28.603 11.116 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.213 26.722 14.041 1.00 0.00 H new ATOM 0 HH TYR A 99 1.200 26.348 13.650 1.00 0.00 H new ATOM 1651 N CYS A 100 -4.611 30.811 9.211 1.00 0.00 N ATOM 1652 CA CYS A 100 -5.142 29.983 8.140 1.00 0.00 C ATOM 1653 C CYS A 100 -4.292 30.218 6.898 1.00 0.00 C ATOM 1654 O CYS A 100 -3.793 29.273 6.285 1.00 0.00 O ATOM 1655 CB CYS A 100 -6.622 30.304 7.898 1.00 0.00 C ATOM 1656 SG CYS A 100 -7.258 29.232 6.589 1.00 0.00 S ATOM 0 H CYS A 100 -5.246 31.536 9.545 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.095 28.927 8.408 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -7.193 30.156 8.815 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -6.738 31.350 7.616 1.00 0.00 H new ATOM 0 HG CYS A 100 -8.513 29.499 6.381 1.00 0.00 H new ATOM 1662 N SER A 101 -4.104 31.493 6.556 1.00 0.00 N ATOM 1663 CA SER A 101 -3.294 31.873 5.411 1.00 0.00 C ATOM 1664 C SER A 101 -1.817 31.498 5.569 1.00 0.00 C ATOM 1665 O SER A 101 -1.148 31.167 4.595 1.00 0.00 O ATOM 1666 CB SER A 101 -3.452 33.387 5.219 1.00 0.00 C ATOM 1667 OG SER A 101 -4.819 33.705 5.046 1.00 0.00 O ATOM 0 H SER A 101 -4.507 32.281 7.063 1.00 0.00 H new ATOM 0 HA SER A 101 -3.641 31.324 4.536 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.052 33.917 6.084 1.00 0.00 H new ATOM 0 HB3 SER A 101 -2.880 33.715 4.351 1.00 0.00 H new ATOM 0 HG SER A 101 -5.221 33.906 5.917 1.00 0.00 H new ATOM 1673 N THR A 102 -1.311 31.576 6.799 1.00 0.00 N ATOM 1674 CA THR A 102 0.071 31.333 7.171 1.00 0.00 C ATOM 1675 C THR A 102 0.382 29.861 7.376 1.00 0.00 C ATOM 1676 O THR A 102 1.481 29.448 7.036 1.00 0.00 O ATOM 1677 CB THR A 102 0.446 32.289 8.320 1.00 0.00 C ATOM 1678 OG1 THR A 102 0.156 33.610 7.912 1.00 0.00 O ATOM 1679 CG2 THR A 102 1.905 32.264 8.751 1.00 0.00 C ATOM 0 H THR A 102 -1.890 31.824 7.601 1.00 0.00 H new ATOM 0 HA THR A 102 0.739 31.574 6.344 1.00 0.00 H new ATOM 0 HB THR A 102 -0.136 31.949 9.177 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.790 33.804 8.081 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.056 32.974 9.564 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.167 31.262 9.091 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.538 32.538 7.907 1.00 0.00 H new ATOM 1687 N LEU A 103 -0.563 29.054 7.862 1.00 0.00 N ATOM 1688 CA LEU A 103 -0.391 27.606 8.034 1.00 0.00 C ATOM 1689 C LEU A 103 -0.086 27.064 6.642 1.00 0.00 C ATOM 1690 O LEU A 103 0.729 26.157 6.501 1.00 0.00 O ATOM 1691 CB LEU A 103 -1.661 26.928 8.636 1.00 0.00 C ATOM 1692 CG LEU A 103 -1.663 26.151 9.976 1.00 0.00 C ATOM 1693 CD1 LEU A 103 -3.049 26.071 10.621 1.00 0.00 C ATOM 1694 CD2 LEU A 103 -1.165 24.700 9.930 1.00 0.00 C ATOM 0 H LEU A 103 -1.482 29.390 8.152 1.00 0.00 H new ATOM 0 HA LEU A 103 0.411 27.391 8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.410 27.714 8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.026 26.234 7.879 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.959 26.753 10.551 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.984 25.515 11.556 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.415 27.078 10.823 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.737 25.564 9.944 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.215 24.266 10.929 