USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 710 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 13 MET CE :methyl -152:sc= -0.0804 (180deg=-0.507) USER MOD Set 1.2: A 14 ASN : amide:sc= -1.23 K(o=-1.3,f=-1.9) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.171 F(o=-2.7,f=-0.17) USER MOD Single : A 18 LYS NZ :NH3+ -137:sc=-0.00317 (180deg=-0.523) USER MOD Single : A 20 SER OG : rot 76:sc= -0.377 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -3.93! C(o=-4.8!,f=-3.9!) USER MOD Single : A 30 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.6!) USER MOD Single : A 31 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-4.3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 151:sc= -0.209 (180deg=-1.64!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.7!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.591 F(o=-1.3,f=-0.59) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.96! C(o=-3!,f=-7.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -6.94! C(o=-6.9!,f=-7.3!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0202 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= -0.219 (180deg=-1.32!) USER MOD Single : A 63 GLN : amide:sc= -1.31 K(o=-1.3,f=-4.9!) USER MOD Single : A 64 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.063) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.427 F(o=-1.5,f=-0.43) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 97:sc= 0.173 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0139 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.844 -6.489 -7.016 1.00 0.00 N ATOM 60 CA GLY A 7 -12.111 -5.266 -7.295 1.00 0.00 C ATOM 61 C GLY A 7 -10.897 -5.131 -6.373 1.00 0.00 C ATOM 62 O GLY A 7 -11.046 -4.885 -5.177 1.00 0.00 O ATOM 0 HA2 GLY A 7 -11.784 -5.263 -8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.768 -4.406 -7.165 1.00 0.00 H new ATOM 66 N PRO A 8 -9.692 -5.303 -6.980 1.00 0.00 N ATOM 67 CA PRO A 8 -8.454 -5.203 -6.227 1.00 0.00 C ATOM 68 C PRO A 8 -8.123 -3.744 -5.906 1.00 0.00 C ATOM 69 O PRO A 8 -8.307 -2.863 -6.745 1.00 0.00 O ATOM 70 CB PRO A 8 -7.406 -5.871 -7.102 1.00 0.00 C ATOM 71 CG PRO A 8 -7.994 -5.905 -8.503 1.00 0.00 C ATOM 72 CD PRO A 8 -9.478 -5.596 -8.394 1.00 0.00 C ATOM 0 HA PRO A 8 -8.513 -5.692 -5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.470 -5.313 -7.085 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.184 -6.877 -6.747 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.498 -5.175 -9.143 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.840 -6.884 -8.958 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.753 -4.747 -9.020 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.084 -6.442 -8.719 1.00 0.00 H new ATOM 80 N LYS A 9 -7.641 -3.533 -4.690 1.00 0.00 N ATOM 81 CA LYS A 9 -7.283 -2.196 -4.248 1.00 0.00 C ATOM 82 C LYS A 9 -5.771 -2.008 -4.381 1.00 0.00 C ATOM 83 O LYS A 9 -4.997 -2.659 -3.681 1.00 0.00 O ATOM 84 CB LYS A 9 -7.814 -1.938 -2.837 1.00 0.00 C ATOM 85 CG LYS A 9 -8.974 -0.941 -2.860 1.00 0.00 C ATOM 86 CD LYS A 9 -9.112 -0.229 -1.513 1.00 0.00 C ATOM 87 CE LYS A 9 -10.492 0.418 -1.374 1.00 0.00 C ATOM 88 NZ LYS A 9 -10.735 0.825 0.028 1.00 0.00 N ATOM 0 H LYS A 9 -7.490 -4.266 -3.997 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.755 -1.446 -4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.145 -2.876 -2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.012 -1.553 -2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.811 -0.206 -3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.902 -1.462 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.957 -0.942 -0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.338 0.533 -1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.560 1.287 -2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.263 -0.283 -1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.676 1.262 0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.691 -0.011 0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.010 1.510 0.321 1.00 0.00 H new ATOM 102 N LYS A 10 -5.395 -1.114 -5.284 1.00 0.00 N ATOM 103 CA LYS A 10 -3.989 -0.831 -5.517 1.00 0.00 C ATOM 104 C LYS A 10 -3.249 -0.807 -4.178 1.00 0.00 C ATOM 105 O LYS A 10 -3.374 0.147 -3.413 1.00 0.00 O ATOM 106 CB LYS A 10 -3.829 0.454 -6.332 1.00 0.00 C ATOM 107 CG LYS A 10 -2.753 0.291 -7.408 1.00 0.00 C ATOM 108 CD LYS A 10 -3.332 -0.360 -8.666 1.00 0.00 C ATOM 109 CE LYS A 10 -3.240 0.586 -9.864 1.00 0.00 C ATOM 110 NZ LYS A 10 -4.582 1.100 -10.222 1.00 0.00 N ATOM 0 H LYS A 10 -6.040 -0.576 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.536 -1.620 -6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.779 0.713 -6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.564 1.278 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.333 1.265 -7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.936 -0.318 -7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.793 -1.282 -8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.373 -0.633 -8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.576 1.418 -9.628 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.805 0.063 -10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.502 1.741 -11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.205 0.304 -10.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.983 1.617 -9.413 1.00 0.00 H new ATOM 124 N PRO A 11 -2.475 -1.898 -3.930 1.00 0.00 N ATOM 125 CA PRO A 11 -1.715 -2.011 -2.697 1.00 0.00 C ATOM 126 C PRO A 11 -0.485 -1.101 -2.726 1.00 0.00 C ATOM 127 O PRO A 11 -0.174 -0.504 -3.755 1.00 0.00 O ATOM 128 CB PRO A 11 -1.361 -3.485 -2.587 1.00 0.00 C ATOM 129 CG PRO A 11 -1.532 -4.060 -3.983 1.00 0.00 C ATOM 130 CD PRO A 11 -2.304 -3.048 -4.813 1.00 0.00 C ATOM 0 HA PRO A 11 -2.279 -1.684 -1.823 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.338 -3.616 -2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.012 -3.991 -1.874 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.561 -4.262 -4.434 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.068 -5.008 -3.942 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.757 -2.776 -5.716 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.266 -3.449 -5.132 1.00 0.00 H new ATOM 138 N PRO A 12 0.199 -1.023 -1.553 1.00 0.00 N ATOM 139 CA PRO A 12 1.388 -0.196 -1.434 1.00 0.00 C ATOM 140 C PRO A 12 2.584 -0.852 -2.127 1.00 0.00 C ATOM 141 O PRO A 12 2.506 -2.006 -2.547 1.00 0.00 O ATOM 142 CB PRO A 12 1.594 -0.016 0.061 1.00 0.00 C ATOM 143 CG PRO A 12 0.794 -1.122 0.729 1.00 0.00 C ATOM 144 CD PRO A 12 -0.140 -1.716 -0.313 1.00 0.00 C ATOM 0 HA PRO A 12 1.279 0.770 -1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.650 -0.087 0.321 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.251 0.966 0.387 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.460 -1.888 1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.225 -0.727 1.571 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.006 -2.792 -0.408 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.185 -1.559 -0.044 1.00 0.00 H new ATOM 152 N MET A 13 3.662 -0.089 -2.227 1.00 0.00 N ATOM 153 CA MET A 13 4.872 -0.582 -2.862 1.00 0.00 C ATOM 154 C MET A 13 6.116 -0.150 -2.082 1.00 0.00 C ATOM 155 O MET A 13 7.154 0.140 -2.674 1.00 0.00 O ATOM 156 CB MET A 13 4.954 -0.044 -4.292 1.00 0.00 C ATOM 157 CG MET A 13 4.871 1.484 -4.309 1.00 0.00 C ATOM 158 SD MET A 13 5.585 2.117 -5.817 1.00 0.00 S ATOM 159 CE MET A 13 7.319 1.892 -5.458 1.00 0.00 C ATOM 0 H MET A 13 3.723 0.868 -1.879 1.00 0.00 H new ATOM 0 HA MET A 13 4.835 -1.671 -2.876 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.888 -0.366 -4.752 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.143 -0.462 -4.889 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.831 1.801 -4.228 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.397 1.895 -3.447 1.00 0.00 H new ATOM 0 HE1 MET A 13 7.903 2.635 -6.002 1.00 0.00 H new ATOM 0 HE2 MET A 13 7.487 2.011 -4.388 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.627 0.893 -5.765 1.00 0.00 H new ATOM 169 N ASN A 14 5.969 -0.121 -0.766 1.00 0.00 N ATOM 170 CA ASN A 14 7.067 0.271 0.101 1.00 0.00 C ATOM 171 C ASN A 14 6.658 0.064 1.561 1.00 0.00 C ATOM 172 O ASN A 14 5.531 0.375 1.943 1.00 0.00 O ATOM 173 CB ASN A 14 7.418 1.748 -0.087 1.00 0.00 C ATOM 174 CG ASN A 14 8.569 1.916 -1.081 1.00 0.00 C ATOM 175 OD1 ASN A 14 9.561 1.207 -1.048 1.00 0.00 O ATOM 176 ND2 ASN A 14 8.382 2.892 -1.965 1.00 0.00 N ATOM 0 H ASN A 14 5.106 -0.363 -0.279 1.00 0.00 H new ATOM 0 HA ASN A 14 7.932 -0.340 -0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.543 2.291 -0.444 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.695 2.185 0.873 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.093 3.084 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.528 3.449 -1.937 1.00 0.00 H new ATOM 183 N GLY A 15 7.596 -0.459 2.337 1.00 0.00 N ATOM 184 CA GLY A 15 7.347 -0.710 3.746 1.00 0.00 C ATOM 185 C GLY A 15 6.600 0.460 4.388 1.00 0.00 C ATOM 186 O GLY A 15 5.606 0.260 5.085 1.00 0.00 O ATOM 0 H GLY A 15 8.530 -0.716 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.764 -1.624 3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.293 -0.870 4.263 1.00 0.00 H new ATOM 190 N TYR A 16 7.108 1.657 4.131 1.00 0.00 N ATOM 191 CA TYR A 16 6.501 2.860 4.676 1.00 0.00 C ATOM 192 C TYR A 16 5.032 2.969 4.261 1.00 0.00 C ATOM 193 O TYR A 16 4.142 2.962 5.110 1.00 0.00 O ATOM 194 CB TYR A 16 7.277 4.033 4.074 1.00 0.00 C ATOM 195 CG TYR A 16 6.728 5.407 4.462 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.428 5.683 5.781 1.00 0.00 C ATOM 197 CD2 TYR A 16 6.531 6.371 3.493 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.911 6.977 6.146 1.00 0.00 C ATOM 199 CE2 TYR A 16 6.014 7.664 3.859 1.00 0.00 C ATOM 200 CZ TYR A 16 5.730 7.903 5.167 1.00 0.00 C ATOM 201 OH TYR A 16 5.241 9.125 5.512 1.00 0.00 O ATOM 0 H TYR A 16 7.933 1.819 3.553 1.00 0.00 H new ATOM 0 HA TYR A 16 6.538 2.849 5.765 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.318 3.967 4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.267 3.943 2.988 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.581 4.929 6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.765 6.155 2.461 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.673 7.206 7.174 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.855 8.427 3.111 1.00 0.00 H new ATOM 0 HH TYR A 16 5.165 9.685 4.711 1.00 0.00 H new ATOM 211 N GLN A 17 4.825 3.068 2.957 1.00 0.00 N ATOM 212 CA GLN A 17 3.479 3.178 2.419 1.00 0.00 C ATOM 213 C GLN A 17 2.575 2.104 3.027 1.00 0.00 C ATOM 214 O GLN A 17 1.368 2.305 3.158 1.00 0.00 O ATOM 215 CB GLN A 17 3.489 3.087 0.892 1.00 0.00 C ATOM 216 CG GLN A 17 4.042 4.370 0.270 1.00 0.00 C ATOM 217 CD GLN A 17 3.831 4.380 -1.246 1.00 0.00 C ATOM 218 OE1 GLN A 17 4.152 3.237 -1.844 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 3.404 5.361 -1.833 1.00 0.00 N flip ATOM 0 H GLN A 17 5.566 3.074 2.256 1.00 0.00 H new ATOM 0 HA GLN A 17 3.080 4.156 2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.095 2.237 0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.477 2.909 0.528 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.550 5.235 0.715 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.105 4.458 0.493 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.177 6.208 -1.312 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.274 5.334 -2.844 1.00 0.00 H new ATOM 228 N LYS A 18 3.193 0.987 3.382 1.00 0.00 N ATOM 229 CA LYS A 18 2.459 -0.119 3.972 1.00 0.00 C ATOM 230 C LYS A 18 2.074 0.239 5.409 1.00 0.00 C ATOM 231 O LYS A 18 0.892 0.371 5.724 1.00 0.00 O ATOM 232 CB LYS A 18 3.261 -1.417 3.856 1.00 0.00 C ATOM 233 CG LYS A 18 2.580 -2.553 4.622 1.00 0.00 C ATOM 234 CD LYS A 18 1.858 -3.504 3.666 1.00 0.00 C ATOM 235 CE LYS A 18 0.706 -4.222 4.372 1.00 0.00 C ATOM 236 NZ LYS A 18 0.325 -5.445 3.630 1.00 0.00 N ATOM 0 H LYS A 18 4.194 0.824 3.272 1.00 0.00 H new ATOM 0 HA LYS A 18 1.532 -0.294 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.364 -1.692 2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.267 -1.263 4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.323 -3.105 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.868 -2.139 5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.474 -2.945 2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.563 -4.237 3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.001 -4.483 5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.152 -3.555 4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.712 -5.515 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.711 -5.400 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.708 -6.280 4.117 1.00 0.00 H new ATOM 250 N PHE A 19 3.094 0.387 6.242 1.00 0.00 N ATOM 251 CA PHE A 19 2.877 0.728 7.637 1.00 0.00 C ATOM 252 C PHE A 19 1.874 1.876 7.772 1.00 0.00 C ATOM 253 O PHE A 19 0.964 1.816 8.598 1.00 0.00 O ATOM 254 CB PHE A 19 4.226 1.176 8.204 1.00 0.00 C ATOM 255 CG PHE A 19 4.119 2.002 9.487 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.633 1.433 10.623 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.509 3.304 9.492 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.534 2.200 11.814 1.00 0.00 C ATOM 259 CE2 PHE A 19 4.410 4.071 10.683 1.00 0.00 C ATOM 260 CZ PHE A 19 3.924 3.502 11.819 1.00 0.00 C ATOM 0 H PHE A 19 4.073 0.277 5.977 1.00 0.00 H new ATOM 0 HA PHE A 19 2.477 -0.133 8.172 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.836 0.295 8.402 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.749 1.763 7.449 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.323 0.399 10.619 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.894 3.755 8.590 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.149 1.749 12.716 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.720 5.105 10.687 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.848 4.085 12.725 1.00 0.00 H new ATOM 270 N SER A 20 2.075 2.894 6.949 1.00 0.00 N ATOM 271 CA SER A 20 1.200 4.054 6.966 1.00 0.00 C ATOM 272 C SER A 20 -0.259 3.611 6.841 1.00 0.00 C ATOM 273 O SER A 20 -1.073 3.888 7.720 1.00 0.00 O ATOM 274 CB SER A 20 1.557 5.030 5.842 1.00 0.00 C ATOM 275 OG SER A 20 2.832 5.633 6.044 1.00 0.00 O ATOM 0 H SER A 20 2.831 2.940 6.266 1.00 0.00 H new ATOM 0 HA SER A 20 1.336 4.571 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.553 4.502 4.888 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.794 5.806 5.780 1.00 0.00 H new ATOM 0 HG SER A 20 3.537 4.991 5.819 1.00 0.00 H new ATOM 281 N GLN A 21 -0.545 2.930 5.741 1.00 0.00 N ATOM 282 CA GLN A 21 -1.892 2.446 5.490 1.00 0.00 C ATOM 283 C GLN A 21 -2.484 1.840 6.763 1.00 0.00 C ATOM 284 O GLN A 21 -3.689 1.930 6.996 1.00 0.00 O ATOM 285 CB GLN A 21 -1.905 1.433 4.343 1.00 0.00 C ATOM 286 CG GLN A 21 -2.369 2.086 3.040 1.00 0.00 C ATOM 287 CD GLN A 21 -3.209 1.114 2.208 1.00 0.00 C ATOM 288 OE1 GLN A 21 -4.380 0.888 2.465 1.00 0.00 O ATOM 289 NE2 GLN A 21 -2.547 0.555 1.199 1.00 0.00 N ATOM 0 H GLN A 21 0.133 2.702 5.014 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.512 