USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1034 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 126 TYR OH : rot -10:sc= 1.3 USER MOD Set 1.2: A 130 MET CE :methyl -113:sc= -3.97! (180deg=-8.14!) USER MOD Set 2.1: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 100 SER OG : rot -24:sc=-0.00865 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -116:sc= 0.909 (180deg=-0.703) USER MOD Single : A 20 SER OG : rot 88:sc= 1.28 USER MOD Single : A 21 HIS : no HE2:sc= -0.192 K(o=-0.19,f=-7.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.89 USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 1.64 (180deg=1.5) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 155:sc= 1.13 USER MOD Single : A 40 ASN : amide:sc= 0.413 K(o=0.41,f=-2.2) USER MOD Single : A 47 CYS SG : rot 65:sc= -0.534! USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= 0.366 (180deg=-0.0881) USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0489) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.767 K(o=-0.77,f=-1.9!) USER MOD Single : A 60 HIS :FLIP no HE2:sc= -0.711 F(o=-2.5!,f=-0.71) USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= 1.21 (180deg=1.05) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= 1.24 (180deg=0.699) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.727 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0746 X(o=-0.075,f=-0.3) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= 1.12 (180deg=0.488) USER MOD Single : A 80 ASN : amide:sc= 1.34 K(o=1.3,f=-0.074) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot -120:sc= -0.843 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -49:sc= 1.24 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 92 SER OG : rot 84:sc= 0.844 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 99 HIS :FLIP no HD1:sc= -0.616 F(o=-1.3,f=-0.62) USER MOD Single : A 105 GLN : amide:sc= -0.0113 K(o=-0.011,f=-1.9!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 165:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.765 X(o=-0.77,f=-0.46) USER MOD Single : A 112 MET CE :methyl -149:sc= -1.25 (180deg=-2.56) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot -123:sc= 1.22 USER MOD Single : A 117 TYR OH : rot 32:sc= 1.26 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00443 USER MOD Single : A 122 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0364) USER MOD Single : A 123 SER OG : rot -82:sc= 1.35 USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 140.743 5.240 4.099 1.00 0.00 N ATOM 32 CA VAL A 3 140.748 5.417 2.683 1.00 0.00 C ATOM 33 C VAL A 3 141.523 6.664 2.274 1.00 0.00 C ATOM 34 O VAL A 3 141.276 7.761 2.764 1.00 0.00 O ATOM 35 CB VAL A 3 139.308 5.422 2.109 1.00 0.00 C ATOM 36 CG1 VAL A 3 138.435 6.429 2.814 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.313 5.689 0.628 1.00 0.00 C ATOM 0 HA VAL A 3 141.268 4.562 2.250 1.00 0.00 H new ATOM 0 HB VAL A 3 138.892 4.429 2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.433 6.405 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 3 138.382 6.185 3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 3 138.858 7.426 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.289 5.686 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 3 139.767 6.661 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 3 139.886 4.913 0.120 1.00 0.00 H new ATOM 47 N SER A 4 142.498 6.464 1.437 1.00 0.00 N ATOM 48 CA SER A 4 143.278 7.533 0.876 1.00 0.00 C ATOM 49 C SER A 4 142.429 8.312 -0.125 1.00 0.00 C ATOM 50 O SER A 4 141.550 7.740 -0.759 1.00 0.00 O ATOM 51 CB SER A 4 144.518 6.937 0.241 1.00 0.00 C ATOM 52 OG SER A 4 145.257 6.189 1.197 1.00 0.00 O ATOM 0 H SER A 4 142.780 5.537 1.118 1.00 0.00 H new ATOM 0 HA SER A 4 143.593 8.238 1.646 1.00 0.00 H new ATOM 0 HB2 SER A 4 144.234 6.294 -0.592 1.00 0.00 H new ATOM 0 HB3 SER A 4 145.142 7.732 -0.169 1.00 0.00 H new ATOM 0 HG SER A 4 146.054 5.809 0.771 1.00 0.00 H new ATOM 58 N PRO A 5 142.653 9.632 -0.253 1.00 0.00 N ATOM 59 CA PRO A 5 141.851 10.507 -1.115 1.00 0.00 C ATOM 60 C PRO A 5 141.704 10.011 -2.556 1.00 0.00 C ATOM 61 O PRO A 5 140.652 10.175 -3.152 1.00 0.00 O ATOM 62 CB PRO A 5 142.576 11.859 -1.070 1.00 0.00 C ATOM 63 CG PRO A 5 143.894 11.586 -0.426 1.00 0.00 C ATOM 64 CD PRO A 5 143.695 10.395 0.454 1.00 0.00 C ATOM 0 HA PRO A 5 140.823 10.551 -0.754 1.00 0.00 H new ATOM 0 HB2 PRO A 5 142.706 12.267 -2.072 1.00 0.00 H new ATOM 0 HB3 PRO A 5 142.005 12.591 -0.499 1.00 0.00 H new ATOM 0 HG2 PRO A 5 144.660 11.391 -1.177 1.00 0.00 H new ATOM 0 HG3 PRO A 5 144.228 12.446 0.154 1.00 0.00 H new ATOM 0 HD2 PRO A 5 144.613 9.818 0.565 1.00 0.00 H new ATOM 0 HD3 PRO A 5 143.375 10.682 1.456 1.00 0.00 H new ATOM 72 N GLU A 6 142.707 9.336 -3.085 1.00 0.00 N ATOM 73 CA GLU A 6 142.606 8.888 -4.488 1.00 0.00 C ATOM 74 C GLU A 6 141.896 7.549 -4.577 1.00 0.00 C ATOM 75 O GLU A 6 141.303 7.203 -5.600 1.00 0.00 O ATOM 76 CB GLU A 6 143.941 8.904 -5.283 1.00 0.00 C ATOM 77 CG GLU A 6 145.027 7.968 -4.802 1.00 0.00 C ATOM 78 CD GLU A 6 145.526 8.322 -3.456 1.00 0.00 C ATOM 79 OE1 GLU A 6 144.949 7.874 -2.484 1.00 0.00 O ATOM 80 OE2 GLU A 6 146.514 9.063 -3.346 1.00 0.00 O ATOM 0 H GLU A 6 143.570 9.087 -2.602 1.00 0.00 H new ATOM 0 HA GLU A 6 141.998 9.640 -4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 6 143.721 8.664 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 6 144.335 9.920 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 6 144.642 6.948 -4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 6 145.856 7.985 -5.509 1.00 0.00 H new ATOM 87 N GLU A 7 141.925 6.821 -3.485 1.00 0.00 N ATOM 88 CA GLU A 7 141.167 5.601 -3.360 1.00 0.00 C ATOM 89 C GLU A 7 139.704 6.012 -3.298 1.00 0.00 C ATOM 90 O GLU A 7 138.858 5.476 -4.002 1.00 0.00 O ATOM 91 CB GLU A 7 141.603 4.872 -2.077 1.00 0.00 C ATOM 92 CG GLU A 7 140.789 3.647 -1.682 1.00 0.00 C ATOM 93 CD GLU A 7 140.777 2.564 -2.707 1.00 0.00 C ATOM 94 OE1 GLU A 7 141.857 2.196 -3.221 1.00 0.00 O ATOM 95 OE2 GLU A 7 139.705 2.011 -2.984 1.00 0.00 O ATOM 0 H GLU A 7 142.475 7.059 -2.659 1.00 0.00 H new ATOM 0 HA GLU A 7 141.329 4.920 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.643 4.567 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.570 5.584 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 7 141.187 3.245 -0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 7 139.763 3.955 -1.484 1.00 0.00 H new ATOM 102 N ALA A 8 139.464 7.047 -2.513 1.00 0.00 N ATOM 103 CA ALA A 8 138.157 7.616 -2.328 1.00 0.00 C ATOM 104 C ALA A 8 137.610 8.197 -3.639 1.00 0.00 C ATOM 105 O ALA A 8 136.475 7.917 -3.997 1.00 0.00 O ATOM 106 CB ALA A 8 138.190 8.656 -1.205 1.00 0.00 C ATOM 0 H ALA A 8 140.193 7.520 -1.979 1.00 0.00 H new ATOM 0 HA ALA A 8 137.470 6.824 -2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 8 137.195 9.081 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.507 8.180 -0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.892 9.449 -1.464 1.00 0.00 H new ATOM 112 N VAL A 9 138.418 8.994 -4.376 1.00 0.00 N ATOM 113 CA VAL A 9 137.952 9.553 -5.670 1.00 0.00 C ATOM 114 C VAL A 9 137.630 8.453 -6.659 1.00 0.00 C ATOM 115 O VAL A 9 136.740 8.599 -7.489 1.00 0.00 O ATOM 116 CB VAL A 9 138.936 10.564 -6.361 1.00 0.00 C ATOM 117 CG1 VAL A 9 139.259 11.740 -5.478 1.00 0.00 C ATOM 118 CG2 VAL A 9 140.208 9.897 -6.880 1.00 0.00 C ATOM 0 H VAL A 9 139.366 9.259 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 9 137.060 10.117 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 9 138.402 10.944 -7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 9 139.942 12.410 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 9 138.341 12.275 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 9 139.728 11.387 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 9 140.847 10.646 -7.347 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.740 9.432 -6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 9 139.946 9.136 -7.615 1.00 0.00 H new ATOM 128 N LYS A 10 138.317 7.331 -6.539 1.00 0.00 N ATOM 129 CA LYS A 10 138.126 6.232 -7.448 1.00 0.00 C ATOM 130 C LYS A 10 136.749 5.584 -7.194 1.00 0.00 C ATOM 131 O LYS A 10 136.154 4.973 -8.080 1.00 0.00 O ATOM 132 CB LYS A 10 139.241 5.211 -7.279 1.00 0.00 C ATOM 133 CG LYS A 10 139.567 4.445 -8.545 1.00 0.00 C ATOM 134 CD LYS A 10 140.295 5.330 -9.555 1.00 0.00 C ATOM 135 CE LYS A 10 141.682 5.723 -9.044 1.00 0.00 C ATOM 136 NZ LYS A 10 142.465 6.465 -10.054 1.00 0.00 N ATOM 0 H LYS A 10 139.015 7.164 -5.814 1.00 0.00 H new ATOM 0 HA LYS A 10 138.156 6.602 -8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 10 140.140 5.722 -6.933 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.958 4.503 -6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 10 140.186 3.582 -8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 10 138.648 4.063 -8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 10 140.390 4.802 -10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 10 139.707 6.228 -9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 10 141.576 6.335 -8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 10 142.227 4.825 -8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 143.396 6.709 -9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 142.590 5.873 -10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 141.960 7.336 -10.313 1.00 0.00 H new ATOM 150 N TRP A 11 136.237 5.759 -5.975 1.00 0.00 N ATOM 151 CA TRP A 11 134.901 5.286 -5.609 1.00 0.00 C ATOM 152 C TRP A 11 133.858 6.141 -6.291 1.00 0.00 C ATOM 153 O TRP A 11 132.730 5.711 -6.502 1.00 0.00 O ATOM 154 CB TRP A 11 134.659 5.386 -4.095 1.00 0.00 C ATOM 155 CG TRP A 11 135.553 4.565 -3.238 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.426 3.597 -3.626 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.619 4.622 -1.823 1.00 0.00 C ATOM 158 NE1 TRP A 11 137.051 3.067 -2.535 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.558 3.675 -1.411 1.00 0.00 C ATOM 160 CE3 TRP A 11 134.969 5.399 -0.858 1.00 0.00 C ATOM 161 CZ2 TRP A 11 136.857 3.473 -0.081 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.267 5.190 0.470 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.199 4.235 0.845 1.00 0.00 C ATOM 0 H TRP A 11 136.733 6.229 -5.218 1.00 0.00 H new ATOM 0 HA TRP A 11 134.830 4.244 -5.919 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.762 6.430 -3.799 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.628 5.097 -3.892 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.599 3.293 -4.648 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.766 2.340 -2.553 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.248 6.148 -1.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.587 2.737 0.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 134.769 5.777 1.228 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.411 4.089 1.894 1.00 0.00 H new ATOM 174 N GLY A 12 134.275 7.338 -6.684 1.00 0.00 N ATOM 175 CA GLY A 12 133.390 8.329 -7.258 1.00 0.00 C ATOM 176 C GLY A 12 132.997 8.041 -8.685 1.00 0.00 C ATOM 177 O GLY A 12 132.288 8.843 -9.309 1.00 0.00 O ATOM 0 H GLY A 12 135.245 7.645 -6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 12 132.488 8.394 -6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.875 9.304 -7.214 1.00 0.00 H new ATOM 181 N GLU A 13 133.470 6.937 -9.220 1.00 0.00 N ATOM 182 CA GLU A 13 133.063 6.515 -10.538 1.00 0.00 C ATOM 183 C GLU A 13 132.595 5.059 -10.537 1.00 0.00 C ATOM 184 O GLU A 13 132.107 4.564 -11.540 1.00 0.00 O ATOM 185 CB GLU A 13 134.173 6.737 -11.570 1.00 0.00 C ATOM 186 CG GLU A 13 135.482 6.036 -11.260 1.00 0.00 C ATOM 187 CD GLU A 13 136.484 6.210 -12.364 1.00 0.00 C ATOM 188 OE1 GLU A 13 136.489 5.392 -13.300 1.00 0.00 O ATOM 189 OE2 GLU A 13 137.275 7.164 -12.328 1.00 0.00 O ATOM 0 H GLU A 13 134.137 6.317 -8.761 1.00 0.00 H new ATOM 0 HA GLU A 13 132.216 7.137 -10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 13 133.818 6.398 -12.543 1.00 0.00 H new ATOM 0 HB3 GLU A 13 134.362 7.807 -11.655 1.00 0.00 H new ATOM 0 HG2 GLU A 13 135.894 6.430 -10.331 1.00 0.00 H new ATOM 0 HG3 GLU A 13 135.297 4.974 -11.102 1.00 0.00 H new ATOM 196 N SER A 14 132.731 4.382 -9.403 1.00 0.00 N ATOM 197 CA SER A 14 132.342 2.988 -9.310 1.00 0.00 C ATOM 198 C SER A 14 131.786 2.649 -7.923 1.00 0.00 C ATOM 199 O SER A 14 132.553 2.419 -6.973 1.00 0.00 O ATOM 200 CB SER A 14 133.536 2.072 -9.642 1.00 0.00 C ATOM 201 OG SER A 14 134.022 2.312 -10.961 1.00 0.00 O ATOM 0 H SER A 14 133.106 4.777 -8.541 1.00 0.00 H new ATOM 0 HA SER A 14 131.550 2.818 -10.039 1.00 0.00 H new ATOM 0 HB2 SER A 14 134.336 2.239 -8.921 1.00 0.00 H new ATOM 0 HB3 SER A 14 133.234 1.029 -9.548 1.00 0.00 H new ATOM 0 HG SER A 14 134.780 1.718 -11.143 1.00 0.00 H new ATOM 207 N PHE A 15 130.463 2.641 -7.804 1.00 0.00 N ATOM 208 CA PHE A 15 129.789 2.275 -6.556 1.00 0.00 C ATOM 209 C PHE A 15 130.168 0.861 -6.124 1.00 0.00 C ATOM 210 O PHE A 15 130.320 0.596 -4.941 1.00 0.00 O ATOM 211 CB PHE A 15 128.256 2.415 -6.696 1.00 0.00 C ATOM 212 CG PHE A 15 127.456 1.967 -5.484 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.687 2.508 -4.228 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.464 1.015 -5.613 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.946 2.102 -3.133 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.724 0.612 -4.523 1.00 0.00 C ATOM 217 CZ PHE A 15 125.968 1.159 -3.287 1.00 0.00 C ATOM 0 H PHE A 15 129.827 2.886 -8.563 1.00 0.00 H new ATOM 0 HA PHE A 15 130.122 2.964 -5.780 1.00 0.00 H new ATOM 0 HB2 PHE A 15 128.019 3.459 -6.903 1.00 0.00 H new ATOM 0 HB3 PHE A 15 127.931 1.837 -7.561 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.456 3.256 -4.103 1.00 0.00 H new ATOM 0 HD2 PHE A 15 126.266 0.580 -6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 15 127.139 2.528 -2.160 1.00 0.00 H new ATOM 0 HE2 PHE A 15 124.952 -0.134 -4.640 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.386 0.843 -2.434 1.00 0.00 H new ATOM 227 N ASP A 16 130.362 -0.028 -7.087 1.00 0.00 N ATOM 228 CA ASP A 16 130.735 -1.416 -6.784 1.00 0.00 C ATOM 229 C ASP A 16 132.109 -1.473 -6.108 1.00 0.00 C ATOM 230 O ASP A 16 132.334 -2.300 -5.233 1.00 0.00 O ATOM 231 CB ASP A 16 130.729 -2.309 -8.042 1.00 0.00 C ATOM 232 CG ASP A 16 131.962 -2.159 -8.909 1.00 0.00 C ATOM 233 OD1 ASP A 16 132.131 -1.110 -9.560 1.00 0.00 O ATOM 234 OD2 ASP A 16 132.791 -3.097 -8.948 1.00 0.00 O ATOM 0 H ASP A 16 130.270 0.178 -8.082 1.00 0.00 H new ATOM 0 HA ASP A 16 129.981 -1.804 -6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 16 130.638 -3.351 -7.735 1.00 0.00 H new ATOM 0 HB3 ASP A 16 129.847 -2.074 -8.638 1.00 0.00 H new ATOM 239 N LYS A 17 133.004 -0.562 -6.486 1.00 0.00 N ATOM 240 CA LYS A 17 134.336 -0.499 -5.891 1.00 0.00 C ATOM 241 C LYS A 17 134.230 -0.033 -4.459 1.00 0.00 C ATOM 242 O LYS A 17 134.828 -0.615 -3.548 1.00 0.00 O ATOM 243 CB LYS A 17 135.251 0.440 -6.686 1.00 0.00 C ATOM 244 CG LYS A 17 136.528 0.778 -5.954 1.00 0.00 C ATOM 245 CD LYS A 17 137.449 1.654 -6.762 1.00 0.00 C ATOM 246 CE LYS A 17 138.622 2.101 -5.914 1.00 0.00 C ATOM 247 NZ LYS A 17 139.422 0.980 -5.381 1.00 0.00 N ATOM 0 H LYS A 17 132.830 0.143 -7.202 1.00 0.00 H new ATOM 0 HA LYS A 17 134.774 -1.497 -5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 17 135.498 -0.024 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 17 134.712 1.361 -6.909 1.00 0.00 H new ATOM 0 HG2 LYS A 17 136.283 1.281 -5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 17 137.047 -0.144 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 17 137.808 1.109 -7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 17 136.905 2.524 -7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 17 139.267 2.746 -6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 17 138.252 2.701 -5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 139.361 0.973 -4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 139.054 0.082 -5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 140.415 1.094 -5.669 1.00 0.00 H new