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.792 24.122 9.251 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.134 24.680 9.578 1.00 0.00 H new ATOM 1706 N MET A 104 -0.723 27.645 5.614 1.00 0.00 N ATOM 1707 CA MET A 104 -0.532 27.280 4.231 1.00 0.00 C ATOM 1708 C MET A 104 0.706 27.877 3.578 1.00 0.00 C ATOM 1709 O MET A 104 1.154 27.381 2.544 1.00 0.00 O ATOM 1710 CB MET A 104 -1.748 27.795 3.445 1.00 0.00 C ATOM 1711 CG MET A 104 -2.962 26.889 3.588 1.00 0.00 C ATOM 1712 SD MET A 104 -3.212 25.800 2.168 1.00 0.00 S ATOM 1713 CE MET A 104 -1.617 24.958 2.121 1.00 0.00 C ATOM 0 H MET A 104 -1.399 28.399 5.741 1.00 0.00 H new ATOM 0 HA MET A 104 -0.410 26.197 4.211 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.003 28.796 3.792 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.485 27.881 2.391 1.00 0.00 H new ATOM 0 HG2 MET A 104 -2.850 26.283 4.487 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.851 27.504 3.727 1.00 0.00 H new ATOM 0 HE1 MET A 104 -1.642 24.173 1.365 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.834 25.675 1.873 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.410 24.517 3.096 1.00 0.00 H new ATOM 1723 N SER A 105 1.227 28.950 4.164 1.00 0.00 N ATOM 1724 CA SER A 105 2.347 29.708 3.646 1.00 0.00 C ATOM 1725 C SER A 105 3.658 29.164 4.164 1.00 0.00 C ATOM 1726 O SER A 105 4.618 29.113 3.398 1.00 0.00 O ATOM 1727 CB SER A 105 2.221 31.208 4.017 1.00 0.00 C ATOM 1728 OG SER A 105 3.041 31.978 3.163 1.00 0.00 O ATOM 0 H SER A 105 0.865 29.324 5.041 1.00 0.00 H new ATOM 0 HA SER A 105 2.332 29.611 2.560 1.00 0.00 H new ATOM 0 HB2 SER A 105 1.183 31.529 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 105 2.514 31.362 5.055 1.00 0.00 H new ATOM 0 HG SER A 105 2.959 32.926 3.398 1.00 0.00 H new ATOM 1734 N LEU A 106 3.699 28.772 5.445 1.00 0.00 N ATOM 1735 CA LEU A 106 4.860 28.277 6.109 1.00 0.00 C ATOM 1736 C LEU A 106 5.870 27.549 5.221 1.00 0.00 C ATOM 1737 O LEU A 106 5.473 26.681 4.440 1.00 0.00 O ATOM 1738 CB LEU A 106 4.464 27.560 7.395 1.00 0.00 C ATOM 1739 CG LEU A 106 3.895 28.380 8.570 1.00 0.00 C ATOM 1740 CD1 LEU A 106 4.327 27.707 9.869 1.00 0.00 C ATOM 1741 CD2 LEU A 106 4.305 29.851 8.608 1.00 0.00 C ATOM 0 H LEU A 106 2.879 28.802 6.050 1.00 0.00 H new ATOM 0 HA LEU A 106 5.456 29.141 6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.724 26.804 7.134 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.345 27.031 7.760 1.00 0.00 H new ATOM 0 HG LEU A 106 2.813 28.392 8.436 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.936 28.269 10.717 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.938 26.689 9.898 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.415 27.681 9.921 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.850 30.333 9.473 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.390 29.925 8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.968 30.346 7.697 1.00 0.00 H new ATOM 1753 N PRO A 107 7.173 27.901 5.312 1.00 0.00 N ATOM 1754 CA PRO A 107 8.178 27.293 4.459 1.00 0.00 C ATOM 1755 C PRO A 107 8.529 25.895 4.902 1.00 0.00 C ATOM 1756 O PRO A 107 9.273 25.182 4.231 1.00 0.00 O ATOM 1757 CB PRO A 107 9.390 28.202 4.503 1.00 0.00 C ATOM 1758 CG PRO A 107 9.311 28.807 5.904 1.00 0.00 C ATOM 1759 CD PRO A 107 7.810 28.862 6.215 1.00 0.00 C ATOM 0 HA PRO A 107 7.798 