3.292 5.192 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.907 1.016 4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.566 0.603 4.593 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.954 2.978 3.264 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.503 2.410 2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.567 0.789 1.040 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.019 -0.108 0.584 1.00 0.00 H new ATOM 298 N GLU A 22 -1.610 1.235 7.555 1.00 0.00 N ATOM 299 CA GLU A 22 -2.032 0.614 8.799 1.00 0.00 C ATOM 300 C GLU A 22 -2.588 1.669 9.757 1.00 0.00 C ATOM 301 O GLU A 22 -3.611 1.448 10.403 1.00 0.00 O ATOM 302 CB GLU A 22 -0.880 -0.159 9.444 1.00 0.00 C ATOM 303 CG GLU A 22 -1.376 -1.469 10.060 1.00 0.00 C ATOM 304 CD GLU A 22 -0.604 -2.666 9.499 1.00 0.00 C ATOM 305 OE1 GLU A 22 -0.555 -2.777 8.255 1.00 0.00 O ATOM 306 OE2 GLU A 22 -0.081 -3.442 10.327 1.00 0.00 O ATOM 0 H GLU A 22 -0.612 1.162 7.359 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.825 -0.100 8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.116 -0.371 8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.411 0.454 10.214 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.260 -1.432 11.143 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.440 -1.590 9.857 1.00 0.00 H new ATOM 313 N LEU A 23 -1.890 2.793 9.818 1.00 0.00 N ATOM 314 CA LEU A 23 -2.301 3.883 10.687 1.00 0.00 C ATOM 315 C LEU A 23 -3.578 4.518 10.132 1.00 0.00 C ATOM 316 O LEU A 23 -4.370 5.085 10.882 1.00 0.00 O ATOM 317 CB LEU A 23 -1.154 4.877 10.879 1.00 0.00 C ATOM 318 CG LEU A 23 0.069 4.352 11.634 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.365 4.873 11.009 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.022 4.686 13.124 1.00 0.00 C ATOM 0 H LEU A 23 -1.042 2.973 9.280 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.537 3.508 11.683 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.830 5.221 9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.539 5.747 11.411 1.00 0.00 H new ATOM 0 HG LEU A 23 0.083 3.266 11.547 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.219 4.485 11.565 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.427 4.543 9.972 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.374 5.962 11.045 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.859 4.302 13.637 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.074 5.767 13.252 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.916 4.227 13.546 1.00 0.00 H new ATOM 332 N LEU A 24 -3.738 4.400 8.822 1.00 0.00 N ATOM 333 CA LEU A 24 -4.905 4.955 8.157 1.00 0.00 C ATOM 334 C LEU A 24 -6.095 4.015 8.356 1.00 0.00 C ATOM 335 O LEU A 24 -7.245 4.452 8.348 1.00 0.00 O ATOM 336 CB LEU A 24 -4.595 5.253 6.689 1.00 0.00 C ATOM 337 CG LEU A 24 -3.589 6.377 6.430 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.623 6.815 4.965 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.821 7.550 7.384 1.00 0.00 C ATOM 0 H LEU A 24 -3.079 3.928 8.203 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.177 5.912 8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.218 4.341 6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.528 5.504 6.185 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.588 5.993 6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.899 7.615 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.373 5.968 4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.621 7.175 4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.093 8.335 7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.828 7.942 7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.708 7.210 8.413 1.00 0.00 H new ATOM 351 N SER A 25 -5.778 2.740 8.531 1.00 0.00 N ATOM 352 CA SER A 25 -6.807 1.734 8.732 1.00 0.00 C ATOM 353 C SER A 25 -7.011 1.486 10.228 1.00 0.00 C ATOM 354 O SER A 25 -8.058 0.988 10.641 1.00 0.00 O ATOM 355 CB SER A 25 -6.446 0.428 8.022 1.00 0.00 C ATOM 356 OG SER A 25 -7.593 -0.383 7.780 1.00 0.00 O ATOM 0 H SER A 25 -4.823 2.381 8.538 1.00 0.00 H new ATOM 0 HA SER A 25 -7.737 2.105 8.302 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.955 0.654 7.075 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.730 -0.128 8.627 1.00 0.00 H new ATOM 0 HG SER A 25 -7.321 -1.207 7.324 1.00 0.00 H new ATOM 362 N ASN A 26 -5.995 1.845 10.999 1.00 0.00 N ATOM 363 CA ASN A 26 -6.051 1.667 12.440 1.00 0.00 C ATOM 364 C ASN A 26 -6.947 2.747 13.049 1.00 0.00 C ATOM 365 O ASN A 26 -7.944 2.438 13.700 1.00 0.00 O ATOM 366 CB ASN A 26 -4.660 1.799 13.065 1.00 0.00 C ATOM 367 CG ASN A 26 -3.825 0.542 12.813 1.00 0.00 C ATOM 368 OD1 ASN A 26 -2.542 0.787 12.559 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -4.312 -0.576 12.848 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.129 2.258 10.653 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.445 0.671 12.642 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.151 2.668 12.648 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.754 1.969 14.138 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.305 -0.694 13.049 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.726 -1.393 12.676 1.00 0.00 H new ATOM 376 N GLY A 27 -6.560 3.993 12.815 1.00 0.00 N ATOM 377 CA GLY A 27 -7.316 5.121 13.332 1.00 0.00 C ATOM 378 C GLY A 27 -6.640 5.713 14.570 1.00 0.00 C ATOM 379 O GLY A 27 -7.303 6.305 15.421 1.00 0.00 O ATOM 0 H GLY A 27 -5.733 4.246 12.274 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.406 5.887 12.561 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.327 4.801 13.583 1.00 0.00 H new ATOM 383 N GLU A 28 -5.329 5.533 14.632 1.00 0.00 N ATOM 384 CA GLU A 28 -4.555 6.042 15.752 1.00 0.00 C ATOM 385 C GLU A 28 -4.374 7.556 15.627 1.00 0.00 C ATOM 386 O GLU A 28 -4.092 8.234 16.613 1.00 0.00 O ATOM 387 CB GLU A 28 -3.202 5.334 15.850 1.00 0.00 C ATOM 388 CG GLU A 28 -3.280 3.920 15.272 1.00 0.00 C ATOM 389 CD GLU A 28 -2.382 2.958 16.053 1.00 0.00 C ATOM 390 OE1 GLU A 28 -2.871 2.427 17.073 1.00 0.00 O ATOM 391 OE2 GLU A 28 -1.227 2.775 15.611 1.00 0.00 O ATOM 0 H GLU A 28 -4.783 5.042 13.925 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.103 5.836 16.671 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.447 5.909 15.314 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.886 5.288 16.892 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.311 3.567 15.303 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.979 3.934 14.224 1.00 0.00 H new ATOM 398 N LEU A 29 -4.544 8.042 14.406 1.00 0.00 N ATOM 399 CA LEU A 29 -4.403 9.463 14.139 1.00 0.00 C ATOM 400 C LEU A 29 -5.667 9.975 13.446 1.00 0.00 C ATOM 401 O LEU A 29 -5.590 10.801 12.538 1.00 0.00 O ATOM 402 CB LEU A 29 -3.118 9.736 13.355 1.00 0.00 C ATOM 403 CG LEU A 29 -2.051 8.641 13.413 1.00 0.00 C ATOM 404 CD1 LEU A 29 -1.104 8.734 12.216 1.00 0.00 C ATOM 405 CD2 LEU A 29 -1.298 8.679 14.745 1.00 0.00 C ATOM 0 H LEU A 29 -4.778 7.476 13.590 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.303 10.018 15.072 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.382 9.904 12.311 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.680 10.663 13.726 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.550 7.674 13.353 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.356 7.944 12.282 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.672 8.619 11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.608 9.705 12.219 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.546 7.891 14.760 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.811 9.647 14.860 