USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 795 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 27 SER OG : rot 180:sc= 1.01 USER MOD Set 1.2: A 113 SER OG : rot 64:sc= 2.29 USER MOD Set 1.3: A 115 SER OG : rot 101:sc= 0.918 USER MOD Set 2.1: A 91 SER OG : rot 180:sc= -0.461 USER MOD Set 2.2: A 131 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 79 LYS NZ :NH3+ 160:sc= 0.464 (180deg=-0.17) USER MOD Set 3.2: A 82 GLN : amide:sc= 0.443 K(o=0.91,f=-3.3) USER MOD Set 4.1: A 68 SER OG : rot -54:sc= 0.43 USER MOD Set 4.2: A 126 HIS : no HE2:sc= -1.24 K(o=-0.81,f=-1.9) USER MOD Set 5.1: A 58 MET CE :methyl -119:sc= -1.85! (180deg=-1.66) USER MOD Set 5.2: A 98 THR OG1 : rot -135:sc= -0.119 USER MOD Set 5.3: A 127 SER OG : rot -119:sc= 0.799 USER MOD Set 6.1: A 38 THR OG1 : rot 165:sc= 1.46 USER MOD Set 6.2: A 47 GLN : amide:sc= -2.4 K(o=-0.94,f=-2.3) USER MOD Set 7.1: A 29 TYR OH : rot 180:sc= -0.446 USER MOD Set 7.2: A 76 GLN : amide:sc= -0.0564 X(o=-0.5,f=-0.52) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.04! C(o=-2!,f=-2.4!) USER MOD Single : A 42 SER OG : rot 131:sc= 1.11 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= -0.0122 (180deg=-0.127) USER MOD Single : A 45 GLN : amide:sc= 0.273 K(o=0.27,f=-0.36) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= -0.0273 (180deg=-0.212) USER MOD Single : A 57 HIS : +bothHN:sc= -0.933 K(o=-0.93,f=-4!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.00449 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.577 F(o=-2.9!,f=-0.58) USER MOD Single : A 63 SER OG : rot 87:sc= 1.76 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00922) USER MOD Single : A 70 GLN : amide:sc= 0.903 K(o=0.9,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -89:sc= 0.00307 USER MOD Single : A 85 ASN : amide:sc= -0.158 K(o=-0.16,f=-0.99) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 85:sc= 1.19 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0491 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -80:sc= 1.24 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.294 K(o=-0.29,f=-0.98) USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS :FLIP no HE2:sc= -1.88! C(o=-3.6!,f=-1.9!) USER MOD Single : A 120 SER OG : rot 162:sc= 0.282 USER MOD Single : A 122 ASN : amide:sc= -3.36! C(o=-3.4!,f=-14!) USER MOD Single : A 124 MET CE :methyl 158:sc= -0.179 (180deg=-0.849) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.440 -1.220 11.009 1.00 0.00 N ATOM 24 CA LEU A 26 -6.094 -0.854 10.596 1.00 0.00 C ATOM 25 C LEU A 26 -6.142 -0.058 9.304 1.00 0.00 C ATOM 26 O LEU A 26 -5.586 -0.463 8.289 1.00 0.00 O ATOM 27 CB LEU A 26 -5.211 -2.093 10.418 1.00 0.00 C ATOM 28 CG LEU A 26 -4.882 -2.860 11.700 1.00 0.00 C ATOM 29 CD1 LEU A 26 -3.978 -4.036 11.391 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.221 -1.950 12.726 1.00 0.00 C ATOM 0 HA LEU A 26 -5.657 -0.238 11.381 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.706 -2.774 9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.276 -1.786 9.949 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.817 -3.230 12.122 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.752 -4.573 12.312 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.479 -4.707 10.694 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.051 -3.675 10.945 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.998 -2.520 13.628 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.296 -1.547 12.313 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.895 -1.130 12.973 1.00 0.00 H new ATOM 42 N SER A 27 -6.820 1.071 9.342 1.00 0.00 N ATOM 43 CA SER A 27 -6.942 1.920 8.172 1.00 0.00 C ATOM 44 C SER A 27 -5.790 2.908 8.156 1.00 0.00 C ATOM 45 O SER A 27 -5.237 3.228 9.208 1.00 0.00 O ATOM 46 CB SER A 27 -8.276 2.664 8.216 1.00 0.00 C ATOM 47 OG SER A 27 -9.328 1.799 8.620 1.00 0.00 O ATOM 0 H SER A 27 -7.296 1.423 10.172 1.00 0.00 H new ATOM 0 HA SER A 27 -6.909 1.314 7.267 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.205 3.504 8.907 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.498 3.078 7.233 1.00 0.00 H new ATOM 0 HG SER A 27 -10.171 2.298 8.642 1.00 0.00 H new ATOM 53 N TRP A 28 -5.421 3.404 6.981 1.00 0.00 N ATOM 54 CA TRP A 28 -4.325 4.364 6.899 1.00 0.00 C ATOM 55 C TRP A 28 -4.773 5.752 7.362 1.00 0.00 C ATOM 56 O TRP A 28 -4.112 6.754 7.098 1.00 0.00 O ATOM 57 CB TRP A 28 -3.697 4.410 5.491 1.00 0.00 C ATOM 58 CG TRP A 28 -4.632 4.748 4.356 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.734 5.552 4.394 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.508 4.310 2.994 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.312 5.626 3.148 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.576 4.876 2.272 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.600 3.490 2.315 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.758 4.649 0.909 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.782 3.268 0.961 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.853 3.846 0.273 1.00 0.00 C ATOM 0 H TRP A 28 -5.853 3.165 6.089 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.544 4.022 7.578 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.890 5.142 5.500 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.245 3.440 5.285 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.100 6.057 5.276 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.153 6.154 2.915 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.771 3.038 2.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.585 5.092 0.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.086 2.638 0.427 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.968 3.654 -0.784 1.00 0.00 H new ATOM 77 N TYR A 29 -5.908 5.788 8.053 1.00 0.00 N ATOM 78 CA TYR A 29 -6.394 6.996 8.695 1.00 0.00 C ATOM 79 C TYR A 29 -6.213 6.875 10.205 1.00 0.00 C ATOM 80 O TYR A 29 -6.513 7.799 10.956 1.00 0.00 O ATOM 81 CB TYR A 29 -7.874 7.225 8.374 1.00 0.00 C ATOM 82 CG TYR A 29 -8.175 7.289 6.895 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.805 8.393 6.136 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.826 6.241 6.254 1.00 0.00 C ATOM 85 CE1 TYR A 29 -8.073 8.450 4.784 1.00 0.00 C ATOM 86 CE2 TYR A 29 -9.094 6.291 4.902 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.716 7.397 4.172 1.00 0.00 C ATOM 88 OH TYR A 29 -8.970 7.441 2.823 1.00 0.00 O ATOM 0 H TYR A 29 -6.514 4.978 8.181 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.823 7.845 8.319 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.461 6.422 8.820 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.198 8.155 8.842 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.299 9.220 6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.127 5.374 6.824 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.780 9.316 4.209 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.598 5.467 4.418 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.429 6.619 2.550 1.00 0.00 H new ATOM 98 N ASP A 30 -5.733 5.714 10.644 1.00 0.00 N ATOM 99 CA ASP A 30 -5.529 5.452 12.063 1.00 0.00 C ATOM 100 C ASP A 30 -4.091 5.734 12.461 1.00 0.00 C ATOM 101 O ASP A 30 -3.158 5.400 11.734 1.00 0.00 O ATOM 102 CB ASP A 30 -5.872 3.997 12.406 1.00 0.00 C ATOM 103 CG ASP A 30 -7.356 3.701 12.324 1.00 0.00 C ATOM 104 OD1 ASP A 30 -8.082 4.028 13.290 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.805 3.144 11.300 1.00 0.00 O ATOM 0 H ASP A 30 -5.478 4.938 10.033 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.192 6.115 12.618 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.337 3.334 11.726 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.518 3.774 13.413 1.00 0.00 H new ATOM 110 N PRO A 31 -3.898 6.345 13.637 1.00 0.00 N ATOM 111 CA PRO A 31 -2.568 6.668 14.159 1.00 0.00 C ATOM 112 C PRO A 31 -1.840 5.426 14.669 1.00 0.00 C ATOM 113 O PRO A 31 -0.655 5.471 15.000 1.00 0.00 O ATOM 114 CB PRO A 31 -2.871 7.632 15.306 1.00 0.00 C ATOM 115 CG PRO A 31 -4.226 7.239 15.774 1.00 0.00 C ATOM 116 CD PRO A 31 -4.970 6.776 14.551 1.00 0.00 C ATOM 0 HA PRO A 31 -1.910 7.089 13.399 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.134 7.543 16.104 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.853 8.668 14.969 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.166 6.445 16.518 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.735 8.080 16.245 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.653 5.958 14.782 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.568 7.578 14.118 1.00 0.00 H new ATOM 124 N ASP A 32 -2.570 4.319 14.727 1.00 0.00 N ATOM 125 CA ASP A 32 -2.007 3.039 15.142 1.00 0.00 C ATOM 126 C ASP A 32 -1.378 2.338 13.946 1.00 0.00 C ATOM 127 O ASP A 32 -0.647 1.358 14.096 1.00 0.00 O ATOM 128 CB ASP A 32 -3.091 2.131 15.730 1.00 0.00 C ATOM 129 CG ASP A 32 -3.979 2.829 16.741 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.583 2.937 17.917 1.00 0.00 O ATOM 131 OD2 ASP A 32 -5.097 3.248 16.365 1.00 0.00 O ATOM 0 H ASP A 32 -3.561 4.282 14.490 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.252 3.234 15.903 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.710 1.745 14.920 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.617 1.273 16.206 1.00 0.00 H new ATOM 136 N PHE A 33 -1.669 2.856 12.758 1.00 0.00 N ATOM 137 CA PHE A 33 -1.238 2.235 11.521 1.00 0.00 C ATOM 138 C PHE A 33 0.244 2.489 11.266 1.00 0.00 C ATOM 139 O PHE A 33 0.711 3.629 11.294 1.00 0.00 O ATOM 140 CB PHE A 33 -2.083 2.762 10.358 1.00 0.00 C ATOM 141 CG PHE A 33 -1.803 2.092 9.045 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.159 0.768 8.839 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.194 2.788 8.013 1.00 0.00 C ATOM 144 CE1 PHE A 33 -1.908 0.153 7.630 1.00 0.00 C ATOM 145 CE2 PHE A 33 -0.943 2.177 6.804 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.301 0.859 6.611 1.00 0.00 C ATOM 0 H PHE A 33 -2.207 3.713 12.630 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.379 1.157 11.605 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.138 2.634 10.602 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.908 3.833 10.252 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.637 0.213 9.632 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.913 3.821 8.158 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.186 -0.880 7.481 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.466 2.730 6.008 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.106 0.380 5.663 1.00 0.00 H new ATOM 156 N GLN A 34 0.975 1.414 11.035 1.00 0.00 N ATOM 157 CA GLN A 34 2.393 1.491 10.730 1.00 0.00 C ATOM 158 C GLN A 34 2.656 0.908 9.349 1.00 0.00 C ATOM 159 O GLN A 34 2.223 -0.204 9.048 1.00 0.00 O ATOM 160 CB GLN A 34 3.205 0.739 11.785 1.00 0.00 C ATOM 161 CG GLN A 34 3.293 1.459 13.117 1.00 0.00 C ATOM 162 CD GLN A 34 3.841 0.575 14.214 1.00 0.00 C ATOM 163 OE1 GLN A 34 5.052 0.502 14.428 1.00 0.00 O ATOM 164 NE2 GLN A 34 2.950 -0.099 14.922 1.00 0.00 N ATOM 0 H GLN A 34 0.604 0.464 11.053 1.00 0.00 H new ATOM 0 HA GLN A 34 2.700 2.537 10.738 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.758 -0.243 11.942 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.213 0.574 11.405 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.929 2.338 13.011 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.303 1.814 13.401 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.956 -0.009 14.710 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.257 -0.709 15.680 1.00 0.00 H new ATOM 173 N ALA A 35 3.349 1.664 8.511 1.00 0.00 N ATOM 174 CA ALA A 35 3.635 1.233 7.154 1.00 0.00 C ATOM 175 C ALA A 35 4.971 1.788 6.685 1.00 0.00 C ATOM 176 O ALA A 35 5.515 2.711 7.291 1.00 0.00 O ATOM 177 CB ALA A 35 2.522 1.672 6.214 1.00 0.00 C ATOM 0 H ALA A 35 3.724 2.582 8.749 1.00 0.00 H new ATOM 0 HA ALA A 35 3.692 0.145 7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.750 1.342 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.579 1.230 6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.438 2.759 6.231 1.00 0.00 H new ATOM 183 N ARG A 36 5.491 1.217 5.613 1.00 0.00 N ATOM 184 CA ARG A 36 6.753 1.656 5.045 1.00 0.00 C ATOM 185 C ARG A 36 6.727 1.516 3.529 1.00 0.00 C ATOM 186 O ARG A 36 6.128 0.585 2.992 1.00 0.00 O ATOM 187 CB ARG A 36 7.913 0.826 5.608 1.00 0.00 C ATOM 188 CG ARG A 36 7.775 -0.662 5.321 1.00 0.00 C ATOM 189 CD ARG A 36 9.077 -1.279 4.830 1.00 0.00 C ATOM 190 NE ARG A 36 10.119 -1.280 5.852 1.00 0.00 N ATOM 191 CZ ARG A 36 10.993 -2.272 6.007 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.961 -3.329 5.199 1.00 0.00 N ATOM 193 NH2 ARG A 36 11.911 -2.210 6.958 1.00 0.00 N ATOM 0 H ARG A 36 5.054 0.442 5.115 1.00 0.00 H new ATOM 0 HA ARG A 36 6.898 2.703 5.311 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.850 1.187 5.183 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.972 0.978 6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.451 -1.176 6.226 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.998 -0.815 