27.191 3.442 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.317 27.648 4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.349 28.968 3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 107 9.845 28.195 6.631 1.00 0.00 H new ATOM 0 HG3 PRO A 107 9.759 29.800 5.933 1.00 0.00 H new ATOM 0 HD2 PRO A 107 7.618 28.604 7.257 1.00 0.00 H new ATOM 0 HD3 PRO A 107 7.416 29.866 6.057 1.00 0.00 H new ATOM 1767 N THR A 108 7.940 25.487 6.015 1.00 0.00 N ATOM 1768 CA THR A 108 8.076 24.165 6.554 1.00 0.00 C ATOM 1769 C THR A 108 7.016 23.350 5.856 1.00 0.00 C ATOM 1770 O THR A 108 6.288 22.619 6.496 1.00 0.00 O ATOM 1771 CB THR A 108 7.819 24.236 8.063 1.00 0.00 C ATOM 1772 OG1 THR A 108 6.871 25.238 8.374 1.00 0.00 O ATOM 1773 CG2 THR A 108 9.101 24.503 8.830 1.00 0.00 C ATOM 0 H THR A 108 7.340 26.092 6.576 1.00 0.00 H new ATOM 0 HA THR A 108 9.063 23.728 6.405 1.00 0.00 H new ATOM 0 HB THR A 108 7.423 23.266 8.363 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.725 25.260 9.343 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.884 24.547 9.897 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.814 23.701 8.638 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.527 25.453 8.507 1.00 0.00 H new ATOM 1781 N LYS A 109 6.905 23.458 4.538 1.00 0.00 N ATOM 1782 CA LYS A 109 5.887 22.696 3.835 1.00 0.00 C ATOM 1783 C LYS A 109 6.149 21.197 3.864 1.00 0.00 C ATOM 1784 O LYS A 109 5.224 20.415 3.671 1.00 0.00 O ATOM 1785 CB LYS A 109 5.674 23.264 2.408 1.00 0.00 C ATOM 1786 CG LYS A 109 4.372 22.750 1.774 1.00 0.00 C ATOM 1787 CD LYS A 109 4.085 23.501 0.467 1.00 0.00 C ATOM 1788 CE LYS A 109 2.748 23.090 -0.166 1.00 0.00 C ATOM 1789 NZ LYS A 109 2.745 21.684 -0.618 1.00 0.00 N ATOM 0 H LYS A 109 7.491 24.050 3.949 1.00 0.00 H new ATOM 0 HA LYS A 109 4.945 22.817 4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.652 24.353 2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.519 22.987 1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.452 21.681 1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.543 22.885 2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.076 24.573 0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.892 23.312 -0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.946 23.237 0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.536 23.741 -1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.827 21.461 -1.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.502 21.542 -1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.904 21.057 0.197 1.00 0.00 H new ATOM 1803 N ILE A 110 7.389 20.802 4.140 1.00 0.00 N ATOM 1804 CA ILE A 110 7.769 19.402 4.254 1.00 0.00 C ATOM 1805 C ILE A 110 7.602 18.936 5.701 1.00 0.00 C ATOM 1806 O ILE A 110 7.240 17.785 5.943 1.00 0.00 O ATOM 1807 CB ILE A 110 9.201 19.194 3.717 1.00 0.00 C ATOM 1808 CG1 ILE A 110 9.295 19.687 2.258 1.00 0.00 C ATOM 1809 CG2 ILE A 110 9.608 17.714 3.812 1.00 0.00 C ATOM 1810 CD1 ILE A 110 10.705 19.583 1.667 1.00 0.00 C ATOM 0 H ILE A 110 8.161 21.451 4.291 1.00 0.00 H new ATOM 0 HA ILE A 110 7.112 18.786 3.641 1.00 0.00 H new ATOM 0 HB ILE A 110 9.890 19.775 4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.608 19.107 1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 110 8.966 20.725 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.621 