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.000 8.526 15.564 1.00 0.00 H new ATOM 417 N ASN A 30 -6.802 9.464 13.901 1.00 0.00 N ATOM 418 CA ASN A 30 -8.080 9.860 13.336 1.00 0.00 C ATOM 419 C ASN A 30 -8.666 11.006 14.164 1.00 0.00 C ATOM 420 O ASN A 30 -9.868 11.262 14.113 1.00 0.00 O ATOM 421 CB ASN A 30 -9.077 8.700 13.364 1.00 0.00 C ATOM 422 CG ASN A 30 -8.974 7.858 12.091 1.00 0.00 C ATOM 423 OD1 ASN A 30 -8.116 8.062 11.248 1.00 0.00 O ATOM 424 ND2 ASN A 30 -9.894 6.902 11.998 1.00 0.00 N ATOM 0 H ASN A 30 -6.863 8.779 14.655 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.912 10.167 12.304 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.887 8.073 14.235 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.090 9.089 13.466 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.909 6.286 11.185 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.584 6.785 12.740 1.00 0.00 H new ATOM 431 N HIS A 31 -7.789 11.666 14.906 1.00 0.00 N ATOM 432 CA HIS A 31 -8.204 12.779 15.743 1.00 0.00 C ATOM 433 C HIS A 31 -7.758 14.096 15.104 1.00 0.00 C ATOM 434 O HIS A 31 -8.293 15.156 15.422 1.00 0.00 O ATOM 435 CB HIS A 31 -7.684 12.607 17.172 1.00 0.00 C ATOM 436 CG HIS A 31 -6.181 12.499 17.270 1.00 0.00 C ATOM 437 ND1 HIS A 31 -5.477 11.399 16.812 1.00 0.00 N ATOM 438 CD2 HIS A 31 -5.257 13.364 17.777 1.00 0.00 C ATOM 439 CE1 HIS A 31 -4.188 11.603 17.039 1.00 0.00 C ATOM 440 NE2 HIS A 31 -4.054 12.822 17.638 1.00 0.00 N ATOM 0 H HIS A 31 -6.793 11.451 14.945 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.291 12.800 15.814 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -8.017 13.453 17.773 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.131 11.712 17.605 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -5.469 14.327 18.217 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.385 10.924 16.793 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -3.174 13.246 17.931 1.00 0.00 H new ATOM 448 N LEU A 32 -6.781 13.984 14.215 1.00 0.00 N ATOM 449 CA LEU A 32 -6.257 15.153 13.529 1.00 0.00 C ATOM 450 C LEU A 32 -6.556 15.037 12.033 1.00 0.00 C ATOM 451 O LEU A 32 -6.993 13.988 11.563 1.00 0.00 O ATOM 452 CB LEU A 32 -4.772 15.340 13.847 1.00 0.00 C ATOM 453 CG LEU A 32 -4.073 14.150 14.509 1.00 0.00 C ATOM 454 CD1 LEU A 32 -3.724 13.076 13.478 1.00 0.00 C ATOM 455 CD2 LEU A 32 -2.846 14.607 15.300 1.00 0.00 C ATOM 0 H LEU A 32 -6.339 13.102 13.954 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.751 16.057 13.884 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.249 15.574 12.920 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.667 16.207 14.499 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.765 13.699 15.220 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.228 12.242 13.975 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.636 12.722 12.998 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.058 13.497 12.725 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.367 13.743 15.761 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.141 15.097 14.628 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.154 15.308 16.076 1.00 0.00 H new ATOM 467 N PRO A 33 -6.301 16.159 11.307 1.00 0.00 N ATOM 468 CA PRO A 33 -6.538 16.193 9.874 1.00 0.00 C ATOM 469 C PRO A 33 -5.455 15.418 9.121 1.00 0.00 C ATOM 470 O PRO A 33 -4.383 15.157 9.663 1.00 0.00 O ATOM 471 CB PRO A 33 -6.570 17.670 9.516 1.00 0.00 C ATOM 472 CG PRO A 33 -5.891 18.393 10.668 1.00 0.00 C ATOM 473 CD PRO A 33 -5.783 17.419 11.830 1.00 0.00 C ATOM 0 HA PRO A 33 -7.472 15.708 9.590 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.049 17.856 8.577 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.595 18.018 9.386 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.903 18.743 10.370 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.466 19.272 10.959 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.751 17.314 12.164 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.363 17.760 12.688 1.00 0.00 H new ATOM 481 N LEU A 34 -5.773 15.072 7.882 1.00 0.00 N ATOM 482 CA LEU A 34 -4.841 14.333 7.048 1.00 0.00 C ATOM 483 C LEU A 34 -3.467 15.003 7.110 1.00 0.00 C ATOM 484 O LEU A 34 -2.484 14.376 7.502 1.00 0.00 O ATOM 485 CB LEU A 34 -5.391 14.187 5.628 1.00 0.00 C ATOM 486 CG LEU A 34 -4.613 13.251 4.701 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.134 13.638 4.648 1.00 0.00 C ATOM 488 CD2 LEU A 34 -4.809 11.789 5.105 1.00 0.00 C ATOM 0 H LEU A 34 -6.664 15.290 7.436 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.718 13.317 7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.419 13.830 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.425 15.175 5.169 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.012 13.361 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.603 12.957 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.038 14.658 4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.705 13.575 5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.245 11.146 4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.455 11.643 6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.867 11.535 5.049 1.00 0.00 H new ATOM 500 N LYS A 35 -3.442 16.268 6.716 1.00 0.00 N ATOM 501 CA LYS A 35 -2.205 17.029 6.721 1.00 0.00 C ATOM 502 C LYS A 35 -1.389 16.659 7.961 1.00 0.00 C ATOM 503 O LYS A 35 -0.159 16.675 7.926 1.00 0.00 O ATOM 504 CB LYS A 35 -2.497 18.526 6.602 1.00 0.00 C ATOM 505 CG LYS A 35 -1.243 19.354 6.890 1.00 0.00 C ATOM 506 CD LYS A 35 -1.610 20.788 7.280 1.00 0.00 C ATOM 507 CE LYS A 35 -0.544 21.776 6.801 1.00 0.00 C ATOM 508 NZ LYS A 35 -0.591 23.018 7.605 1.00 0.00 N ATOM 0 H LYS A 35 -4.259 16.785 6.391 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.598 16.776 5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.863 18.750 5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.288 18.802 7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.673 18.889 7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.601 19.366 6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.575 21.051 6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.716 20.858 8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.444 21.322 6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.704 22.011 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.138 23.678 7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.528 23.459 7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.416 22.791 8.605 1.00 0.00 H new ATOM 522 N GLU A 36 -2.105 16.334 9.027 1.00 0.00 N ATOM 523 CA GLU A 36 -1.462 15.961 10.275 1.00 0.00 C ATOM 524 C GLU A 36 -1.209 14.452 10.311 1.00 0.00 C ATOM 525 O GLU A 36 -0.128 14.009 10.698 1.00 0.00 O ATOM 526 CB GLU A 36 -2.298 16.405 11.477 1.00 0.00 C ATOM 527 CG GLU A 36 -2.053 17.880 11.800 1.00 0.00 C ATOM 528 CD GLU A 36 -1.621 18.058 13.257 1.00 0.00 C ATOM 529 OE1 GLU A 36 -0.795 17.235 13.709 1.00 0.00 O ATOM 530 OE2 GLU A 36 -2.127 19.012 13.887 1.00 0.00 O ATOM 0 H GLU A 36 -3.125 16.321 9.052 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.501 16.473 10.333 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.356 16.246 11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.049 15.793 12.344 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.284 18.278 11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.962 18.453 11.614 1.00 0.00 H new ATOM 537 N ARG A 37 -2.224 13.704 9.903 1.00 0.00 N ATOM 538 CA ARG A 37 -2.125 12.255 9.884 1.00 0.00 C ATOM 539 C ARG A 37 -0.810 11.821 9.232 1.00 0.00 C ATOM 540 O