ATOM 261 N LEU A 18 133.441 1.000 -4.285 1.00 0.00 N ATOM 262 CA LEU A 18 133.136 1.585 -2.999 1.00 0.00 C ATOM 263 C LEU A 18 132.604 0.513 -2.072 1.00 0.00 C ATOM 264 O LEU A 18 133.101 0.303 -0.969 1.00 0.00 O ATOM 265 CB LEU A 18 132.052 2.646 -3.237 1.00 0.00 C ATOM 266 CG LEU A 18 131.270 3.151 -2.031 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.158 3.876 -1.074 1.00 0.00 C ATOM 268 CD2 LEU A 18 130.155 4.042 -2.486 1.00 0.00 C ATOM 0 H LEU A 18 132.977 1.473 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 18 134.023 2.027 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.524 3.505 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 18 131.337 2.239 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 18 130.852 2.290 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.570 4.224 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.941 3.203 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.612 4.731 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.599 4.400 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.567 4.892 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.486 3.483 -3.140 1.00 0.00 H new ATOM 280 N LEU A 19 131.653 -0.192 -2.585 1.00 0.00 N ATOM 281 CA LEU A 19 130.925 -1.181 -1.875 1.00 0.00 C ATOM 282 C LEU A 19 131.806 -2.384 -1.518 1.00 0.00 C ATOM 283 O LEU A 19 131.625 -3.001 -0.475 1.00 0.00 O ATOM 284 CB LEU A 19 129.770 -1.593 -2.755 1.00 0.00 C ATOM 285 CG LEU A 19 128.524 -2.049 -2.061 1.00 0.00 C ATOM 286 CD1 LEU A 19 128.037 -0.942 -1.114 1.00 0.00 C ATOM 287 CD2 LEU A 19 127.472 -2.354 -3.114 1.00 0.00 C ATOM 0 H LEU A 19 131.351 -0.088 -3.554 1.00 0.00 H new ATOM 0 HA LEU A 19 130.566 -0.780 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 19 129.513 -0.750 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 19 130.110 -2.397 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 19 128.717 -2.946 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.130 -1.270 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 19 128.809 -0.730 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 19 127.826 -0.039 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.556 -2.688 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 19 127.267 -1.455 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 19 127.837 -3.138 -3.777 1.00 0.00 H new ATOM 299 N SER A 20 132.776 -2.683 -2.361 1.00 0.00 N ATOM 300 CA SER A 20 133.662 -3.813 -2.135 1.00 0.00 C ATOM 301 C SER A 20 134.807 -3.456 -1.176 1.00 0.00 C ATOM 302 O SER A 20 135.517 -4.338 -0.686 1.00 0.00 O ATOM 303 CB SER A 20 134.211 -4.325 -3.460 1.00 0.00 C ATOM 304 OG SER A 20 133.148 -4.682 -4.337 1.00 0.00 O ATOM 0 H SER A 20 132.972 -2.157 -3.213 1.00 0.00 H new ATOM 0 HA SER A 20 133.079 -4.604 -1.664 1.00 0.00 H new ATOM 0 HB2 SER A 20 134.831 -3.558 -3.924 1.00 0.00 H new ATOM 0 HB3 SER A 20 134.852 -5.189 -3.285 1.00 0.00 H new ATOM 0 HG SER A 20 132.869 -3.895 -4.850 1.00 0.00 H new ATOM 310 N HIS A 21 134.979 -2.180 -0.901 1.00 0.00 N ATOM 311 CA HIS A 21 136.021 -1.743 0.002 1.00 0.00 C ATOM 312 C HIS A 21 135.451 -1.860 1.411 1.00 0.00 C ATOM 313 O HIS A 21 134.261 -1.588 1.614 1.00 0.00 O ATOM 314 CB HIS A 21 136.424 -0.282 -0.313 1.00 0.00 C ATOM 315 CG HIS A 21 137.904 -0.011 -0.197 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.477 0.843 0.720 1.00 0.00 N ATOM 317 CD2 HIS A 21 138.927 -0.479 -0.935 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.774 0.875 0.536 1.00 0.00 C ATOM 319 NE2 HIS A 21 140.069 0.081 -0.458 1.00 0.00 N ATOM 0 H HIS A 21 134.410 -1.428 -1.290 1.00 0.00 H new ATOM 0 HA HIS A 21 136.919 -2.352 -0.102 1.00 0.00 H new ATOM 0 HB2 HIS A 21 136.099 -0.037 -1.324 1.00 0.00 H new ATOM 0 HB3 HIS A 21 135.890 0.385 0.364 1.00 0.00 H new ATOM 0 HD1 HIS A 21 137.970 1.369 1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 21 138.854 -1.174 -1.758 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.479 1.459 1.109 1.00 0.00 H new ATOM 328 N ARG A 22 136.253 -2.279 2.372 1.00 0.00 N ATOM 329 CA ARG A 22 135.765 -2.470 3.749 1.00 0.00 C ATOM 330 C ARG A 22 135.357 -1.137 4.329 1.00 0.00 C ATOM 331 O ARG A 22 134.254 -0.964 4.800 1.00 0.00 O ATOM 332 CB ARG A 22 136.824 -3.126 4.640 1.00 0.00 C ATOM 333 CG ARG A 22 137.272 -4.496 4.177 1.00 0.00 C ATOM 334 CD ARG A 22 138.305 -5.078 5.121 1.00 0.00 C ATOM 335 NE ARG A 22 138.792 -6.386 4.673 1.00 0.00 N ATOM 336 CZ ARG A 22 139.503 -7.247 5.421 1.00 0.00 C ATOM 337 NH1 ARG A 22 139.791 -6.969 6.687 1.00 0.00 N ATOM 338 NH2 ARG A 22 139.919 -8.391 4.898 1.00 0.00 N ATOM 0 H ARG A 22 137.241 -2.496 2.239 1.00 0.00 H new ATOM 0 HA ARG A 22 134.904 -3.138 3.713 1.00 0.00 H new ATOM 0 HB2 ARG A 22 137.694 -2.471 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 22 136.428 -3.210 5.652 1.00 0.00 H new ATOM 0 HG2 ARG A 22 136.412 -5.163 4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 22 137.691 -4.426 3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 22 139.146 -4.389 5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 22 137.871 -5.175 6.116 1.00 0.00 H new ATOM 0 HE ARG A 22 138.574 -6.665 3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 22 139.472 -6.094 7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 22 140.331 -7.631 7.244 1.00 0.00 H new ATOM 0 HH21 ARG A 22 139.700 -8.618 3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 22 140.459 -9.045 5.465 1.00 0.00 H new ATOM 352 N ASP A 23 136.236 -0.182 4.221 1.00 0.00 N ATOM 353 CA ASP A 23 135.960 1.184 4.686 1.00 0.00 C ATOM 354 C ASP A 23 135.049 1.928 3.716 1.00 0.00 C ATOM 355 O ASP A 23 134.581 3.024 4.004 1.00 0.00 O ATOM 356 CB ASP A 23 137.253 1.976 4.926 1.00 0.00 C ATOM 357 CG ASP A 23 138.211 1.887 3.780 1.00 0.00 C ATOM 358 OD1 ASP A 23 137.928 2.414 2.722 1.00 0.00 O ATOM 359 OD2 ASP A 23 139.253 1.210 3.920 1.00 0.00 O ATOM 0 H ASP A 23 137.163 -0.307 3.814 1.00 0.00 H new ATOM 0 HA ASP A 23 135.441 1.095 5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 23 137.005 3.022 5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.738 1.605 5.829 1.00 0.00 H new ATOM 364 N GLY A 24 134.758 1.295 2.597 1.00 0.00 N ATOM 365 CA GLY A 24 133.915 1.896 1.604 1.00 0.00 C ATOM 366 C GLY A 24 132.473 1.580 1.832 1.00 0.00 C ATOM 367 O GLY A 24 131.628 2.478 1.820 1.00 0.00 O ATOM 0 H GLY A 24 135.098 0.363 2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 24 134.056 2.977 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 24 134.212 1.545 0.616 1.00 0.00 H new ATOM 371 N LEU A 25 132.164 0.302 2.063 1.00 0.00 N ATOM 372 CA LEU A 25 130.795 -0.071 2.380 1.00 0.00 C ATOM 373 C LEU A 25 130.455 0.536 3.721 1.00 0.00 C ATOM 374 O LEU A 25 129.328 0.888 3.992 1.00 0.00 O ATOM 375 CB LEU A 25 130.567 -1.612 2.345 1.00 0.00 C ATOM 376 CG LEU A 25 130.405 -2.406 3.672 1.00 0.00 C ATOM 377 CD1 LEU A 25 129.891 -3.802 3.369 1.00 0.00 C ATOM 378 CD2 LEU A 25 131.718 -2.524 4.434 1.00 0.00 C ATOM 0 H LEU A 25 132.829 -0.471 2.036 1.00 0.00 H new ATOM 0 HA LEU A 25 130.122 0.319 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 25 129.673 -1.794 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 25 131.406 -2.051 1.805 1.00 0.00 H new ATOM 0 HG LEU A 25 129.698 -1.858 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 25 129.778 -4.358 4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 25 128.926 -3.733 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 25 130.600 -4.318 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 25 131.556 -3.086 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 25 132.452 -3.042 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 25 132.088 -1.528 4.678 1.00 0.00 H new ATOM 390 N GLU A 26 131.495 0.686 4.520 1.00 0.00 N ATOM 391 CA GLU A 26 131.455 1.341 5.780 1.00 0.00 C ATOM 392 C GLU A 26 131.111 2.830 5.579 1.00 0.00 C ATOM 393 O GLU A 26 130.258 3.355 6.272 1.00 0.00 O ATOM 394 CB GLU A 26 132.815 1.136 6.418 1.00 0.00 C ATOM 395 CG GLU A 26 133.061 1.770 7.769 1.00 0.00 C ATOM 396 CD GLU A 26 132.128 1.308 8.857 1.00 0.00 C ATOM 397 OE1 GLU A 26 132.229 0.143 9.300 1.00 0.00 O ATOM 398 OE2 GLU A 26 131.319 2.112 9.331 1.00 0.00 O ATOM 0 H GLU A 26 132.422 0.334 4.283 1.00 0.00 H new ATOM 0 HA GLU A 26 130.684 0.935 6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 26 132.981 0.063 6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 26 133.569 1.514 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 26 134.086 1.559 8.074 1.00 0.00 H new ATOM 0 HG3 GLU A 26 132.974 2.852 7.669 1.00 0.00 H new ATOM 405 N ALA A 27 131.729 3.488 4.582 1.00 0.00 N ATOM 406 CA ALA A 27 131.406 4.895 4.312 1.00 0.00 C ATOM 407 C ALA A 27 129.945 5.015 3.855 1.00 0.00 C ATOM 408 O ALA A 27 129.184 5.871 4.343 1.00 0.00 O ATOM 409 CB ALA A 27 132.348 5.511 3.251 1.00 0.00 C ATOM 0 H ALA A 27 132.434 3.081 3.968 1.00 0.00 H new ATOM 0 HA ALA A 27 131.548 5.453 5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 27 132.074 6.552 3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.378 5.460 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.257 4.956 2.318 1.00 0.00 H new ATOM 415 N PHE A 28 129.542 4.113 2.976 1.00 0.00 N ATOM 416 CA PHE A 28 128.219 4.160 2.402 1.00 0.00 C ATOM 417 C PHE A 28 127.139 3.775 3.416 1.00 0.00 C ATOM 418 O PHE A 28 126.092 4.409 3.459 1.00 0.00 O ATOM 419 CB PHE A 28 128.129 3.297 1.135 1.00 0.00 C ATOM 420 CG PHE A 28 126.844 3.483 0.372 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.664 4.600 -0.428 1.00 0.00 C ATOM 422 CD2 PHE A 28 125.820 2.559 0.461 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.490 4.789 -1.125 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.643 2.744 -0.232 1.00 0.00 C ATOM 425 CZ PHE A 28 124.479 3.861 -1.026 1.00 0.00 C ATOM 0 H PHE A 28 130.119 3.339 2.647 1.00 0.00 H new ATOM 0 HA PHE A 28 128.032 5.195 2.114 1.00 0.00 H new ATOM 0 HB2 PHE A 28 128.968 3.536 0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.229 2.248 1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.454 5.332 -0.506 1.00 0.00 H new ATOM 0 HD2 PHE A 28 125.943 1.683 1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.364 5.663 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.850 2.015 -0.154 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.557 4.007 -1.570 1.00 0.00 H new ATOM 435 N THR A 29 127.398 2.758 4.242 1.00 0.00 N ATOM 436 CA THR A 29 126.422 2.327 5.241 1.00 0.00 C ATOM 437 C THR A 29 126.131 3.463 6.224 1.00 0.00 C ATOM 438 O THR A 29 124.983 3.692 6.584 1.00 0.00 O ATOM 439 CB THR A 29 126.829 0.994 6.002 1.00 0.00 C ATOM 440 OG1 THR A 29 125.745 0.526 6.806 1.00 0.00 O ATOM 441 CG2 THR A 29 128.033 1.183 6.914 1.00 0.00 C ATOM 0 H THR A 29 128.267 2.224 4.238 1.00 0.00 H new ATOM 0 HA THR A 29 125.510 2.081 4.697 1.00 0.00 H new ATOM 0 HB THR A 29 127.084 0.272 5.226 1.00 0.00 H new ATOM 0 HG1 THR A 29 126.011 -0.297 7.267 1.00 0.00 H new ATOM 0 HG21 THR A 29 128.267 0.240 7.408 1.00 0.00 H new ATOM 0 HG22 THR A 29 128.890 1.505 6.323 1.00 0.00 H new ATOM 0 HG23 THR A 29 127.805 1.940 7.665 1.00 0.00 H new ATOM 449 N ARG A 30 127.165 4.229 6.576 1.00 0.00 N ATOM 450 CA ARG A 30 127.007 5.361 7.490 1.00 0.00 C ATOM 451 C ARG A 30 126.066 6.382 6.882 1.00 0.00 C ATOM 452 O ARG A 30 125.139 6.878 7.551 1.00 0.00 O ATOM 453 CB ARG A 30 128.353 6.016 7.810 1.00 0.00 C ATOM 454 CG ARG A 30 129.325 5.097 8.508 1.00 0.00 C ATOM 455 CD ARG A 30 130.668 5.760 8.728 1.00 0.00 C ATOM 456 NE ARG A 30 131.638 4.817 9.279 1.00 0.00 N ATOM 457 CZ ARG A 30 132.850 5.123 9.745 1.00 0.00 C ATOM 458 NH1 ARG A 30 133.300 6.372 9.722 1.00 0.00 N ATOM 459 NH2 ARG A 30 133.603 4.164 10.248 1.00 0.00 N ATOM 0 H ARG A 30 128.118 4.087 6.243 1.00 0.00 H new ATOM 0 HA ARG A 30 126.588 4.986 8.424 1.00 0.00 H new ATOM 0 HB2 ARG A 30 128.804 6.371 6.883 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.181 6.892 8.436 1.00 0.00 H new ATOM 0 HG2 ARG A 30 128.910 4.790 9.468 1.00 0.00 H new ATOM 0 HG3 ARG A 30 129.459 4.192 7.915 1.00 0.00 H new ATOM 0 HD2 ARG A 30 131.039 6.158 7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 30 130.553 6.605 9.406 1.00 0.00 H new ATOM 0 HE ARG A 30 131.364 3.835 9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 30 132.716 7.118 9.343 1.00 0.00 H new ATOM 0 HH12 ARG A 30 134.230 6.586 10.083 1.00 0.00 H new ATOM 0 HH21 ARG A 30 133.256 3.205 10.276 1.00 0.00 H new ATOM 0 HH22 ARG A 30 134.532 4.381 10.608 1.00 0.00 H new ATOM 473 N PHE A 31 126.268 6.654 5.607 1.00 0.00 N ATOM 474 CA PHE A 31 125.421 7.577 4.893 1.00 0.00 C ATOM 475 C PHE A 31 124.009 7.016 4.723 1.00 0.00 C ATOM 476 O PHE A 31 123.024 7.725 4.894 1.00 0.00 O ATOM 477 CB PHE A 31 126.018 7.951 3.537 1.00 0.00 C ATOM 478 CG PHE A 31 125.111 8.836 2.738 1.00 0.00 C ATOM 479 CD1 PHE A 31 124.832 10.120 3.167 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.511 8.375 1.583 1.00 0.00 C ATOM 481 CE1 PHE A 31 123.982 10.928 2.458 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.657 9.176 0.876 1.00 0.00 C ATOM 483 CZ PHE A 31 123.393 10.456 1.313 1.00 0.00 C ATOM 0 H PHE A 31 127.016 6.245 5.047 1.00 0.00 H new ATOM 0 HA PHE A 31 125.356 8.485 5.493 1.00 0.00 H new ATOM 0 HB2 PHE A 31 126.972 8.456 3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 31 126.225 7.043 2.971 1.00 0.00 H new ATOM 0 HD1 PHE A 31 125.290 10.491 4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.718 7.374 1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 31 123.777 11.932 2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 31 123.190 8.805 -0.024 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.721 11.089 0.753 1.00 0.00 H new ATOM 493 N LEU A 32 123.914 5.756 4.431 1.00 0.00 N ATOM 494 CA LEU A 32 122.635 5.128 4.212 1.00 0.00 C ATOM 495 C LEU A 32 121.839 5.099 5.528 1.00 0.00 C ATOM 496 O LEU A 32 120.621 5.101 5.526 1.00 0.00 O ATOM 497 CB LEU A 32 122.848 3.724 3.657 1.00 0.00 C ATOM 498 CG LEU A 32 121.762 3.201 2.733 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.605 4.125 1.539 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.103 1.808 2.259 1.00 0.00 C ATOM 0 H LEU A 32 124.714 5.130 4.336 1.00 0.00 H new ATOM 0 HA LEU A 32 122.058 5.698 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 32 123.795 3.708 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 32 122.947 3.035 4.495 1.00 0.00 H new ATOM 0 HG LEU A 32 120.823 3.166 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.824 3.742 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 32 121.332 5.122 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.546 4.176 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 32 121.316 1.446 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.050 1.829 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 32 122.190 1.143 3.118 1.00 0.00 H new ATOM 512 N LYS A 33 122.544 5.088 6.640 1.00 0.00 N ATOM 513 CA LYS A 33 121.922 5.151 7.950 1.00 0.00 C ATOM 514 C LYS A 33 121.451 6.554 8.287 1.00 0.00 C ATOM 515 O LYS A 33 120.347 6.723 8.785 1.00 0.00 O ATOM 516 CB LYS A 33 122.851 4.619 9.028 1.00 0.00 C ATOM 517 CG LYS A 33 123.049 3.135 8.937 1.00 0.00 C ATOM 518 CD LYS A 33 124.018 2.619 9.962 1.00 0.00 C ATOM 519 CE LYS A 33 124.031 1.110 9.932 1.00 0.00 C ATOM 520 NZ LYS A 33 122.727 0.540 10.367 1.00 0.00 N ATOM 0 H LYS A 33 123.562 5.035 6.664 1.00 0.00 H new ATOM 0 HA LYS A 33 121.041 4.510 7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 33 123.818 5.116 8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 33 122.445 4.868 10.008 1.00 0.00 H new ATOM 0 HG2 LYS A 33 122.089 2.635 9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 33 123.410 2.880 7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 33 125.017 3.005 9.760 1.00 0.00 H new ATOM 0 HD3 LYS A 33 123.735 2.971 10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 33 124.259 0.768 8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 33 124.825 0.740 10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 122.732 -0.490 10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 122.577 0.746 