17.590 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.573 17.393 4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 110 8.920 17.109 3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 110 10.697 19.947 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.393 20.186 2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 110 11.030 18.543 1.681 1.00 0.00 H new ATOM 1822 N SER A 111 7.865 19.825 6.662 1.00 0.00 N ATOM 1823 CA SER A 111 7.785 19.511 8.079 1.00 0.00 C ATOM 1824 C SER A 111 6.356 19.577 8.602 1.00 0.00 C ATOM 1825 O SER A 111 5.929 18.731 9.386 1.00 0.00 O ATOM 1826 CB SER A 111 8.712 20.437 8.875 1.00 0.00 C ATOM 1827 OG SER A 111 9.918 20.669 8.174 1.00 0.00 O ATOM 0 H SER A 111 8.141 20.788 6.471 1.00 0.00 H new ATOM 0 HA SER A 111 8.117 18.481 8.213 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.209 21.385 9.065 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.931 19.992 9.846 1.00 0.00 H new ATOM 0 HG SER A 111 10.493 21.263 8.700 1.00 0.00 H new ATOM 1833 N ARG A 112 5.626 20.605 8.168 1.00 0.00 N ATOM 1834 CA ARG A 112 4.254 20.852 8.578 1.00 0.00 C ATOM 1835 C ARG A 112 3.245 20.025 7.806 1.00 0.00 C ATOM 1836 O ARG A 112 2.106 19.952 8.253 1.00 0.00 O ATOM 1837 CB ARG A 112 3.903 22.343 8.505 1.00 0.00 C ATOM 1838 CG ARG A 112 3.385 22.764 7.116 1.00 0.00 C ATOM 1839 CD ARG A 112 3.506 24.281 6.964 1.00 0.00 C ATOM 1840 NE ARG A 112 3.721 24.737 5.581 1.00 0.00 N ATOM 1841 CZ ARG A 112 2.798 24.855 4.614 1.00 0.00 C ATOM 1842 NH1 ARG A 112 1.629 24.211 4.698 1.00 0.00 N ATOM 1843 NH2 ARG A 112 3.072 25.637 3.563 1.00 0.00 N ATOM 0 H ARG A 112 5.983 21.298 7.510 1.00 0.00 H new ATOM 0 HA ARG A 112 4.192 20.534 9.619 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.146 22.571 9.255 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.786 22.933 8.753 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.958 22.263 6.336 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.346 22.458 6.996 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.599 24.746 7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.333 24.631 7.582 1.00 0.00 H new ATOM 0 HE ARG A 112 4.676 24.991 5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.429 23.620 5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.937 24.311 3.955 1.00 0.00 H new ATOM 0 HH21 ARG A 112 3.965 26.126 3.511 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.387 25.744 2.814 1.00 0.00 H new ATOM 1857 N CYS A 113 3.637 19.426 6.672 1.00 0.00 N ATOM 1858 CA CYS A 113 2.734 18.603 5.869 1.00 0.00 C ATOM 1859 C CYS A 113 1.926 17.657 6.770 1.00 0.00 C ATOM 1860 O CYS A 113 0.717 17.854 6.909 1.00 0.00 O ATOM 1861 CB CYS A 113 3.482 17.891 4.726 1.00 0.00 C ATOM 1862 SG CYS A 113 2.485 16.555 4.021 1.00 0.00 S ATOM 0 H CYS A 113 4.581 19.500 6.292 1.00 0.00 H new ATOM 0 HA CYS A 113 2.009 19.250 5.375 1.00 0.00 H new ATOM 0 HB2 CYS A 113 3.731 18.612 3.947 1.00 0.00 H new ATOM 0 HB3 CYS A 113 4.423 17.487 5.100 1.00 0.00 H new ATOM 0 HG CYS A 113 3.146 15.980 3.061 1.00 0.00 H new ATOM 1868 N PRO A 114 2.546 16.657 7.417 1.00 0.00 N ATOM 1869 CA PRO A 114 1.822 15.751 8.286 1.00 0.00 C ATOM 1870 C PRO A 114 1.152 16.448 9.451 1.00 0.00 C ATOM 1871 O PRO A 114 0.127 15.959 9.902 1.00 0.00 O ATOM 1872 CB PRO A 114 2.824 14.681 8.726 