4.572 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.890 -2.303 4.506 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.429 -0.728 3.958 1.00 0.00 H new ATOM 0 HE ARG A 36 10.181 -0.479 6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.264 -3.382 4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.633 -4.086 5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.951 -1.400 7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.579 -2.973 7.073 1.00 0.00 H new ATOM 206 N LEU A 37 7.357 2.456 2.850 1.00 0.00 N ATOM 207 CA LEU A 37 7.585 2.342 1.421 1.00 0.00 C ATOM 208 C LEU A 37 8.997 1.831 1.198 1.00 0.00 C ATOM 209 O LEU A 37 9.952 2.379 1.753 1.00 0.00 O ATOM 210 CB LEU A 37 7.390 3.693 0.732 1.00 0.00 C ATOM 211 CG LEU A 37 5.958 4.231 0.754 1.00 0.00 C ATOM 212 CD1 LEU A 37 5.922 5.665 0.263 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.051 3.363 -0.103 1.00 0.00 C ATOM 0 H LEU A 37 7.722 3.312 3.268 1.00 0.00 H new ATOM 0 HA LEU A 37 6.866 1.645 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.044 4.424 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.713 3.604 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 37 5.598 4.205 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.896 6.032 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.543 6.286 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.301 5.710 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.036 3.760 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.413 3.362 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.052 2.344 0.283 1.00 0.00 H new ATOM 225 N THR A 38 9.117 0.767 0.421 1.00 0.00 N ATOM 226 CA THR A 38 10.405 0.122 0.197 1.00 0.00 C ATOM 227 C THR A 38 11.416 1.090 -0.410 1.00 0.00 C ATOM 228 O THR A 38 11.056 1.991 -1.173 1.00 0.00 O ATOM 229 CB THR A 38 10.268 -1.113 -0.714 1.00 0.00 C ATOM 230 OG1 THR A 38 9.706 -0.743 -1.982 1.00 0.00 O ATOM 231 CG2 THR A 38 9.396 -2.172 -0.059 1.00 0.00 C ATOM 0 H THR A 38 8.336 0.329 -0.068 1.00 0.00 H new ATOM 0 HA THR A 38 10.767 -0.200 1.173 1.00 0.00 H new ATOM 0 HB THR A 38 11.265 -1.525 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.847 -1.468 -2.626 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.313 -3.035 -0.720 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.845 -2.480 0.885 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.404 -1.762 0.128 1.00 0.00 H new ATOM 239 N ARG A 39 12.683 0.898 -0.056 1.00 0.00 N ATOM 240 CA ARG A 39 13.776 1.730 -0.563 1.00 0.00 C ATOM 241 C ARG A 39 14.087 1.414 -2.025 1.00 0.00 C ATOM 242 O ARG A 39 15.237 1.164 -2.389 1.00 0.00 O ATOM 243 CB ARG A 39 15.035 1.558 0.303 1.00 0.00 C ATOM 244 CG ARG A 39 15.124 0.218 1.030 1.00 0.00 C ATOM 245 CD ARG A 39 15.199 -0.964 0.077 1.00 0.00 C ATOM 246 NE ARG A 39 14.863 -2.212 0.752 1.00 0.00 N ATOM 247 CZ ARG A 39 13.791 -2.940 0.461 1.00 0.00 C ATOM 248 NH1 ARG A 39 13.014 -2.598 -0.557 1.00 0.00 N ATOM 249 NH2 ARG A 39 13.500 -4.017 1.173 1.00 0.00 N ATOM 0 H ARG A 39 12.983 0.166 0.587 1.00 0.00 H new ATOM 0 HA ARG A 39 13.453 2.769 -0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.915 1.673 -0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.066 2.360 1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.004 0.217 1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.255 0.102 1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.516 -0.805 -0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.203 -1.033 -0.341 1.00 0.00 H new ATOM 0 HE ARG A 39 15.486 -2.544 1.488 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.239 -1.776 -1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.191 -3.157 -0.781 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.100 -4.292 1.950 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.675 -4.572 0.944 1.00 0.00 H new ATOM 262 N SER A 40 13.051 1.442 -2.847 1.00 0.00 N ATOM 263 CA SER A 40 13.172 1.142 -4.263 1.00 0.00 C ATOM 264 C SER A 40 13.928 2.261 -4.977 1.00 0.00 C ATOM 265 O SER A 40 15.072 2.078 -5.393 1.00 0.00 O ATOM 266 CB SER A 40 11.780 0.952 -4.873 1.00 0.00 C ATOM 267 OG SER A 40 11.854 0.434 -6.188 1.00 0.00 O ATOM 0 H SER A 40 12.103 1.673 -2.551 1.00 0.00 H new ATOM 0 HA SER A 40 13.736 0.218 -4.387 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.197 0.276 -4.247 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.255 1.907 -4.886 1.00 0.00 H new ATOM 0 HG SER A 40 10.949 0.323 -6.547 1.00 0.00 H new ATOM 273 N ASN A 41 13.295 3.421 -5.098 1.00 0.00 N ATOM 274 CA ASN A 41 13.921 4.564 -5.751 1.00 0.00 C ATOM 275 C ASN A 41 14.040 5.741 -4.796 1.00 0.00 C ATOM 276 O ASN A 41 15.039 6.458 -4.796 1.00 0.00 O ATOM 277 CB ASN A 41 13.132 4.989 -6.992 1.00 0.00 C ATOM 278 CG ASN A 41 13.216 3.988 -8.132 1.00 0.00 C ATOM 279 OD1 ASN A 41 12.270 3.837 -8.904 1.00 0.00 O ATOM 280 ND2 ASN A 41 14.352 3.323 -8.268 1.00 0.00 N ATOM 0 H ASN A 41 12.351 3.595 -4.754 1.00 0.00 H new ATOM 0 HA ASN A 41 14.921 4.255 -6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.086 5.130 -6.718 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.504 5.954 -7.337 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.465 2.658 -9.033 1.00 0.00 H new ATOM 0 HD22 ASN A 41 15.114 3.475 -7.608 1.00 0.00 H new ATOM 287 N SER A 42 13.019 5.937 -3.977 1.00 0.00 N ATOM 288 CA SER A 42 12.994 7.061 -3.060 1.00 0.00 C ATOM 289 C SER A 42 12.495 6.614 -1.692 1.00 0.00 C ATOM 290 O SER A 42 11.796 5.601 -1.571 1.00 0.00 O ATOM 291 CB SER A 42 12.097 8.169 -3.625 1.00 0.00 C ATOM 292 OG SER A 42 12.051 9.298 -2.770 1.00 0.00 O ATOM 0 H SER A 42 12.199 5.332 -3.930 1.00 0.00 H new ATOM 0 HA SER A 42 14.005 7.451 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.466 8.471 -4.605 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.088 7.782 -3.770 1.00 0.00 H new ATOM 0 HG SER A 42 12.213 10.111 -3.293 1.00 0.00 H new ATOM 298 N LYS A 43 12.870 7.378 -0.669 1.00 0.00 N ATOM 299 CA LYS A 43 12.477 7.097 0.711 1.00 0.00 C ATOM 300 C LYS A 43 10.960 7.121 0.866 1.00 0.00 C ATOM 301 O LYS A 43 10.414 6.535 1.798 1.00 0.00 O ATOM 302 CB LYS A 43 13.122 8.098 1.690 1.00 0.00 C ATOM 303 CG LYS A 43 12.631 9.540 1.560 1.00 0.00 C ATOM 304 CD LYS A 43 13.203 10.232 0.332 1.00 0.00 C ATOM 305 CE LYS A 43 12.691 11.657 0.182 1.00 0.00 C ATOM 306 NZ LYS A 43 13.052 12.514 1.347 1.00 0.00 N ATOM 0 H LYS A 43 13.454 8.208 -0.772 1.00 0.00 H new ATOM 0 HA LYS A 43 12.836 6.097 0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.936 7.758 2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.202 8.083 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.542 9.548 1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.910 10.099 2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.291 10.244 0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.944 9.659 -0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.101 12.094 -0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.607 11.641 0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.818 13.505 1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.519 12.204 2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.071 12.432 1.536 1.00 0.00 H new ATOM 319 N CYS A 44 10.289 7.798 -0.055 1.00 0.00 N ATOM 320 CA CYS A 44 8.837 7.847 -0.064 1.00 0.00 C ATOM 321 C CYS A 44 8.309 7.545 -1.463 1.00 0.00 C ATOM 322 O CYS A 44 7.369 8.182 -1.940 1.00 0.00 O ATOM 323 CB CYS A 44 8.341 9.209 0.426 1.00 0.00 C ATOM 324 SG CYS A 44 8.651 9.516 2.198 1.00 0.00 S ATOM 0 H CYS A 44 10.732 8.323 -0.809 1.00 0.00 H new ATOM 0 HA CYS A 44 8.457 7.087 0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.824 9.992 -0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.270 9.284 0.236 1.00 0.00 H new ATOM 329 N GLN A 45 8.935 6.572 -2.115 1.00 0.00 N ATOM 330 CA GLN A 45 8.496 6.111 -3.423 1.00 0.00 C ATOM 331 C GLN A 45 8.905 4.659 -3.614 1.00 0.00 C ATOM 332 O GLN A 45 10.069 4.362 -3.912 1.00 0.00 O ATOM 333 CB GLN A 45 9.089 6.968 -4.543 1.00 0.00 C ATOM 334 CG GLN A 45 8.692 6.516 -5.942 1.00 0.00 C ATOM 335 CD GLN A 45 9.477 7.222 -7.029 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.920 8.359 -6.861 1.00 0.00 O ATOM 337 NE2 GLN A 45 9.645 6.557 -8.160 1.00 0.00 N ATOM 0 H GLN A 45 9.755 6.085 -1.754 1.00 0.00 H new ATOM 0 HA GLN A 45 7.411 6.199 -3.470 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.773 8.002 -4.402 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.176 6.953 -4.462 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.845 5.440 -6.029 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.628 6.699 -6.090 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.263 5.617 -8.260 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.157 6.984 -8.932 1.00 0.00 H new ATOM 346 N GLY A 46 7.957 3.762 -3.426 1.00 0.00 N ATOM 347 CA GLY A 46 8.248 2.351 -3.544 1.00 0.00 C ATOM 348 C GLY A 46 7.042 1.492 -3.244 1.00 0.00 C ATOM 349 O GLY A 46 5.906 1.964 -3.315 1.00 0.00 O ATOM 0 H GLY A 46 6.989 3.984 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.602 2.138 -4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.057 2.090 -2.861 1.00 0.00 H new ATOM 353 N GLN A 47 7.289 0.233 -2.901 1.00 0.00 N ATOM 354 CA GLN A 47 6.219 -0.708 -2.602 1.00 0.00 C ATOM 355 C GLN A 47 5.703 -0.460 -1.195 1.00 0.00 C ATOM 356 O GLN A 47 6.477 -0.135 -0.293 1.00 0.00 O ATOM 357 CB GLN A 47 6.700 -2.164 -2.714 1.00 0.00 C ATOM 358 CG GLN A 47 7.083 -2.625 -4.121 1.00 0.00 C ATOM 359 CD GLN A 47 8.325 -1.944 -4.662 1.00 0.00 C ATOM 360 OE1 GLN A 47 9.448 -2.361 -4.378 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.138 -0.922 -5.483 1.00 0.00 N ATOM 0 H GLN A 47 8.227 -0.160 -2.823 1.00 0.00 H new ATOM 0 HA GLN A 47 5.423 -0.554 -3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.563 -2.295 -2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.913 -2.818 -2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.244 -3.703 -4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.250 -2.434 -4.797 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.192 -0.604 -5.695 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.940 -0.452 -5.904 1.00 0.00 H new ATOM 370 N LEU A 48 4.404 -0.602 -1.008 1.00 0.00 N ATOM 371 CA LEU A 48 3.801 -0.378 0.295 1.00 0.00 C ATOM 372 C LEU A 48 3.801 -1.657 1.123 1.00 0.00 C ATOM 373 O LEU A 48 3.071 -2.605 0.822 1.00 0.00 O ATOM 374 CB LEU A 48 2.367 0.141 0.143 1.00 0.00 C ATOM 375 CG LEU A 48 1.666 0.539 1.451 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.381 1.706 2.119 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.208 0.889 1.188 1.00 0.00 C ATOM 0 H LEU A 48 3.746 -0.871 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 48 4.398 0.373 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.381 1.006 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.771 -0.628 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 48 1.703 -0.314 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.865 1.968 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.409 1.422 2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.382 2.565 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.274 1.169 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.155 1.724 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.302 0.025 0.761 1.00 0.00 H new ATOM 389 N GLU A 49 4.642 -1.686 2.145 1.00 0.00 N ATOM 390 CA GLU A 49 4.607 -2.755 3.129 1.00 0.00 C ATOM 391 C GLU A 49 3.933 -2.244 4.389 1.00 0.00 C ATOM 392 O GLU A 49 4.288 -1.185 4.908 1.00 0.00 O ATOM 393 CB GLU A 49 6.008 -3.278 3.465 1.00 0.00 C ATOM 394 CG GLU A 49 6.688 -4.028 2.334 1.00 0.00 C ATOM 395 CD GLU A 49 8.030 -4.596 2.752 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.989 -3.816 2.936 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.132 -5.829 2.911 1.00 0.00 O ATOM 0 H GLU A 49 5.358 -0.980 2.314 1.00 0.00 H new ATOM 0 HA GLU A 49 4.045 -3.587 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.636 -2.436 3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.938 -3.937 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.041 -4.838 1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.827 -3.357 1.487 1.00 0.00 H new ATOM 404 N VAL A 50 2.954 -2.981 4.866 1.00 0.00 N ATOM 405 CA VAL A 50 2.204 -2.574 6.038 1.00 0.00 C ATOM 406 C VAL A 50 2.462 -3.519 7.200 1.00 0.00 C ATOM 407 O VAL A 50 2.725 -4.707 7.001 1.00 0.00 O ATOM 408 CB VAL A 50 0.686 -2.504 5.751 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.385 -1.409 4.740 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.157 -3.842 5.252 1.00 0.00 C ATOM 0 H VAL A 50 2.657 -3.868 4.460 1.00 0.00 H new ATOM 0 HA VAL A 50 2.547 -1.575 6.305 1.00 0.00 H new ATOM 0 HB VAL A 50 0.180 -2.268 6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.688 -1.374 4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.715 -0.448 5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.912 -1.619 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.913 -3.761 