11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 121.959 0.964 9.809 1.00 0.00 H new ATOM 534 N THR A 34 122.266 7.559 7.993 1.00 0.00 N ATOM 535 CA THR A 34 121.891 8.938 8.289 1.00 0.00 C ATOM 536 C THR A 34 120.736 9.377 7.373 1.00 0.00 C ATOM 537 O THR A 34 119.852 10.125 7.778 1.00 0.00 O ATOM 538 CB THR A 34 123.110 9.924 8.178 1.00 0.00 C ATOM 539 OG1 THR A 34 122.744 11.257 8.577 1.00 0.00 O ATOM 540 CG2 THR A 34 123.673 9.959 6.769 1.00 0.00 C ATOM 0 H THR A 34 123.181 7.449 7.555 1.00 0.00 H new ATOM 0 HA THR A 34 121.555 8.976 9.325 1.00 0.00 H new ATOM 0 HB THR A 34 123.878 9.549 8.854 1.00 0.00 H new ATOM 0 HG1 THR A 34 123.522 11.847 8.499 1.00 0.00 H new ATOM 0 HG21 THR A 34 124.514 10.651 6.730 1.00 0.00 H new ATOM 0 HG22 THR A 34 124.011 8.962 6.487 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.899 10.289 6.076 1.00 0.00 H new ATOM 548 N GLU A 35 120.745 8.876 6.153 1.00 0.00 N ATOM 549 CA GLU A 35 119.709 9.147 5.192 1.00 0.00 C ATOM 550 C GLU A 35 118.451 8.302 5.499 1.00 0.00 C ATOM 551 O GLU A 35 117.319 8.682 5.138 1.00 0.00 O ATOM 552 CB GLU A 35 120.258 8.873 3.776 1.00 0.00 C ATOM 553 CG GLU A 35 119.184 8.784 2.707 1.00 0.00 C ATOM 554 CD GLU A 35 119.666 8.461 1.318 1.00 0.00 C ATOM 555 OE1 GLU A 35 120.302 9.306 0.680 1.00 0.00 O ATOM 556 OE2 GLU A 35 119.330 7.361 0.817 1.00 0.00 O ATOM 0 H GLU A 35 121.482 8.264 5.804 1.00 0.00 H new ATOM 0 HA GLU A 35 119.408 10.193 5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 35 120.958 9.665 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 35 120.822 7.940 3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 35 118.462 8.024 3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 35 118.651 9.734 2.674 1.00 0.00 H new ATOM 563 N PHE A 36 118.668 7.200 6.215 1.00 0.00 N ATOM 564 CA PHE A 36 117.639 6.224 6.579 1.00 0.00 C ATOM 565 C PHE A 36 117.145 5.434 5.377 1.00 0.00 C ATOM 566 O PHE A 36 115.988 5.532 4.966 1.00 0.00 O ATOM 567 CB PHE A 36 116.476 6.818 7.388 1.00 0.00 C ATOM 568 CG PHE A 36 116.843 7.284 8.766 1.00 0.00 C ATOM 569 CD1 PHE A 36 117.277 8.578 8.987 1.00 0.00 C ATOM 570 CD2 PHE A 36 116.740 6.424 9.845 1.00 0.00 C ATOM 571 CE1 PHE A 36 117.605 9.007 10.257 1.00 0.00 C ATOM 572 CE2 PHE A 36 117.064 6.845 11.118 1.00 0.00 C ATOM 573 CZ PHE A 36 117.498 8.139 11.325 1.00 0.00 C ATOM 0 H PHE A 36 119.592 6.953 6.569 1.00 0.00 H new ATOM 0 HA PHE A 36 118.136 5.524 7.251 1.00 0.00 H new ATOM 0 HB2 PHE A 36 116.059 7.659 6.834 1.00 0.00 H new ATOM 0 HB3 PHE A 36 115.689 6.069 7.471 1.00 0.00 H new ATOM 0 HD1 PHE A 36 117.360 9.262 8.155 1.00 0.00 H new ATOM 0 HD2 PHE A 36 116.402 5.410 9.689 1.00 0.00 H new ATOM 0 HE1 PHE A 36 117.945 10.020 10.415 1.00 0.00 H new ATOM 0 HE2 PHE A 36 116.978 6.163 11.951 1.00 0.00 H new ATOM 0 HZ PHE A 36 117.753 8.472 12.320 1.00 0.00 H new ATOM 583 N SER A 37 118.061 4.717 4.786 1.00 0.00 N ATOM 584 CA SER A 37 117.799 3.826 3.674 1.00 0.00 C ATOM 585 C SER A 37 118.661 2.572 3.883 1.00 0.00 C ATOM 586 O SER A 37 118.888 1.776 2.962 1.00 0.00 O ATOM 587 CB SER A 37 118.211 4.511 2.365 1.00 0.00 C ATOM 588 OG SER A 37 117.660 5.817 2.248 1.00 0.00 O ATOM 0 H SER A 37 119.041 4.732 5.068 1.00 0.00 H new ATOM 0 HA SER A 37 116.741 3.569 3.622 1.00 0.00 H new ATOM 0 HB2 SER A 37 119.298 4.571 2.314 1.00 0.00 H new ATOM 0 HB3 SER A 37 117.885 3.904 1.520 1.00 0.00 H new ATOM 0 HG SER A 37 118.227 6.360 1.662 1.00 0.00 H new ATOM 594 N GLU A 38 119.104 2.395 5.143 1.00 0.00 N ATOM 595 CA GLU A 38 120.038 1.335 5.566 1.00 0.00 C ATOM 596 C GLU A 38 119.542 -0.072 5.248 1.00 0.00 C ATOM 597 O GLU A 38 120.341 -1.012 5.203 1.00 0.00 O ATOM 598 CB GLU A 38 120.333 1.442 7.054 1.00 0.00 C ATOM 599 CG GLU A 38 119.089 1.521 7.917 1.00 0.00 C ATOM 600 CD GLU A 38 119.376 1.303 9.370 1.00 0.00 C ATOM 601 OE1 GLU A 38 120.385 1.808 9.875 1.00 0.00 O ATOM 602 OE2 GLU A 38 118.617 0.571 10.023 1.00 0.00 O ATOM 0 H GLU A 38 118.815 2.999 5.912 1.00 0.00 H new ATOM 0 HA GLU A 38 120.950 1.494 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 38 120.924 0.579 7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 38 120.945 2.327 7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 38 118.623 2.498 7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 38 118.369 0.776 7.578 1.00 0.00 H new ATOM 609 N GLU A 39 118.234 -0.200 5.037 1.00 0.00 N ATOM 610 CA GLU A 39 117.591 -1.451 4.650 1.00 0.00 C ATOM 611 C GLU A 39 118.341 -2.130 3.514 1.00 0.00 C ATOM 612 O GLU A 39 118.610 -3.318 3.575 1.00 0.00 O ATOM 613 CB GLU A 39 116.091 -1.167 4.321 1.00 0.00 C ATOM 614 CG GLU A 39 115.324 -2.199 3.482 1.00 0.00 C ATOM 615 CD GLU A 39 115.444 -1.963 1.969 1.00 0.00 C ATOM 616 OE1 GLU A 39 114.703 -1.089 1.417 1.00 0.00 O ATOM 617 OE2 GLU A 39 116.248 -2.622 1.313 1.00 0.00 O ATOM 0 H GLU A 39 117.581 0.577 5.132 1.00 0.00 H new ATOM 0 HA GLU A 39 117.623 -2.160 5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 39 115.560 -1.045 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 39 116.040 -0.211 3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 39 115.695 -3.196 3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 39 114.271 -2.176 3.764 1.00 0.00 H new ATOM 624 N ASN A 40 118.761 -1.338 2.551 1.00 0.00 N ATOM 625 CA ASN A 40 119.445 -1.848 1.376 1.00 0.00 C ATOM 626 C ASN A 40 120.809 -2.474 1.726 1.00 0.00 C ATOM 627 O ASN A 40 121.124 -3.661 1.361 1.00 0.00 O ATOM 628 CB ASN A 40 119.682 -0.731 0.348 1.00 0.00 C ATOM 629 CG ASN A 40 118.437 -0.035 -0.215 1.00 0.00 C ATOM 630 OD1 ASN A 40 118.509 1.116 -0.640 1.00 0.00 O ATOM 631 ND2 ASN A 40 117.306 -0.667 -0.189 1.00 0.00 N ATOM 0 H ASN A 40 118.640 -0.325 2.558 1.00 0.00 H new ATOM 0 HA ASN A 40 118.795 -2.616 0.956 1.00 0.00 H new ATOM 0 HB2 ASN A 40 120.316 0.027 0.809 1.00 0.00 H new ATOM 0 HB3 ASN A 40 120.243 -1.151 -0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 40 116.458 -0.210 -0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 40 117.263 -1.622 0.167 1.00 0.00 H new ATOM 638 N ILE A 41 121.607 -1.708 2.454 1.00 0.00 N ATOM 639 CA ILE A 41 122.966 -2.098 2.755 1.00 0.00 C ATOM 640 C ILE A 41 122.939 -3.363 3.630 1.00 0.00 C ATOM 641 O ILE A 41 123.647 -4.317 3.363 1.00 0.00 O ATOM 642 CB ILE A 41 123.787 -0.908 3.424 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.300 -1.013 3.155 1.00 0.00 C ATOM 644 CG2 ILE A 41 123.535 -0.774 4.921 1.00 0.00 C ATOM 645 CD1 ILE A 41 125.682 -0.819 1.710 1.00 0.00 C ATOM 0 H ILE A 41 121.330 -0.808 2.847 1.00 0.00 H new ATOM 0 HA ILE A 41 123.491 -2.329 1.828 1.00 0.00 H new ATOM 0 HB ILE A 41 123.412 -0.005 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 41 125.818 -0.269 3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.650 -1.991 3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 41 124.123 0.054 5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 41 122.476 -0.583 5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 41 123.825 -1.697 5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 41 126.763 -0.908 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 41 125.194 -1.579 1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 41 125.365 0.170 1.380 1.00 0.00 H new ATOM 657 N GLU A 42 122.003 -3.397 4.586 1.00 0.00 N ATOM 658 CA GLU A 42 121.863 -4.509 5.508 1.00 0.00 C ATOM 659 C GLU A 42 121.146 -5.683 4.879 1.00 0.00 C ATOM 660 O GLU A 42 121.200 -6.805 5.405 1.00 0.00 O ATOM 661 CB GLU A 42 121.189 -4.054 6.791 1.00 0.00 C ATOM 662 CG GLU A 42 122.090 -3.166 7.629 1.00 0.00 C ATOM 663 CD GLU A 42 121.371 -2.447 8.754 1.00 0.00 C ATOM 664 OE1 GLU A 42 120.134 -2.278 8.693 1.00 0.00 O ATOM 665 OE2 GLU A 42 122.034 -2.035 9.739 1.00 0.00 O ATOM 0 H GLU A 42 121.325 -2.649 4.735 1.00 0.00 H new ATOM 0 HA GLU A 42 122.863 -4.862 5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 42 120.275 -3.513 6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 42 120.897 -4.927 7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 42 122.890 -3.773 8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 42 122.560 -2.427 6.980 1.00 0.00 H new ATOM 672 N PHE A 43 120.491 -5.432 3.758 1.00 0.00 N ATOM 673 CA PHE A 43 119.828 -6.469 3.005 1.00 0.00 C ATOM 674 C PHE A 43 120.842 -7.442 2.493 1.00 0.00 C ATOM 675 O PHE A 43 120.835 -8.626 2.866 1.00 0.00 O ATOM 676 CB PHE A 43 119.046 -5.899 1.828 1.00 0.00 C ATOM 677 CG PHE A 43 118.399 -6.949 0.980 1.00 0.00 C ATOM 678 CD1 PHE A 43 117.193 -7.451 1.334 1.00 0.00 C ATOM 679 CD2 PHE A 43 119.013 -7.431 -0.169 1.00 0.00 C ATOM 680 CE1 PHE A 43 116.576 -8.403 0.587 1.00 0.00 C ATOM 681 CE2 PHE A 43 118.403 -8.393 -0.931 1.00 0.00 C ATOM 682 CZ PHE A 43 117.177 -8.881 -0.552 1.00 0.00 C ATOM 0 H PHE A 43 120.407 -4.501 3.349 1.00 0.00 H new ATOM 0 HA PHE A 43 119.125 -6.967 3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.279 -5.223 2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.718 -5.305 1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.711 -7.087 2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 43 119.978 -7.045 -0.464 1.00 0.00 H new ATOM 0 HE1 PHE A 43 115.612 -8.785 0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.884 -8.765 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.687 -9.638 -1.147 1.00 0.00 H new ATOM 692 N TRP A 44 121.750 -6.978 1.647 1.00 0.00 N ATOM 693 CA TRP A 44 122.718 -7.933 1.145 1.00 0.00 C ATOM 694 C TRP A 44 123.810 -8.232 2.135 1.00 0.00 C ATOM 695 O TRP A 44 124.524 -9.209 2.008 1.00 0.00 O ATOM 696 CB TRP A 44 123.207 -7.709 -0.285 1.00 0.00 C ATOM 697 CG TRP A 44 123.721 -6.362 -0.616 1.00 0.00 C ATOM 698 CD1 TRP A 44 123.190 -5.509 -1.527 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.867 -5.709 -0.065 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.939 -4.382 -1.602 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.966 -4.472 -0.691 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.817 -6.053 0.904 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.968 -3.581 -0.386 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.811 -5.163 1.207 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.880 -3.940 0.567 1.00 0.00 C ATOM 0 H TRP A 44 121.836 -6.018 1.314 1.00 0.00 H new ATOM 0 HA TRP A 44 122.144 -8.854 1.041 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.996 -8.432 -0.490 1.00 0.00 H new ATOM 0 HB3 TRP A 44 122.384 -7.934 -0.963 1.00 0.00 H new ATOM 0 HD1 TRP A 44 122.300 -5.700 -2.108 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.769 -3.597 -2.230 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.766 -7.008 1.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 126.033 -2.625 -0.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.549 -5.419 1.953 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.672 -3.253 0.825 1.00 0.00 H new ATOM 716 N ILE A 45 123.907 -7.401 3.143 1.00 0.00 N ATOM 717 CA ILE A 45 124.774 -7.655 4.264 1.00 0.00 C ATOM 718 C ILE A 45 124.282 -8.912 5.006 1.00 0.00 C ATOM 719 O ILE A 45 125.075 -9.715 5.515 1.00 0.00 O ATOM 720 CB ILE A 45 124.874 -6.367 5.147 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.183 -5.622 4.826 1.00 0.00 C ATOM 722 CG2 ILE A 45 124.650 -6.571 6.648 1.00 0.00 C ATOM 723 CD1 ILE A 45 126.316 -4.267 5.480 1.00 0.00 C ATOM 0 H ILE A 45 123.385 -6.527 3.208 1.00 0.00 H new ATOM 0 HA ILE A 45 125.794 -7.873 3.946 1.00 0.00 H new ATOM 0 HB ILE A 45 124.026 -5.740 4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.024 -6.243 5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 45 126.259 -5.498 3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 45 124.742 -5.615 7.163 1.00 0.00 H new ATOM 0 HG22 ILE A 45 123.653 -6.978 6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 45 125.395 -7.265 7.036 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.268 -3.818 5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 45 125.500 -3.623 5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 45 126.277 -4.380 6.563 1.00 0.00 H new ATOM 735 N ALA A 46 122.966 -9.114 4.989 1.00 0.00 N ATOM 736 CA ALA A 46 122.373 -10.324 5.518 1.00 0.00 C ATOM 737 C ALA A 46 122.619 -11.465 4.546 1.00 0.00 C ATOM 738 O ALA A 46 122.888 -12.585 4.955 1.00 0.00 O ATOM 739 CB ALA A 46 120.876 -10.156 5.719 1.00 0.00 C ATOM 0 H ALA A 46 122.293 -8.447 4.611 1.00 0.00 H new ATOM 0 HA ALA A 46 122.830 -10.540 6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.456 -11.080 6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 46 120.692 -9.342 6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.404 -9.925 4.764 1.00 0.00 H new ATOM 745 N CYS A 47 122.545 -11.159 3.259 1.00 0.00 N ATOM 746 CA CYS A 47 122.725 -12.147 2.196 1.00 0.00 C ATOM 747 C CYS A 47 124.158 -12.694 2.169 1.00 0.00 C ATOM 748 O CYS A 47 124.367 -13.878 1.962 1.00 0.00 O ATOM 749 CB CYS A 47 122.338 -11.551 0.846 1.00 0.00 C ATOM 750 SG CYS A 47 120.650 -10.895 0.804 1.00 0.00 S ATOM 0 H CYS A 47 122.358 -10.216 2.917 1.00 0.00 H new ATOM 0 HA CYS A 47 122.064 -12.988 2.404 1.00 0.00 H new ATOM 0 HB2 CYS A 47 123.036 -10.752 0.597 1.00 0.00 H new ATOM 0 HB3 CYS A 47 122.441 -12.316 0.077 1.00 0.00 H new ATOM 0 HG CYS A 47 120.554 -9.891 1.625 1.00 0.00 H new ATOM 756 N GLU A 48 125.133 -11.841 2.415 1.00 0.00 N ATOM 757 CA GLU A 48 126.516 -12.282 2.488 1.00 0.00 C ATOM 758 C GLU A 48 126.750 -13.110 3.739 1.00 0.00 C ATOM 759 O GLU A 48 127.475 -14.099 3.700 1.00 0.00 O ATOM 760 CB GLU A 48 127.476 -11.107 2.390 1.00 0.00 C ATOM 761 CG GLU A 48 127.484 -10.461 1.015 1.00 0.00 C ATOM 762 CD GLU A 48 128.138 -11.336 -0.039 1.00 0.00 C ATOM 763 OE1 GLU A 48 127.589 -12.403 -0.409 1.00 0.00 O ATOM 764 OE2 GLU A 48 129.223 -10.963 -0.532 1.00 0.00 O ATOM 0 H GLU A 48 124.996 -10.842 2.568 1.00 0.00 H new ATOM 0 HA GLU A 48 126.717 -12.924 1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 48 127.204 -10.359 3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 48 128.483 -11.446 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 48 126.459 -10.242 0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 48 128.011 -9.508 1.069 1.00 0.00 H new ATOM 771 N ASP A 49 126.099 -12.727 4.836 1.00 0.00 N ATOM 772 CA ASP A 49 126.128 -13.524 6.083 1.00 0.00 C ATOM 773 C ASP A 49 125.461 -14.881 5.846 1.00 0.00 C ATOM 774 O ASP A 49 125.812 -15.903 6.452 1.00 0.00 O ATOM 775 CB ASP A 49 125.406 -12.772 7.215 1.00 0.00 C ATOM 776 CG ASP A 49 125.190 -13.613 8.464 1.00 0.00 C ATOM 777 OD1 ASP A 49 126.133 -13.795 9.264 1.00 0.00 O ATOM 778 OD2 ASP A 49 124.055 -14.102 8.681 1.00 0.00 O ATOM 0 H ASP A 49 125.544 -11.874 4.897 1.00 0.00 H new ATOM 0 HA ASP A 49 127.166 -13.682 6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 49 125.985 -11.887 7.479 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.440 -12.424 6.850 1.00 0.00 H new ATOM 783 N PHE A 50 124.523 -14.871 4.954 1.00 0.00 N ATOM 784 CA PHE A 50 123.776 -16.033 4.555 1.00 0.00 C ATOM 785 C PHE A 50 124.628 -16.960 3.678 1.00 0.00 C ATOM 786 O PHE A 50 124.831 -18.118 4.026 1.00 0.00 O ATOM 787 CB PHE A 50 122.494 -15.565 3.845 1.00 0.00 C ATOM 788 CG PHE A 50 121.719 -16.610 3.125 1.00 0.00 C ATOM 789 CD1 PHE A 50 120.881 -17.450 3.804 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.831 -16.739 1.749 1.00 0.00 C ATOM 791 CE1 PHE A 50 120.165 -18.409 3.136 1.00 0.00 C ATOM 792 CE2 PHE A 50 121.118 -17.692 1.075 1.00 0.00 C ATOM 793 CZ PHE A 50 120.282 -18.531 1.770 1.00 0.00 C ATOM 0 H PHE A 50 124.241 -14.023 4.461 1.00 0.00 H new ATOM 0 HA PHE A 50 123.497 -16.621 5.429 1.00 0.00 H new ATOM 0 HB2 PHE A 50 121.841 -15.105 4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.763 -14.787 3.131 1.00 0.00 H new ATOM 0 HD1 PHE A 50 120.782 -17.357 4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 50 122.489 -16.079 1.203 1.00 0.00 H new ATOM 0 HE1 PHE A 50 119.508 -19.070 3.682 1.00 0.00 H new ATOM 0 HE2 PHE A 50 121.212 -17.784 0.003 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.716 -19.286 1.245 1.00 0.00 H new ATOM 803 N LYS A 51 125.162 -16.410 2.581 1.00 0.00 N ATOM 804 CA LYS A 51 125.988 -17.150 1.603 