1.00 0.00 C ATOM 1873 CG PRO A 114 4.163 15.409 8.616 1.00 0.00 C ATOM 1874 CD PRO A 114 3.957 16.302 7.394 1.00 0.00 C ATOM 0 HA PRO A 114 0.988 15.298 7.750 1.00 0.00 H new ATOM 0 HB2 PRO A 114 2.631 14.339 9.743 1.00 0.00 H new ATOM 0 HB3 PRO A 114 2.787 13.802 8.082 1.00 0.00 H new ATOM 0 HG2 PRO A 114 4.383 15.991 9.511 1.00 0.00 H new ATOM 0 HG3 PRO A 114 4.992 14.715 8.476 1.00 0.00 H new ATOM 0 HD2 PRO A 114 4.588 17.190 7.444 1.00 0.00 H new ATOM 0 HD3 PRO A 114 4.217 15.778 6.474 1.00 0.00 H new ATOM 1882 N HIS A 115 1.684 17.575 9.928 1.00 0.00 N ATOM 1883 CA HIS A 115 1.042 18.281 11.024 1.00 0.00 C ATOM 1884 C HIS A 115 -0.332 18.777 10.548 1.00 0.00 C ATOM 1885 O HIS A 115 -1.352 18.448 11.154 1.00 0.00 O ATOM 1886 CB HIS A 115 1.966 19.343 11.654 1.00 0.00 C ATOM 1887 CG HIS A 115 1.751 19.574 13.141 1.00 0.00 C ATOM 1888 ND1 HIS A 115 1.847 20.697 13.933 1.00 0.00 N flip ATOM 1889 CD2 HIS A 115 1.380 18.561 14.018 1.00 0.00 C flip ATOM 1890 CE1 HIS A 115 1.546 20.404 15.258 1.00 0.00 C flip ATOM 1891 NE2 HIS A 115 1.272 19.101 15.245 1.00 0.00 N flip ATOM 0 H HIS A 115 2.539 18.006 9.578 1.00 0.00 H new ATOM 0 HA HIS A 115 0.855 17.609 11.862 1.00 0.00 H new ATOM 0 HB2 HIS A 115 3.002 19.044 11.493 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.821 20.287 11.129 1.00 0.00 H new ATOM 0 HD2 HIS A 115 1.209 17.526 13.760 1.00 0.00 H new ATOM 0 HE1 HIS A 115 1.537 21.077 16.102 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.009 18.570 16.075 1.00 0.00 H new ATOM 1899 N LEU A 116 -0.399 19.542 9.448 1.00 0.00 N ATOM 1900 CA LEU A 116 -1.665 20.013 8.941 1.00 0.00 C ATOM 1901 C LEU A 116 -2.614 18.845 8.657 1.00 0.00 C ATOM 1902 O LEU A 116 -3.753 18.815 9.115 1.00 0.00 O ATOM 1903 CB LEU A 116 -1.534 20.914 7.706 1.00 0.00 C ATOM 1904 CG LEU A 116 -2.740 21.859 7.537 1.00 0.00 C ATOM 1905 CD1 LEU A 116 -3.271 21.871 6.094 1.00 0.00 C ATOM 1906 CD2 LEU A 116 -3.977 21.588 8.356 1.00 0.00 C ATOM 0 H LEU A 116 0.413 19.838 8.906 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.089 20.633 9.731 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.621 21.505 7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.435 20.293 6.816 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.286 22.790 7.876 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.120 22.551 6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.483 22.205 5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.587 20.866 5.814 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.736 22.336 8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.361 20.596 8.117 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.729 21.636 9.416 1.00 0.00 H new ATOM 1918 N LEU A 117 -2.142 17.845 7.915 1.00 0.00 N ATOM 1919 CA LEU A 117 -2.940 16.653 7.668 1.00 0.00 C ATOM 1920 C LEU A 117 -3.433 16.083 8.999 1.00 0.00 C ATOM 1921 O LEU A 117 -4.582 15.686 9.081 1.00 0.00 O ATOM 1922 CB LEU A 117 -2.199 15.629 6.819 1.00 0.00 C ATOM 1923 CG LEU A 117 -2.138 15.929 5.301 1.00 0.00 C ATOM 1924 CD1 LEU A 117 -0.890 16.673 4.844 1.00 0.00 C ATOM 1925 CD2 LEU A 117 -2.191 14.585 4.606 1.00 0.00 C ATOM 0 H LEU A 117 -1.220 17.839 7.479 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.813 16.930 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.179 15.543 