ARG A 37 0.062 11.264 9.897 1.00 0.00 O ATOM 541 CB ARG A 37 -3.294 11.633 9.118 1.00 0.00 C ATOM 542 CG ARG A 37 -4.626 11.940 9.807 1.00 0.00 C ATOM 543 CD ARG A 37 -5.679 10.887 9.458 1.00 0.00 C ATOM 544 NE ARG A 37 -6.984 11.262 10.048 1.00 0.00 N ATOM 545 CZ ARG A 37 -8.165 10.802 9.613 1.00 0.00 C ATOM 546 NH1 ARG A 37 -8.213 9.948 8.581 1.00 0.00 N ATOM 547 NH2 ARG A 37 -9.298 11.196 10.209 1.00 0.00 N ATOM 0 H ARG A 37 -3.119 14.075 9.583 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.155 11.907 10.917 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.311 12.017 8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.156 10.554 9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.482 11.972 10.887 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.978 12.926 9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.772 10.798 8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.368 9.912 9.832 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.984 11.911 10.835 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.350 9.648 8.127 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.112 9.598 8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.262 11.846 10.994 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.197 10.846 9.878 1.00 0.00 H new ATOM 561 N MET A 38 -0.709 12.094 7.940 1.00 0.00 N ATOM 562 CA MET A 38 0.485 11.739 7.191 1.00 0.00 C ATOM 563 C MET A 38 1.750 12.116 7.965 1.00 0.00 C ATOM 564 O MET A 38 2.482 11.244 8.429 1.00 0.00 O ATOM 565 CB MET A 38 0.476 12.461 5.843 1.00 0.00 C ATOM 566 CG MET A 38 -0.474 11.775 4.859 1.00 0.00 C ATOM 567 SD MET A 38 0.419 10.581 3.879 1.00 0.00 S ATOM 568 CE MET A 38 0.031 9.089 4.778 1.00 0.00 C ATOM 0 H MET A 38 -1.434 12.557 7.392 1.00 0.00 H new ATOM 0 HA MET A 38 0.486 10.660 7.035 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.172 13.498 5.984 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.484 12.478 5.429 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.280 11.282 5.403 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.936 12.518 4.209 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.040 8.240 4.095 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.773 8.933 5.561 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.958 9.182 5.228 1.00 0.00 H new ATOM 578 N VAL A 39 1.968 13.418 8.080 1.00 0.00 N ATOM 579 CA VAL A 39 3.131 13.922 8.790 1.00 0.00 C ATOM 580 C VAL A 39 3.342 13.101 10.063 1.00 0.00 C ATOM 581 O VAL A 39 4.426 12.565 10.288 1.00 0.00 O ATOM 582 CB VAL A 39 2.970 15.419 9.063 1.00 0.00 C ATOM 583 CG1 VAL A 39 1.609 15.717 9.697 1.00 0.00 C ATOM 584 CG2 VAL A 39 4.109 15.942 9.939 1.00 0.00 C ATOM 0 H VAL A 39 1.359 14.139 7.693 1.00 0.00 H new ATOM 0 HA VAL A 39 4.028 13.812 8.180 1.00 0.00 H new ATOM 0 HB VAL A 39 3.016 15.941 8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.520 16.788 9.881 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.815 15.398 9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.521 15.178 10.641 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.970 17.008 10.118 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.109 15.411 10.891 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.061 15.780 9.433 1.00 0.00 H new ATOM 594 N GLU A 40 2.288 13.029 10.864 1.00 0.00 N ATOM 595 CA GLU A 40 2.344 12.283 12.109 1.00 0.00 C ATOM 596 C GLU A 40 2.887 10.874 11.860 1.00 0.00 C ATOM 597 O GLU A 40 3.681 10.363 12.648 1.00 0.00 O ATOM 598 CB GLU A 40 0.970 12.230 12.779 1.00 0.00 C ATOM 599 CG GLU A 40 1.102 11.992 14.284 1.00 0.00 C ATOM 600 CD GLU A 40 2.040 13.019 14.921 1.00 0.00 C ATOM 601 OE1 GLU A 40 1.740 14.225 14.783 1.00 0.00 O ATOM 602 OE2 GLU A 40 3.036 12.576 15.532 1.00 0.00 O ATOM 0 H GLU A 40 1.391 13.475 10.674 1.00 0.00 H new ATOM 0 HA GLU A 40 3.023 12.798 12.788 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.438 13.165 12.600 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.374 11.434 12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.120 12.051 14.753 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.481 10.986 14.465 1.00 0.00 H new ATOM 609 N ILE A 41 2.438 10.287 10.760 1.00 0.00 N ATOM 610 CA ILE A 41 2.868 8.948 10.397 1.00 0.00 C ATOM 611 C ILE A 41 4.372 8.960 10.113 1.00 0.00 C ATOM 612 O ILE A 41 5.138 8.263 10.775 1.00 0.00 O ATOM 613 CB ILE A 41 2.027 8.410 9.238 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.550 8.327 9.625 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.568 7.066 8.745 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.347 8.429 8.389 1.00 0.00 C ATOM 0 H ILE A 41 1.780 10.715 10.108 1.00 0.00 H new ATOM 0 HA ILE A 41 2.705 8.258 11.225 1.00 0.00 H new ATOM 0 HB ILE A 41 2.103 9.111 8.407 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.358 7.387 10.142 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.307 9.129 10.322 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.952 6.706 7.921 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.595 7.191 8.402 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.543 6.343 9.560 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.392 8.367 8.692 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.170 9.381 7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.119 7.612 7.705 1.00 0.00 H new ATOM 628 N GLY A 42 4.749 9.760 9.126 1.00 0.00 N ATOM 629 CA GLY A 42 6.146 9.872 8.746 1.00 0.00 C ATOM 630 C GLY A 42 7.053 9.854 9.978 1.00 0.00 C ATOM 631 O GLY A 42 8.189 9.386 9.911 1.00 0.00 O ATOM 0 H GLY A 42 4.110 10.337 8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.413 9.050 8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.302 10.796 8.189 1.00 0.00 H new ATOM 635 N SER A 43 6.517 10.368 11.075 1.00 0.00 N ATOM 636 CA SER A 43 7.264 10.416 12.321 1.00 0.00 C ATOM 637 C SER A 43 7.360 9.015 12.928 1.00 0.00 C ATOM 638 O SER A 43 8.451 8.551 13.258 1.00 0.00 O ATOM 639 CB SER A 43 6.615 11.381 13.315 1.00 0.00 C ATOM 640 OG SER A 43 7.565 12.275 13.889 1.00 0.00 O ATOM 0 H SER A 43 5.575 10.755 11.127 1.00 0.00 H new ATOM 0 HA SER A 43 8.268 10.781 12.104 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.838 11.954 12.809 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.128 10.812 14.107 1.00 0.00 H new ATOM 0 HG SER A 43 7.111 12.876 14.516 1.00 0.00 H new ATOM 646 N ARG A 44 6.204 8.380 13.057 1.00 0.00 N ATOM 647 CA ARG A 44 6.145 7.041 13.619 1.00 0.00 C ATOM 648 C ARG A 44 7.023 6.086 12.808 1.00 0.00 C ATOM 649 O ARG A 44 7.711 5.238 13.374 1.00 0.00 O ATOM 650 CB ARG A 44 4.709 6.513 13.634 1.00 0.00 C ATOM 651 CG ARG A 44 3.849 7.292 14.632 1.00 0.00 C ATOM 652 CD ARG A 44 2.693 6.433 15.148 1.00 0.00 C ATOM 653 NE ARG A 44 3.085 5.759 16.406 1.00 0.00 N ATOM 654 CZ ARG A 44 2.214 5.260 17.293 1.00 0.00 C ATOM 655 NH1 ARG A 44 0.897 5.355 17.066 1.00 0.00 N ATOM 656 NH2 ARG A 44 2.661 4.665 18.408 1.00 0.00 N ATOM 0 H ARG A 44 5.301 8.768 12.782 1.00 0.00 H new ATOM 0 HA ARG A 44 6.511 7.095 14.644 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.278 6.593 12.636 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.709 5.455 13.897 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.465 7.620 15.469 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.455 8.189 14.155 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.814 7.055 15.318 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.418 5.691 14.399 1.00 0.00 H new ATOM 0 HE ARG A 44 4.080 5.669 16.610 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.557 5.807 16.217 