1.00 0.00 C ATOM 805 C LYS A 51 127.241 -17.710 2.285 1.00 0.00 C ATOM 806 O LYS A 51 127.806 -18.715 1.866 1.00 0.00 O ATOM 807 CB LYS A 51 126.341 -16.198 0.406 1.00 0.00 C ATOM 808 CG LYS A 51 126.998 -16.865 -0.821 1.00 0.00 C ATOM 809 CD LYS A 51 128.507 -17.111 -0.681 1.00 0.00 C ATOM 810 CE LYS A 51 129.373 -15.929 -1.150 1.00 0.00 C ATOM 811 NZ LYS A 51 129.173 -14.664 -0.399 1.00 0.00 N ATOM 0 H LYS A 51 125.035 -15.427 2.339 1.00 0.00 H new ATOM 0 HA LYS A 51 125.433 -18.001 1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 51 125.426 -15.704 0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 51 127.010 -15.419 0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 51 126.503 -17.818 -1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 51 126.825 -16.238 -1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 51 128.736 -17.326 0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 51 128.776 -17.997 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 51 130.422 -16.215 -1.076 1.00 0.00 H new ATOM 0 HE3 LYS A 51 129.167 -15.744 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 129.997 -14.045 -0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 128.318 -14.185 -0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 129.063 -14.875 0.613 1.00 0.00 H new ATOM 825 N LYS A 52 127.633 -17.042 3.348 1.00 0.00 N ATOM 826 CA LYS A 52 128.749 -17.411 4.204 1.00 0.00 C ATOM 827 C LYS A 52 128.561 -18.827 4.767 1.00 0.00 C ATOM 828 O LYS A 52 129.529 -19.558 4.987 1.00 0.00 O ATOM 829 CB LYS A 52 128.777 -16.415 5.345 1.00 0.00 C ATOM 830 CG LYS A 52 129.852 -16.596 6.378 1.00 0.00 C ATOM 831 CD LYS A 52 129.588 -15.640 7.511 1.00 0.00 C ATOM 832 CE LYS A 52 130.615 -15.730 8.599 1.00 0.00 C ATOM 833 NZ LYS A 52 131.946 -15.265 8.154 1.00 0.00 N ATOM 0 H LYS A 52 127.165 -16.190 3.656 1.00 0.00 H new ATOM 0 HA LYS A 52 129.680 -17.399 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 52 128.879 -15.416 4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 52 127.812 -16.450 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 52 129.859 -17.623 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 52 130.833 -16.406 5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 52 129.565 -14.622 7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 52 128.603 -15.844 7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 52 130.291 -15.134 9.452 1.00 0.00 H new ATOM 0 HE3 LYS A 52 130.689 -16.762 8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 132.597 -15.250 8.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 132.314 -15.911 7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 131.864 -14.307 7.757 1.00 0.00 H new ATOM 847 N SER A 53 127.325 -19.204 4.984 1.00 0.00 N ATOM 848 CA SER A 53 127.014 -20.494 5.511 1.00 0.00 C ATOM 849 C SER A 53 126.895 -21.474 4.360 1.00 0.00 C ATOM 850 O SER A 53 126.410 -21.122 3.305 1.00 0.00 O ATOM 851 CB SER A 53 125.722 -20.414 6.310 1.00 0.00 C ATOM 852 OG SER A 53 125.861 -19.449 7.354 1.00 0.00 O ATOM 0 H SER A 53 126.511 -18.619 4.797 1.00 0.00 H new ATOM 0 HA SER A 53 127.802 -20.838 6.180 1.00 0.00 H new ATOM 0 HB2 SER A 53 124.895 -20.139 5.656 1.00 0.00 H new ATOM 0 HB3 SER A 53 125.484 -21.390 6.733 1.00 0.00 H new ATOM 0 HG SER A 53 125.027 -19.398 7.866 1.00 0.00 H new ATOM 858 N LYS A 54 127.355 -22.678 4.555 1.00 0.00 N ATOM 859 CA LYS A 54 127.335 -23.644 3.478 1.00 0.00 C ATOM 860 C LYS A 54 126.468 -24.833 3.835 1.00 0.00 C ATOM 861 O LYS A 54 126.238 -25.731 3.006 1.00 0.00 O ATOM 862 CB LYS A 54 128.760 -24.100 3.088 1.00 0.00 C ATOM 863 CG LYS A 54 129.470 -25.086 4.034 1.00 0.00 C ATOM 864 CD LYS A 54 129.763 -24.530 5.417 1.00 0.00 C ATOM 865 CE LYS A 54 130.587 -25.529 6.200 1.00 0.00 C ATOM 866 NZ LYS A 54 130.997 -25.046 7.533 1.00 0.00 N ATOM 0 H LYS A 54 127.745 -23.017 5.435 1.00 0.00 H new ATOM 0 HA LYS A 54 126.901 -23.151 2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 54 128.709 -24.558 2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 54 129.385 -23.212 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 54 128.853 -25.979 4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 54 130.408 -25.399 3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 54 130.300 -23.585 5.334 1.00 0.00 H new ATOM 0 HD3 LYS A 54 128.831 -24.321 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 54 130.012 -26.448 6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 54 131.478 -25.781 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 131.557 -25.780 8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 131.572 -24.186 7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 130.152 -24.831 8.100 1.00 0.00 H new ATOM 880 N GLY A 55 125.978 -24.830 5.055 1.00 0.00 N ATOM 881 CA GLY A 55 125.155 -25.906 5.533 1.00 0.00 C ATOM 882 C GLY A 55 123.776 -25.766 4.963 1.00 0.00 C ATOM 883 O GLY A 55 123.101 -24.791 5.267 1.00 0.00 O ATOM 0 H GLY A 55 126.140 -24.086 5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 55 125.585 -26.865 5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 55 125.114 -25.892 6.622 1.00 0.00 H new ATOM 887 N PRO A 56 123.323 -26.713 4.130 1.00 0.00 N ATOM 888 CA PRO A 56 122.060 -26.587 3.413 1.00 0.00 C ATOM 889 C PRO A 56 120.837 -26.440 4.329 1.00 0.00 C ATOM 890 O PRO A 56 119.909 -25.698 3.996 1.00 0.00 O ATOM 891 CB PRO A 56 121.976 -27.841 2.542 1.00 0.00 C ATOM 892 CG PRO A 56 123.361 -28.400 2.531 1.00 0.00 C ATOM 893 CD PRO A 56 123.994 -27.986 3.826 1.00 0.00 C ATOM 0 HA PRO A 56 122.043 -25.669 2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 56 121.265 -28.558 2.951 1.00 0.00 H new ATOM 0 HB3 PRO A 56 121.640 -27.599 1.534 1.00 0.00 H new ATOM 0 HG2 PRO A 56 123.341 -29.486 2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 56 123.928 -28.018 1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 56 123.831 -28.726 4.610 1.00 0.00 H new ATOM 0 HD3 PRO A 56 125.072 -27.860 3.726 1.00 0.00 H new ATOM 901 N GLN A 57 120.837 -27.105 5.484 1.00 0.00 N ATOM 902 CA GLN A 57 119.727 -26.956 6.426 1.00 0.00 C ATOM 903 C GLN A 57 119.714 -25.534 6.932 1.00 0.00 C ATOM 904 O GLN A 57 118.667 -24.879 6.942 1.00 0.00 O ATOM 905 CB GLN A 57 119.845 -27.910 7.614 1.00 0.00 C ATOM 906 CG GLN A 57 118.634 -27.889 8.527 1.00 0.00 C ATOM 907 CD GLN A 57 118.733 -28.887 9.655 1.00 0.00 C ATOM 908 OE1 GLN A 57 118.299 -30.032 9.527 1.00 0.00 O ATOM 909 NE2 GLN A 57 119.296 -28.480 10.756 1.00 0.00 N ATOM 0 H GLN A 57 121.576 -27.739 5.786 1.00 0.00 H new ATOM 0 HA GLN A 57 118.802 -27.197 5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 57 119.993 -28.924 7.243 1.00 0.00 H new ATOM 0 HB3 GLN A 57 120.731 -27.650 8.193 1.00 0.00 H new ATOM 0 HG2 GLN A 57 118.516 -26.888 8.943 1.00 0.00 H new ATOM 0 HG3 GLN A 57 117.739 -28.098 7.941 1.00 0.00 H new ATOM 0 HE21 GLN A 57 119.645 -27.524 10.827 1.00 0.00 H new ATOM 0 HE22 GLN A 57 119.389 -29.117 11.547 1.00 0.00 H new ATOM 918 N GLN A 58 120.905 -25.051 7.284 1.00 0.00 N ATOM 919 CA GLN A 58 121.109 -23.704 7.786 1.00 0.00 C ATOM 920 C GLN A 58 120.638 -22.686 6.746 1.00 0.00 C ATOM 921 O GLN A 58 120.096 -21.639 7.100 1.00 0.00 O ATOM 922 CB GLN A 58 122.594 -23.491 8.150 1.00 0.00 C ATOM 923 CG GLN A 58 122.918 -22.155 8.818 1.00 0.00 C ATOM 924 CD GLN A 58 122.247 -21.964 10.181 1.00 0.00 C ATOM 925 OE1 GLN A 58 121.930 -20.844 10.576 1.00 0.00 O ATOM 926 NE2 GLN A 58 122.064 -23.029 10.919 1.00 0.00 N ATOM 0 H GLN A 58 121.764 -25.597 7.225 1.00 0.00 H new ATOM 0 HA GLN A 58 120.520 -23.561 8.692 1.00 0.00 H new ATOM 0 HB2 GLN A 58 122.907 -24.296 8.815 1.00 0.00 H new ATOM 0 HB3 GLN A 58 123.190 -23.578 7.241 1.00 0.00 H new ATOM 0 HG2 GLN A 58 123.998 -22.074 8.941 1.00 0.00 H new ATOM 0 HG3 GLN A 58 122.611 -21.345 8.156 1.00 0.00 H new ATOM 0 HE21 GLN A 58 122.336 -23.947 10.567 1.00 0.00 H new ATOM 0 HE22 GLN A 58 121.649 -22.941 11.847 1.00 0.00 H new ATOM 935 N ILE A 59 120.824 -23.023 5.468 1.00 0.00 N ATOM 936 CA ILE A 59 120.360 -22.197 4.354 1.00 0.00 C ATOM 937 C ILE A 59 118.849 -21.994 4.462 1.00 0.00 C ATOM 938 O ILE A 59 118.367 -20.876 4.418 1.00 0.00 O ATOM 939 CB ILE A 59 120.654 -22.852 2.968 1.00 0.00 C ATOM 940 CG1 ILE A 59 122.135 -23.234 2.810 1.00 0.00 C ATOM 941 CG2 ILE A 59 120.188 -21.968 1.822 1.00 0.00 C ATOM 942 CD1 ILE A 59 123.130 -22.131 3.062 1.00 0.00 C ATOM 0 H ILE A 59 121.301 -23.877 5.177 1.00 0.00 H new ATOM 0 HA ILE A 59 120.897 -21.250 4.416 1.00 0.00 H new ATOM 0 HB ILE A 59 120.078 -23.777 2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 59 122.353 -24.056 3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 59 122.287 -23.610 1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 59 120.409 -22.456 0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 59 119.114 -21.803 1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.707 -21.010 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 59 124.141 -22.514 2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.952 -21.313 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 59 123.018 -21.767 4.083 1.00 0.00 H new ATOM 954 N HIS A 60 118.117 -23.100 4.650 1.00 0.00 N ATOM 955 CA HIS A 60 116.636 -23.064 4.760 1.00 0.00 C ATOM 956 C HIS A 60 116.198 -22.157 5.874 1.00 0.00 C ATOM 957 O HIS A 60 115.239 -21.404 5.736 1.00 0.00 O ATOM 958 CB HIS A 60 116.022 -24.454 5.018 1.00 0.00 C ATOM 959 CG HIS A 60 116.102 -25.421 3.890 1.00 0.00 C ATOM 960 ND1 HIS A 60 117.087 -26.226 3.504 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 115.063 -25.658 3.031 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 116.645 -26.933 2.426 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 115.414 -26.571 2.159 1.00 0.00 N flip ATOM 0 H HIS A 60 118.517 -24.035 4.730 1.00 0.00 H new ATOM 0 HA HIS A 60 116.282 -22.693 3.798 1.00 0.00 H new ATOM 0 HB2 HIS A 60 116.518 -24.894 5.883 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.973 -24.322 5.284 1.00 0.00 H new ATOM 0 HD1 HIS A 60 118.008 -26.301 3.937 1.00 0.00 H new ATOM 0 HD2 HIS A 60 114.101 -25.168 3.066 1.00 0.00 H new ATOM 0 HE1 HIS A 60 117.216 -27.671 1.881 1.00 0.00 H new ATOM 972 N LEU A 61 116.901 -22.245 6.965 1.00 0.00 N ATOM 973 CA LEU A 61 116.604 -21.494 8.166 1.00 0.00 C ATOM 974 C LEU A 61 116.854 -20.015 7.925 1.00 0.00 C ATOM 975 O LEU A 61 115.932 -19.195 7.979 1.00 0.00 O ATOM 976 CB LEU A 61 117.526 -21.983 9.264 1.00 0.00 C ATOM 977 CG LEU A 61 117.599 -23.492 9.424 1.00 0.00 C ATOM 978 CD1 LEU A 61 118.734 -23.858 10.329 1.00 0.00 C ATOM 979 CD2 LEU A 61 116.289 -24.054 9.936 1.00 0.00 C ATOM 0 H LEU A 61 117.716 -22.852 7.054 1.00 0.00 H new ATOM 0 HA LEU A 61 115.560 -21.635 8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 61 118.530 -21.606 9.068 1.00 0.00 H new ATOM 0 HB3 LEU A 61 117.201 -21.549 10.209 1.00 0.00 H new ATOM 0 HG LEU A 61 117.780 -23.934 8.444 1.00 0.00 H new ATOM 0 HD11 LEU A 61 118.778 -24.942 10.437 1.00 0.00 H new ATOM 0 HD12 LEU A 61 119.670 -23.498 9.903 1.00 0.00 H new ATOM 0 HD13 LEU A 61 118.581 -23.401 11.307 1.00 0.00 H new ATOM 0 HD21 LEU A 61 116.373 -25.136 10.040 1.00 0.00 H new ATOM 0 HD22 LEU A 61 116.058 -23.613 10.906 1.00 0.00 H new ATOM 0 HD23 LEU A 61 115.492 -23.818 9.231 1.00 0.00 H new ATOM 991 N LYS A 62 118.102 -19.698 7.620 1.00 0.00 N ATOM 992 CA LYS A 62 118.534 -18.309 7.381 1.00 0.00 C ATOM 993 C LYS A 62 117.757 -17.628 6.247 1.00 0.00 C ATOM 994 O LYS A 62 117.403 -16.455 6.360 1.00 0.00 O ATOM 995 CB LYS A 62 120.042 -18.224 7.116 1.00 0.00 C ATOM 996 CG LYS A 62 120.897 -18.715 8.272 1.00 0.00 C ATOM 997 CD LYS A 62 122.395 -18.608 7.978 1.00 0.00 C ATOM 998 CE LYS A 62 122.891 -17.164 7.904 1.00 0.00 C ATOM 999 NZ LYS A 62 122.677 -16.421 9.170 1.00 0.00 N ATOM 0 H LYS A 62 118.850 -20.385 7.529 1.00 0.00 H new ATOM 0 HA LYS A 62 118.309 -17.767 8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.279 -18.809 6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 62 120.305 -17.189 6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.663 -18.136 9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 62 120.646 -19.753 8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 62 122.950 -19.137 8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 62 122.610 -19.108 7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 62 123.953 -17.161 7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 62 122.377 -16.648 7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.332 -15.614 9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 121.697 -16.074 9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 122.852 -17.053 9.977 1.00 0.00 H new ATOM 1013 N ALA A 63 117.475 -18.361 5.173 1.00 0.00 N ATOM 1014 CA ALA A 63 116.738 -17.796 4.040 1.00 0.00 C ATOM 1015 C ALA A 63 115.333 -17.449 4.438 1.00 0.00 C ATOM 1016 O ALA A 63 114.852 -16.372 4.142 1.00 0.00 O ATOM 1017 CB ALA A 63 116.699 -18.750 2.864 1.00 0.00 C ATOM 0 H ALA A 63 117.742 -19.339 5.061 1.00 0.00 H new ATOM 0 HA ALA A 63 117.267 -16.892 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 63 116.144 -18.294 2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.716 -18.966 2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 63 116.209 -19.677 3.163 1.00 0.00 H new ATOM 1023 N LYS A 64 114.685 -18.364 5.130 1.00 0.00 N ATOM 1024 CA LYS A 64 113.313 -18.171 5.566 1.00 0.00 C ATOM 1025 C LYS A 64 113.235 -17.001 6.550 1.00 0.00 C ATOM 1026 O LYS A 64 112.234 -16.261 6.586 1.00 0.00 O ATOM 1027 CB LYS A 64 112.772 -19.470 6.178 1.00 0.00 C ATOM 1028 CG LYS A 64 111.283 -19.482 6.499 1.00 0.00 C ATOM 1029 CD LYS A 64 110.445 -19.081 5.289 1.00 0.00 C ATOM 1030 CE LYS A 64 108.977 -19.453 5.454 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.408 -19.024 6.753 1.00 0.00 N ATOM 0 H LYS A 64 115.090 -19.259 5.406 1.00 0.00 H new ATOM 0 HA LYS A 64 112.687 -17.922 4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 64 112.983 -20.289 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 64 113.324 -19.675 7.095 1.00 0.00 H new ATOM 0 HG2 LYS A 64 110.990 -20.478 6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 64 111.082 -18.798 7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 64 110.530 -18.006 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.843 -19.566 4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 64 108.402 -19.001 4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 64 108.870 -20.533 5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.373 -19.119 6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.792 -19.620 7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.660 -18.031 6.931 1.00 0.00 H new ATOM 1045 N ALA A 65 114.295 -16.821 7.316 1.00 0.00 N ATOM 1046 CA ALA A 65 114.408 -15.706 8.224 1.00 0.00 C ATOM 1047 C ALA A 65 114.470 -14.403 7.431 1.00 0.00 C ATOM 1048 O ALA A 65 113.579 -13.572 7.540 1.00 0.00 O ATOM 1049 CB ALA A 65 115.634 -15.862 9.105 1.00 0.00 C ATOM 0 H ALA A 65 115.100 -17.447 7.323 1.00 0.00 H new ATOM 0 HA ALA A 65 113.531 -15.681 8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 65 115.704 -15.012 9.784 1.00 0.00 H new ATOM 0 HB2 ALA A 65 115.552 -16.783 9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.527 -15.903 8.482 1.00 0.00 H new ATOM 1055 N ILE A 66 115.482 -14.286 6.560 1.00 0.00 N ATOM 1056 CA ILE A 66 115.703 -13.087 5.727 1.00 0.00 C ATOM 1057 C ILE A 66 114.483 -12.801 4.838 1.00 0.00 C ATOM 1058 O ILE A 66 114.141 -11.656 4.575 1.00 0.00 O ATOM 1059 CB ILE A 66 116.988 -13.239 4.855 1.00 0.00 C ATOM 1060 CG1 ILE A 66 118.218 -13.418 5.758 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.171 -12.052 3.905 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.529 -13.573 5.016 1.00 0.00 C ATOM 0 H ILE A 66 116.174 -15.020 6.410 1.00 0.00 H new ATOM 0 HA ILE A 66 115.844 -12.240 6.398 1.00 0.00 H new ATOM 0 HB ILE A 66 116.874 -14.129 4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.292 -12.558 6.423 1.00 0.00 H new ATOM 0 HG13 ILE A 66 118.066 -14.295 6.387 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.076 -12.194 3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.311 -11.983 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.256 -11.132 4.484 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.341 -13.694 5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.481 -14.451 4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.710 -12.686 4.409 1.00 0.00 H new ATOM 1074 N TYR A 67 113.831 -13.851 4.410 1.00 0.00 N ATOM 1075 CA TYR A 67 112.619 -13.761 3.630 1.00 0.00 C ATOM 1076 C TYR A 67 111.565 -12.920 4.354 1.00 0.00 C ATOM 1077 O TYR A 67 111.166 -11.871 3.873 1.00 0.00 O ATOM 1078 CB TYR A 67 112.080 -15.166 3.374 1.00 0.00 C ATOM 1079 CG TYR A 67 110.794 -15.190 2.624 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.741 -14.749 1.328 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.631 -15.645 3.218 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.574 -14.754 0.626 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.448 -15.662 2.532 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.416 -15.219 1.238 1.00 0.00 C ATOM 1085 OH TYR A 67 107.232 -15.242 0.551 1.00 0.00 O ATOM 0 H TYR A 67 114.130 -14.808 4.595 1.00 0.00 H new ATOM 0 HA TYR A 67 112.846 -13.275 2.681 1.00 0.00 H new ATOM 0 HB2 TYR A 67 112.825 -15.735 2.817 1.00 0.00 H new ATOM 0 HB3 TYR A 67 111.942 -15.672 4.330 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.643 -14.390 0.854 1.00 0.00 H new ATOM 0 HD2 TYR A 67 109.657 -15.993 4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.549 -14.401 -0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.547 -16.022 3.007 1.00 0.00 H new ATOM 0 HH TYR A 67 106.525 -15.598 1.129 1.00 0.00 H new ATOM 1095 N GLU A 68 111.184 -13.342 5.534 1.00 0.00 N ATOM 1096 CA GLU A 68 110.133 -12.662 6.275 1.00 0.00 C ATOM 1097 C GLU A 68 110.640 -11.416 6.987 1.00 0.00 C ATOM 1098 O GLU A 68 109.861 -10.607 7.488 1.00 0.00 O ATOM 1099 CB GLU A 68 109.475 -13.612 7.245 1.00 0.00 C ATOM 1100 CG GLU A 68 108.761 -14.760 6.562 1.00 0.00 C ATOM 1101 CD GLU A 68 108.129 -15.701 7.529 1.00 0.00 C ATOM 1102 OE1 GLU A 68 106.982 -15.477 7.926 1.00 0.00 O ATOM 1103 OE2 GLU A 68 108.773 -16.686 7.927 1.00 0.00 O ATOM 0 H GLU A 68 111.582 -14.153 6.008 1.00 0.00 H new ATOM 0 HA GLU A 68 109.389 -12.327 5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 68 110.231 -14.013 7.921 1.00 0.00 H new ATOM 0 HB3 GLU A 68 108.761 -13.060 7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 68 107.996 -14.362 5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 68 109.471 -15.306 5.941 1.00 0.00 H new ATOM 1110 N LYS A 69 111.920 -11.278 7.024 1.00 0.00 N ATOM 1111 CA LYS A 69 112.561 -10.154 7.651 1.00 0.00 C ATOM 1112 C LYS A 69 112.717 -8.993 6.661 1.00 0.00 C ATOM 1113 O LYS A 69 112.611 -7.837 7.045 1.00 0.00 O ATOM 1114 CB LYS A 69 113.944 -10.591 8.128 1.00 0.00 C ATOM 1115 CG LYS A 69 114.701 -9.592 8.971 1.00 0.00 C ATOM 1116 CD LYS A 69 114.082 -9.430 10.333 1.00 0.00 C ATOM 1117 CE LYS A 69 114.965 -8.573 11.206 1.00 0.00 C ATOM 1118 NZ LYS A 69 114.489 -8.494 12.595 1.00 0.00 N ATOM 0 H LYS A 69 112.570 -11.950 6.615 1.00 0.00 H new ATOM 0 HA LYS A 69 111.950 -9.816 8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.834 -11.511 8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.549 -10.831 7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 69 115.736 -9.917 9.078 1.00 0.00 H new ATOM 0 HG3 LYS A 69 114.720 -8.628 8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 69 113.096 -8.974 10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 69 113.939 -10.407 10.795 1.00 0.00 H new ATOM 0 HE2 LYS A 69 115.978 -8.975 11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 69 115.017 -7.568 10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 115.133 -7.893 13.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 113.533 -8.085 12.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 114.464 -9.448 13.008 1.00 0.00 H new ATOM 1132 N PHE A 70 112.884 -9.319 5.388 1.00 0.00 N ATOM 1133 CA PHE A 70 113.269 -8.339 4.374 1.00 0.00 C ATOM 1134 C PHE A 70 112.400 -8.441 3.139 1.00 0.00 C ATOM 1135 O PHE A 70 111.780 -7.468 2.713 1.00 0.00 O ATOM 1136 CB PHE A 70 114.728 -8.575 3.920 1.00 0.00 C ATOM 1137 CG PHE A 70 115.819 -8.199 4.878 1.00 0.00 C ATOM 1138 CD1 PHE A 70 116.371 -6.931 4.845 1.00 0.00 C ATOM 1139 CD2 PHE A 70 116.324 -9.116 5.772 1.00 0.00 C ATOM 1140 CE1 PHE A 70 117.400 -6.587 5.689 1.00 0.00 C ATOM 1141 CE2 PHE A 70 117.349 -8.774 6.624 1.00 0.00 C ATOM 1142 CZ PHE A 70 117.889 -7.508 6.581 1.00 0.00 C ATOM 0 H PHE A 70 112.758 -10.264 5.026 1.00 0.00 H new ATOM 0 HA PHE A 70 113.152 -7.357 4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.839 -9.633 3.681 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.887 -8.021 2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 70 115.988 -6.201 4.147 1.00 0.00 H new ATOM 0 HD2 PHE A 70 115.912 -10.114 5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 70 117.823 -5.594 5.650 1.00 0.00 H new ATOM 0 HE2 PHE A 70 117.730 -9.499 7.327 1.00 0.00 H new ATOM 0 HZ PHE A 70 118.695 -7.241 7.248 1.00 0.00 H new ATOM 1152 N ILE A 71 112.358 -9.644 2.571 1.00 0.00 N ATOM 1153 CA ILE A 71 111.678 -9.910 1.294 1.00 0.00 C ATOM 1154 C ILE A 71 110.183 -9.649 1.419 1.00 0.00 C ATOM 1155 O ILE A 71 109.485 -9.375 0.424 1.00 0.00 O ATOM 1156 CB ILE A 71 111.962 -11.380 0.815 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.467 -11.570 0.641 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.228 -11.765 -0.482 1.00 0.00 C ATOM 1159 CD1 ILE A 71 114.107 -10.561 -0.298 1.00 0.00 C ATOM 0 H ILE A 71 112.795 -10.469 2.981 1.00 0.00 H new ATOM 0 HA ILE A 71 112.074 -9.229 0.540 1.00 0.00 H new ATOM 0 HB ILE A 71 111.573 -12.044 1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 71 113.948 -11.501 1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 71 113.656 -12.575 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.474 -12.793 -0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.152 -11.677 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.537 -11.098 -1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.176 -10.759 -0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.654 -10.645 -1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 71 113.951 -9.554 0.089 1.00 0.00 H new ATOM 1171 N GLN A 72 109.706 -9.718 2.637 1.00 0.00 N ATOM 1172 CA GLN A 72 108.335 -9.413 2.919 1.00 0.00 C ATOM 1173 C GLN A 72 108.049 -7.961 2.732 1.00 0.00 C ATOM 1174 O GLN A 72 108.839 -7.093 3.085 1.00 0.00 O ATOM 1175 CB GLN A 72 107.949 -9.853 4.297 1.00 0.00 C ATOM 1176 CG GLN A 72 107.715 -11.303 4.384 1.00 0.00 C ATOM 1177 CD GLN A 72 106.395 -11.713 3.811 1.00 0.00 C ATOM 1178 OE1 GLN A 72 106.285 -12.022 2.630 1.00 0.00 O ATOM 1179 NE2 GLN A 72 105.385 -11.696 4.620 1.00 0.00 N ATOM 0 H GLN A 72 110.257 -9.986 3.453 1.00 0.00 H new ATOM 0 HA GLN A 72 107.729 -9.970 2.205 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.736 -9.573 4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 72 107.047 -9.324 4.604 1.00 0.00 H new ATOM 0 HG2 GLN A 72 108.513 -11.827 3.858 1.00 0.00 H new ATOM 0 HG3 GLN A 72 107.765 -11.612 5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 72 105.518 -11.433 5.596 1.00 0.00 H new ATOM 0 HE22 GLN A 72 104.456 -11.946 4.281 1.00 0.00 H new ATOM 1188 N THR A 73 106.921 -7.717 2.209 1.00 0.00 N ATOM 1189 CA THR A 73 106.489 -6.382 1.916 1.00 0.00 C ATOM 1190 C THR A 73 106.072 -5.664 3.208 1.00 0.00 C ATOM 1191 O THR A 73 106.404 -4.496 3.438 1.00 0.00 O ATOM 1192 CB THR A 73 105.337 -6.416 0.901 1.00 0.00 C ATOM 1193 OG1 THR A 73 105.794 -7.047 -0.322 1.00 0.00 O ATOM 1194 CG2 THR A 73 104.844 -5.023 0.606 1.00 0.00 C ATOM 0 H THR A 73 106.245 -8.439 1.960 1.00 0.00 H new ATOM 0 HA THR A 73 107.315 -5.825 1.475 1.00 0.00 H new ATOM 0 HB THR A 73 104.511 -6.988 1.324 1.00 0.00 H new ATOM 0 HG1 THR A 73 105.060 -7.072 -0.971 1.00 0.00 H new ATOM 0 HG21 THR A 73 104.028 -5.071 -0.115 1.00 0.00 H new ATOM 0 HG22 THR A 73 104.488 -4.561 1.527 1.00 0.00 H new ATOM 0 HG23 THR A 73 105.659 -4.428 0.193 1.00 0.00 H new ATOM 1202 N ASP A 74 105.390 -6.379 4.059 1.00 0.00 N ATOM 1203 CA ASP A 74 104.964 -5.849 5.347 1.00 0.00 C ATOM 1204 C ASP A 74 105.908 -6.303 6.445 1.00 0.00 C ATOM 1205 O ASP A 74 105.518 -6.437 7.611 1.00 0.00 O ATOM 1206 CB ASP A 74 103.522 -6.262 5.672 1.00 0.00 C ATOM 1207 CG ASP A 74 102.508 -5.615 4.763 1.00 0.00 C ATOM 1208 OD1 ASP A 74 102.214 -4.405 4.934 1.00 0.00 O ATOM 1209 OD2 ASP A 74 101.983 -6.301 3.860 1.00 0.00 O ATOM 0 H ASP A 74 105.109 -7.345 3.890 1.00 0.00 H new ATOM 0 HA ASP A 74 104.993 -4.761 5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 74 103.433 -7.346 5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 74 103.298 -5.997 6.705 1.00 0.00 H new ATOM 1214 N ALA A 75 107.161 -6.495 6.075 1.00 0.00 N ATOM 1215 CA ALA A 75 108.201 -6.923 6.995 1.00 0.00 C ATOM 1216 C ALA A 75 108.658 -5.752 7.864 1.00 0.00 C ATOM 1217 O ALA A 75 108.378 -4.594 7.547 1.00 0.00 O ATOM 1218 CB ALA A 75 109.385 -7.462 6.210 1.00 0.00 C ATOM 0 H ALA A 75 107.489 -6.357 5.119 1.00 0.00 H new ATOM 0 HA ALA A 75 107.799 -7.705 7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 75 110.164 -7.783 6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 75 109.065 -8.310 5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 75 109.777 -6.680 5.559 1.00 0.00 H new ATOM 1224 N PRO A 76 109.369 -6.030 8.976 1.00 0.00 N ATOM 1225 CA PRO A 76 109.902 -4.976 9.849 1.00 0.00 C ATOM 1226 C PRO A 76 111.081 -4.251 9.195 1.00 0.00 C ATOM 1227 O PRO A 76 111.468 -3.144 9.602 1.00 0.00 O ATOM 1228 CB PRO A 76 110.385 -5.751 11.077 1.00 0.00 C ATOM 1229 CG PRO A 76 110.681 -7.121 10.571 1.00 0.00 C ATOM 1230 CD PRO A 76 109.679 -7.386 9.495 1.00 0.00 C ATOM 0 HA PRO A 76 109.162 -4.208 10.073 1.00 0.00 H new ATOM 0 HB2 PRO A 76 111.272 -5.290 11.512 1.00 0.00 H new ATOM 0 HB3 PRO A 76 109.623 -5.773 11.856 1.00 0.00 H new ATOM 0 HG2 PRO A 76 111.697 -7.182 10.182 1.00 0.00 H new ATOM 0 HG3 PRO A 76 110.600 -7.858 11.370 1.00 0.00 H new ATOM 0 HD2 PRO A 76 110.086 -8.031 8.717 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.790 -7.880 9.886 1.00 0.00 H new ATOM 1238 N LYS A 77 111.644 -4.883 8.197 1.00 0.00 N ATOM 1239 CA LYS A 77 112.760 -4.367 7.465 1.00 0.00 C ATOM 1240 C LYS A 77 112.415 -4.537 5.983 1.00 0.00 C ATOM 1241 O LYS A 77 113.127 -5.186 5.228 1.00 0.00 O ATOM 1242 CB LYS A 77 114.010 -5.178 7.843 1.00 0.00 C ATOM 1243 CG LYS A 77 115.334 -4.573 7.429 1.00 0.00 C ATOM 1244 CD LYS A 77 115.659 -3.338 8.231 1.00 0.00 C ATOM 1245 CE LYS A 77 117.054 -2.839 7.914 1.00 0.00 C ATOM 1246 NZ LYS A 77 117.445 -1.721 8.787 1.00 0.00 N ATOM 0 H LYS A 77 111.326 -5.794 7.867 1.00 0.00 H new ATOM 0 HA LYS A 77 112.962 -3.319 7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 77 114.017 -5.317 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 77 113.928 -6.168 7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 77 116.127 -5.310 7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 77 115.303 -4.321 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 77 114.931 -2.556 8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 77 115.581 -3.560 9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 77 117.767 -3.656 8.028 1.00 0.00 H new ATOM 0 HE3 LYS A 77 117.098 -2.520 6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 118.478 -1.606 8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 116.991 -0.846 8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 117.143 -1.920 9.762 1.00 0.00 H new ATOM 1260 N GLU A 78 111.274 -3.970 5.616 1.00 0.00 N ATOM 1261 CA GLU A 78 110.721 -4.075 4.274 1.00 0.00 C ATOM 1262 C GLU A 78 111.669 -3.535 3.203 1.00 0.00 C ATOM 1263 O GLU A 78 112.061 -2.352 3.220 1.00 0.00 O ATOM 1264 CB GLU A 78 109.329 -3.403 4.166 1.00 0.00 C ATOM 1265 CG GLU A 78 109.258 -1.892 4.476 1.00 0.00 C ATOM 1266 CD GLU A 78 109.403 -1.538 5.941 1.00 0.00 C ATOM 1267 OE1 GLU A 78 108.387 -1.573 6.656 1.00 0.00 O ATOM 1268 OE2 GLU A 78 110.520 -1.175 6.386 1.00 0.00 O ATOM 0 H GLU A 78 110.699 -3.417 6.251 1.00 0.00 H new ATOM 0 HA GLU A 78 110.595 -5.141 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 78 108.954 -3.560 3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 78 108.649 -3.921 4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 78 110.041 -1.383 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 78 108.305 -1.506 4.116 1.00 0.00 H new ATOM 1275 N VAL A 79 112.018 -4.389 2.279 1.00 0.00 N ATOM 1276 CA VAL A 79 112.944 -4.040 1.223 1.00 0.00 C ATOM 1277 C VAL A 79 112.225 -3.417 0.049 1.00 0.00 C ATOM 1278 O VAL A 79 111.158 -3.889 -0.368 1.00 0.00 O ATOM 1279 CB VAL A 79 113.722 -5.285 0.731 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.756 -4.937 -0.327 1.00 0.00 C ATOM 1281 CG2 VAL A 79 114.385 -5.949 1.877 1.00 0.00 C ATOM 0 H VAL A 79 111.671 -5.347 2.232 1.00 0.00 H new ATOM 0 HA VAL A 79 113.645 -3.317 1.640 1.00 0.00 H new ATOM 0 HB VAL A 79 112.999 -5.961 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.275 -5.843 -0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 79 114.260 -4.488 -1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 79 115.476 -4.231 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.931 -6.824 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 79 115.080 -5.254 2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 79 113.633 -6.258 2.603 1.00 0.00 H new ATOM 1291 N ASN A 80 112.833 -2.394 -0.509 1.00 0.00 N ATOM 1292 CA ASN A 80 112.347 -1.699 -1.725 1.00 0.00 C ATOM 1293 C ASN A 80 112.687 -2.517 -2.994 1.00 0.00 C ATOM 1294 O ASN A 80 112.890 -1.967 -4.084 1.00 0.00 O ATOM 1295 CB ASN A 80 112.998 -0.311 -1.821 1.00 0.00 C ATOM 1296 CG ASN A 80 112.448 0.701 -0.831 1.00 0.00 C ATOM 1297 OD1 ASN A 80 111.520 1.433 -1.140 1.00 0.00 O ATOM 1298 ND2 ASN A 80 112.976 0.726 0.371 1.00 0.00 N ATOM 0 H ASN A 80 113.697 -1.999 -0.139 1.00 0.00 H new ATOM 0 HA ASN A 80 111.264 -1.594 -1.656 1.00 0.00 H new ATOM 0 HB2 ASN A 80 114.071 -0.413 -1.662 1.00 0.00 H new ATOM 0 HB3 ASN A 80 112.861 0.074 -2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 80 112.612 1.368 1.075 1.00 0.00 H new ATOM 0 HD22 ASN A 80 113.750 0.103 0.601 1.00 0.00 H new ATOM 1305 N LEU A 81 112.680 -3.816 -2.837 1.00 0.00 N ATOM 1306 CA LEU A 81 113.043 -4.774 -3.859 1.00 0.00 C ATOM 1307 C LEU A 81 112.022 -4.806 -4.998 1.00 0.00 C ATOM 1308 O LEU A 81 110.839 -4.523 -4.794 1.00 0.00 O ATOM 1309 CB LEU A 81 113.139 -6.149 -3.201 1.00 0.00 C ATOM 1310 CG LEU A 81 113.567 -7.317 -4.056 1.00 0.00 C ATOM 1311 CD1 LEU A 81 115.014 -7.167 -4.395 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.304 -8.638 -3.335 1.00 0.00 C ATOM 0 H LEU A 81 112.410 -4.257 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 81 113.998 -4.485 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.837 -6.072 -2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 81 112.163 -6.385 -2.778 1.00 0.00 H new ATOM 0 HG LEU A 81 112.985 -7.328 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 81 115.332 -8.007 -5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 81 115.165 -6.236 -4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.603 -7.148 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 81 113.619 -9.467 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 81 113.865 -8.661 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.239 -8.730 -3.121 1.00 0.00 H new ATOM 1324 N ASP A 82 112.502 -5.123 -6.187 1.00 0.00 N ATOM 1325 CA ASP A 82 111.676 -5.286 -7.388 1.00 0.00 C ATOM 1326 C ASP A 82 110.570 -6.322 -7.178 1.00 0.00 C ATOM 1327 O ASP A 82 110.786 -7.362 -6.524 1.00 0.00 O ATOM 1328 CB ASP A 82 112.549 -5.701 -8.575 1.00 0.00 C ATOM 1329 CG ASP A 82 111.758 -5.937 -9.844 1.00 0.00 C ATOM 1330 OD1 ASP A 82 111.446 -4.968 -10.545 1.00 0.00 O ATOM 1331 OD2 ASP A 82 111.454 -7.108 -10.167 1.00 0.00 O ATOM 0 H ASP A 82 113.496 -5.279 -6.357 1.00 0.00 H new ATOM 0 HA ASP A 82 111.205 -4.325 -7.595 