7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.673 14.657 6.959 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.969 16.590 5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.938 16.837 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.831 17.634 5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.006 16.081 5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.151 14.732 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.342 13.979 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.118 14.076 4.869 1.00 0.00 H new ATOM 1937 N ASP A 118 -2.617 16.080 10.049 1.00 0.00 N ATOM 1938 CA ASP A 118 -3.017 15.636 11.386 1.00 0.00 C ATOM 1939 C ASP A 118 -3.854 16.673 12.162 1.00 0.00 C ATOM 1940 O ASP A 118 -4.325 16.389 13.258 1.00 0.00 O ATOM 1941 CB ASP A 118 -1.746 15.388 12.215 1.00 0.00 C ATOM 1942 CG ASP A 118 -1.064 14.053 11.925 1.00 0.00 C ATOM 1943 OD1 ASP A 118 -1.712 13.193 11.286 1.00 0.00 O ATOM 1944 OD2 ASP A 118 0.096 13.911 12.369 1.00 0.00 O ATOM 0 H ASP A 118 -1.646 16.389 9.997 1.00 0.00 H new ATOM 0 HA ASP A 118 -3.627 14.744 11.244 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.038 16.195 12.025 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -2.001 15.431 13.274 1.00 0.00 H new ATOM 1949 N PHE A 119 -4.048 17.871 11.617 1.00 0.00 N ATOM 1950 CA PHE A 119 -4.821 18.986 12.172 1.00 0.00 C ATOM 1951 C PHE A 119 -6.256 18.674 11.768 1.00 0.00 C ATOM 1952 O PHE A 119 -7.213 18.855 12.520 1.00 0.00 O ATOM 1953 CB PHE A 119 -4.336 20.320 11.499 1.00 0.00 C ATOM 1954 CG PHE A 119 -4.203 21.661 12.234 1.00 0.00 C ATOM 1955 CD1 PHE A 119 -5.087 21.915 13.279 1.00 0.00 C ATOM 1956 CD2 PHE A 119 -3.230 22.650 11.919 1.00 0.00 C ATOM 1957 CE1 PHE A 119 -5.053 23.085 14.045 1.00 0.00 C ATOM 1958 CE2 PHE A 119 -3.190 23.817 12.707 1.00 0.00 C ATOM 1959 CZ PHE A 119 -4.087 24.047 13.757 1.00 0.00 C ATOM 0 H PHE A 119 -3.642 18.108 10.712 1.00 0.00 H new ATOM 0 HA PHE A 119 -4.714 19.103 13.250 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -3.354 20.107 11.078 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.010 20.499 10.661 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -5.836 21.172 13.510 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -2.541 22.510 11.099 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.762 23.240 14.845 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.439 24.563 12.493 1.00 0.00 H new ATOM 0 HZ PHE A 119 -4.031 24.957 14.336 1.00 0.00 H new ATOM 1969 N PHE A 120 -6.368 18.215 10.526 1.00 0.00 N ATOM 1970 CA PHE A 120 -7.585 17.889 9.828 1.00 0.00 C ATOM 1971 C PHE A 120 -8.073 16.459 9.976 1.00 0.00 C ATOM 1972 O PHE A 120 -9.221 16.246 10.349 1.00 0.00 O ATOM 1973 CB PHE A 120 -7.240 18.080 8.351 1.00 0.00 C ATOM 1974 CG PHE A 120 -7.040 19.477 7.829 1.00 0.00 C ATOM 1975 CD1 PHE A 120 -7.578 20.587 8.489 1.00 0.00 C ATOM 1976 CD2 PHE A 120 -6.327 19.653 6.639 1.00 0.00 C ATOM 1977 CE1 PHE A 120 -7.453 21.866 7.944 1.00 0.00 C ATOM 1978 CE2 PHE A 120 -6.211 20.933 6.079 1.00 0.00 C ATOM 1979 CZ PHE A 120 -6.780 22.034 6.730 1.00 0.00 C ATOM 0 H PHE A 120 -5.544 18.053 9.947 1.00 0.00 H new ATOM 0 HA PHE A 120 -8.379 18.515 10.235 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -6.328 17.519 8.150 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -8.034 17.619 