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.234 4.975 17.742 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.664 4.593 18.580 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.998 4.285 19.084 1.00 0.00 H new ATOM 670 N TRP A 45 6.971 6.256 11.495 1.00 0.00 N ATOM 671 CA TRP A 45 7.753 5.419 10.601 1.00 0.00 C ATOM 672 C TRP A 45 9.233 5.643 10.918 1.00 0.00 C ATOM 673 O TRP A 45 10.050 4.738 10.755 1.00 0.00 O ATOM 674 CB TRP A 45 7.405 5.705 9.138 1.00 0.00 C ATOM 675 CG TRP A 45 8.370 5.071 8.134 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.413 5.644 7.518 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.338 3.712 7.651 1.00 0.00 C ATOM 678 NE1 TRP A 45 10.054 4.757 6.677 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.379 3.545 6.760 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.459 2.658 7.956 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.638 2.337 6.102 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.731 1.457 7.290 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.775 1.273 6.391 1.00 0.00 C ATOM 0 H TRP A 45 6.400 6.961 11.029 1.00 0.00 H new ATOM 0 HA TRP A 45 7.519 4.366 10.755 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.397 5.342 8.937 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.392 6.784 8.982 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.714 6.671 7.662 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.872 4.955 6.101 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.638 2.766 8.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.459 2.231 5.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 7.085 0.615 7.489 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.920 0.313 5.917 1.00 0.00 H new ATOM 694 N GLN A 46 9.533 6.853 11.364 1.00 0.00 N ATOM 695 CA GLN A 46 10.901 7.207 11.705 1.00 0.00 C ATOM 696 C GLN A 46 11.278 6.619 13.066 1.00 0.00 C ATOM 697 O GLN A 46 12.457 6.529 13.403 1.00 0.00 O ATOM 698 CB GLN A 46 11.094 8.725 11.692 1.00 0.00 C ATOM 699 CG GLN A 46 11.306 9.238 10.266 1.00 0.00 C ATOM 700 CD GLN A 46 12.485 10.212 10.204 1.00 0.00 C ATOM 701 OE1 GLN A 46 13.418 10.148 10.987 1.00 0.00 O ATOM 702 NE2 GLN A 46 12.390 11.114 9.230 1.00 0.00 N ATOM 0 H GLN A 46 8.853 7.601 11.497 1.00 0.00 H new ATOM 0 HA GLN A 46 11.564 6.782 10.951 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.222 9.210 12.131 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.952 8.992 12.310 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.488 8.397 9.596 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.401 9.734 9.916 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.581 11.111 8.609 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.127 11.808 9.104 1.00 0.00 H new ATOM 711 N ARG A 47 10.253 6.233 13.812 1.00 0.00 N ATOM 712 CA ARG A 47 10.462 5.655 15.129 1.00 0.00 C ATOM 713 C ARG A 47 10.850 4.180 15.006 1.00 0.00 C ATOM 714 O ARG A 47 11.858 3.751 15.566 1.00 0.00 O ATOM 715 CB ARG A 47 9.202 5.774 15.989 1.00 0.00 C ATOM 716 CG ARG A 47 8.855 7.240 16.254 1.00 0.00 C ATOM 717 CD ARG A 47 7.804 7.364 17.358 1.00 0.00 C ATOM 718 NE ARG A 47 8.436 7.175 18.683 1.00 0.00 N ATOM 719 CZ ARG A 47 7.868 7.528 19.844 1.00 0.00 C ATOM 720 NH1 ARG A 47 6.652 8.091 19.851 1.00 0.00 N ATOM 721 NH2 ARG A 47 8.516 7.318 20.998 1.00 0.00 N ATOM 0 H ARG A 47 9.276 6.309 13.530 1.00 0.00 H new ATOM 0 HA ARG A 47 11.269 6.208 15.609 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.367 5.284 15.487 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.353 5.256 16.936 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.755 7.784 16.541 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.482 7.700 15.339 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.328 8.343 17.310 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.020 6.621 17.210 1.00 0.00 H new ATOM 0 HE ARG A 47 9.362 6.749 18.714 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.159 8.251 18.973 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.220 8.360 20.735 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.442 6.889 20.992 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.084 7.587 21.882 1.00 0.00 H new ATOM 735 N ILE A 48 10.030 3.445 14.271 1.00 0.00 N ATOM 736 CA ILE A 48 10.275 2.027 14.067 1.00 0.00 C ATOM 737 C ILE A 48 11.757 1.809 13.756 1.00 0.00 C ATOM 738 O ILE A 48 12.485 2.764 13.488 1.00 0.00 O ATOM 739 CB ILE A 48 9.333 1.468 12.998 1.00 0.00 C ATOM 740 CG1 ILE A 48 9.341 2.348 11.747 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.921 1.279 13.556 1.00 0.00 C ATOM 742 CD1 ILE A 48 8.549 1.695 10.612 1.00 0.00 C ATOM 0 H ILE A 48 9.195 3.804 13.809 1.00 0.00 H new ATOM 0 HA ILE A 48 10.054 1.468 14.976 1.00 0.00 H new ATOM 0 HB ILE A 48 9.697 0.484 12.703 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.912 3.322 11.981 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.368 2.521 11.426 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.272 0.881 12.776 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.951 0.582 14.394 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.533 2.239 13.896 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.571 2.341 9.735 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.995 0.732 10.364 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.516 1.546 10.928 1.00 0.00 H new ATOM 754 N SER A 49 12.159 0.548 13.801 1.00 0.00 N ATOM 755 CA SER A 49 13.541 0.193 13.527 1.00 0.00 C ATOM 756 C SER A 49 13.632 -0.575 12.206 1.00 0.00 C ATOM 757 O SER A 49 12.611 -0.915 11.610 1.00 0.00 O ATOM 758 CB SER A 49 14.132 -0.639 14.666 1.00 0.00 C ATOM 759 OG SER A 49 14.229 0.106 15.877 1.00 0.00 O ATOM 0 H SER A 49 11.552 -0.241 14.023 1.00 0.00 H new ATOM 0 HA SER A 49 14.121 1.113 13.446 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.512 -1.520 14.831 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.121 -0.995 14.379 1.00 0.00 H new ATOM 0 HG SER A 49 14.609 -0.461 16.580 1.00 0.00 H new ATOM 765 N GLN A 50 14.864 -0.826 11.788 1.00 0.00 N ATOM 766 CA GLN A 50 15.102 -1.548 10.550 1.00 0.00 C ATOM 767 C GLN A 50 14.177 -2.764 10.458 1.00 0.00 C ATOM 768 O GLN A 50 13.390 -2.880 9.520 1.00 0.00 O ATOM 769 CB GLN A 50 16.569 -1.964 10.430 1.00 0.00 C ATOM 770 CG GLN A 50 16.888 -2.451 9.015 1.00 0.00 C ATOM 771 CD GLN A 50 16.622 -1.352 7.985 1.00 0.00 C ATOM 772 OE1 GLN A 50 15.395 -1.377 7.472 1.00 0.00 O flip ATOM 773 NE2 GLN A 50 17.474 -0.536 7.675 1.00 0.00 N flip ATOM 0 H GLN A 50 15.708 -0.542 12.285 1.00 0.00 H new ATOM 0 HA GLN A 50 14.879 -0.883 9.716 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.212 -1.120 10.681 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.786 -2.755 11.148 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.931 -2.761 8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 50 16.282 -3.327 8.783 1.00 0.00 H new ATOM 0 HE21 GLN A 50 18.397 -0.573 8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 50 17.263 0.183 6.983 1.00 0.00 H new ATOM 782 N SER A 51 14.304 -3.639 11.444 1.00 0.00 N ATOM 783 CA SER A 51 13.490 -4.842 11.487 1.00 0.00 C ATOM 784 C SER A 51 12.070 -4.530 11.012 1.00 0.00 C ATOM 785 O SER A 51 11.462 -5.324 10.297 1.00 0.00 O ATOM 786 CB SER A 51 13.460 -5.437 12.896 1.00 0.00 C ATOM 787 OG SER A 51 12.398 -6.373 13.057 1.00 0.00 O ATOM 0 H SER A 51 14.959 -3.539 12.220 1.00 0.00 H new ATOM 0 HA SER A 51 13.935 -5.580 10.820 1.00 0.00 H new ATOM 0 HB2 SER A 51 14.411 -5.928 13.102 1.00 0.00 H new ATOM 0 HB3 SER A 51 13.350 -4.635 13.626 1.00 0.00 H new ATOM 0 HG SER A 51 12.413 -6.732 