5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.672 -4.116 4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.332 -4.607 6.008 1.00 0.00 H new ATOM 420 N TYR A 51 2.417 -2.977 8.407 1.00 0.00 N ATOM 421 CA TYR A 51 2.613 -3.765 9.611 1.00 0.00 C ATOM 422 C TYR A 51 1.270 -4.223 10.156 1.00 0.00 C ATOM 423 O TYR A 51 0.515 -3.431 10.724 1.00 0.00 O ATOM 424 CB TYR A 51 3.361 -2.946 10.670 1.00 0.00 C ATOM 425 CG TYR A 51 3.609 -3.692 11.967 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.643 -4.615 12.080 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.811 -3.467 13.086 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.870 -5.294 13.263 1.00 0.00 C ATOM 429 CE2 TYR A 51 3.035 -4.142 14.272 1.00 0.00 C ATOM 430 CZ TYR A 51 4.065 -5.051 14.356 1.00 0.00 C ATOM 431 OH TYR A 51 4.289 -5.725 15.538 1.00 0.00 O ATOM 0 H TYR A 51 2.245 -1.986 8.578 1.00 0.00 H new ATOM 0 HA TYR A 51 3.212 -4.641 9.362 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.318 -2.627 10.258 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.790 -2.043 10.886 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.280 -4.805 11.229 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.003 -2.753 13.026 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.674 -6.012 13.331 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.404 -3.957 15.129 1.00 0.00 H new ATOM 0 HH TYR A 51 3.635 -5.437 16.208 1.00 0.00 H new ATOM 441 N LEU A 52 0.973 -5.497 9.968 1.00 0.00 N ATOM 442 CA LEU A 52 -0.284 -6.059 10.425 1.00 0.00 C ATOM 443 C LEU A 52 -0.034 -7.099 11.513 1.00 0.00 C ATOM 444 O LEU A 52 1.023 -7.099 12.146 1.00 0.00 O ATOM 445 CB LEU A 52 -1.057 -6.684 9.257 1.00 0.00 C ATOM 446 CG LEU A 52 -1.348 -5.758 8.073 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.244 -6.462 7.071 1.00 0.00 C ATOM 448 CD2 LEU A 52 -1.993 -4.459 8.533 1.00 0.00 C ATOM 0 H LEU A 52 1.588 -6.163 9.500 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.888 -5.253 10.842 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.493 -7.542 8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.005 -7.064 9.637 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.400 -5.511 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.446 -5.796 6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.747 -7.362 6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.183 -6.735 7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.187 -3.823 7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.932 -4.679 9.040 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.322 -3.943 9.220 1.00 0.00 H new ATOM 460 N LYS A 53 -0.998 -7.990 11.717 1.00 0.00 N ATOM 461 CA LYS A 53 -0.940 -8.958 12.804 1.00 0.00 C ATOM 462 C LYS A 53 0.261 -9.897 12.666 1.00 0.00 C ATOM 463 O LYS A 53 0.893 -10.253 13.661 1.00 0.00 O ATOM 464 CB LYS A 53 -2.244 -9.767 12.847 1.00 0.00 C ATOM 465 CG LYS A 53 -2.305 -10.783 13.977 1.00 0.00 C ATOM 466 CD LYS A 53 -2.261 -10.115 15.340 1.00 0.00 C ATOM 467 CE LYS A 53 -2.272 -11.137 16.465 1.00 0.00 C ATOM 468 NZ LYS A 53 -1.061 -12.005 16.448 1.00 0.00 N ATOM 0 H LYS A 53 -1.835 -8.061 11.138 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.819 -8.408 13.738 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.083 -9.079 12.945 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.368 -10.287 11.897 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.220 -11.370 13.889 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.470 -11.478 13.886 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.364 -9.500 15.415 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.116 -9.447 15.446 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.333 -10.620 17.423 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.164 -11.758 16.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.998 -12.531 17.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.126 -12.676 15.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.212 -11.415 16.333 1.00 0.00 H new ATOM 481 N ASP A 54 0.582 -10.298 11.442 1.00 0.00 N ATOM 482 CA ASP A 54 1.667 -11.254 11.226 1.00 0.00 C ATOM 483 C ASP A 54 2.986 -10.542 10.921 1.00 0.00 C ATOM 484 O ASP A 54 4.005 -11.186 10.649 1.00 0.00 O ATOM 485 CB ASP A 54 1.311 -12.244 10.105 1.00 0.00 C ATOM 486 CG ASP A 54 1.643 -11.740 8.710 1.00 0.00 C ATOM 487 OD1 ASP A 54 1.105 -10.688 8.298 1.00 0.00 O ATOM 488 OD2 ASP A 54 2.441 -12.406 8.019 1.00 0.00 O ATOM 0 H ASP A 54 0.115 -9.982 10.592 1.00 0.00 H new ATOM 0 HA ASP A 54 1.799 -11.817 12.150 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.842 -13.180 10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.245 -12.468 10.156 1.00 0.00 H new ATOM 493 N GLY A 55 2.974 -9.221 10.992 1.00 0.00 N ATOM 494 CA GLY A 55 4.179 -8.460 10.741 1.00 0.00 C ATOM 495 C GLY A 55 4.082 -7.642 9.473 1.00 0.00 C ATOM 496 O GLY A 55 3.000 -7.187 9.106 1.00 0.00 O ATOM 0 H GLY A 55 2.152 -8.662 11.219 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.371 -7.798 11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.028 -9.140 10.669 1.00 0.00 H new ATOM 500 N TRP A 56 5.208 -7.463 8.800 1.00 0.00 N ATOM 501 CA TRP A 56 5.252 -6.674 7.578 1.00 0.00 C ATOM 502 C TRP A 56 4.781 -7.500 6.390 1.00 0.00 C ATOM 503 O TRP A 56 5.225 -8.635 6.193 1.00 0.00 O ATOM 504 CB TRP A 56 6.669 -6.150 7.323 1.00 0.00 C ATOM 505 CG TRP A 56 7.152 -5.197 8.374 1.00 0.00 C ATOM 506 CD1 TRP A 56 8.016 -5.470 9.396 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.797 -3.816 8.509 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.217 -4.346 10.158 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.481 -3.316 9.632 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.967 -2.952 7.788 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.360 -1.993 10.050 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.849 -1.641 8.204 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.542 -1.172 9.323 1.00 0.00 C ATOM 0 H TRP A 56 6.107 -7.855 9.081 1.00 0.00 H new ATOM 0 HA TRP A 56 4.582 -5.823 7.701 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.356 -6.995 7.267 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.695 -5.653 6.353 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.474 -6.431 9.578 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.816 -4.287 10.981 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.428 -3.304 6.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.892 -1.629 10.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.210 -0.966 7.655 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.430 -0.140 9.620 1.00 0.00 H new ATOM 524 N HIS A 57 3.873 -6.929 5.615 1.00 0.00 N ATOM 525 CA HIS A 57 3.344 -7.588 4.430 1.00 0.00 C ATOM 526 C HIS A 57 3.124 -6.565 3.320 1.00 0.00 C ATOM 527 O HIS A 57 2.755 -5.423 3.586 1.00 0.00 O ATOM 528 CB HIS A 57 2.026 -8.298 4.756 1.00 0.00 C ATOM 529 CG HIS A 57 2.072 -9.779 4.536 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.919 -10.706 5.547 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.241 -10.494 3.400 1.00 0.00 C ATOM 532 CE1 HIS A 57 1.996 -11.920 5.040 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.188 -11.820 3.741 1.00 0.00 N ATOM 0 H HIS A 57 3.484 -6.002 5.787 1.00 0.00 H new ATOM 0 HA HIS A 57 4.066 -8.332 4.093 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.765 -8.102 5.796 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.232 -7.872 4.142 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.770 -10.486 6.532 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.390 -10.094 2.408 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.915 -12.842 5.596 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.282 -12.603 3.094 1.00 0.00 H new ATOM 541 N MET A 58 3.364 -6.976 2.082 1.00 0.00 N ATOM 542 CA MET A 58 3.208 -6.086 0.933 1.00 0.00 C ATOM 543 C MET A 58 1.741 -5.978 0.541 1.00 0.00 C ATOM 544 O MET A 58 0.987 -6.937 0.684 1.00 0.00 O ATOM 545 CB MET A 58 4.011 -6.607 -0.259 1.00 0.00 C ATOM 546 CG MET A 58 5.496 -6.773 0.017 1.00 0.00 C ATOM 547 SD MET A 58 6.379 -7.457 -1.398 1.00 0.00 S ATOM 548 CE MET A 58 5.910 -6.285 -2.668 1.00 0.00 C ATOM 0 H MET A 58 3.668 -7.920 1.845 1.00 0.00 H new ATOM 0 HA MET A 58 3.580 -5.101 1.215 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.600 -7.568 -0.568 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.883 -5.922 -1.097 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.926 -5.806 0.278 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.633 -7.426 0.879 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.371 -6.804 -3.461 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.268 -5.517 -2.236 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.805 -5.819 -3.082 1.00 0.00 H new ATOM 558 N VAL A 59 1.337 -4.821 0.044 1.00 0.00 N ATOM 559 CA VAL A 59 -0.046 -4.619 -0.369 1.00 0.00 C ATOM 560 C VAL A 59 -0.191 -4.775 -1.883 1.00 0.00 C ATOM 561 O VAL A 59 0.607 -4.237 -2.656 1.00 0.00 O ATOM 562 CB VAL A 59 -0.564 -3.226 0.056 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.023 -3.042 -0.333 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.384 -3.020 1.552 1.00 0.00 C ATOM 0 H VAL A 59 1.942 -4.010 -0.084 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.645 -5.381 0.129 1.00 0.00 H new ATOM 0 HB VAL A 59 0.025 -2.475 -0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.361 -2.053 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.126 -3.137 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.629 -3.804 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.755 -2.034 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.942 -3.784 2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.674 -3.095 1.805 1.00 0.00 H new ATOM 574 N CYS A 60 -1.204 -5.525 -2.296 1.00 0.00 N ATOM 575 CA CYS A 60 -1.496 -5.713 -3.709 1.00 0.00 C ATOM 576 C CYS A 60 -2.503 -4.660 -4.163 1.00 0.00 C ATOM 577 O CYS A 60 -3.499 -4.409 -3.481 1.00 0.00 O ATOM 578 CB CYS A 60 -2.054 -7.121 -3.946 1.00 0.00 C ATOM 579 SG CYS A 60 -2.110 -7.622 -5.700 1.00 0.00 S ATOM 0 H CYS A 60 -1.840 -6.015 -1.667 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.579 -5.602 -4.287 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.445 -7.838 -3.395 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.061 -7.174 -3.533 1.00 0.00 H new ATOM 584 N SER A 61 -2.226 -4.043 -5.312 1.00 0.00 N ATOM 585 CA SER A 61 -3.048 -2.956 -5.845 1.00 0.00 C ATOM 586 C SER A 61 -4.497 -3.388 -6.084 1.00 0.00 C ATOM 587 O SER A 61 -5.394 -2.550 -6.143 1.00 0.00 O ATOM 588 CB SER A 61 -2.440 -2.445 -7.150 1.00 0.00 C ATOM 589 OG SER A 61 -1.041 -2.264 -7.023 1.00 0.00 O ATOM 0 H SER A 61 -1.427 -4.282 -5.899 1.00 0.00 H new ATOM 0 HA SER A 61 -3.063 -2.160 -5.100 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.647 -3.152 -7.953 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.908 -1.501 -7.428 1.00 0.00 H new ATOM 0 HG SER A 61 -0.675 -1.938 -7.872 1.00 0.00 H new ATOM 595 N GLN A 62 -4.724 -4.688 -6.223 1.00 0.00 N ATOM 596 CA GLN A 62 -6.072 -5.200 -6.411 1.00 0.00 C ATOM 597 C GLN A 62 -6.722 -5.457 -5.055 1.00 0.00 C ATOM 598 O GLN A 62 -6.936 -6.599 -4.651 1.00 0.00 O ATOM 599 CB GLN A 62 -6.065 -6.471 -7.274 1.00 0.00 C ATOM 600 CG GLN A 62 -7.453 -7.061 -7.521 1.00 0.00 C ATOM 601 CD GLN A 62 -8.452 -6.053 -8.072 1.00 0.00 C ATOM 602 OE1 GLN A 62 -7.975 -5.094 -8.851 1.00 0.00 O flip ATOM 603 NE2 GLN A 62 -9.652 -6.146 -7.808 1.00 0.00 N flip ATOM 0 H GLN A 62 -3.996 -5.402 -6.209 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.660 -4.451 -6.942 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.602 -6.244 -8.234 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.442 -7.223 -6.790 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.366 -7.893 -8.219 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.838 -7.468 -6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.985 -6.898 -7.204 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.313 -5.471 -8.193 1.00 0.00 H new ATOM 612 N SER A 63 -6.999 -4.379 -4.344 1.00 0.00 N ATOM 613 CA SER A 63 -7.670 -4.453 -3.063 1.00 0.00 C ATOM 614 C SER A 63 -8.882 -3.529 -3.055 1.00 0.00 C ATOM 615 O SER A 63 -8.967 -2.608 -3.871 1.00 0.00 O ATOM 616 CB SER A 63 -6.702 -4.065 -1.937 1.00 0.00 C ATOM 617 OG SER A 63 -5.657 -5.015 -1.811 1.00 0.00 O ATOM 0 H SER A 63 -6.765 -3.431 -4.639 1.00 0.00 H new ATOM 0 HA SER A 63 -8.006 -5.477 -2.899 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.280 -3.081 -2.139 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.246 -3.991 -0.995 1.00 0.00 H new ATOM 0 HG SER A 63 -4.927 -4.781 -2.422 1.00 0.00 H new ATOM 623 N TRP A 64 -9.822 -3.801 -2.152 1.00 0.00 N ATOM 624 CA TRP A 64 -11.006 -2.956 -1.953 1.00 0.00 C ATOM 625 C TRP A 64 -11.875 -2.866 -3.213 1.00 0.00 C ATOM 626 O TRP A 64 -12.699 -1.957 -3.351 1.00 0.00 O ATOM 627 CB TRP A 64 -10.588 -1.555 -1.486 1.00 0.00 C ATOM 628 CG TRP A 64 -9.711 -1.581 -0.268 1.00 0.00 C ATOM 629 CD1 TRP A 64 -10.052 -2.019 0.980 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.343 -1.158 -0.180 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.986 -1.888 1.835 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.924 -1.366 1.147 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.430 -0.625 -1.096 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.637 -1.056 1.581 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.153 -0.319 -0.663 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.768 -0.537 0.661 1.00 0.00 C ATOM 0 H TRP A 64 -9.788 -4.613 -1.536 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.613 -3.425 -1.179 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -10.061 -1.050 -2.296 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.481 -0.968 -1.272 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.020 -2.412 1.254 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.985 -2.139 2.824 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.717 -0.456 -2.