7.764 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -8.094 20.453 9.428 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -5.867 18.805 6.153 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -7.873 22.719 8.456 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -5.683 21.069 5.147 1.00 0.00 H new ATOM 0 HZ PHE A 120 -6.699 23.018 6.292 1.00 0.00 H new ATOM 1989 N LYS A 121 -7.229 15.489 9.640 1.00 0.00 N ATOM 1990 CA LYS A 121 -7.571 14.077 9.669 1.00 0.00 C ATOM 1991 C LYS A 121 -7.915 13.596 11.076 1.00 0.00 C ATOM 1992 O LYS A 121 -8.669 12.637 11.232 1.00 0.00 O ATOM 1993 CB LYS A 121 -6.577 13.229 8.858 1.00 0.00 C ATOM 1994 CG LYS A 121 -5.429 12.614 9.658 1.00 0.00 C ATOM 1995 CD LYS A 121 -4.177 12.356 8.799 1.00 0.00 C ATOM 1996 CE LYS A 121 -4.445 11.630 7.469 1.00 0.00 C ATOM 1997 NZ LYS A 121 -3.277 11.696 6.571 1.00 0.00 N ATOM 0 H LYS A 121 -6.272 15.668 9.335 1.00 0.00 H new ATOM 0 HA LYS A 121 -8.509 13.927 9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -7.127 12.425 8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -6.154 13.852 8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -5.169 13.279 10.482 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -5.762 11.675 10.099 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -3.697 13.311 8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -3.469 11.767 9.382 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -4.695 10.588 7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -5.309 12.077 6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -3.601 11.751 5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -2.712 12.539 6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -2.694 10.844 6.697 1.00 0.00 H new ATOM 2011 N VAL A 122 -7.381 14.285 12.091 1.00 0.00 N ATOM 2012 CA VAL A 122 -7.633 13.977 13.490 1.00 0.00 C ATOM 2013 C VAL A 122 -8.822 14.786 13.988 1.00 0.00 C ATOM 2014 O VAL A 122 -9.674 14.220 14.672 1.00 0.00 O ATOM 2015 CB VAL A 122 -6.366 14.154 14.327 1.00 0.00 C ATOM 2016 CG1 VAL A 122 -6.566 13.635 15.757 1.00 0.00 C ATOM 2017 CG2 VAL A 122 -5.245 13.367 13.640 1.00 0.00 C ATOM 0 H VAL A 122 -6.756 15.079 11.955 1.00 0.00 H new ATOM 0 HA VAL A 122 -7.903 12.926 13.597 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.117 15.213 14.397 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -5.647 13.775 16.327 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -7.376 14.186 16.234 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -6.817 12.575 15.727 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.323 13.472 14.212 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -5.521 12.314 13.585 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.093 13.755 12.633 1.00 0.00 H new ATOM 2027 N ARG A 123 -8.901 16.080 13.629 1.00 0.00 N ATOM 2028 CA ARG A 123 -10.026 16.941 13.987 1.00 0.00 C ATOM 2029 C ARG A 123 -10.502 16.790 15.433 1.00 0.00 C ATOM 2030 O ARG A 123 -11.611 16.308 15.675 1.00 0.00 O ATOM 2031 CB ARG A 123 -11.152 16.820 12.943 1.00 0.00 C ATOM 2032 CG ARG A 123 -11.413 15.456 12.257 1.00 0.00 C ATOM 2033 CD ARG A 123 -12.126 14.347 13.051 1.00 0.00 C ATOM 2034 NE ARG A 123 -13.474 14.083 12.532 1.00 0.00 N ATOM 2035 CZ ARG A 123 -13.777 13.599 11.319 1.00 0.00 C ATOM 2036 NH1 ARG A 123 -12.822 13.106 10.519 1.00 