1.00 0.00 H new ATOM 0 HB2 ASP A 82 113.294 -4.927 -8.758 1.00 0.00 H new ATOM 0 HB3 ASP A 82 113.091 -6.611 -8.318 1.00 0.00 H new ATOM 1336 N PHE A 83 109.409 -6.030 -7.731 1.00 0.00 N ATOM 1337 CA PHE A 83 108.223 -6.869 -7.622 1.00 0.00 C ATOM 1338 C PHE A 83 108.430 -8.287 -8.169 1.00 0.00 C ATOM 1339 O PHE A 83 107.987 -9.252 -7.559 1.00 0.00 O ATOM 1340 CB PHE A 83 106.999 -6.181 -8.270 1.00 0.00 C ATOM 1341 CG PHE A 83 107.200 -5.724 -9.702 1.00 0.00 C ATOM 1342 CD1 PHE A 83 106.958 -6.581 -10.765 1.00 0.00 C ATOM 1343 CD2 PHE A 83 107.620 -4.431 -9.976 1.00 0.00 C ATOM 1344 CE1 PHE A 83 107.136 -6.161 -12.067 1.00 0.00 C ATOM 1345 CE2 PHE A 83 107.798 -4.006 -11.277 1.00 0.00 C ATOM 1346 CZ PHE A 83 107.556 -4.873 -12.323 1.00 0.00 C ATOM 0 H PHE A 83 109.257 -5.185 -8.282 1.00 0.00 H new ATOM 0 HA PHE A 83 108.026 -6.990 -6.557 1.00 0.00 H new ATOM 0 HB2 PHE A 83 106.156 -6.871 -8.240 1.00 0.00 H new ATOM 0 HB3 PHE A 83 106.725 -5.317 -7.665 1.00 0.00 H new ATOM 0 HD1 PHE A 83 106.626 -7.590 -10.571 1.00 0.00 H new ATOM 0 HD2 PHE A 83 107.810 -3.748 -9.161 1.00 0.00 H new ATOM 0 HE1 PHE A 83 106.947 -6.840 -12.885 1.00 0.00 H new ATOM 0 HE2 PHE A 83 108.126 -2.997 -11.476 1.00 0.00 H new ATOM 0 HZ PHE A 83 107.696 -4.543 -13.342 1.00 0.00 H new ATOM 1356 N HIS A 84 109.147 -8.417 -9.274 1.00 0.00 N ATOM 1357 CA HIS A 84 109.357 -9.721 -9.884 1.00 0.00 C ATOM 1358 C HIS A 84 110.385 -10.497 -9.099 1.00 0.00 C ATOM 1359 O HIS A 84 110.254 -11.711 -8.926 1.00 0.00 O ATOM 1360 CB HIS A 84 109.769 -9.590 -11.366 1.00 0.00 C ATOM 1361 CG HIS A 84 110.105 -10.894 -12.055 1.00 0.00 C ATOM 1362 ND1 HIS A 84 109.161 -11.723 -12.605 1.00 0.00 N ATOM 1363 CD2 HIS A 84 111.301 -11.501 -12.271 1.00 0.00 C ATOM 1364 CE1 HIS A 84 109.753 -12.781 -13.124 1.00 0.00 C ATOM 1365 NE2 HIS A 84 111.048 -12.666 -12.935 1.00 0.00 N ATOM 0 H HIS A 84 109.591 -7.641 -9.765 1.00 0.00 H new ATOM 0 HA HIS A 84 108.415 -10.268 -9.860 1.00 0.00 H new ATOM 0 HB2 HIS A 84 108.958 -9.107 -11.911 1.00 0.00 H new ATOM 0 HB3 HIS A 84 110.634 -8.930 -11.430 1.00 0.00 H new ATOM 0 HD2 HIS A 84 112.271 -11.131 -11.973 1.00 0.00 H new ATOM 0 HE1 HIS A 84 109.257 -13.602 -13.620 1.00 0.00 H new ATOM 0 HE2 HIS A 84 111.752 -13.340 -13.236 1.00 0.00 H new ATOM 1374 N THR A 85 111.396 -9.800 -8.627 1.00 0.00 N ATOM 1375 CA THR A 85 112.424 -10.408 -7.832 1.00 0.00 C ATOM 1376 C THR A 85 111.819 -11.021 -6.561 1.00 0.00 C ATOM 1377 O THR A 85 111.987 -12.215 -6.311 1.00 0.00 O ATOM 1378 CB THR A 85 113.503 -9.383 -7.465 1.00 0.00 C ATOM 1379 OG1 THR A 85 113.986 -8.754 -8.664 1.00 0.00 O ATOM 1380 CG2 THR A 85 114.662 -10.058 -6.746 1.00 0.00 C ATOM 0 H THR A 85 111.522 -8.800 -8.786 1.00 0.00 H new ATOM 0 HA THR A 85 112.889 -11.200 -8.419 1.00 0.00 H new ATOM 0 HB THR A 85 113.068 -8.637 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 85 114.948 -8.918 -8.755 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.417 -9.313 -6.494 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.299 -10.530 -5.833 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.102 -10.815 -7.395 1.00 0.00 H new ATOM 1388 N LYS A 86 111.065 -10.215 -5.798 1.00 0.00 N ATOM 1389 CA LYS A 86 110.445 -10.708 -4.569 1.00 0.00 C ATOM 1390 C LYS A 86 109.450 -11.830 -4.868 1.00 0.00 C ATOM 1391 O LYS A 86 109.373 -12.795 -4.123 1.00 0.00 O ATOM 1392 CB LYS A 86 109.796 -9.569 -3.732 1.00 0.00 C ATOM 1393 CG LYS A 86 108.585 -8.885 -4.359 1.00 0.00 C ATOM 1394 CD LYS A 86 108.069 -7.725 -3.501 1.00 0.00 C ATOM 1395 CE LYS A 86 109.073 -6.580 -3.440 1.00 0.00 C ATOM 1396 NZ LYS A 86 108.573 -5.409 -2.672 1.00 0.00 N ATOM 0 H LYS A 86 110.875 -9.235 -6.009 1.00 0.00 H new ATOM 0 HA LYS A 86 111.242 -11.124 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 86 109.498 -9.979 -2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 86 110.555 -8.812 -3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 86 108.851 -8.513 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 86 107.788 -9.616 -4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 86 107.126 -7.361 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 86 107.862 -8.082 -2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 86 109.997 -6.938 -2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 86 109.318 -6.265 -4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 109.298 -4.663 -2.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 107.707 -5.046 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 108.364 -5.698 -1.695 1.00 0.00 H new ATOM 1410 N GLU A 87 108.749 -11.718 -5.998 1.00 0.00 N ATOM 1411 CA GLU A 87 107.779 -12.722 -6.438 1.00 0.00 C ATOM 1412 C GLU A 87 108.443 -14.099 -6.538 1.00 0.00 C ATOM 1413 O GLU A 87 108.003 -15.069 -5.903 1.00 0.00 O ATOM 1414 CB GLU A 87 107.210 -12.326 -7.805 1.00 0.00 C ATOM 1415 CG GLU A 87 106.143 -13.258 -8.340 1.00 0.00 C ATOM 1416 CD GLU A 87 104.908 -13.277 -7.470 1.00 0.00 C ATOM 1417 OE1 GLU A 87 104.153 -12.289 -7.465 1.00 0.00 O ATOM 1418 OE2 GLU A 87 104.662 -14.276 -6.775 1.00 0.00 O ATOM 0 H GLU A 87 108.838 -10.926 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 87 106.972 -12.773 -5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 87 106.793 -11.322 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.028 -12.281 -8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 87 105.869 -12.951 -9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 87 106.549 -14.267 -8.413 1.00 0.00 H new ATOM 1425 N VAL A 88 109.533 -14.160 -7.275 1.00 0.00 N ATOM 1426 CA VAL A 88 110.249 -15.406 -7.482 1.00 0.00 C ATOM 1427 C VAL A 88 110.764 -15.968 -6.150 1.00 0.00 C ATOM 1428 O VAL A 88 110.718 -17.184 -5.918 1.00 0.00 O ATOM 1429 CB VAL A 88 111.397 -15.233 -8.518 1.00 0.00 C ATOM 1430 CG1 VAL A 88 112.182 -16.531 -8.709 1.00 0.00 C ATOM 1431 CG2 VAL A 88 110.813 -14.778 -9.850 1.00 0.00 C ATOM 0 H VAL A 88 109.947 -13.355 -7.745 1.00 0.00 H new ATOM 0 HA VAL A 88 109.550 -16.132 -7.897 1.00 0.00 H new ATOM 0 HB VAL A 88 112.088 -14.480 -8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 88 112.975 -16.372 -9.439 1.00 0.00 H new ATOM 0 HG12 VAL A 88 112.620 -16.835 -7.758 1.00 0.00 H new ATOM 0 HG13 VAL A 88 111.511 -17.313 -9.066 1.00 0.00 H new ATOM 0 HG21 VAL A 88 111.616 -14.656 -10.577 1.00 0.00 H new ATOM 0 HG22 VAL A 88 110.106 -15.525 -10.212 1.00 0.00 H new ATOM 0 HG23 VAL A 88 110.298 -13.827 -9.716 1.00 0.00 H new ATOM 1441 N ILE A 89 111.183 -15.077 -5.258 1.00 0.00 N ATOM 1442 CA ILE A 89 111.648 -15.472 -3.935 1.00 0.00 C ATOM 1443 C ILE A 89 110.500 -16.095 -3.140 1.00 0.00 C ATOM 1444 O ILE A 89 110.659 -17.159 -2.562 1.00 0.00 O ATOM 1445 CB ILE A 89 112.222 -14.274 -3.136 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.356 -13.609 -3.913 1.00 0.00 C ATOM 1447 CG2 ILE A 89 112.714 -14.721 -1.753 1.00 0.00 C ATOM 1448 CD1 ILE A 89 113.916 -12.387 -3.233 1.00 0.00 C ATOM 0 H ILE A 89 111.210 -14.072 -5.429 1.00 0.00 H new ATOM 0 HA ILE A 89 112.447 -16.199 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 89 111.422 -13.548 -2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.158 -14.333 -4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 89 112.993 -13.330 -4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.112 -13.862 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 89 111.883 -15.149 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.497 -15.470 -1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.717 -11.967 -3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.127 -11.645 -3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.310 -12.663 -2.255 1.00 0.00 H new ATOM 1460 N THR A 90 109.324 -15.454 -3.163 1.00 0.00 N ATOM 1461 CA THR A 90 108.162 -15.948 -2.409 1.00 0.00 C ATOM 1462 C THR A 90 107.765 -17.364 -2.865 1.00 0.00 C ATOM 1463 O THR A 90 107.261 -18.179 -2.078 1.00 0.00 O ATOM 1464 CB THR A 90 106.914 -14.992 -2.505 1.00 0.00 C ATOM 1465 OG1 THR A 90 106.385 -14.947 -3.838 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.253 -13.570 -2.074 1.00 0.00 C ATOM 0 H THR A 90 109.152 -14.599 -3.691 1.00 0.00 H new ATOM 0 HA THR A 90 108.474 -15.976 -1.365 1.00 0.00 H new ATOM 0 HB THR A 90 106.167 -15.405 -1.828 1.00 0.00 H new ATOM 0 HG1 THR A 90 107.114 -14.793 -4.474 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.365 -12.944 -2.155 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.599 -13.576 -1.041 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.038 -13.172 -2.717 1.00 0.00 H new ATOM 1474 N ASN A 91 108.051 -17.656 -4.122 1.00 0.00 N ATOM 1475 CA ASN A 91 107.704 -18.933 -4.734 1.00 0.00 C ATOM 1476 C ASN A 91 108.825 -19.945 -4.613 1.00 0.00 C ATOM 1477 O ASN A 91 108.606 -21.137 -4.800 1.00 0.00 O ATOM 1478 CB ASN A 91 107.383 -18.733 -6.214 1.00 0.00 C ATOM 1479 CG ASN A 91 106.172 -17.866 -6.450 1.00 0.00 C ATOM 1480 OD1 ASN A 91 105.216 -17.878 -5.677 1.00 0.00 O ATOM 1481 ND2 ASN A 91 106.209 -17.091 -7.499 1.00 0.00 N ATOM 0 H ASN A 91 108.532 -17.014 -4.752 1.00 0.00 H new ATOM 0 HA ASN A 91 106.834 -19.317 -4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 91 108.245 -18.284 -6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 91 107.221 -19.706 -6.678 1.00 0.00 H new ATOM 0 HD21 ASN A 91 105.427 -16.467 -7.700 1.00 0.00 H new ATOM 0 HD22 ASN A 91 107.020 -17.109 -8.118 1.00 0.00 H new ATOM 1488 N SER A 92 110.017 -19.489 -4.303 1.00 0.00 N ATOM 1489 CA SER A 92 111.158 -20.382 -4.268 1.00 0.00 C ATOM 1490 C SER A 92 111.858 -20.387 -2.901 1.00 0.00 C ATOM 1491 O SER A 92 112.942 -20.944 -2.755 1.00 0.00 O ATOM 1492 CB SER A 92 112.138 -19.959 -5.354 1.00 0.00 C ATOM 1493 OG SER A 92 111.462 -19.791 -6.607 1.00 0.00 O ATOM 0 H SER A 92 110.223 -18.517 -4.073 1.00 0.00 H new ATOM 0 HA SER A 92 110.802 -21.397 -4.442 1.00 0.00 H new ATOM 0 HB2 SER A 92 112.624 -19.026 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 92 112.922 -20.709 -5.456 1.00 0.00 H new ATOM 0 HG SER A 92 111.069 -18.894 -6.649 1.00 0.00 H new ATOM 1499 N ILE A 93 111.235 -19.804 -1.901 1.00 0.00 N ATOM 1500 CA ILE A 93 111.842 -19.733 -0.573 1.00 0.00 C ATOM 1501 C ILE A 93 111.681 -21.085 0.129 1.00 0.00 C ATOM 1502 O ILE A 93 112.404 -21.419 1.066 1.00 0.00 O ATOM 1503 CB ILE A 93 111.232 -18.579 0.292 1.00 0.00 C ATOM 1504 CG1 ILE A 93 112.051 -18.359 1.573 1.00 0.00 C ATOM 1505 CG2 ILE A 93 109.772 -18.848 0.624 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.485 -17.916 1.303 1.00 0.00 C ATOM 0 H ILE A 93 110.314 -19.372 -1.972 1.00 0.00 H new ATOM 0 HA ILE A 93 112.902 -19.507 -0.692 1.00 0.00 H new ATOM 0 HB ILE A 93 111.276 -17.665 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.556 -17.608 2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 93 112.066 -19.284 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.379 -18.028 1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.198 -18.929 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 93 109.692 -19.780 1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 93 114.008 -17.779 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 93 113.996 -18.677 0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.478 -16.975 0.753 1.00 0.00 H new ATOM 1518 N THR A 94 110.709 -21.836 -0.344 1.00 0.00 N ATOM 1519 CA THR A 94 110.444 -23.193 0.091 1.00 0.00 C ATOM 1520 C THR A 94 111.697 -24.109 -0.103 1.00 0.00 C ATOM 1521 O THR A 94 111.912 -25.066 0.657 1.00 0.00 O ATOM 1522 CB THR A 94 109.214 -23.758 -0.686 1.00 0.00 C ATOM 1523 OG1 THR A 94 108.879 -25.072 -0.242 1.00 0.00 O ATOM 1524 CG2 THR A 94 109.468 -23.770 -2.197 1.00 0.00 C ATOM 0 H THR A 94 110.062 -21.511 -1.063 1.00 0.00 H new ATOM 0 HA THR A 94 110.218 -23.180 1.157 1.00 0.00 H new ATOM 0 HB THR A 94 108.373 -23.096 -0.479 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.104 -25.400 -0.745 1.00 0.00 H new ATOM 0 HG21 THR A 94 108.593 -24.169 -2.710 1.00 0.00 H new ATOM 0 HG22 THR A 94 109.659 -22.754 -2.542 1.00 0.00 H new ATOM 0 HG23 THR A 94 110.333 -24.396 -2.416 1.00 0.00 H new ATOM 1532 N GLN A 95 112.522 -23.786 -1.095 1.00 0.00 N ATOM 1533 CA GLN A 95 113.744 -24.517 -1.378 1.00 0.00 C ATOM 1534 C GLN A 95 114.855 -23.525 -1.699 1.00 0.00 C ATOM 1535 O GLN A 95 115.135 -23.242 -2.861 1.00 0.00 O ATOM 1536 CB GLN A 95 113.575 -25.523 -2.528 1.00 0.00 C ATOM 1537 CG GLN A 95 112.659 -26.698 -2.227 1.00 0.00 C ATOM 1538 CD GLN A 95 112.485 -27.621 -3.416 1.00 0.00 C ATOM 1539 OE1 GLN A 95 112.532 -27.187 -4.565 1.00 0.00 O ATOM 1540 NE2 GLN A 95 112.309 -28.883 -3.164 1.00 0.00 N ATOM 0 H GLN A 95 112.356 -23.003 -1.727 1.00 0.00 H new ATOM 0 HA GLN A 95 114.002 -25.097 -0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 95 113.188 -24.994 -3.399 1.00 0.00 H new ATOM 0 HB3 GLN A 95 114.558 -25.909 -2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 95 113.064 -27.264 -1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 95 111.684 -26.323 -1.917 1.00 0.00 H new ATOM 0 HE21 GLN A 95 112.275 -29.210 -2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 95 112.205 -29.547 -3.932 1.00 0.00 H new ATOM 1549 N PRO A 96 115.436 -22.915 -0.675 1.00 0.00 N ATOM 1550 CA PRO A 96 116.485 -21.931 -0.851 1.00 0.00 C ATOM 1551 C PRO A 96 117.841 -22.547 -1.176 1.00 0.00 C ATOM 1552 O PRO A 96 118.118 -23.719 -0.847 1.00 0.00 O ATOM 1553 CB PRO A 96 116.537 -21.235 0.497 1.00 0.00 C ATOM 1554 CG PRO A 96 116.111 -22.272 1.462 1.00 0.00 C ATOM 1555 CD PRO A 96 115.096 -23.104 0.742 1.00 0.00 C ATOM 0 HA PRO A 96 116.274 -21.271 -1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.541 -20.874 0.719 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.874 -20.370 0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 96 116.957 -22.879 1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.683 -21.821 2.358 1.00 0.00 H new ATOM 0 HD2 PRO A 96 115.158 -24.153 1.033 1.00 0.00 H new ATOM 0 HD3 PRO A 96 114.080 -22.773 0.958 1.00 0.00 H new ATOM 1563 N THR A 97 118.657 -21.765 -1.808 1.00 0.00 N ATOM 1564 CA THR A 97 119.988 -22.114 -2.174 1.00 0.00 C ATOM 1565 C THR A 97 120.903 -21.051 -1.648 1.00 0.00 C ATOM 1566 O THR A 97 120.450 -20.123 -0.965 1.00 0.00 O ATOM 1567 CB THR A 97 120.144 -22.193 -3.701 1.00 0.00 C ATOM 1568 OG1 THR A 97 119.702 -20.967 -4.315 1.00 0.00 O ATOM 1569 CG2 THR A 97 119.383 -23.370 -4.255 1.00 0.00 C ATOM 0 H THR A 97 118.398 -20.821 -2.095 1.00 0.00 H new ATOM 0 HA THR A 97 120.229 -23.092 -1.757 1.00 0.00 H new ATOM 0 HB THR A 97 121.200 -22.333 -3.932 1.00 0.00 H new ATOM 0 HG1 THR A 97 119.809 -21.031 -5.287 1.00 0.00 H new ATOM 0 HG21 THR A 97 119.507 -23.407 -5.337 1.00 0.00 H new ATOM 0 HG22 THR A 97 119.766 -24.291 -3.814 1.00 0.00 H new ATOM 0 HG23 THR A 97 118.325 -23.265 -4.015 1.00 0.00 H new ATOM 1577 N LEU A 98 122.153 -21.139 -2.008 1.00 0.00 N ATOM 1578 CA LEU A 98 123.163 -20.225 -1.526 1.00 0.00 C ATOM 1579 C LEU A 98 122.927 -18.796 -2.044 1.00 0.00 C ATOM 1580 O LEU A 98 123.497 -17.833 -1.536 1.00 0.00 O ATOM 1581 CB LEU A 98 124.542 -20.717 -1.939 1.00 0.00 C ATOM 1582 CG LEU A 98 125.633 -20.460 -0.929 1.00 0.00 C ATOM 1583 CD1 LEU A 98 125.316 -21.231 0.338 1.00 0.00 C ATOM 1584 CD2 LEU A 98 126.983 -20.870 -1.483 1.00 0.00 C ATOM 0 H LEU A 98 122.507 -21.850 -2.648 1.00 0.00 H new ATOM 0 HA LEU A 98 123.101 -20.194 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 98 124.488 -21.789 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 98 124.817 -20.239 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 98 125.680 -19.394 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 98 126.098 -21.054 1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 98 124.358 -20.898 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 98 125.265 -22.296 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 98 127.756 -20.676 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 98 126.970 -21.933 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 98 127.196 -20.296 -2.385 1.00 0.00 H new ATOM 1596 N HIS A 99 122.106 -18.664 -3.072 1.00 0.00 N ATOM 1597 CA HIS A 99 121.770 -17.366 -3.606 1.00 0.00 C ATOM 1598 C HIS A 99 120.284 -17.233 -3.925 1.00 0.00 C ATOM 1599 O HIS A 99 119.906 -16.895 -5.049 1.00 0.00 O ATOM 1600 CB HIS A 99 122.619 -16.983 -4.829 1.00 0.00 C ATOM 1601 CG HIS A 99 124.043 -16.631 -4.537 1.00 0.00 C ATOM 1602 ND1 HIS A 99 125.195 -17.272 -4.828 1.00 0.00 N flip ATOM 1603 CD2 HIS A 99 124.411 -15.482 -3.874 1.00 0.00 C flip ATOM 1604 CE1 HIS A 99 126.212 -16.498 -4.345 1.00 0.00 C flip ATOM 1605 NE2 HIS A 99 125.713 -15.430 -3.777 1.00 0.00 N flip ATOM 0 H HIS A 99 121.661 -19.447 -3.551 1.00 0.00 H new ATOM 0 HA HIS A 99 122.007 -16.660 -2.810 1.00 0.00 H new ATOM 0 HB2 HIS A 99 122.605 -17.814 -5.534 1.00 0.00 H new ATOM 0 HB3 HIS A 99 122.148 -16.135 -5.326 1.00 0.00 H new ATOM 0 HD2 HIS A 99 123.728 -14.737 -3.492 1.00 0.00 H new ATOM 0 HE1 HIS A 99 127.264 -16.731 -4.420 1.00 0.00 H new ATOM 0 HE2 HIS A 99 126.249 -14.684 -3.334 1.00 0.00 H new ATOM 1614 N SER A 100 119.439 -17.484 -2.943 1.00 0.00 N ATOM 1615 CA SER A 100 118.001 -17.280 -3.108 1.00 0.00 C ATOM 1616 C SER A 100 117.634 -15.794 -3.100 1.00 0.00 C ATOM 1617 O SER A 100 116.493 -15.417 -3.371 1.00 0.00 O ATOM 1618 CB SER A 100 117.217 -18.049 -2.046 1.00 0.00 C ATOM 1619 OG SER A 100 117.373 -19.429 -2.261 1.00 0.00 O ATOM 0 H SER A 100 119.716 -17.828 -2.024 1.00 0.00 H new ATOM 0 HA SER A 100 117.724 -17.674 -4.086 1.00 0.00 H new ATOM 0 HB2 SER A 100 117.573 -17.782 -1.051 1.00 0.00 H new ATOM 0 HB3 SER A 100 116.162 -17.779 -2.090 1.00 0.00 H new ATOM 0 HG SER A 100 117.597 -19.590 -3.201 1.00 0.00 H new ATOM 1625 N PHE A 101 118.605 -14.966 -2.795 1.00 0.00 N ATOM 1626 CA PHE A 101 118.417 -13.536 -2.781 1.00 0.00 C ATOM 1627 C PHE A 101 119.423 -12.926 -3.739 1.00 0.00 C ATOM 1628 O PHE A 101 119.766 -11.760 -3.632 1.00 0.00 O ATOM 1629 CB PHE A 101 118.653 -12.983 -1.367 1.00 0.00 C ATOM 1630 CG PHE A 101 117.906 -13.704 -0.276 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.545 -13.513 -0.087 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.574 -14.585 0.558 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.875 -14.187 0.915 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.906 -15.257 1.555 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.556 -15.057 1.732 1.00 0.00 C ATOM 0 H PHE A 101 119.548 -15.266 -2.549 1.00 0.00 H new ATOM 0 HA PHE A 101 117.399 -13.289 -3.081 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.720 -13.027 -1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.367 -11.931 -1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 101 116.005 -12.832 -0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.633 -14.747 0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.816 -14.030 1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.440 -15.941 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 101 116.031 -15.585 2.514 1.00 0.00 H new ATOM 1645 N ASP A 102 119.852 -13.721 -4.714 1.00 0.00 N ATOM 1646 CA ASP A 102 120.885 -13.294 -5.663 1.00 0.00 C ATOM 1647 C ASP A 102 120.435 -12.117 -6.486 1.00 0.00 C ATOM 1648 O ASP A 102 121.114 -11.085 -6.531 1.00 0.00 O ATOM 1649 CB ASP A 102 121.287 -14.416 -6.602 1.00 0.00 C ATOM 1650 CG ASP A 102 122.430 -14.009 -7.497 1.00 0.00 C ATOM 1651 OD1 ASP A 102 123.596 -14.087 -7.045 1.00 0.00 O ATOM 1652 OD2 ASP A 102 122.194 -13.600 -8.642 1.00 0.00 O ATOM 0 H ASP A 102 119.502 -14.666 -4.871 1.00 0.00 H new ATOM 0 HA ASP A 102 121.745 -13.004 -5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 102 121.574 -15.292 -6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.431 -14.704 -7.212 1.00 0.00 H new ATOM 1657 N ALA A 103 119.265 -12.252 -7.085 1.00 0.00 N ATOM 1658 CA ALA A 103 118.724 -11.218 -7.944 1.00 0.00 C ATOM 1659 C ALA A 103 118.351 -10.036 -7.101 1.00 0.00 C ATOM 1660 O ALA A 103 118.504 -8.879 -7.493 1.00 0.00 O ATOM 1661 CB ALA A 103 117.506 -11.725 -8.706 1.00 0.00 C ATOM 0 H ALA A 103 118.669 -13.074 -6.990 1.00 0.00 H new ATOM 0 HA ALA A 103 119.478 -10.930 -8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.119 -10.930 -9.343 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.791 -12.578 -9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 103 116.735 -12.030 -7.998 1.00 0.00 H new ATOM 1667 N ALA A 104 117.936 -10.343 -5.904 1.00 0.00 N ATOM 1668 CA ALA A 104 117.514 -9.358 -4.973 1.00 0.00 C ATOM 1669 C ALA A 104 118.678 -8.502 -4.515 1.00 0.00 C ATOM 1670 O ALA A 104 118.533 -7.305 -4.341 1.00 0.00 O ATOM 1671 CB ALA A 104 116.774 -10.012 -3.831 1.00 0.00 C ATOM 0 H ALA A 104 117.884 -11.299 -5.552 1.00 0.00 H new ATOM 0 HA ALA A 104 116.817 -8.677 -5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.454 -9.250 -3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 104 115.901 -10.538 -4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.433 -10.721 -3.329 1.00 0.00 H new ATOM 1677 N GLN A 105 119.840 -9.108 -4.389 1.00 0.00 N ATOM 1678 CA GLN A 105 121.048 -8.391 -4.039 1.00 0.00 C ATOM 1679 C GLN A 105 121.388 -7.361 -5.113 1.00 0.00 C ATOM 1680 O GLN A 105 121.750 -6.223 -4.804 1.00 0.00 O ATOM 1681 CB GLN A 105 122.223 -9.356 -3.851 1.00 0.00 C ATOM 1682 CG GLN A 105 123.537 -8.653 -3.564 1.00 0.00 C ATOM 1683 CD GLN A 105 124.688 -9.592 -3.346 1.00 0.00 C ATOM 1684 OE1 GLN A 105 124.958 -10.010 -2.225 1.00 0.00 O ATOM 1685 NE2 GLN A 105 125.388 -9.909 -4.391 1.00 0.00 N ATOM 0 H GLN A 105 119.974 -10.110 -4.526 1.00 0.00 H new ATOM 0 HA GLN A 105 120.870 -7.875 -3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 105 121.997 -10.037 -3.031 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.333 -9.964 -4.749 1.00 0.00 H new ATOM 0 HG2 GLN A 105 123.773 -7.989 -4.396 1.00 0.00 H new ATOM 0 HG3 GLN A 105 123.418 -8.026 -2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 105 125.132 -9.541 -5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 105 126.195 -10.526 -4.297 1.00 0.00 H new ATOM 1694 N SER A 106 121.193 -7.736 -6.365 1.00 0.00 N ATOM 1695 CA SER A 106 121.539 -6.878 -7.464 1.00 0.00 C ATOM 1696 C SER A 106 120.504 -5.775 -7.585 1.00 0.00 C ATOM 1697 O SER A 106 120.824 -4.645 -7.951 1.00 0.00 O ATOM 1698 CB SER A 106 121.646 -7.701 -8.740 1.00 0.00 C ATOM 1699 OG SER A 106 122.557 -8.779 -8.544 1.00 0.00 O ATOM 0 H SER A 106 120.795 -8.635 -6.638 1.00 0.00 H new ATOM 0 HA SER A 106 122.508 -6.411 -7.290 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.665 -8.087 -9.018 1.00 0.00 H new ATOM 0 HB3 SER A 106 121.985 -7.071 -9.563 1.00 0.00 H new ATOM 0 HG SER A 106 122.621 -9.307 -9.367 1.00 0.00 H new ATOM 1705 N ARG A 107 119.278 -6.119 -7.224 1.00 0.00 N ATOM 1706 CA ARG A 107 118.155 -5.198 -7.176 1.00 0.00 C ATOM 1707 C ARG A 107 118.336 -4.157 -6.097 1.00 0.00 C ATOM 1708 O ARG A 107 118.045 -2.983 -6.295 1.00 0.00 O ATOM 1709 CB ARG A 107 116.868 -5.970 -6.960 1.00 0.00 C ATOM 1710 CG ARG A 107 116.074 -6.245 -8.216 1.00 0.00 C ATOM 1711 CD ARG A 107 116.877 -6.931 -9.306 1.00 0.00 C ATOM 1712 NE ARG A 107 116.138 -6.977 -10.573 1.00 0.00 N ATOM 1713 CZ ARG A 107 116.681 -7.275 -11.759 1.00 0.00 C ATOM 1714 NH1 ARG A 107 117.903 -7.779 -11.825 1.00 0.00 N ATOM 1715 NH2 ARG A 107 115.974 -7.122 -12.874 1.00 0.00 N ATOM 0 H ARG A 107 119.031 -7.070 -6.950 1.00 0.00 H new ATOM 0 HA ARG A 107 118.104 -4.673 -8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 107 117.107 -6.921 -6.483 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.240 -5.413 -6.265 1.00 0.00 H new ATOM 0 HG2 ARG A 107 115.215 -6.867 -7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.684 -5.303 -8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 107 117.819 -6.402 -9.452 1.00 0.00 H new ATOM 0 HD3 ARG A 107 117.126 -7.945 -8.992 1.00 0.00 H new ATOM 0 HE ARG A 107 115.140 -6.767 -10.548 1.00 0.00 H new ATOM 0 HH11 ARG A 107 118.434 -7.942 -10.970 1.00 0.00 H new ATOM 0 HH12 ARG A 107 118.313 -8.005 -12.731 1.00 0.00 H new ATOM 0 HH21 ARG A 107 115.015 -6.777 -12.827 1.00 0.00 H new ATOM 0 HH22 ARG A 107 116.390 -7.350 -13.777 1.00 0.00 H new ATOM 1729 N VAL A 108 118.830 -4.577 -4.981 1.00 0.00 N ATOM 1730 CA VAL A 108 119.075 -3.692 -3.877 1.00 0.00 C ATOM 1731 C VAL A 108 120.301 -2.822 -4.123 1.00 0.00 C ATOM 1732 O VAL A 108 120.306 -1.618 -3.811 1.00 0.00 O ATOM 1733 CB VAL A 108 119.180 -4.486 -2.577 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.655 -3.620 -1.454 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.815 -5.041 -2.249 1.00 0.00 C ATOM 0 H VAL A 108 119.079 -5.550 -4.801 1.00 0.00 H new ATOM 0 HA VAL A 108 118.229 -3.012 -3.782 1.00 0.00 H new ATOM 0 HB VAL A 108 119.902 -5.292 -2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.720 -4.212 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.638 -3.217 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 108 118.953 -2.800 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.868 -5.613 -1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 108 117.108 -4.220 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.483 -5.691 -3.058 1.00 0.00 H new ATOM 1745 N TYR A 109 121.318 -3.420 -4.702 1.00 0.00 N ATOM 1746 CA TYR A 109 122.506 -2.705 -5.095 1.00 0.00 C ATOM 1747 C TYR A 109 122.161 -1.554 -6.046 1.00 0.00 C ATOM 1748 O TYR A 109 122.591 -0.443 -5.841 1.00 0.00 O ATOM 1749 CB TYR A 109 123.539 -3.693 -5.691 1.00 0.00 C ATOM 1750 CG TYR A 109 124.502 -3.117 -6.713 1.00 0.00 C ATOM 1751 CD1 TYR A 109 124.139 -3.045 -8.052 1.00 0.00 C ATOM 1752 CD2 TYR A 109 125.752 -2.651 -6.349 1.00 0.00 C ATOM 1753 CE1 TYR A 109 124.977 -2.526 -8.994 1.00 0.00 C ATOM 1754 CE2 TYR A 109 126.616 -2.126 -7.292 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.221 -2.063 -8.616 1.00 0.00 C ATOM 1756 OH TYR A 109 127.080 -1.543 -9.565 1.00 0.00 O ATOM 0 H TYR A 109 121.342 -4.418 -4.913 1.00 0.00 H new ATOM 0 HA TYR A 109 122.964 -2.247 -4.218 1.00 0.00 H new ATOM 0 HB2 TYR A 109 124.121 -4.116 -4.872 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.997 -4.516 -6.156 1.00 0.00 H new ATOM 0 HD1 TYR A 109 123.168 -3.409 -8.354 1.00 0.00 H new ATOM 0 HD2 TYR A 109 126.057 -2.698 -5.314 1.00 0.00 H new ATOM 0 HE1 TYR A 109 124.670 -2.478 -10.028 1.00 0.00 H new ATOM 0 HE2 TYR A 109 127.591 -1.768 -6.997 1.00 0.00 H new ATOM 0 HH TYR A 109 127.804 -1.055 -9.119 1.00 0.00 H new ATOM 1766 N GLN A 110 121.339 -1.828 -7.054 1.00 0.00 N ATOM 1767 CA GLN A 110 120.949 -0.800 -8.017 1.00 0.00 C ATOM 1768 C GLN A 110 120.021 0.250 -7.380 1.00 0.00 C ATOM 1769 O GLN A 110 120.011 1.402 -7.816 1.00 0.00 O ATOM 1770 CB GLN A 110 120.320 -1.421 -9.272 1.00 0.00 C ATOM 1771 CG GLN A 110 119.155 -2.311 -8.956 1.00 0.00 C ATOM 1772 CD GLN A 110 118.460 -2.949 -10.137 1.00 0.00 C ATOM 1773 OE1 GLN A 110 117.263 -3.186 -10.088 1.00 0.00 O ATOM 1774 NE2 GLN A 110 119.185 -3.308 -11.149 1.00 0.00 N ATOM 0 H GLN A 110 120.931 -2.747 -7.226 1.00 0.00 H new ATOM 0 HA GLN A 110 121.856 -0.282 -8.327 1.00 0.00 H new ATOM 0 HB2 GLN A 110 119.993 -0.625 -9.941 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.077 -1.996 -9.806 1.00 0.00 H new ATOM 0 HG2 GLN A 110 119.500 -3.104 -8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 110 118.420 -1.728 -8.400 1.00 0.00 H new ATOM 0 HE21 GLN A 110 120.183 -3.096 -11.162 1.00 0.00 H new ATOM 0 HE22 GLN A 110 118.758 -3.802 -11.932 1.00 0.00 H new ATOM 1783 N LEU A 111 119.264 -0.160 -6.333 1.00 0.00 N ATOM 1784 CA LEU A 111 118.380 0.748 -5.578 1.00 0.00 C ATOM 1785 C LEU A 111 119.150 1.926 -5.054 1.00 0.00 C ATOM 1786 O LEU A 111 118.937 3.065 -5.478 1.00 0.00 O ATOM 1787 CB LEU A 111 117.730 0.046 -4.376 1.00 0.00 C ATOM 1788 CG LEU A 111 116.569 -0.885 -4.644 1.00 0.00 C ATOM 1789 CD1 LEU A 111 116.215 -1.637 -3.373 1.00 0.00 C ATOM 1790 CD2 LEU A 111 115.374 -0.081 -5.117 1.00 0.00 C ATOM 0 H LEU A 111 119.252 -1.122 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 111 117.606 1.072 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 111 118.504 -0.524 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 111 117.389 0.816 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 111 116.848 -1.601 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 111 115.378 -2.307 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 111 117.076 -2.218 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.937 -0.926 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 111 114.537 -0.752 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 111 115.092 0.638 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 111 115.632 0.450 -6.033 1.00 0.00 H new ATOM 1802 N MET A 112 120.074 1.659 -4.162 1.00 0.00 N ATOM 1803 CA MET A 112 120.826 2.734 -3.567 1.00 0.00 C ATOM 1804 C MET A 112 121.947 3.245 -4.427 1.00 0.00 C ATOM 1805 O MET A 112 122.483 4.295 -4.152 1.00 0.00 O ATOM 1806 CB MET A 112 121.225 2.512 -2.098 1.00 0.00 C ATOM 1807 CG MET A 112 121.564 1.099 -1.693 1.00 0.00 C ATOM 1808 SD MET A 112 122.879 0.348 -2.618 1.00 0.00 S ATOM 1809 CE MET A 112 122.984 -1.223 -1.781 1.00 0.00 C ATOM 0 H MET A 112 120.319 0.724 -3.838 1.00 0.00 H new ATOM 0 HA MET A 112 120.107 3.552 -3.522 1.00 0.00 H new ATOM 0 HB2 MET A 112 122.086 3.144 -1.880 1.00 0.00 H new ATOM 0 HB3 MET A 112 120.407 2.860 -1.467 1.00 0.00 H new ATOM 0 HG2 MET A 112 121.834 1.095 -0.637 1.00 0.00 H new ATOM 0 HG3 MET A 112 120.670 0.483 -1.796 1.00 0.00 H new ATOM 0 HE1 MET A 112 124.012 -1.583 -1.811 1.00 0.00 H new ATOM 0 HE2 MET A 112 122.671 -1.104 -0.744 1.00 0.00 H new ATOM 0 HE3 MET A 112 122.333 -1.943 -2.276 1.00 0.00 H new ATOM 1819 N GLU A 113 122.284 2.522 -5.473 1.00 0.00 N ATOM 1820 CA GLU A 113 123.247 3.002 -6.447 1.00 0.00 C ATOM 1821 C GLU A 113 122.670 4.276 -7.107 1.00 0.00 C ATOM 1822 O GLU A 113 123.107 5.399 -6.819 1.00 0.00 O ATOM 1823 CB GLU A 113 123.511 1.884 -7.495 1.00 0.00 C ATOM 1824 CG GLU A 113 124.728 2.048 -8.411 1.00 0.00 C ATOM 1825 CD GLU A 113 124.589 3.117 -9.447 1.00 0.00 C ATOM 1826 OE1 GLU A 113 124.017 2.849 -10.520 1.00 0.00 O ATOM 1827 OE2 GLU A 113 125.057 4.233 -9.234 1.00 0.00 O ATOM 0 H GLU A 113 121.905 1.596 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 113 124.198 3.250 -5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.617 0.940 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.625 1.797 -8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 113 125.601 2.267 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 113 124.920 1.099 -8.911 1.00 0.00 H new ATOM 1834 N GLN A 114 121.607 4.110 -7.870 1.00 0.00 N ATOM 1835 CA GLN A 114 121.044 5.223 -8.644 1.00 0.00 C ATOM 1836 C GLN A 114 120.357 6.275 -7.770 1.00 0.00 C ATOM 1837 O GLN A 114 120.112 7.396 -8.229 1.00 0.00 O ATOM 1838 CB GLN A 114 120.072 4.720 -9.717 1.00 0.00 C ATOM 1839 CG GLN A 114 118.863 3.986 -9.164 1.00 0.00 C ATOM 1840 CD GLN A 114 117.863 3.618 -10.229 1.00 0.00 C ATOM 1841 OE1 GLN A 114 116.952 4.397 -10.531 1.00 0.00 O ATOM 1842 NE2 GLN A 114 118.006 2.448 -10.797 1.00 0.00 N ATOM 0 H GLN A 114 121.111 3.225 -7.977 1.00 0.00 H new ATOM 0 HA GLN A 114 121.893 5.707 -9.127 1.00 0.00 H new ATOM 0 HB2 GLN A 114 119.729 5.569 -10.308 1.00 0.00 H new ATOM 0 HB3 GLN A 114 120.608 4.056 -10.395 1.00 0.00 H new ATOM 0 HG2 GLN A 114 119.195 3.081 -8.656 1.00 0.00 H new ATOM 0 HG3 GLN A 114 118.376 4.611 -8.416 1.00 0.00 H new ATOM 0 HE21 GLN A 114 118.772 1.836 -10.518 1.00 0.00 H new ATOM 0 HE22 GLN A 114 117.351 2.148 -11.519 1.00 0.00 H new ATOM 1851 N ASP A 115 120.055 5.932 -6.536 1.00 0.00 N ATOM 1852 CA ASP A 115 119.348 6.862 -5.671 1.00 0.00 C ATOM 1853 C ASP A 115 120.246 7.481 -4.598 1.00 0.00 C ATOM 1854 O ASP A 115 120.372 8.698 -4.522 1.00 0.00 O ATOM 1855 CB ASP A 115 118.114 6.200 -5.039 1.00 0.00 C ATOM 1856 CG ASP A 115 117.291 7.157 -4.197 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.563 8.013 -4.763 1.00 0.00 O ATOM 1858 OD2 ASP A 115 117.331 7.070 -2.951 1.00 0.00 O ATOM 0 H ASP A 115 120.282 5.033 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 115 119.016 7.682 -6.308 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.486 5.788 -5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.436 5.364 -4.418 1.00 0.00 H new ATOM 1863 N SER A 116 120.896 6.659 -3.809 1.00 0.00 N ATOM 1864 CA SER A 116 121.661 7.151 -2.672 1.00 0.00 C ATOM 1865 C SER A 116 123.153 7.401 -2.983 1.00 0.00 C ATOM 1866 O SER A 116 123.775 8.239 -2.343 1.00 0.00 O ATOM 1867 CB SER A 116 121.526 6.174 -1.510 1.00 0.00 C ATOM 1868 OG SER A 116 120.157 5.923 -1.218 1.00 0.00 O ATOM 0 H SER A 116 120.915 5.646 -3.927 1.00 0.00 H new ATOM 0 HA SER A 116 121.242 8.123 -2.411 1.00 0.00 H new ATOM 0 HB2 SER A 116 122.028 5.238 -1.756 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.022 6.580 -0.628 1.00 0.00 H new ATOM 0 HG SER A 116 119.977 6.144 -0.280 1.00 0.00 H new ATOM 1874 N TYR A 117 123.717 6.708 -3.971 1.00 0.00 N ATOM 1875 CA TYR A 117 125.148 6.825 -4.277 1.00 0.00 C ATOM 1876 C TYR A 117 125.511 8.210 -4.774 1.00 0.00 C ATOM 1877 O TYR A 117 126.581 8.728 -4.477 1.00 0.00 O ATOM 1878 CB TYR A 117 125.558 5.728 -5.251 1.00 0.00 C ATOM 1879 CG TYR A 117 126.905 5.881 -5.908 1.00 0.00 C ATOM 1880 CD1 TYR A 117 128.085 5.921 -5.175 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.982 5.992 -7.282 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.299 6.067 -5.812 1.00 0.00 C ATOM 1883 CE2 TYR A 117 128.182 6.137 -7.915 1.00 0.00 C ATOM 1884 CZ TYR A 117 129.332 6.174 -7.186 1.00 0.00 C ATOM 1885 OH TYR A 117 130.520 6.339 -7.832 1.00 0.00 O ATOM 0 H TYR A 117 123.209 6.060 -4.574 1.00 0.00 H new ATOM 0 HA TYR A 117 125.714 6.687 -3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.544 4.777 -4.719 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.802 5.667 -6.034 1.00 0.00 H new ATOM 0 HD1 TYR A 117 128.051 5.837 -4.099 1.00 0.00 H new ATOM 0 HD2 TYR A 117 126.075 5.964 -7.867 1.00 0.00 H new ATOM 0 HE1 TYR A 117 130.215 6.097 -5.240 1.00 0.00 H new ATOM 0 HE2 TYR A 117 128.220 6.222 -8.991 1.00 0.00 H new ATOM 0 HH TYR A 117 131.228 5.875 -7.338 1.00 0.00 H new ATOM 1895 N THR A 118 124.609 8.813 -5.470 1.00 0.00 N ATOM 1896 CA THR A 118 124.796 10.158 -5.962 1.00 0.00 C ATOM 1897 C THR A 118 124.842 11.148 -4.769 1.00 0.00 C ATOM 1898 O THR A 118 125.712 12.058 -4.678 1.00 0.00 O ATOM 1899 CB THR A 118 123.651 10.503 -6.925 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.403 10.226 -6.280 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.742 9.653 -8.183 1.00 0.00 C ATOM 0 H THR A 118 123.713 8.395 -5.721 1.00 0.00 H new ATOM 0 HA THR A 118 125.740 10.234 -6.501 1.00 0.00 H new ATOM 0 HB THR A 118 123.722 11.557 -7.195 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.665 10.445 -6.887 1.00 0.00 H new ATOM 0 HG21 THR A 118 122.923 9.910 -8.855 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.693 9.841 -8.681 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.675 8.599 -7.915 1.00 0.00 H new ATOM 1909 N ARG A 119 123.948 10.927 -3.820 1.00 0.00 N ATOM 1910 CA ARG A 119 123.910 11.721 -2.615 1.00 0.00 C ATOM 1911 C ARG A 119 125.140 11.430 -1.792 1.00 0.00 C ATOM 1912 O ARG A 119 125.660 12.302 -1.129 1.00 0.00 O ATOM 1913 CB ARG A 119 122.673 11.449 -1.796 1.00 0.00 C ATOM 1914 CG ARG A 119 121.381 11.678 -2.515 1.00 0.00 C ATOM 1915 CD ARG A 119 120.225 11.425 -1.588 1.00 0.00 C ATOM 1916 NE ARG A 119 118.978 11.375 -2.305 1.00 0.00 N ATOM 1917 CZ ARG A 119 118.298 10.256 -2.486 1.00 0.00 C ATOM 1918 NH1 ARG A 119 118.630 9.151 -1.812 1.00 0.00 N ATOM 1919 NH2 ARG A 119 117.248 10.253 -3.283 1.00 0.00 N ATOM 0 H ARG A 119 123.236 10.198 -3.867 1.00 0.00 H new ATOM 0 HA ARG A 119 123.885 12.772 -2.904 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.703 10.415 -1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.696 12.081 -0.909 1.00 0.00 H new ATOM 0 HG2 ARG A 119 121.340 12.701 -2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 119 121.315 11.019 -3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 119 120.380 10.485 -1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 119 120.182 12.212 -0.835 1.00 0.00 H new ATOM 0 HE ARG A 119 118.602 12.241 -2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 119 119.410 9.169 -1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 119 118.103 8.289 -1.954 1.00 0.00 H new ATOM 0 HH21 ARG A 119 116.964 11.111 -3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 119 116.719 9.393 -3.427 1.00 0.00 H new ATOM 1933 N PHE A 120 125.598 10.192 -1.847 1.00 0.00 N ATOM 1934 CA PHE A 120 126.819 9.800 -1.199 1.00 0.00 C ATOM 1935 C PHE A 120 127.987 10.576 -1.786 1.00 0.00 C ATOM 1936 O PHE A 120 128.821 11.053 -1.064 1.00 0.00 O ATOM 1937 CB PHE A 120 127.053 8.281 -1.290 1.00 0.00 C ATOM 1938 CG PHE A 120 128.388 7.828 -0.749 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.598 7.669 0.618 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.434 7.566 -1.613 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.833 7.259 1.097 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.657 7.160 -1.138 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.857 7.007 0.216 1.00 0.00 C ATOM 0 H PHE A 120 125.128 9.436 -2.345 1.00 0.00 H new ATOM 0 HA PHE A 120 126.736 10.040 -0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.260 7.769 -0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.973 7.974 -2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.793 7.866 1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 120 129.288 7.682 -2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 120 129.990 7.138 2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.464 6.960 -1.828 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.820 6.688 0.586 1.00 0.00 H new ATOM 1953 N LEU A 121 127.999 10.751 -3.086 1.00 0.00 N ATOM 1954 CA LEU A 121 129.059 11.515 -3.738 1.00 0.00 C ATOM 1955 C LEU A 121 129.116 12.964 -3.256 1.00 0.00 C ATOM 1956 O LEU A 121 130.166 13.603 -3.316 1.00 0.00 O ATOM 1957 CB LEU A 121 128.965 11.419 -5.254 1.00 0.00 C ATOM 1958 CG LEU A 121 129.215 10.024 -5.808 1.00 0.00 C ATOM 1959 CD1 LEU A 121 129.102 10.015 -7.324 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.585 9.539 -5.362 1.00 0.00 C ATOM 0 H LEU A 121 127.292 10.379 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 121 130.004 11.059 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 121 127.975 11.750 -5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.685 12.108 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 121 128.456 9.346 -5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.285 9.007 -7.696 1.00 0.00 H new ATOM 0 HD12 LEU A 121 128.102 10.334 -7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 121 129.839 10.698 -7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.764 8.540 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.351 10.220 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.624 9.509 -4.273 1.00 0.00 H new ATOM 1972 N LYS A 122 127.990 13.479 -2.801 1.00 0.00 N ATOM 1973 CA LYS A 122 127.961 14.804 -2.160 1.00 0.00 C ATOM 1974 C LYS A 122 127.651 14.735 -0.648 1.00 0.00 C ATOM 1975 O LYS A 122 127.293 15.751 -0.030 1.00 0.00 O ATOM 1976 CB LYS A 122 126.997 15.759 -2.878 1.00 0.00 C ATOM 1977 CG LYS A 122 127.679 16.727 -3.841 1.00 0.00 C ATOM 1978 CD LYS A 122 128.456 16.016 -4.930 1.00 0.00 C ATOM 1979 CE LYS A 122 129.271 16.995 -5.758 1.00 0.00 C ATOM 1980 NZ LYS A 122 128.422 17.976 -6.478 1.00 0.00 N ATOM 0 H LYS A 122 127.084 13.014 -2.857 1.00 0.00 H new ATOM 0 HA LYS A 122 128.970 15.206 -2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 122 126.264 15.171 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 122 126.448 16.333 -2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 122 126.926 17.370 -4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 122 128.354 17.374 -3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 122 129.119 15.276 -4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 122 127.766 15.475 -5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 122 129.963 17.528 -5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 122 129.873 16.442 -6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 129.018 18.566 -7.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 127.722 17.470 -7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 127.930 18.581 -5.790 1.00 0.00 H new ATOM 1994 N SER A 123 127.778 13.555 -0.061 1.00 0.00 N ATOM 1995 CA SER A 123 127.551 13.375 1.370 1.00 0.00 C ATOM 1996 C SER A 123 128.720 13.903 2.166 1.00 0.00 C ATOM 1997 O SER A 123 129.837 13.962 1.663 1.00 0.00 O ATOM 1998 CB SER A 123 127.344 11.896 1.717 1.00 0.00 C ATOM 1999 OG SER A 123 128.529 11.128 1.505 1.00 0.00 O ATOM 0 H SER A 123 128.039 12.701 -0.555 1.00 0.00 H new ATOM 0 HA SER A 123 126.650 13.932 1.627 1.00 0.00 H new ATOM 0 HB2 SER A 123 127.036 11.807 2.759 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.535 11.490 1.109 1.00 0.00 H new ATOM 0 HG SER A 123 128.601 10.893 0.556 1.00 0.00 H new ATOM 2005 N ASP A 124 128.467 14.204 3.419 1.00 0.00 N ATOM 2006 CA ASP A 124 129.467 14.741 4.339 1.00 0.00 C ATOM 2007 C ASP A 124 130.561 13.730 4.524 1.00 0.00 C ATOM 2008 O ASP A 124 131.739 14.075 4.581 1.00 0.00 O ATOM 2009 CB ASP A 124 128.852 14.985 5.731 1.00 0.00 C ATOM 2010 CG ASP A 124 127.698 15.953 5.777 1.00 0.00 C ATOM 2011 OD1 ASP A 124 126.686 15.751 5.043 1.00 0.00 O ATOM 2012 OD2 ASP A 124 127.757 16.924 6.583 1.00 0.00 O ATOM 0 H ASP A 124 127.547 14.084 3.843 1.00 0.00 H new ATOM 0 HA ASP A 124 129.842 15.675 3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 124 128.516 14.029 6.132 1.00 0.00 H new ATOM 0 HB3 ASP A 124 129.635 15.351 6.395 1.00 0.00 H new ATOM 2017 N ILE A 125 130.161 12.471 4.611 1.00 0.00 N ATOM 2018 CA ILE A 125 131.087 11.398 4.883 1.00 0.00 C ATOM 2019 C ILE A 125 132.043 11.204 3.678 1.00 0.00 C ATOM 2020 O ILE A 125 133.259 11.081 3.863 1.00 0.00 O ATOM 2021 CB ILE A 125 130.317 10.068 5.321 1.00 0.00 C ATOM 2022 CG1 ILE A 125 131.205 9.076 6.134 1.00 0.00 C ATOM 2023 CG2 ILE A 125 129.649 9.354 4.150 1.00 0.00 C ATOM 2024 CD1 ILE A 125 132.341 8.413 5.383 1.00 0.00 C ATOM 0 H ILE A 125 129.193 12.172 4.495 1.00 0.00 H new ATOM 0 HA ILE A 125 131.712 11.662 5.736 1.00 0.00 H new ATOM 0 HB ILE A 125 129.530 10.417 5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 125 131.626 9.613 6.984 1.00 0.00 H new ATOM 0 HG13 ILE A 125 130.561 8.295 6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 125 129.143 8.459 4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 125 128.922 10.020 3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 125 130.405 9.073 3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 125 132.883 7.748 6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 125 131.939 7.837 4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 125 133.020 9.176 5.003 1.00 0.00 H new ATOM 2036 N TYR A 126 131.511 11.268 2.454 1.00 0.00 N ATOM 2037 CA TYR A 126 132.342 11.102 1.268 1.00 0.00 C ATOM 2038 C TYR A 126 133.123 12.372 0.975 1.00 0.00 C ATOM 2039 O TYR A 126 134.279 12.309 0.570 1.00 0.00 O ATOM 2040 CB TYR A 126 131.527 10.660 0.054 1.00 0.00 C ATOM 2041 CG TYR A 126 132.344 10.422 -1.213 1.00 0.00 C ATOM 2042 CD1 TYR A 126 133.225 9.356 -1.298 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.249 11.274 -2.304 1.00 0.00 C ATOM 2044 CE1 TYR A 126 133.976 9.137 -2.426 1.00 0.00 C ATOM 2045 CE2 TYR A 126 133.002 11.069 -3.435 1.00 0.00 C ATOM 2046 CZ TYR A 126 133.858 10.001 -3.496 1.00 0.00 C ATOM 2047 OH TYR A 126 134.624 9.813 -4.620 1.00 0.00 O ATOM 0 H TYR A 126 130.522 11.431 2.264 1.00 0.00 H new ATOM 0 HA TYR A 126 133.054 10.304 1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 126 130.996 9.742 0.305 1.00 0.00 H new ATOM 0 HB3 TYR A 126 130.772 11.418 -0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 126 133.323 8.683 -0.459 1.00 0.00 H new ATOM 0 HD2 TYR A 126 131.571 12.114 -2.264 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.653 8.297 -2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 126 132.919 11.747 -4.272 1.00 0.00 H new ATOM 0 HH TYR A 126 135.308 9.135 -4.440 1.00 0.00 H new ATOM 2057 N LEU A 127 132.516 13.518 1.215 1.00 0.00 N ATOM 2058 CA LEU A 127 133.197 14.791 1.042 1.00 0.00 C ATOM 2059 C LEU A 127 134.348 14.924 2.051 1.00 0.00 C ATOM 2060 O LEU A 127 135.351 15.624 1.807 1.00 0.00 O ATOM 2061 CB LEU A 127 132.205 15.970 1.120 1.00 0.00 C ATOM 2062 CG LEU A 127 131.206 16.102 -0.037 1.00 0.00 C ATOM 2063 CD1 LEU A 127 130.396 17.379 0.093 1.00 0.00 C ATOM 2064 CD2 LEU A 127 131.902 16.023 -1.392 1.00 0.00 C ATOM 0 H LEU A 127 131.549 13.596 1.531 1.00 0.00 H new ATOM 0 HA LEU A 127 133.634 14.821 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 127 131.641 15.881 2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 127 132.779 16.895 1.183 1.00 0.00 H new ATOM 0 HG LEU A 127 130.518 15.258 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 127 129.695 17.451 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 127 129.845 17.366 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 127 131.066 18.238 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 127 131.163 16.120 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.631 16.829 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 127 132.410 15.063 -1.485 1.00 0.00 H new ATOM 2076 N ASP A 128 134.217 14.223 3.164 1.00 0.00 N ATOM 2077 CA ASP A 128 135.278 14.125 4.159 1.00 0.00 C ATOM 2078 C ASP A 128 136.421 13.291 3.602 1.00 0.00 C ATOM 2079 O ASP A 128 137.584 13.639 3.753 1.00 0.00 O ATOM 2080 CB ASP A 128 134.764 13.501 5.453 1.00 0.00 C ATOM 2081 CG ASP A 128 135.840 13.347 6.506 1.00 0.00 C ATOM 2082 OD1 ASP A 128 136.531 12.301 6.523 1.00 0.00 O ATOM 2083 OD2 ASP A 128 135.979 14.245 7.363 1.00 0.00 O ATOM 0 H ASP A 128 133.373 13.704 3.406 1.00 0.00 H new ATOM 0 HA ASP A 128 135.632 15.131 4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 128 133.959 14.118 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 128 134.337 12.523 5.233 1.00 0.00 H new ATOM 2088 N LEU A 129 136.070 12.210 2.912 1.00 0.00 N ATOM 2089 CA LEU A 129 137.068 11.339 2.283 1.00 0.00 C ATOM 2090 C LEU A 129 137.795 12.144 1.199 1.00 0.00 C ATOM 2091 O LEU A 129 139.004 11.999 0.996 1.00 0.00 O ATOM 2092 CB LEU A 129 136.399 10.107 1.627 1.00 0.00 C ATOM 2093 CG LEU A 129 135.346 9.351 2.458 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.675 8.294 1.627 1.00 0.00 C ATOM 2095 CD2 LEU A 129 135.943 8.713 3.692 1.00 0.00 C ATOM 0 H LEU A 129 135.104 11.913 2.772 1.00 0.00 H new ATOM 0 HA LEU A 129 137.763 10.988 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 129 135.927 10.433 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.184 9.402 1.354 1.00 0.00 H new ATOM 0 HG LEU A 129 134.611 10.089 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.934 7.771 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.183 8.760 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.421 7.583 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 129 135.162 8.191 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.715 8.002 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.383 9.485 4.324 1.00 0.00 H new ATOM 2107 N MET A 130 137.022 13.004 0.526 1.00 0.00 N ATOM 2108 CA MET A 130 137.517 13.875 -0.537 1.00 0.00 C ATOM 2109 C MET A 130 138.450 14.949 -0.010 1.00 0.00 C ATOM 2110 O MET A 130 139.651 14.919 -0.258 1.00 0.00 O ATOM 2111 CB MET A 130 136.357 14.561 -1.300 1.00 0.00 C ATOM 2112 CG MET A 130 135.418 13.664 -2.118 1.00 0.00 C ATOM 2113 SD MET A 130 136.212 12.838 -3.522 1.00 0.00 S ATOM 2114 CE MET A 130 137.177 11.575 -2.718 1.00 0.00 C ATOM 0 H MET A 130 136.025 13.113 0.709 1.00 0.00 H new ATOM 0 HA MET A 130 138.070 13.227 -1.217 1.00 0.00 H new ATOM 0 HB2 MET A 130 135.753 15.106 -0.575 1.00 0.00 H new ATOM 0 HB3 MET A 130 136.789 15.300 -1.975 1.00 0.00 H new ATOM 0 HG2 MET A 130 134.992 12.907 -1.459 1.00 0.00 H new ATOM 0 HG3 MET A 130 134.589 14.267 -2.488 1.00 0.00 H new ATOM 0 HE1 MET A 130 138.238 11.789 -2.849 1.00 0.00 H new ATOM 0 HE2 MET A 130 136.939 11.557 -1.654 1.00 0.00 H new ATOM 0 HE3 MET A 130 136.945 10.605 -3.158 1.00 0.00 H new