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.337 -1.219 2.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.441 0.096 -1.361 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.762 -0.290 0.966 1.00 0.00 H new ATOM 647 N GLY A 65 -11.682 -3.812 -4.124 1.00 0.00 N ATOM 648 CA GLY A 65 -12.512 -3.895 -5.311 1.00 0.00 C ATOM 649 C GLY A 65 -12.358 -2.704 -6.240 1.00 0.00 C ATOM 650 O GLY A 65 -13.342 -2.221 -6.804 1.00 0.00 O ATOM 0 H GLY A 65 -10.959 -4.529 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.263 -4.806 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.556 -3.979 -5.010 1.00 0.00 H new ATOM 654 N ARG A 66 -11.135 -2.223 -6.403 1.00 0.00 N ATOM 655 CA ARG A 66 -10.872 -1.123 -7.316 1.00 0.00 C ATOM 656 C ARG A 66 -10.117 -1.621 -8.540 1.00 0.00 C ATOM 657 O ARG A 66 -9.374 -2.600 -8.466 1.00 0.00 O ATOM 658 CB ARG A 66 -10.077 -0.014 -6.620 1.00 0.00 C ATOM 659 CG ARG A 66 -10.846 0.710 -5.523 1.00 0.00 C ATOM 660 CD ARG A 66 -12.122 1.351 -6.059 1.00 0.00 C ATOM 661 NE ARG A 66 -12.725 2.277 -5.101 1.00 0.00 N ATOM 662 CZ ARG A 66 -13.798 1.991 -4.366 1.00 0.00 C ATOM 663 NH1 ARG A 66 -14.347 0.787 -4.428 1.00 0.00 N ATOM 664 NH2 ARG A 66 -14.327 2.907 -3.570 1.00 0.00 N ATOM 0 H ARG A 66 -10.311 -2.576 -5.916 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.829 -0.710 -7.635 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.173 -0.445 -6.191 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.760 0.714 -7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.098 0.006 -4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.212 1.477 -5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.897 1.884 -6.983 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.841 0.570 -6.308 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.298 3.197 -4.989 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.948 0.075 -5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.169 0.572 -3.864 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.913 3.838 -3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.149 2.682 -3.009 1.00 0.00 H new ATOM 677 N SER A 67 -10.340 -0.949 -9.665 1.00 0.00 N ATOM 678 CA SER A 67 -9.695 -1.295 -10.923 1.00 0.00 C ATOM 679 C SER A 67 -8.174 -1.296 -10.773 1.00 0.00 C ATOM 680 O SER A 67 -7.591 -0.354 -10.231 1.00 0.00 O ATOM 681 CB SER A 67 -10.134 -0.309 -12.005 1.00 0.00 C ATOM 682 OG SER A 67 -11.548 -0.205 -12.036 1.00 0.00 O ATOM 0 H SER A 67 -10.972 -0.151 -9.728 1.00 0.00 H new ATOM 0 HA SER A 67 -9.997 -2.301 -11.213 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.695 0.670 -11.813 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.766 -0.638 -12.977 1.00 0.00 H new ATOM 0 HG SER A 67 -11.814 0.431 -12.732 1.00 0.00 H new ATOM 688 N SER A 68 -7.545 -2.357 -11.263 1.00 0.00 N ATOM 689 CA SER A 68 -6.118 -2.580 -11.063 1.00 0.00 C ATOM 690 C SER A 68 -5.259 -1.709 -11.988 1.00 0.00 C ATOM 691 O SER A 68 -4.373 -2.202 -12.693 1.00 0.00 O ATOM 692 CB SER A 68 -5.798 -4.062 -11.268 1.00 0.00 C ATOM 693 OG SER A 68 -4.437 -4.335 -10.988 1.00 0.00 O ATOM 0 H SER A 68 -8.007 -3.085 -11.808 1.00 0.00 H new ATOM 0 HA SER A 68 -5.873 -2.290 -10.041 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.434 -4.667 -10.621 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.025 -4.347 -12.295 1.00 0.00 H new ATOM 0 HG SER A 68 -3.868 -3.742 -11.521 1.00 0.00 H new ATOM 699 N LYS A 69 -5.529 -0.418 -11.980 1.00 0.00 N ATOM 700 CA LYS A 69 -4.678 0.552 -12.644 1.00 0.00 C ATOM 701 C LYS A 69 -4.257 1.605 -11.634 1.00 0.00 C ATOM 702 O LYS A 69 -3.284 1.419 -10.910 1.00 0.00 O ATOM 703 CB LYS A 69 -5.385 1.208 -13.839 1.00 0.00 C ATOM 704 CG LYS A 69 -5.487 0.323 -15.069 1.00 0.00 C ATOM 705 CD LYS A 69 -6.286 0.999 -16.175 1.00 0.00 C ATOM 706 CE LYS A 69 -5.692 2.344 -16.572 1.00 0.00 C ATOM 707 NZ LYS A 69 -4.340 2.206 -17.184 1.00 0.00 N ATOM 0 H LYS A 69 -6.341 -0.012 -11.515 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.801 0.037 -13.036 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.389 1.504 -13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.851 2.120 -14.106 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.487 0.087 -15.433 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.960 -0.622 -14.801 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.320 0.347 -17.048 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.315 1.141 -15.843 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.359 2.839 -17.278 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.627 2.984 -15.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.998 3.141 -17.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.682 1.804 -16.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.395 1.576 -18.010 1.00 0.00 H new ATOM 720 N GLN A 70 -5.025 2.680 -11.562 1.00 0.00 N ATOM 721 CA GLN A 70 -4.814 3.734 -10.586 1.00 0.00 C ATOM 722 C GLN A 70 -6.131 4.444 -10.330 1.00 0.00 C ATOM 723 O GLN A 70 -6.743 4.957 -11.266 1.00 0.00 O ATOM 724 CB GLN A 70 -3.794 4.771 -11.082 1.00 0.00 C ATOM 725 CG GLN A 70 -2.368 4.260 -11.188 1.00 0.00 C ATOM 726 CD GLN A 70 -1.395 5.347 -11.587 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.141 5.570 -12.770 1.00 0.00 O ATOM 728 NE2 GLN A 70 -0.844 6.032 -10.601 1.00 0.00 N ATOM 0 H GLN A 70 -5.817 2.846 -12.183 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.429 3.275 -9.675 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.110 5.131 -12.061 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.809 5.627 -10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.064 3.838 -10.230 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.327 3.453 -11.920 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.082 5.815 -9.633 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.180 6.778 -10.807 1.00 0.00 H new ATOM 737 N TRP A 71 -6.593 4.460 -9.091 1.00 0.00 N ATOM 738 CA TRP A 71 -7.724 5.302 -8.767 1.00 0.00 C ATOM 739 C TRP A 71 -7.227 6.733 -8.661 1.00 0.00 C ATOM 740 O TRP A 71 -6.244 7.011 -7.975 1.00 0.00 O ATOM 741 CB TRP A 71 -8.456 4.845 -7.492 1.00 0.00 C ATOM 742 CG TRP A 71 -7.597 4.691 -6.273 1.00 0.00 C ATOM 743 CD1 TRP A 71 -7.243 5.666 -5.386 1.00 0.00 C ATOM 744 CD2 TRP A 71 -7.009 3.477 -5.792 1.00 0.00 C ATOM 745 NE1 TRP A 71 -6.469 5.134 -4.384 1.00 0.00 N ATOM 746 CE2 TRP A 71 -6.310 3.791 -4.613 1.00 0.00 C ATOM 747 CE3 TRP A 71 -7.005 2.155 -6.246 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -5.616 2.831 -3.882 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -6.313 1.204 -5.517 1.00 0.00 C ATOM 750 CH2 TRP A 71 -5.630 1.548 -4.348 1.00 0.00 C ATOM 0 H TRP A 71 -6.214 3.916 -8.316 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.469 5.227 -9.559 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -9.245 5.563 -7.270 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.942 3.891 -7.695 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.530 6.705 -5.461 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.077 5.653 -3.598 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.532 1.881 -7.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.085 3.092 -2.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.301 0.179 -5.857 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -5.101 0.782 -3.801 1.00 0.00 H new ATOM 761 N GLU A 72 -7.889 7.634 -9.365 1.00 0.00 N ATOM 762 CA GLU A 72 -7.394 8.991 -9.529 1.00 0.00 C ATOM 763 C GLU A 72 -7.766 9.848 -8.328 1.00 0.00 C ATOM 764 O GLU A 72 -8.232 10.979 -8.458 1.00 0.00 O ATOM 765 CB GLU A 72 -7.939 9.567 -10.834 1.00 0.00 C ATOM 766 CG GLU A 72 -7.498 8.757 -12.043 1.00 0.00 C ATOM 767 CD GLU A 72 -8.351 8.996 -13.265 1.00 0.00 C ATOM 768 OE1 GLU A 72 -9.563 8.695 -13.216 1.00 0.00 O ATOM 769 OE2 GLU A 72 -7.814 9.475 -14.287 1.00 0.00 O ATOM 0 H GLU A 72 -8.775 7.450 -9.835 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.305 8.983 -9.584 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.028 9.592 -10.792 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.600 10.597 -10.945 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.462 9.002 -12.278 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.525 7.697 -11.791 1.00 0.00 H new ATOM 776 N ASP A 73 -7.535 9.281 -7.156 1.00 0.00 N ATOM 777 CA ASP A 73 -7.815 9.935 -5.890 1.00 0.00 C ATOM 778 C ASP A 73 -6.788 9.458 -4.858 1.00 0.00 C ATOM 779 O ASP A 73 -7.130 8.806 -3.871 1.00 0.00 O ATOM 780 CB ASP A 73 -9.242 9.595 -5.444 1.00 0.00 C ATOM 781 CG ASP A 73 -9.746 10.492 -4.336 1.00 0.00 C ATOM 782 OD1 ASP A 73 -9.526 11.721 -4.415 1.00 0.00 O ATOM 783 OD2 ASP A 73 -10.408 9.984 -3.406 1.00 0.00 O ATOM 0 H ASP A 73 -7.144 8.344 -7.056 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.741 11.018 -5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.912 9.673 -6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.274 8.559 -5.108 1.00 0.00 H new ATOM 788 N PRO A 74 -5.499 9.779 -5.086 1.00 0.00 N ATOM 789 CA PRO A 74 -4.389 9.196 -4.334 1.00 0.00 C ATOM 790 C PRO A 74 -4.092 9.913 -3.020 1.00 0.00 C ATOM 791 O PRO A 74 -3.323 9.417 -2.197 1.00 0.00 O ATOM 792 CB PRO A 74 -3.221 9.356 -5.302 1.00 0.00 C ATOM 793 CG PRO A 74 -3.516 10.609 -6.051 1.00 0.00 C ATOM 794 CD PRO A 74 -5.020 10.745 -6.097 1.00 0.00 C ATOM 0 HA PRO A 74 -4.601 8.171 -4.031 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.273 9.428 -4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.145 8.502 -5.975 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.065 11.470 -5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.101 10.565 -7.058 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.336 11.761 -5.859 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.411 10.513 -7.087 1.00 0.00 H new ATOM 802 N SER A 75 -4.715 11.067 -2.816 1.00 0.00 N ATOM 803 CA SER A 75 -4.441 11.881 -1.639 1.00 0.00 C ATOM 804 C SER A 75 -5.027 11.243 -0.379 1.00 0.00 C ATOM 805 O SER A 75 -4.788 11.712 0.730 1.00 0.00 O ATOM 806 CB SER A 75 -5.001 13.290 -1.829 1.00 0.00 C ATOM 807 OG SER A 75 -4.763 13.761 -3.151 1.00 0.00 O ATOM 0 H SER A 75 -5.412 11.460 -3.449 1.00 0.00 H new ATOM 0 HA SER A 75 -3.360 11.943 -1.514 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.072 13.289 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.541 13.968 -1.110 1.00 0.00 H new ATOM 0 HG SER A 75 -5.132 14.664 -3.248 1.00 0.00 H new ATOM 813 N GLN A 76 -5.782 10.161 -0.558 1.00 0.00 N ATOM 814 CA GLN A 76 -6.358 9.424 0.564 1.00 0.00 C ATOM 815 C GLN A 76 -5.254 8.802 1.417 1.00 0.00 C ATOM 816 O GLN A 76 -5.443 8.535 2.601 1.00 0.00 O ATOM 817 CB GLN A 76 -7.297 8.328 0.047 1.00 0.00 C ATOM 818 CG GLN A 76 -8.465 8.858 -0.772 1.00 0.00 C ATOM 819 CD GLN A 76 -9.409 9.732 0.034 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.229 10.949 0.119 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.422 9.119 0.628 1.00 0.00 N ATOM 0 H GLN A 76 -6.010 9.774 -1.474 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.927 10.120 1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.724 7.630 -0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.686 7.765 0.896 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.079 9.431 -1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.022 8.017 -1.186 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.534 8.110 0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.090 9.656 1.181 1.00 0.00 H new ATOM 830 N ALA A 77 -4.088 8.597 0.809 1.00 0.00 N ATOM 831 CA ALA A 77 -2.961 7.983 1.499 1.00 0.00 C ATOM 832 C ALA A 77 -2.044 9.043 2.103 1.00 0.00 C ATOM 833 O ALA A 77 -0.851 8.805 2.313 1.00 0.00 O ATOM 834 CB ALA A 77 -2.179 7.092 0.543 1.00 0.00 C ATOM 0 H ALA A 77 -3.901 8.848 -0.162 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.354 7.372 2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.340 6.640 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.832 6.308 0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.805 7.690 -0.288 1.00 0.00 H new ATOM 840 N SER A 78 -2.612 10.207 2.388 1.00 0.00 N ATOM 841 CA SER A 78 -1.851 11.335 2.905 1.00 0.00 C ATOM 842 C SER A 78 -1.132 10.988 4.205 1.00 0.00 C ATOM 843 O SER A 78 0.045 11.314 4.373 1.00 0.00 O ATOM 844 CB SER A 78 -2.776 12.537 3.109 1.00 0.00 C ATOM 845 OG SER A 78 -3.980 12.158 3.761 1.00 0.00 O ATOM 0 H SER A 78 -3.607 10.395 2.268 1.00 0.00 H new ATOM 0 HA SER A 78 -1.086 11.588 2.170 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.264 13.296 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.009 12.987 2.144 1.00 0.00 H new ATOM 0 HG SER A 78 -4.645 11.893 3.092 1.00 0.00 H new ATOM 851 N LYS A 79 -1.825 10.304 5.110 1.00 0.00 N ATOM 852 CA LYS A 79 -1.255 9.980 6.409 1.00 0.00 C ATOM 853 C LYS A 79 -0.105 8.978 6.295 1.00 0.00 C ATOM 854 O LYS A 79 0.693 8.846 7.220 1.00 0.00 O ATOM 855 CB LYS A 79 -2.328 9.458 7.369 1.00 0.00 C ATOM 856 CG LYS A 79 -3.381 10.495 7.727 1.00 0.00 C ATOM 857 CD LYS A 79 -4.296 10.007 8.845 1.00 0.00 C ATOM 858 CE LYS A 79 -3.536 9.810 10.151 1.00 0.00 C ATOM 859 NZ LYS A 79 -2.952 11.079 10.668 1.00 0.00 N ATOM 0 H LYS A 79 -2.777 9.966 4.967 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.848 10.905 6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.818 8.595 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.847 9.110 8.283 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.892 11.419 8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.977 10.728 6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.100 10.727 8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.762 9.067 8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.209 9.392 10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.739 9.083 9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.750 10.980 11.