0.00 N ATOM 2037 NH2 ARG A 123 -15.052 13.632 10.919 1.00 0.00 N ATOM 0 H ARG A 123 -8.181 16.552 13.082 1.00 0.00 H new ATOM 0 HA ARG A 123 -9.661 17.968 13.957 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -12.080 17.125 13.427 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.948 17.547 12.157 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -11.999 15.646 11.358 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -10.450 15.061 11.932 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -11.535 13.432 13.008 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -12.191 14.636 14.100 1.00 0.00 H new ATOM 0 HE ARG A 123 -14.256 14.288 13.155 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -11.851 13.096 10.831 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -13.066 12.741 9.598 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -15.769 14.019 11.532 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -15.308 13.270 10.000 1.00 0.00 H new ATOM 2051 N PRO A 124 -9.693 17.223 16.414 1.00 0.00 N ATOM 2052 CA PRO A 124 -10.040 17.122 17.821 1.00 0.00 C ATOM 2053 C PRO A 124 -11.118 18.094 18.295 1.00 0.00 C ATOM 2054 O PRO A 124 -11.142 18.484 19.461 1.00 0.00 O ATOM 2055 CB PRO A 124 -8.710 17.259 18.567 1.00 0.00 C ATOM 2056 CG PRO A 124 -7.953 18.241 17.673 1.00 0.00 C ATOM 2057 CD PRO A 124 -8.373 17.816 16.264 1.00 0.00 C ATOM 0 HA PRO A 124 -10.522 16.166 18.026 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -8.845 17.646 19.577 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -8.191 16.305 18.658 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -8.230 19.274 17.883 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -6.875 18.166 17.813 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -8.401 18.671 15.588 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -7.667 17.100 15.843 1.00 0.00 H new ATOM 2065 N ASP A 125 -12.037 18.446 17.396 1.00 0.00 N ATOM 2066 CA ASP A 125 -13.177 19.293 17.676 1.00 0.00 C ATOM 2067 C ASP A 125 -14.382 18.905 16.803 1.00 0.00 C ATOM 2068 O ASP A 125 -15.433 19.531 16.888 1.00 0.00 O ATOM 2069 CB ASP A 125 -12.713 20.757 17.557 1.00 0.00 C ATOM 2070 CG ASP A 125 -13.620 21.802 18.202 1.00 0.00 C ATOM 2071 OD1 ASP A 125 -14.149 21.521 19.301 1.00 0.00 O ATOM 2072 OD2 ASP A 125 -13.692 22.909 17.632 1.00 0.00 O ATOM 0 H ASP A 125 -12.000 18.135 16.425 1.00 0.00 H new ATOM 0 HA ASP A 125 -13.547 19.156 18.692 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -11.722 20.840 18.003 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.608 20.999 16.499 1.00 0.00 H new ATOM 2077 N ASP A 126 -14.243 17.845 15.991 1.00 0.00 N ATOM 2078 CA ASP A 126 -15.279 17.284 15.138 1.00 0.00 C ATOM 2079 C ASP A 126 -15.785 16.001 15.793 1.00 0.00 C ATOM 2080 O ASP A 126 -16.992 15.825 15.943 1.00 0.00 O ATOM 2081 CB ASP A 126 -14.681 16.965 13.761 1.00 0.00 C ATOM 2082 CG ASP A 126 -15.648 16.295 12.791 1.00 0.00 C ATOM 2083 OD1 ASP A 126 -15.957 15.105 13.020 1.00 0.00 O ATOM 2084 OD2 ASP A 126 -15.978 16.931 11.772 1.00 0.00 O ATOM 0 H ASP A 126 -13.361 17.339 15.915 1.00 0.00 H new ATOM 0 HA ASP A 126 -16.100 17.990 15.012 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -14.320 17.891 13.313 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -13.815 16.317 13.896 1.00 0.00 H new