13.969 1.00 0.00 H new ATOM 793 N GLN A 52 11.582 -3.371 11.430 1.00 0.00 N ATOM 794 CA GLN A 52 10.245 -2.943 11.056 1.00 0.00 C ATOM 795 C GLN A 52 10.208 -2.541 9.581 1.00 0.00 C ATOM 796 O GLN A 52 9.643 -3.255 8.753 1.00 0.00 O ATOM 797 CB GLN A 52 9.766 -1.796 11.949 1.00 0.00 C ATOM 798 CG GLN A 52 8.571 -2.227 12.801 1.00 0.00 C ATOM 799 CD GLN A 52 8.687 -1.680 14.225 1.00 0.00 C ATOM 800 OE1 GLN A 52 9.740 -1.253 14.670 1.00 0.00 O ATOM 801 NE2 GLN A 52 7.550 -1.716 14.913 1.00 0.00 N ATOM 0 H GLN A 52 12.089 -2.715 12.024 1.00 0.00 H new ATOM 0 HA GLN A 52 9.564 -3.781 11.200 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.580 -1.470 12.596 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.488 -0.942 11.332 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.647 -1.871 12.345 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.514 -3.315 12.829 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.704 -2.086 14.481 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.524 -1.373 15.873 1.00 0.00 H new ATOM 810 N LYS A 53 10.819 -1.400 9.296 1.00 0.00 N ATOM 811 CA LYS A 53 10.863 -0.895 7.934 1.00 0.00 C ATOM 812 C LYS A 53 11.083 -2.061 6.969 1.00 0.00 C ATOM 813 O LYS A 53 10.504 -2.092 5.884 1.00 0.00 O ATOM 814 CB LYS A 53 11.910 0.213 7.808 1.00 0.00 C ATOM 815 CG LYS A 53 11.524 1.431 8.649 1.00 0.00 C ATOM 816 CD LYS A 53 12.730 2.344 8.880 1.00 0.00 C ATOM 817 CE LYS A 53 12.290 3.797 9.070 1.00 0.00 C ATOM 818 NZ LYS A 53 13.364 4.723 8.648 1.00 0.00 N ATOM 0 H LYS A 53 11.287 -0.811 9.985 1.00 0.00 H new ATOM 0 HA LYS A 53 9.911 -0.435 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.882 -0.162 8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.011 0.506 6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.733 1.988 8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.123 1.103 9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.281 2.009 9.759 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.411 2.275 8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.388 3.989 8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.040 3.974 10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.049 5.705 8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.216 4.551 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.584 4.565 7.644 1.00 0.00 H new ATOM 832 N GLU A 54 11.922 -2.993 7.398 1.00 0.00 N ATOM 833 CA GLU A 54 12.225 -4.159 6.586 1.00 0.00 C ATOM 834 C GLU A 54 10.983 -5.038 6.434 1.00 0.00 C ATOM 835 O GLU A 54 10.570 -5.349 5.318 1.00 0.00 O ATOM 836 CB GLU A 54 13.390 -4.953 7.180 1.00 0.00 C ATOM 837 CG GLU A 54 14.718 -4.537 6.544 1.00 0.00 C ATOM 838 CD GLU A 54 15.110 -5.493 5.416 1.00 0.00 C ATOM 839 OE1 GLU A 54 15.269 -6.695 5.721 1.00 0.00 O ATOM 840 OE2 GLU A 54 15.243 -5.001 4.275 1.00 0.00 O ATOM 0 H GLU A 54 12.401 -2.964 8.298 1.00 0.00 H new ATOM 0 HA GLU A 54 12.528 -3.819 5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.432 -4.792 8.257 1.00 0.00 H new ATOM 0 HB3 GLU A 54 13.226 -6.019 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.636 -3.523 6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.500 -4.524 7.303 1.00 0.00 H new ATOM 847 N HIS A 55 10.420 -5.415 7.573 1.00 0.00 N ATOM 848 CA HIS A 55 9.233 -6.252 7.581 1.00 0.00 C ATOM 849 C HIS A 55 8.181 -5.660 6.642 1.00 0.00 C ATOM 850 O HIS A 55 7.873 -6.241 5.603 1.00 0.00 O ATOM 851 CB HIS A 55 8.714 -6.445 9.007 1.00 0.00 C ATOM 852 CG HIS A 55 7.512 -7.354 9.106 1.00 0.00 C ATOM 853 ND1 HIS A 55 7.467 -8.605 8.515 1.00 0.00 N ATOM 854 CD2 HIS A 55 6.312 -7.180 9.732 1.00 0.00 C ATOM 855 CE1 HIS A 55 6.289 -9.150 8.780 1.00 0.00 C ATOM 856 NE2 HIS A 55 5.575 -8.266 9.533 1.00 0.00 N ATOM 0 H HIS A 55 10.765 -5.156 8.497 1.00 0.00 H new ATOM 0 HA HIS A 55 9.482 -7.246 7.210 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.516 -6.852 9.623 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.456 -5.471 9.423 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.013 -6.307 10.294 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.953 -10.124 8.456 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.630 -8.415 9.886 1.00 0.00 H new ATOM 864 N TYR A 56 7.657 -4.510 7.042 1.00 0.00 N ATOM 865 CA TYR A 56 6.646 -3.832 6.250 1.00 0.00 C ATOM 866 C TYR A 56 7.023 -3.828 4.767 1.00 0.00 C ATOM 867 O TYR A 56 6.179 -4.075 3.907 1.00 0.00 O ATOM 868 CB TYR A 56 6.608 -2.390 6.758 1.00 0.00 C ATOM 869 CG TYR A 56 5.812 -2.208 8.053 1.00 0.00 C ATOM 870 CD1 TYR A 56 4.553 -2.760 8.173 1.00 0.00 C ATOM 871 CD2 TYR A 56 6.354 -1.491 9.100 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.805 -2.588 9.391 1.00 0.00 C ATOM 873 CE2 TYR A 56 5.605 -1.319 10.318 1.00 0.00 C ATOM 874 CZ TYR A 56 4.368 -1.877 10.404 1.00 0.00 C ATOM 875 OH TYR A 56 3.661 -1.714 11.554 1.00 0.00 O ATOM 0 H TYR A 56 7.914 -4.031 7.905 1.00 0.00 H new ATOM 0 HA TYR A 56 5.683 -4.334 6.346 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.629 -2.045 6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 56 6.176 -1.754 5.985 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.129 -3.321 7.353 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.339 -1.059 9.006 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.818 -3.014 9.498 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.017 -0.759 11.145 1.00 0.00 H new ATOM 0 HH TYR A 56 4.188 -1.186 12.190 1.00 0.00 H new ATOM 885 N LYS A 57 8.292 -3.544 4.513 1.00 0.00 N ATOM 886 CA LYS A 57 8.792 -3.504 3.149 1.00 0.00 C ATOM 887 C LYS A 57 8.470 -4.828 2.454 1.00 0.00 C ATOM 888 O LYS A 57 8.286 -4.866 1.238 1.00 0.00 O ATOM 889 CB LYS A 57 10.280 -3.146 3.134 1.00 0.00 C ATOM 890 CG LYS A 57 10.787 -2.974 1.701 1.00 0.00 C ATOM 891 CD LYS A 57 12.041 -2.098 1.666 1.00 0.00 C ATOM 892 CE LYS A 57 13.270 -2.880 2.135 1.00 0.00 C ATOM 893 NZ LYS A 57 14.461 -2.002 2.169 1.00 0.00 N ATOM 0 H LYS A 57 8.989 -3.339 5.229 1.00 0.00 H new ATOM 0 HA LYS A 57 8.294 -2.717 2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.442 -2.225 3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.851 -3.928 3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.009 -3.950 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.007 -2.524 1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.204 -1.731 0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.897 -1.225 2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.088 -3.294 3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.450 -3.721 1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.286 -2.548 2.