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.070 11.288 10.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.628 11.856 10.524 1.00 0.00 H new ATOM 872 N VAL A 80 -0.002 8.287 5.161 1.00 0.00 N ATOM 873 CA VAL A 80 1.120 7.381 4.939 1.00 0.00 C ATOM 874 C VAL A 80 2.389 8.187 4.710 1.00 0.00 C ATOM 875 O VAL A 80 3.391 7.999 5.398 1.00 0.00 O ATOM 876 CB VAL A 80 0.891 6.432 3.739 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.120 5.556 3.505 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.343 5.573 3.964 1.00 0.00 C ATOM 0 H VAL A 80 -0.672 8.336 4.393 1.00 0.00 H new ATOM 0 HA VAL A 80 1.215 6.762 5.831 1.00 0.00 H new ATOM 0 HB VAL A 80 0.728 7.039 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.940 4.895 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.983 6.188 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.316 4.958 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.487 4.912 3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.211 4.976 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.217 6.214 4.078 1.00 0.00 H new ATOM 888 N CYS A 81 2.326 9.107 3.758 1.00 0.00 N ATOM 889 CA CYS A 81 3.451 9.983 3.465 1.00 0.00 C ATOM 890 C CYS A 81 3.773 10.848 4.678 1.00 0.00 C ATOM 891 O CYS A 81 4.937 11.098 4.986 1.00 0.00 O ATOM 892 CB CYS A 81 3.125 10.859 2.259 1.00 0.00 C ATOM 893 SG CYS A 81 2.603 9.909 0.800 1.00 0.00 S ATOM 0 H CYS A 81 1.505 9.266 3.174 1.00 0.00 H new ATOM 0 HA CYS A 81 4.325 9.375 3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.334 11.559 2.530 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.002 11.453 2.002 1.00 0.00 H new ATOM 898 N GLN A 82 2.728 11.286 5.365 1.00 0.00 N ATOM 899 CA GLN A 82 2.864 12.043 6.601 1.00 0.00 C ATOM 900 C GLN A 82 3.656 11.249 7.635 1.00 0.00 C ATOM 901 O GLN A 82 4.566 11.775 8.278 1.00 0.00 O ATOM 902 CB GLN A 82 1.472 12.364 7.144 1.00 0.00 C ATOM 903 CG GLN A 82 1.459 13.101 8.469 1.00 0.00 C ATOM 904 CD GLN A 82 0.051 13.262 9.003 1.00 0.00 C ATOM 905 OE1 GLN A 82 -0.446 12.419 9.754 1.00 0.00 O ATOM 906 NE2 GLN A 82 -0.610 14.334 8.602 1.00 0.00 N ATOM 0 H GLN A 82 1.761 11.127 5.081 1.00 0.00 H new ATOM 0 HA GLN A 82 3.404 12.967 6.396 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.939 12.964 6.406 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.918 11.432 7.258 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.064 12.557 9.195 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.916 14.083 8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.161 15.007 7.980 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.569 14.488 8.914 1.00 0.00 H new ATOM 915 N ARG A 83 3.309 9.974 7.769 1.00 0.00 N ATOM 916 CA ARG A 83 3.952 9.088 8.731 1.00 0.00 C ATOM 917 C ARG A 83 5.419 8.862 8.361 1.00 0.00 C ATOM 918 O ARG A 83 6.266 8.690 9.233 1.00 0.00 O ATOM 919 CB ARG A 83 3.207 7.748 8.780 1.00 0.00 C ATOM 920 CG ARG A 83 2.975 7.202 10.181 1.00 0.00 C ATOM 921 CD ARG A 83 4.270 6.812 10.872 1.00 0.00 C ATOM 922 NE ARG A 83 4.019 6.200 12.172 1.00 0.00 N ATOM 923 CZ ARG A 83 4.946 5.586 12.897 1.00 0.00 C ATOM 924 NH1 ARG A 83 6.205 5.545 12.480 1.00 0.00 N ATOM 925 NH2 ARG A 83 4.615 5.021 14.046 1.00 0.00 N ATOM 0 H ARG A 83 2.577 9.527 7.216 1.00 0.00 H new ATOM 0 HA ARG A 83 3.916 9.555 9.715 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.243 7.865 8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.771 7.013 8.207 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.459 7.952 10.780 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.320 6.333 10.125 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.824 6.116 10.242 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.896 7.695 10.999 1.00 0.00 H new ATOM 0 HE ARG A 83 3.072 6.247 12.548 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.465 5.987 11.598 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.913 5.072 13.041 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.650 5.058 14.373 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.325 4.548 14.605 1.00 0.00 H new ATOM 938 N LEU A 84 5.711 8.870 7.065 1.00 0.00 N ATOM 939 CA LEU A 84 7.079 8.666 6.589 1.00 0.00 C ATOM 940 C LEU A 84 7.833 9.985 6.467 1.00 0.00 C ATOM 941 O LEU A 84 8.942 10.028 5.929 1.00 0.00 O ATOM 942 CB LEU A 84 7.095 7.934 5.246 1.00 0.00 C ATOM 943 CG LEU A 84 7.075 6.404 5.329 1.00 0.00 C ATOM 944 CD1 LEU A 84 5.734 5.894 5.832 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.400 5.803 3.972 1.00 0.00 C ATOM 0 H LEU A 84 5.023 9.015 6.326 1.00 0.00 H new ATOM 0 HA LEU A 84 7.584 8.048 7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.233 8.260 4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.985 8.239 4.696 1.00 0.00 H new ATOM 0 HG LEU A 84 7.836 6.093 6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.753 4.805 5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.541 6.297 6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.945 6.214 5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.383 4.715 4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.660 6.131 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.391 6.131 3.657 1.00 0.00 H new ATOM 957 N ASN A 85 7.215 11.051 6.969 1.00 0.00 N ATOM 958 CA ASN A 85 7.831 12.376 7.006 1.00 0.00 C ATOM 959 C ASN A 85 8.095 12.900 5.590 1.00 0.00 C ATOM 960 O ASN A 85 9.193 13.353 5.264 1.00 0.00 O ATOM 961 CB ASN A 85 9.121 12.335 7.840 1.00 0.00 C ATOM 962 CG ASN A 85 9.705 13.710 8.113 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.999 14.717 8.107 1.00 0.00 O ATOM 964 ND2 ASN A 85 11.002 13.758 8.373 1.00 0.00 N ATOM 0 H ASN A 85 6.274 11.022 7.361 1.00 0.00 H new ATOM 0 HA ASN A 85 7.139 13.070 7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.916 11.840 8.789 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.863 11.730 7.319 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.448 14.652 8.578 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.555 12.901 8.369 1.00 0.00 H new ATOM 971 N CYS A 86 7.074 12.824 4.749 1.00 0.00 N ATOM 972 CA CYS A 86 7.144 13.361 3.396 1.00 0.00 C ATOM 973 C CYS A 86 5.906 14.191 3.088 1.00 0.00 C ATOM 974 O CYS A 86 4.970 14.237 3.890 1.00 0.00 O ATOM 975 CB CYS A 86 7.300 12.237 2.368 1.00 0.00 C ATOM 976 SG CYS A 86 8.974 11.516 2.309 1.00 0.00 S ATOM 0 H CYS A 86 6.180 12.392 4.982 1.00 0.00 H new ATOM 0 HA CYS A 86 8.021 14.005 3.333 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.583 11.448 2.595 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.046 12.623 1.381 1.00 0.00 H new ATOM 981 N GLY A 87 5.903 14.845 1.932 1.00 0.00 N ATOM 982 CA GLY A 87 4.780 15.678 1.555 1.00 0.00 C ATOM 983 C GLY A 87 3.594 14.873 1.055 1.00 0.00 C ATOM 984 O GLY A 87 3.563 13.649 1.183 1.00 0.00 O ATOM 0 H GLY A 87 6.660 14.812 1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.472 16.276 2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.095 16.375 0.778 1.00 0.00 H new ATOM 988 N ASP A 88 2.631 15.564 0.461 1.00 0.00 N ATOM 989 CA ASP A 88 1.377 14.944 0.030 1.00 0.00 C ATOM 990 C ASP A 88 1.600 13.955 -1.115 1.00 0.00 C ATOM 991 O ASP A 88 2.585 14.048 -1.851 1.00 0.00 O ATOM 992 CB ASP A 88 0.370 16.022 -0.388 1.00 0.00 C ATOM 993 CG ASP A 88 -0.144 16.823 0.793 1.00 0.00 C ATOM 994 OD1 ASP A 88 -1.101 16.368 1.455 1.00 0.00 O ATOM 995 OD2 ASP A 88 0.413 17.907 1.070 1.00 0.00 O ATOM 0 H ASP A 88 2.692 16.563 0.264 1.00 0.00 H new ATOM 0 HA ASP A 88 0.975 14.386 0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.840 16.696 -1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.471 15.552 -0.898 1.00 0.00 H new ATOM 1000 N PRO A 89 0.685 12.980 -1.261 1.00 0.00 N ATOM 1001 CA PRO A 89 0.774 11.942 -2.292 1.00 0.00 C ATOM 1002 C PRO A 89 0.649 12.503 -3.705 1.00 0.00 C ATOM 1003 O PRO A 89 -0.356 13.129 -4.053 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.413 11.017 -1.998 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.878 11.374 -0.630 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.510 12.811 -0.425 1.00 0.00 C ATOM 0 HA PRO A 89 1.742 11.443 -2.259 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.208 11.157 -2.730 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.114 9.970 -2.048 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.954 11.231 -0.535 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.405 10.740 0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.314 13.479 -0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.301 13.026 0.623 1.00 0.00 H new ATOM 1014 N LEU A 90 1.671 12.265 -4.513 1.00 0.00 N ATOM 1015 CA LEU A 90 1.672 12.696 -5.902 1.00 0.00 C ATOM 1016 C LEU A 90 0.933 11.685 -6.766 1.00 0.00 C ATOM 1017 O LEU A 90 0.030 12.037 -7.528 1.00 0.00 O ATOM 1018 CB LEU A 90 3.109 12.861 -6.413 1.00 0.00 C ATOM 1019 CG LEU A 90 3.924 13.990 -5.773 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.345 13.986 -6.315 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.266 15.342 -6.015 1.00 0.00 C ATOM 0 H LEU A 90 2.517 11.772 -4.227 1.00 0.00 H new ATOM 0 HA LEU A 90 1.164 13.658 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.640 11.922 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.074 13.030 -7.489 1.00 0.00 H new ATOM 0 HG LEU A 90 3.958 13.819 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.913 14.793 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.819 13.031 -6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.323 14.131 -7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.864 16.126 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.196 15.526 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.266 15.343 -5.581 1.00 0.00 H new ATOM 1033 N SER A 91 1.313 10.424 -6.634 1.00 0.00 N ATOM 1034 CA SER A 91 0.716 9.364 -7.425 1.00 0.00 C ATOM 1035 C SER A 91 0.623 8.076 -6.617 1.00 0.00 C ATOM 1036 O SER A 91 1.446 7.820 -5.733 1.00 0.00 O ATOM 1037 CB SER A 91 1.530 9.146 -8.705 1.00 0.00 C ATOM 1038 OG SER A 91 2.908 8.981 -8.415 1.00 0.00 O ATOM 0 H SER A 91 2.034 10.111 -5.984 1.00 0.00 H new ATOM 0 HA SER A 91 -0.296 9.659 -7.701 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.158 8.266 -9.230 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.396 9.996 -9.374 1.00 0.00 H new ATOM 0 HG SER A 91 3.403 8.842 -9.249 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.394 7.282 -6.914 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.616 6.015 -6.235 1.00 0.00 C ATOM 1046 C LEU A 92 -1.114 4.987 -7.242 1.00 0.00 C ATOM 1047 O LEU A 92 -1.960 5.299 -8.080 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.636 6.194 -5.103 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.027 4.921 -4.338 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -0.832 4.317 -3.616 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.141 5.221 -3.346 1.00 0.00 C ATOM 0 H LEU A 92 -1.087 7.497 -7.631 1.00 0.00 H new ATOM 0 HA LEU A 92 0.320 5.666 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.234 6.913 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.541 6.633 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.384 4.192 -5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.144 3.418 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.060 4.060 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.434 5.040 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.407 4.309 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.801 5.973 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.013 5.596 -3.881 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.572 3.784 -7.180 1.00 0.00 N ATOM 1064 CA GLY A 93 -0.967 2.745 -8.110 1.00 0.00 C ATOM 1065 C GLY A 93 -0.020 1.564 -8.075 1.00 0.00 C ATOM 1066 O GLY A 93 0.403 1.156 -7.002 1.00 0.00 O ATOM 0 H GLY A 93 0.137 3.505 -6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.976 2.408 -7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.999 3.155 -9.120 1.00 0.00 H new ATOM 1070 N PRO A 94 0.320 0.982 -9.232 1.00 0.00 N ATOM 1071 CA PRO A 94 1.261 -0.122 -9.315 1.00 0.00 C ATOM 1072 C PRO A 94 2.692 0.346 -9.593 1.00 0.00 C ATOM 1073 O PRO A 94 2.942 1.083 -10.554 1.00 0.00 O ATOM 1074 CB PRO A 94 0.717 -0.927 -10.495 1.00 0.00 C ATOM 1075 CG PRO A 94 0.002 0.064 -11.365 1.00 0.00 C ATOM 1076 CD PRO A 94 -0.205 1.328 -10.556 1.00 0.00 C ATOM 0 HA PRO A 94 1.333 -0.682 -8.383 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.524 -1.417 -11.040 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.040 -1.711 -10.156 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.585 0.276 -12.261 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -0.955 -0.339 -11.695 1.00 0.00 H new ATOM 0 HD2 PRO A 94 0.329 2.173 -10.990 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -1.258 1.606 -10.509 1.00 0.00 H new ATOM 1084 N PHE A 95 3.629 -0.079 -8.752 1.00 0.00 N ATOM 1085 CA PHE A 95 5.026 0.305 -8.909 1.00 0.00 C ATOM 1086 C PHE A 95 5.944 -0.875 -8.619 1.00 0.00 C ATOM 1087 O PHE A 95 5.982 -1.369 -7.492 1.00 0.00 O ATOM 1088 CB PHE A 95 5.372 1.465 -7.973 1.00 0.00 C ATOM 1089 CG PHE A 95 6.726 2.064 -8.228 1.00 0.00 C ATOM 1090 CD1 PHE A 95 6.958 2.831 -9.359 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.766 1.861 -7.335 1.00 0.00 C ATOM 1092 CE1 PHE A 95 8.202 3.385 -9.594 1.00 0.00 C ATOM 1093 CE2 PHE A 95 9.012 2.413 -7.563 1.00 0.00 C ATOM 1094 CZ PHE A 95 9.230 3.174 -8.693 1.00 0.00 C ATOM 0 H PHE A 95 3.446 -0.689 -7.955 1.00 0.00 H new ATOM 0 HA PHE A 95 5.173 0.623 -9.941 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.615 2.242 -8.077 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.328 1.114 -6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 95 6.157 2.998 -10.065 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.601 1.264 -6.450 1.00 0.00 H new ATOM 0 HE1 PHE A 95 8.371 3.981 -10.479 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.814 2.249 -6.858 1.00 0.00 H new ATOM 0 HZ PHE A 95 10.204 3.605 -8.874 1.00 0.00 H new ATOM 1104 N LEU A 96 6.679 -1.308 -9.646 1.00 0.00 N ATOM 1105 CA LEU A 96 7.643 -2.406 -9.530 1.00 0.00 C ATOM 1106 C LEU A 96 6.968 -3.685 -9.042 1.00 0.00 C ATOM 1107 O LEU A 96 6.954 -3.986 -7.846 1.00 0.00 O ATOM 1108 CB LEU A 96 8.797 -2.018 -8.596 1.00 0.00 C ATOM 1109 CG LEU A 96 9.926 -3.052 -8.474 1.00 0.00 C ATOM 1110 CD1 LEU A 96 10.594 -3.293 -9.822 1.00 0.00 C ATOM 1111 CD2 LEU A 96 10.957 -2.603 -7.448 1.00 0.00 C ATOM 0 H LEU A 96 6.623 -0.907 -10.582 1.00 0.00 H new ATOM 0 HA LEU A 96 8.050 -2.598 -10.523 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.225 -1.079 -8.947 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.390 -1.832 -7.602 1.00 0.00 H new ATOM 0 HG LEU A 96 9.485 -3.990 -8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 96 11.390 -4.029 -9.707 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.856 -3.664 -10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 96 11.015 -2.358 -10.192 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.748 -3.349 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.385 -1.649 -7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 96 10.477 -2.489 -6.476 1.00 0.00 H new ATOM 1123 N LYS A 97 6.408 -4.431 -9.981 1.00 0.00 N ATOM 1124 CA LYS A 97 5.725 -5.678 -9.669 1.00 0.00 C ATOM 1125 C LYS A 97 6.702 -6.709 -9.121 1.00 0.00 C ATOM 1126 O LYS A 97 7.383 -7.398 -9.880 1.00 0.00 O ATOM 1127 CB LYS A 97 5.031 -6.243 -10.912 1.00 0.00 C ATOM 1128 CG LYS A 97 3.939 -5.352 -11.486 1.00 0.00 C ATOM 1129 CD LYS A 97 3.389 -5.929 -12.783 1.00 0.00 C ATOM 1130 CE LYS A 97 4.475 -6.039 -13.844 1.00 0.00 C ATOM 1131 NZ LYS A 97 3.983 -6.688 -15.090 1.00 0.00 N ATOM 0 H LYS A 97 6.413 -4.193 -10.973 1.00 0.00 H new ATOM 0 HA LYS A 97 4.974 -5.462 -8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.781 -6.419 -11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.598 -7.211 -10.662 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.133 -5.246 -10.760 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.337 -4.354 -11.668 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.962 -6.914 -12.593 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.581 -5.297 -13.151 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.852 -5.044 -14.080 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.313 -6.611 -13.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.757 -6.741 -15.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.647 -7.648 -14.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.201 -6.129 -15.487 1.00 0.00 H new ATOM 1144 N THR A 98 6.769 -6.802 -7.802 1.00 0.00 N ATOM 1145 CA THR A 98 7.594 -7.800 -7.140 1.00 0.00 C ATOM 1146 C THR A 98 7.050 -9.192 -7.442 1.00 0.00 C ATOM 1147 O THR A 98 7.800 -10.171 -7.472 1.00 0.00 O ATOM 1148 CB THR A 98 7.599 -7.562 -5.620 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.635 -6.152 -5.359 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.797 -8.234 -4.962 1.00 0.00 C ATOM 0 H THR A 98 6.257 -6.192 -7.164 1.00 0.00 H new ATOM 0 HA THR A 98 8.616 -7.720 -7.511 1.00 0.00 H new ATOM 0 HB THR A 98 6.692 -7.996 -5.200 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.291 -5.966 -4.655 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.774 -8.049 -3.888 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.758 -9.308 -5.146 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.718 -7.827 -5.381 1.00 0.00 H new ATOM 1158 N TYR A 99 5.742 -9.254 -7.683 1.00 0.00 N ATOM 1159 CA TYR A 99 5.079 -10.469 -8.147 1.00 0.00 C ATOM 1160 C TYR A 99 5.364 -11.647 -7.219 1.00 0.00 C ATOM 1161 O TYR A 99 6.119 -12.560 -7.564 1.00 0.00 O ATOM 1162 CB TYR A 99 5.531 -10.796 -9.571 1.00 0.00 C ATOM 1163 CG TYR A 99 4.434 -11.352 -10.450 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.982 -12.658 -10.301 1.00 0.00 C ATOM 1165 CD2 TYR A 99 3.847 -10.564 -11.430 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.979 -13.160 -11.106 1.00 0.00 C ATOM 1167 CE2 TYR A 99 2.845 -11.060 -12.237 1.00 0.00 C ATOM 1168 CZ TYR A 99 2.415 -12.357 -12.072 1.00 0.00 C ATOM 1169 OH TYR A 99 1.414 -12.848 -12.878 1.00 0.00 O ATOM 0 H TYR A 99 5.112 -8.461 -7.562 1.00 0.00 H new ATOM 0 HA TYR A 99 4.003 -10.293 -8.141 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.929 -9.892 -10.032 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.347 -11.517 -9.526 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.422 -13.290 -9.544 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.181 -9.545 -11.563 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.639 -14.177 -10.979 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.399 -10.433 -12.995 1.00 0.00 H new ATOM 0 HH TYR A 99 0.551 -12.754 -12.422 1.00 0.00 H new ATOM 1179 N THR A 100 4.780 -11.603 -6.029 1.00 0.00 N ATOM 1180 CA THR A 100 4.902 -12.687 -5.068 1.00 0.00 C ATOM 1181 C THR A 100 3.639 -12.757 -4.212 1.00 0.00 C ATOM 1182 O THR A 100 3.484 -11.989 -3.261 1.00 0.00 O ATOM 1183 CB THR A 100 6.132 -12.502 -4.155 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.291 -12.208 -4.948 1.00 0.00 O ATOM 1185 CG2 THR A 100 6.388 -13.756 -3.330 1.00 0.00 C ATOM 0 H THR A 100 4.212 -10.820 -5.706 1.00 0.00 H new ATOM 0 HA THR A 100 5.031 -13.615 -5.624 1.00 0.00 H new ATOM 0 HB THR A 100 5.931 -11.672 -3.478 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.067 -12.090 -4.362 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.260 -13.602 -2.694 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.518 -13.966 -2.708 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.570 -14.599 -3.996 1.00 0.00 H new ATOM 1193 N PRO A 101 2.722 -13.682 -4.541 1.00 0.00 N ATOM 1194 CA PRO A 101 1.412 -13.791 -3.877 1.00 0.00 C ATOM 1195 C PRO A 101 1.521 -14.090 -2.383 1.00 0.00 C ATOM 1196 O PRO A 101 0.581 -13.859 -1.625 1.00 0.00 O ATOM 1197 CB PRO A 101 0.729 -14.956 -4.605 1.00 0.00 C ATOM 1198 CG PRO A 101 1.467 -15.098 -5.892 1.00 0.00 C ATOM 1199 CD PRO A 101 2.881 -14.697 -5.595 1.00 0.00 C ATOM 0 HA PRO A 101 0.862 -12.852 -3.933 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.782 -15.873 -4.018 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.327 -14.748 -4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.420 -16.123 -6.259 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.034 -14.462 -6.664 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.477 -15.543 -5.254 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.379 -14.290 -6.475 1.00 0.00 H new ATOM 1207 N GLN A 102 2.672 -14.595 -1.964 1.00 0.00 N ATOM 1208 CA GLN A 102 2.891 -14.933 -0.567 1.00 0.00 C ATOM 1209 C GLN A 102 3.330 -13.706 0.228 1.00 0.00 C ATOM 1210 O GLN A 102 2.940 -13.531 1.380 1.00 0.00 O ATOM 1211 CB GLN A 102 3.934 -16.045 -0.447 1.00 0.00 C ATOM 1212 CG GLN A 102 4.114 -16.556 0.970 1.00 0.00 C ATOM 1213 CD GLN A 102 5.129 -17.673 1.060 1.00 0.00 C ATOM 1214 OE1 GLN A 102 4.786 -18.850 0.945 1.00 0.00 O ATOM 1215 NE2 GLN A 102 6.387 -17.315 1.250 1.00 0.00 N ATOM 0 H GLN A 102 3.469 -14.780 -2.573 1.00 0.00 H new ATOM 0 HA GLN A 102 1.948 -15.289 -0.151 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.643 -16.876 -1.090 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.891 -15.676 -0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.427 -15.733 1.612 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.155 -16.910 1.349 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.628 -16.328 1.340 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.117 -18.026 1.306 1.00 0.00 H new ATOM 1224 N SER A 103 4.126 -12.850 -0.402 1.00 0.00 N ATOM 1225 CA SER A 103 4.642 -11.658 0.256 1.00 0.00 C ATOM 1226 C SER A 103 3.631 -10.515 0.193 1.00 0.00 C ATOM 1227 O SER A 103 3.731 -9.546 0.949 1.00 0.00 O ATOM 1228 CB SER A 103 5.958 -11.223 -0.397 1.00 0.00 C ATOM 1229 OG SER A 103 6.922 -12.264 -0.358 1.00 0.00 O ATOM 0 H SER A 103 4.428 -12.961 -1.370 1.00 0.00 H new ATOM 0 HA SER A 103 4.821 -11.901 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.775 -10.933 -1.432 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.348 -10.344 0.116 1.00 0.00 H new ATOM 0 HG SER A 103 7.751 -11.959 -0.783 1.00 0.00 H new ATOM 1235 N SER A 104 2.657 -10.629 -0.698 1.00 0.00 N ATOM 1236 CA SER A 104 1.670 -9.579 -0.872 1.00 0.00 C ATOM 1237 C SER A 104 0.296 -10.047 -0.400 1.00 0.00 C ATOM 1238 O SER A 104 -0.013 -11.238 -0.436 1.00 0.00 O ATOM 1239 CB SER A 104 1.624 -9.136 -2.339 1.00 0.00 C ATOM 1240 OG SER A 104 1.431 -10.241 -3.206 1.00 0.00 O ATOM 0 H SER A 104 2.531 -11.436 -1.309 1.00 0.00 H new ATOM 0 HA SER A 104 1.959 -8.723 -0.262 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.817 -8.417 -2.479 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.553 -8.627 -2.597 1.00 0.00 H new ATOM 0 HG SER A 104 2.285 -10.701 -3.345 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.510 -9.109 0.067 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.848 -9.413 0.549 1.00 0.00 C ATOM 1248 C ILE A 105 -2.891 -8.602 -0.207 1.00 0.00 C ATOM 1249 O ILE A 105 -2.589 -7.549 -0.775 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.995 -9.119 2.059 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.569 -7.677 2.358 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.188 -10.114 2.881 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.728 -7.270 3.808 1.00 0.00 C ATOM 0 H ILE A 105 -0.259 -8.122 0.123 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.008 -10.478 0.379 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.042 -9.231 2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.525 -7.551 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.155 -7.001 1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.305 -9.890 3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.545 -11.124 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.135 -10.041 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.405 -6.237 3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.775 -7.360 4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.119 -7.920 4.437 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.112 -9.102 -0.204 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.232 -8.403 -0.811 1.00 0.00 C ATOM 1267 C ILE A 106 -6.248 -8.042 0.265 1.00 0.00 C ATOM 1268 O ILE A 106 -6.675 -8.900 1.042 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.902 -9.249 -1.921 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.027 -9.264 -3.173 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.296 -8.724 -2.248 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.557 -10.146 -4.284 1.00 0.00 C ATOM 0 H ILE A 106 -4.356 -9.999 0.216 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.854 -7.494 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 106 -6.008 -10.270 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.929 -8.245 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.027 -9.601 -2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.742 -9.338 -3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.919 -8.766 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.225 -7.692 -2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.880 -10.103 -5.137 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.629 -11.174 -3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.544 -9.797 -4.586 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.615 -6.774 0.323 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.524 -6.297 1.353 1.00 0.00 C ATOM 1286 C CYS A 107 -8.942 -6.137 0.817 1.00 0.00 C ATOM 1287 O CYS A 107 -9.144 -5.792 -0.348 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.025 -4.970 1.922 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.397 -5.087 2.729 1.00 0.00 S ATOM 0 H CYS A 107 -6.299 -6.056 -0.329 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.549 -7.043 2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.970 -4.237 1.117 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.752 -4.597 2.643 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.919 -6.401 1.674 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.318 -6.237 1.324 1.00 0.00 C ATOM 1296 C TYR A 108 -12.000 -5.342 2.348 1.00 0.00 C ATOM 1297 O TYR A 108 -11.609 -5.321 3.515 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.028 -7.592 1.256 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.532 -8.489 0.142 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.941 -8.286 -1.171 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.658 -9.540 0.402 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.490 -9.099 -2.193 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.203 -10.357 -0.616 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.623 -10.132 -1.912 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.170 -10.941 -2.932 1.00 0.00 O ATOM 0 H TYR A 108 -9.763 -6.733 2.626 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.377 -5.773 0.339 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.899 -8.107 2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.097 -7.425 1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.623 -7.479 -1.396 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.330 -9.720 1.415 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.816 -8.925 -3.208 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.523 -11.167 -0.399 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.565 -11.620 -2.567 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.006 -4.603 1.915 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.699 -3.704 2.810 1.00 0.00 C ATOM 1317 C GLY A 109 -13.640 -2.269 2.338 1.00 0.00 C ATOM 1318 O GLY A 109 -13.678 -2.001 1.135 1.00 0.00 O ATOM 0 H GLY A 109 -13.356 -4.609 0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.741 -4.013 2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.260 -3.775 3.805 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.540 -1.347 3.281 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.523 0.070 2.960 1.00 0.00 C ATOM 1324 C GLN A 110 -12.158 0.487 2.425 1.00 0.00 C ATOM 1325 O GLN A 110 -11.120 0.080 2.952 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.880 0.893 4.196 1.00 0.00 C ATOM 1327 CG GLN A 110 -14.325 2.309 3.864 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.564 2.322 2.990 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.405 1.426 3.073 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -15.686 3.326 2.141 1.00 0.00 N ATOM 0 H GLN A 110 -13.469 -1.555 4.277 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.266 0.256 2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.676 0.388 4.744 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.015 0.936 4.858 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.526 2.852 4.787 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -13.516 2.834 3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.969 4.050 2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.498 3.378 1.525 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.181 1.298 1.371 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.966 1.766 0.712 1.00 0.00 C ATOM 1341 C LEU A 111 -10.031 2.454 1.700 1.00 0.00 C ATOM 1342 O LEU A 111 -10.344 3.521 2.229 1.00 0.00 O ATOM 1343 CB LEU A 111 -11.323 2.735 -0.425 1.00 0.00 C ATOM 1344 CG LEU A 111 -10.134 3.362 -1.164 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -9.380 2.321 -1.984 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -10.607 4.504 -2.054 1.00 0.00 C ATOM 0 H LEU A 111 -13.041 1.649 0.950 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.451 0.897 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.938 2.203 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.936 3.537 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.446 3.760 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -8.543 2.797 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.004 1.540 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.053 1.881 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.753 4.939 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.320 4.124 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.088 5.267 -1.442 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.887 1.832 1.948 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.906 2.413 2.839 1.00 0.00 C ATOM 1360 C GLY A 112 -7.843 1.705 4.176 1.00 0.00 C ATOM 1361 O GLY A 112 -6.993 2.018 5.011 1.00 0.00 O ATOM 0 H GLY A 112 -8.621 0.933 1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.925 2.377 2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.144 3.465 3.000 1.00 0.00 H new ATOM 1365 N SER A 113 -8.740 0.752 4.388 1.00 0.00 N ATOM 1366 CA SER A 113 -8.776 0.015 5.636 1.00 0.00 C ATOM 1367 C SER A 113 -8.129 -1.357 5.465 1.00 0.00 C ATOM 1368 O SER A 113 -8.593 -2.180 4.673 1.00 0.00 O ATOM 1369 CB SER A 113 -10.221 -0.130 6.132 1.00 0.00 C ATOM 1370 OG SER A 113 -10.258 -0.494 7.502 1.00 0.00 O ATOM 0 H SER A 113 -9.450 0.474 3.711 1.00 0.00 H new ATOM 0 HA SER A 113 -8.210 0.572 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.754 0.810 5.988 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.738 -0.884 5.538 1.00 0.00 H new ATOM 0 HG SER A 113 -9.866 0.224 8.042 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.058 -1.595 6.209 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.354 -2.871 6.175 1.00 0.00 C ATOM 1378 C PHE A 114 -6.805 -3.733 7.350 1.00 0.00 C ATOM 1379 O PHE A 114 -6.039 -4.524 7.900 1.00 0.00 O ATOM 1380 CB PHE A 114 -4.836 -2.647 6.237 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.294 -1.813 5.101 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.302 -0.425 5.170 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.778 -2.416 3.966 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.804 0.338 4.131 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.279 -1.656 2.926 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.294 -0.278 3.008 1.00 0.00 C ATOM 0 H PHE A 114 -6.653 -0.913 6.851 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.589 -3.382 5.241 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.588 -2.162 7.181 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.335 -3.615 6.235 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.702 0.063 6.046 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.766 -3.493 3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.814 1.416 4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.877 -2.140 2.048 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.907 0.317 2.194 1.00 0.00 H new ATOM 1396 N SER A 115 -8.064 -3.562 7.729 1.00 0.00 N ATOM 1397 CA SER A 115 -8.632 -4.267 8.869 1.00 0.00 C ATOM 1398 C SER A 115 -9.001 -5.702 8.499 1.00 0.00 C ATOM 1399 O SER A 115 -9.163 -6.558 9.369 1.00 0.00 O ATOM 1400 CB SER A 115 -9.869 -3.522 9.365 1.00 0.00 C ATOM 1401 OG SER A 115 -9.589 -2.140 9.537 1.00 0.00 O ATOM 0 H SER A 115 -8.716 -2.935 7.258 1.00 0.00 H new ATOM 0 HA SER A 115 -7.884 -4.304 9.661 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.684 -3.647 8.653 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.203 -3.951 10.310 1.00 0.00 H new ATOM 0 HG SER A 115 -9.944 -1.637 8.775 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.130 -5.958 7.205 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.522 -7.273 6.722 1.00 0.00 C ATOM 1409 C ASN A 116 -8.809 -7.589 5.415 1.00 0.00 C ATOM 1410 O ASN A 116 -9.307 -7.295 4.326 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.041 -7.344 6.531 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.512 -8.729 6.124 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -10.902 -9.738 6.482 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.606 -8.785 5.380 1.00 0.00 N ATOM 0 H ASN A 116 -8.968 -5.270 6.470 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.233 -8.015 7.466 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.534 -7.054 7.459 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.342 -6.623 5.771 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.974 -9.688 5.081 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -13.081 -7.925 5.106 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.626 -8.166 5.525 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.852 -8.534 4.353 1.00 0.00 C ATOM 1423 C CYS A 117 -6.508 -10.013 4.400 1.00 0.00 C ATOM 1424 O CYS A 117 -6.465 -10.610 5.476 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.568 -7.704 4.266 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.813 -5.917 4.535 1.00 0.00 S ATOM 0 H CYS A 117 -7.180 -8.390 6.415 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.455 -8.332 3.468 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.857 -8.077 5.003 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.118 -7.854 3.285 1.00 0.00 H new ATOM 1431 N SER A 118 -6.277 -10.605 3.243 1.00 0.00 N ATOM 1432 CA SER A 118 -5.942 -12.014 3.171 1.00 0.00 C ATOM 1433 C SER A 118 -4.800 -12.250 2.187 1.00 0.00 C ATOM 1434 O SER A 118 -4.342 -11.318 1.521 1.00 0.00 O ATOM 1435 CB SER A 118 -7.175 -12.822 2.765 1.00 0.00 C ATOM 1436 OG SER A 118 -8.245 -12.610 3.673 1.00 0.00 O ATOM 0 H SER A 118 -6.315 -10.132 2.340 1.00 0.00 H new ATOM 0 HA SER A 118 -5.611 -12.344 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.485 -12.538 1.759 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.925 -13.882 2.734 1.00 0.00 H new ATOM 0 HG SER A 118 -9.022 -13.136 3.391 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.344 -13.494 2.109 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.277 -13.884 1.190 1.00 0.00 C ATOM 1444 C HIS A 119 -3.675 -13.561 -0.249 1.00 0.00 C ATOM 1445 O HIS A 119 -4.828 -13.758 -0.636 1.00 0.00 O ATOM 1446 CB HIS A 119 -3.006 -15.384 1.359 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.911 -15.940 0.499 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.950 -16.503 -0.732 1.00 0.00 N flip ATOM 1449 CD2 HIS A 119 -0.599 -16.014 0.909 1.00 0.00 C flip ATOM 1450 CE1 HIS A 119 -0.673 -16.907 -1.034 1.00 0.00 C flip ATOM 1451 NE2 HIS A 119 0.120 -16.600 -0.026 1.00 0.00 N flip ATOM 0 H HIS A 119 -4.701 -14.261 2.679 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.368 -13.326 1.416 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.758 -15.576 2.403 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.926 -15.929 1.144 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -2.774 -16.607 -1.324 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -0.218 -15.648 1.851 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.368 -17.396 -1.947 1.00 0.00 H new ATOM 1459 N SER A 120 -2.728 -13.056 -1.030 1.00 0.00 N ATOM 1460 CA SER A 120 -2.999 -12.697 -2.413 1.00 0.00 C ATOM 1461 C SER A 120 -3.251 -13.955 -3.240 1.00 0.00 C ATOM 1462 O SER A 120 -2.323 -14.612 -3.705 1.00 0.00 O ATOM 1463 CB SER A 120 -1.835 -11.889 -2.994 1.00 0.00 C ATOM 1464 OG SER A 120 -2.148 -11.388 -4.282 1.00 0.00 O ATOM 0 H SER A 120 -1.768 -12.887 -0.729 1.00 0.00 H new ATOM 0 HA SER A 120 -3.893 -12.075 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.596 -11.060 -2.327 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.946 -12.518 -3.052 1.00 0.00 H new ATOM 0 HG SER A 120 -1.540 -10.652 -4.504 1.00 0.00 H new ATOM 1470 N ARG A 121 -4.522 -14.292 -3.405 1.00 0.00 N ATOM 1471 CA ARG A 121 -4.908 -15.499 -4.117 1.00 0.00 C ATOM 1472 C ARG A 121 -5.184 -15.189 -5.591 1.00 0.00 C ATOM 1473 O ARG A 121 -5.785 -15.987 -6.314 1.00 0.00 O ATOM 1474 CB ARG A 121 -6.142 -16.113 -3.440 1.00 0.00 C ATOM 1475 CG ARG A 121 -6.496 -17.515 -3.920 1.00 0.00 C ATOM 1476 CD ARG A 121 -5.331 -18.478 -3.775 1.00 0.00 C ATOM 1477 NE ARG A 121 -5.717 -19.838 -4.134 1.00 0.00 N ATOM 1478 CZ ARG A 121 -5.087 -20.575 -5.041 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -4.027 -20.092 -5.676 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -5.510 -21.800 -5.312 1.00 0.00 N ATOM 0 H ARG A 121 -5.306 -13.743 -3.053 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.091 -16.219 -4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -5.972 -16.144 -2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -6.997 -15.458 -3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -7.348 -17.888 -3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -6.804 -17.473 -4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.507 -18.153 -4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.968 -18.460 -2.747 1.00 0.00 H new ATOM 0 HE ARG A 121 -6.521 -20.248 -3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.693 -19.151 -5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.546 -20.662 -6.372 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -6.321 -22.179 -4.824 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -5.025 -22.365 -6.009 1.00 0.00 H new ATOM 1493 N ASN A 122 -4.728 -14.029 -6.040 1.00 0.00 N ATOM 1494 CA ASN A 122 -4.922 -13.627 -7.424 1.00 0.00 C ATOM 1495 C ASN A 122 -3.570 -13.506 -8.116 1.00 0.00 C ATOM 1496 O ASN A 122 -2.665 -12.837 -7.619 1.00 0.00 O ATOM 1497 CB ASN A 122 -5.690 -12.305 -7.508 1.00 0.00 C ATOM 1498 CG ASN A 122 -6.212 -12.026 -8.907 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -5.619 -12.443 -9.898 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -7.329 -11.323 -8.996 1.00 0.00 N ATOM 0 H ASN A 122 -4.223 -13.352 -5.468 1.00 0.00 H new ATOM 0 HA ASN A 122 -5.515 -14.389 -7.930 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -6.526 -12.329 -6.809 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.038 -11.489 -7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -7.726 -11.110 -9.911 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -7.793 -10.994 -8.150 1.00 0.00 H new ATOM 1507 N ASP A 123 -3.442 -14.156 -9.262 1.00 0.00 N ATOM 1508 CA ASP A 123 -2.167 -14.241 -9.963 1.00 0.00 C ATOM 1509 C ASP A 123 -1.857 -12.978 -10.759 1.00 0.00 C ATOM 1510 O ASP A 123 -0.713 -12.757 -11.153 1.00 0.00 O ATOM 1511 CB ASP A 123 -2.147 -15.461 -10.885 1.00 0.00 C ATOM 1512 CG ASP A 123 -1.972 -16.760 -10.126 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -2.892 -17.153 -9.376 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -0.906 -17.394 -10.271 1.00 0.00 O ATOM 0 H ASP A 123 -4.210 -14.636 -9.730 1.00 0.00 H new ATOM 0 HA ASP A 123 -1.391 -14.346 -9.204 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.077 -15.498 -11.453 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -1.337 -15.354 -11.606 1.00 0.00 H new ATOM 1519 N MET A 124 -2.863 -12.144 -10.983 1.00 0.00 N ATOM 1520 CA MET A 124 -2.658 -10.884 -11.695 1.00 0.00 C ATOM 1521 C MET A 124 -2.392 -9.757 -10.696 1.00 0.00 C ATOM 1522 O MET A 124 -2.803 -8.610 -10.887 1.00 0.00 O ATOM 1523 CB MET A 124 -3.865 -10.551 -12.586 1.00 0.00 C ATOM 1524 CG MET A 124 -5.140 -10.213 -11.825 1.00 0.00 C ATOM 1525 SD MET A 124 -6.548 -9.927 -12.911 1.00 0.00 S ATOM 1526 CE MET A 124 -6.710 -11.537 -13.679 1.00 0.00 C ATOM 0 H MET A 124 -3.824 -12.313 -10.686 1.00 0.00 H new ATOM 0 HA MET A 124 -1.788 -10.990 -12.343 1.00 0.00 H new ATOM 0 HB2 MET A 124 -3.606 -9.708 -13.227 1.00 0.00 H new ATOM 0 HB3 MET A 124 -4.062 -11.400 -13.240 1.00 0.00 H new ATOM 0 HG2 MET A 124 -5.375 -11.028 -11.140 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.970 -9.324 -11.217 1.00 0.00 H new ATOM 0 HE1 MET A 124 -7.724 -11.657 -14.061 1.00 0.00 H new ATOM 0 HE2 MET A 124 -6.000 -11.621 -14.501 1.00 0.00 H new ATOM 0 HE3 MET A 124 -6.505 -12.314 -12.942 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.688 -10.102 -9.627 1.00 0.00 N ATOM 1537 CA CYS A 125 -1.396 -9.160 -8.556 1.00 0.00 C ATOM 1538 C CYS A 125 -0.374 -8.115 -9.006 1.00 0.00 C ATOM 1539 O CYS A 125 0.454 -8.367 -9.888 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.881 -9.904 -7.317 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.487 -8.830 -5.895 1.00 0.00 S ATOM 0 H CYS A 125 -1.306 -11.036 -9.478 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.321 -8.643 -8.300 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.631 -10.632 -7.009 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.013 -10.464 -7.591 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.454 -6.943 -8.396 1.00 0.00 N ATOM 1547 CA HIS A 126 0.447 -5.838 -8.690 1.00 0.00 C ATOM 1548 C HIS A 126 0.916 -5.219 -7.380 1.00 0.00 C ATOM 1549 O HIS A 126 0.112 -5.022 -6.469 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.260 -4.768 -9.537 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.657 -5.219 -10.912 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -1.940 -5.607 -11.237 1.00 0.00 N ATOM 1553 CD2 HIS A 126 0.062 -5.321 -12.056 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -1.993 -5.930 -12.515 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.793 -5.764 -13.037 1.00 0.00 N ATOM 0 H HIS A 126 -1.148 -6.730 -7.680 1.00 0.00 H new ATOM 0 HA HIS A 126 1.299 -6.218 -9.255 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.152 -4.435 -9.007 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.397 -3.903 -9.629 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -2.727 -5.639 -10.589 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.112 -5.096 -12.175 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.870 -6.272 -13.044 1.00 0.00 H new ATOM 1563 N SER A 127 2.209 -4.941 -7.272 1.00 0.00 N ATOM 1564 CA SER A 127 2.748 -4.298 -6.082 1.00 0.00 C ATOM 1565 C SER A 127 2.261 -2.857 -5.993 1.00 0.00 C ATOM 1566 O SER A 127 2.467 -2.064 -6.920 1.00 0.00 O ATOM 1567 CB SER A 127 4.277 -4.330 -6.105 1.00 0.00 C ATOM 1568 OG SER A 127 4.763 -5.664 -6.164 1.00 0.00 O ATOM 0 H SER A 127 2.901 -5.150 -7.991 1.00 0.00 H new ATOM 0 HA SER A 127 2.397 -4.845 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.642 -3.769 -6.965 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.667 -3.837 -5.214 1.00 0.00 H new ATOM 0 HG SER A 127 5.308 -5.849 -5.371 1.00 0.00 H new ATOM 1574 N LEU A 128 1.606 -2.523 -4.889 1.00 0.00 N ATOM 1575 CA LEU A 128 1.094 -1.178 -4.696 1.00 0.00 C ATOM 1576 C LEU A 128 2.244 -0.213 -4.434 1.00 0.00 C ATOM 1577 O LEU A 128 3.056 -0.424 -3.528 1.00 0.00 O ATOM 1578 CB LEU A 128 0.094 -1.131 -3.537 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.649 0.196 -3.375 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.517 0.484 -4.591 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.496 0.178 -2.115 1.00 0.00 C ATOM 0 H LEU A 128 1.419 -3.164 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 128 0.574 -0.878 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.639 -1.925 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.625 -1.348 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 128 0.091 0.991 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.035 1.433 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -0.890 0.540 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.249 -0.314 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.018 1.129 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.224 -0.631 -2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.855 0.022 -1.248 1.00 0.00 H new ATOM 1593 N GLY A 129 2.306 0.831 -5.240 1.00 0.00 N ATOM 1594 CA GLY A 129 3.352 1.814 -5.121 1.00 0.00 C ATOM 1595 C GLY A 129 2.802 3.186 -4.822 1.00 0.00 C ATOM 1596 O GLY A 129 1.788 3.595 -5.395 1.00 0.00 O ATOM 0 H GLY A 129 1.636 1.015 -5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.040 1.518 -4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.927 1.847 -6.047 1.00 0.00 H new ATOM 1600 N LEU A 130 3.463 3.896 -3.927 1.00 0.00 N ATOM 1601 CA LEU A 130 3.042 5.231 -3.548 1.00 0.00 C ATOM 1602 C LEU A 130 4.191 6.215 -3.726 1.00 0.00 C ATOM 1603 O LEU A 130 5.308 5.964 -3.267 1.00 0.00 O ATOM 1604 CB LEU A 130 2.561 5.233 -2.093 1.00 0.00 C ATOM 1605 CG LEU A 130 2.084 6.585 -1.553 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.895 7.099 -2.348 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.731 6.471 -0.075 1.00 0.00 C ATOM 0 H LEU A 130 4.300 3.567 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 130 2.218 5.539 -4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.745 4.516 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.374 4.876 -1.460 1.00 0.00 H new ATOM 0 HG LEU A 130 2.898 7.302 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.576 8.060 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.181 7.221 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.074 6.385 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.394 7.440 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.936 5.737 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.611 6.155 0.486 1.00 0.00 H new ATOM 1619 N THR A 131 3.919 7.313 -4.415 1.00 0.00 N ATOM 1620 CA THR A 131 4.909 8.356 -4.611 1.00 0.00 C ATOM 1621 C THR A 131 4.522 9.599 -3.819 1.00 0.00 C ATOM 1622 O THR A 131 3.577 10.307 -4.174 1.00 0.00 O ATOM 1623 CB THR A 131 5.043 8.720 -6.102 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.283 7.534 -6.868 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.172 9.714 -6.334 1.00 0.00 C ATOM 0 H THR A 131 3.016 7.503 -4.849 1.00 0.00 H new ATOM 0 HA THR A 131 5.869 7.979 -4.257 1.00 0.00 H new ATOM 0 HB THR A 131 4.111 9.186 -6.420 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.366 7.768 -7.816 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.238 9.948 -7.396 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.974 10.627 -5.773 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.114 9.279 -5.999 1.00 0.00 H new ATOM 1633 N CYS A 132 5.241 9.847 -2.741 1.00 0.00 N ATOM 1634 CA CYS A 132 4.975 10.998 -1.895 1.00 0.00 C ATOM 1635 C CYS A 132 5.841 12.171 -2.327 1.00 0.00 C ATOM 1636 O CYS A 132 6.946 11.976 -2.831 1.00 0.00 O ATOM 1637 CB CYS A 132 5.245 10.641 -0.436 1.00 0.00 C ATOM 1638 SG CYS A 132 4.351 9.155 0.113 1.00 0.00 S ATOM 0 H CYS A 132 6.018 9.265 -2.428 1.00 0.00 H new ATOM 0 HA CYS A 132 3.928 11.285 -1.996 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.315 10.485 -0.298 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.961 11.482 0.196 1.00 0.00 H new ATOM 1643 N LEU A 133 5.323 13.382 -2.144 1.00 0.00 N ATOM 1644 CA LEU A 133 6.026 14.592 -2.550 1.00 0.00 C ATOM 1645 C LEU A 133 7.341 14.721 -1.787 1.00 0.00 C ATOM 1646 O LEU A 133 7.362 15.098 -0.612 1.00 0.00 O ATOM 1647 CB LEU A 133 5.134 15.819 -2.317 1.00 0.00 C ATOM 1648 CG LEU A 133 5.431 17.050 -3.184 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.284 18.043 -3.095 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.729 17.721 -2.762 1.00 0.00 C ATOM 0 H LEU A 133 4.413 13.550 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 133 6.257 14.531 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.098 15.525 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 133 5.219 16.110 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 133 5.540 16.715 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.506 18.912 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.366 17.572 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.155 18.359 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.912 18.590 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.653 18.039 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.554 17.016 -2.866 1.00 0.00 H new ATOM 1662 N GLU A 134 8.425 14.364 -2.457 1.00 0.00 N ATOM 1663 CA GLU A 134 9.760 14.485 -1.900 1.00 0.00 C ATOM 1664 C GLU A 134 10.329 15.869 -2.191 1.00 0.00 C ATOM 1665 O GLU A 134 10.306 16.295 -3.365 1.00 0.00 O ATOM 1666 CB GLU A 134 10.683 13.396 -2.455 1.00 0.00 C ATOM 1667 CG GLU A 134 10.603 13.235 -3.964 1.00 0.00 C ATOM 1668 CD GLU A 134 11.819 12.546 -4.541 1.00 0.00 C ATOM 1669 OE1 GLU A 134 11.883 11.300 -4.504 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.722 13.256 -5.038 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.809 16.523 -1.244 1.00 0.00 O ATOM 0 H GLU A 134 8.403 13.982 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 134 9.695 14.354 -0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.711 13.628 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.433 12.446 -1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 134 9.711 12.662 -4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.493 14.217 -4.425 1.00 0.00 H new