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.643 -1.627 1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.292 -1.213 2.825 1.00 0.00 H new ATOM 907 N LYS A 58 8.412 -5.882 3.255 1.00 0.00 N ATOM 908 CA LYS A 58 8.116 -7.204 2.731 1.00 0.00 C ATOM 909 C LYS A 58 6.603 -7.353 2.561 1.00 0.00 C ATOM 910 O LYS A 58 6.136 -7.860 1.542 1.00 0.00 O ATOM 911 CB LYS A 58 8.745 -8.283 3.615 1.00 0.00 C ATOM 912 CG LYS A 58 7.872 -9.539 3.652 1.00 0.00 C ATOM 913 CD LYS A 58 6.727 -9.382 4.655 1.00 0.00 C ATOM 914 CE LYS A 58 6.875 -10.370 5.814 1.00 0.00 C ATOM 915 NZ LYS A 58 7.018 -11.752 5.303 1.00 0.00 N ATOM 0 H LYS A 58 8.565 -5.847 4.263 1.00 0.00 H new ATOM 0 HA LYS A 58 8.562 -7.332 1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.736 -8.535 3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.878 -7.898 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.466 -9.734 2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.481 -10.402 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.714 -8.363 5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.774 -9.545 4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.745 -10.107 6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.005 -10.306 6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.504 -12.407 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.626 -11.809 4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.025 -12.012 5.282 1.00 0.00 H new ATOM 929 N LEU A 59 5.878 -6.903 3.575 1.00 0.00 N ATOM 930 CA LEU A 59 4.428 -6.980 3.550 1.00 0.00 C ATOM 931 C LEU A 59 3.914 -6.425 2.220 1.00 0.00 C ATOM 932 O LEU A 59 3.273 -7.139 1.451 1.00 0.00 O ATOM 933 CB LEU A 59 3.833 -6.286 4.777 1.00 0.00 C ATOM 934 CG LEU A 59 3.834 -7.098 6.074 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.368 -8.533 5.822 1.00 0.00 C ATOM 936 CD2 LEU A 59 5.206 -7.051 6.749 1.00 0.00 C ATOM 0 H LEU A 59 6.268 -6.484 4.419 1.00 0.00 H new ATOM 0 HA LEU A 59 4.101 -8.018 3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.384 -5.362 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.805 -6.006 4.548 1.00 0.00 H new ATOM 0 HG LEU A 59 3.121 -6.644 6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.378 -9.089 6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.356 -8.521 5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.038 -9.013 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.179 -7.636 7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.957 -7.466 6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.461 -6.018 6.984 1.00 0.00 H new ATOM 948 N ALA A 60 4.216 -5.155 1.990 1.00 0.00 N ATOM 949 CA ALA A 60 3.793 -4.496 0.766 1.00 0.00 C ATOM 950 C ALA A 60 3.893 -5.481 -0.400 1.00 0.00 C ATOM 951 O ALA A 60 2.977 -5.579 -1.216 1.00 0.00 O ATOM 952 CB ALA A 60 4.639 -3.241 0.543 1.00 0.00 C ATOM 0 H ALA A 60 4.748 -4.566 2.630 1.00 0.00 H new ATOM 0 HA ALA A 60 2.753 -4.179 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.322 -2.747 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.510 -2.561 1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.689 -3.520 0.460 1.00 0.00 H new ATOM 958 N GLU A 61 5.014 -6.186 -0.442 1.00 0.00 N ATOM 959 CA GLU A 61 5.246 -7.161 -1.495 1.00 0.00 C ATOM 960 C GLU A 61 4.099 -8.172 -1.545 1.00 0.00 C ATOM 961 O GLU A 61 3.532 -8.421 -2.608 1.00 0.00 O ATOM 962 CB GLU A 61 6.590 -7.866 -1.303 1.00 0.00 C ATOM 963 CG GLU A 61 7.672 -6.875 -0.869 1.00 0.00 C ATOM 964 CD GLU A 61 7.540 -5.552 -1.627 1.00 0.00 C ATOM 965 OE1 GLU A 61 7.741 -5.582 -2.860 1.00 0.00 O ATOM 966 OE2 GLU A 61 7.242 -4.541 -0.955 1.00 0.00 O ATOM 0 H GLU A 61 5.772 -6.102 0.236 1.00 0.00 H new ATOM 0 HA GLU A 61 5.282 -6.635 -2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.489 -8.651 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.887 -8.350 -2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.595 -6.693 0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.657 -7.305 -1.049 1.00 0.00 H new ATOM 973 N GLU A 62 3.791 -8.727 -0.382 1.00 0.00 N ATOM 974 CA GLU A 62 2.722 -9.706 -0.280 1.00 0.00 C ATOM 975 C GLU A 62 1.436 -9.153 -0.898 1.00 0.00 C ATOM 976 O GLU A 62 0.890 -9.740 -1.830 1.00 0.00 O ATOM 977 CB GLU A 62 2.496 -10.121 1.176 1.00 0.00 C ATOM 978 CG GLU A 62 2.696 -11.628 1.353 1.00 0.00 C ATOM 979 CD GLU A 62 4.057 -12.068 0.809 1.00 0.00 C ATOM 980 OE1 GLU A 62 5.070 -11.582 1.356 1.00 0.00 O ATOM 981 OE2 GLU A 62 4.052 -12.881 -0.140 1.00 0.00 O ATOM 0 H GLU A 62 4.263 -8.517 0.498 1.00 0.00 H new ATOM 0 HA GLU A 62 3.016 -10.596 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.186 -9.580 1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.487 -9.845 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.622 -11.887 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.902 -12.167 0.836 1.00 0.00 H new ATOM 988 N GLN A 63 0.990 -8.031 -0.352 1.00 0.00 N ATOM 989 CA GLN A 63 -0.222 -7.393 -0.839 1.00 0.00 C ATOM 990 C GLN A 63 -0.232 -7.369 -2.368 1.00 0.00 C ATOM 991 O GLN A 63 -1.234 -7.716 -2.992 1.00 0.00 O ATOM 992 CB GLN A 63 -0.365 -5.981 -0.267 1.00 0.00 C ATOM 993 CG GLN A 63 -1.538 -5.902 0.711 1.00 0.00 C ATOM 994 CD GLN A 63 -2.868 -6.137 -0.007 1.00 0.00 C ATOM 995 OE1 GLN A 63 -3.107 -7.176 -0.601 1.00 0.00 O ATOM 996 NE2 GLN A 63 -3.718 -5.117 0.079 1.00 0.00 N ATOM 0 H GLN A 63 1.445 -7.548 0.422 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.078 -7.976 -0.499 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.556 -5.695 0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.515 -5.269 -1.079 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.410 -6.644 1.499 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.549 -4.924 1.193 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.455 -4.276 0.592 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.633 -5.176 -0.368 1.00 0.00 H new ATOM 1005 N GLN A 64 0.895 -6.956 -2.929 1.00 0.00 N ATOM 1006 CA GLN A 64 1.029 -6.882 -4.374 1.00 0.00 C ATOM 1007 C GLN A 64 0.997 -8.285 -4.983 1.00 0.00 C ATOM 1008 O GLN A 64 0.463 -8.481 -6.073 1.00 0.00 O ATOM 1009 CB GLN A 64 2.308 -6.141 -4.770 1.00 0.00 C ATOM 1010 CG GLN A 64 2.329 -4.729 -4.181 1.00 0.00 C ATOM 1011 CD GLN A 64 3.658 -4.032 -4.475 1.00 0.00 C ATOM 1012 OE1 GLN A 64 3.820 -3.340 -5.467 1.00 0.00 O ATOM 1013 NE2 GLN A 64 4.599 -4.252 -3.560 1.00 0.00 N ATOM 0 H GLN A 64 1.724 -6.669 -2.409 1.00 0.00 H new ATOM 0 HA GLN A 64 0.185 -6.317 -4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.178 -6.697 -4.421 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.379 -6.087 -5.856 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.508 -4.145 -4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.171 -4.778 -3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.397 -4.842 -2.753 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.522 -3.831 -3.666 1.00 0.00 H new ATOM 1022 N ARG A 65 1.577 -9.226 -4.251 1.00 0.00 N ATOM 1023 CA ARG A 65 1.622 -10.605 -4.705 1.00 0.00 C ATOM 1024 C ARG A 65 0.204 -11.161 -4.858 1.00 0.00 C ATOM 1025 O ARG A 65 -0.080 -11.895 -5.802 1.00 0.00 O ATOM 1026 CB ARG A 65 2.403 -11.483 -3.725 1.00 0.00 C ATOM 1027 CG ARG A 65 1.767 -12.869 -3.602 1.00 0.00 C ATOM 1028 CD ARG A 65 2.693 -13.833 -2.858 1.00 0.00 C ATOM 1029 NE ARG A 65 2.153 -15.209 -2.930 1.00 0.00 N ATOM 1030 CZ ARG A 65 2.851 -16.308 -2.610 1.00 0.00 C ATOM 1031 NH1 ARG A 65 4.120 -16.197 -2.194 1.00 0.00 N ATOM 1032 NH2 ARG A 65 2.279 -17.516 -2.705 1.00 0.00 N ATOM 0 H ARG A 65 2.019 -9.060 -3.347 1.00 0.00 H new ATOM 0 HA ARG A 65 2.128 -10.619 -5.670 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.435 -11.581 -4.062 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.432 -11.004 -2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.817 -12.791 -3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.549 -13.262 -4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.691 -13.802 -3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.791 -13.526 -1.817 1.00 0.00 H new ATOM 0 HE ARG A 65 1.190 -15.329 -3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.554 -15.277 -2.121 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.652 -17.033 -1.950 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.313 -17.599 -3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.810 -18.352 -2.462 1.00 0.00 H new ATOM 1046 N GLN A 66 -0.648 -10.788 -3.914 1.00 0.00 N ATOM 1047 CA GLN A 66 -2.028 -11.240 -3.931 1.00 0.00 C ATOM 1048 C GLN A 66 -2.819 -10.487 -5.003 1.00 0.00 C ATOM 1049 O GLN A 66 -3.576 -11.093 -5.761 1.00 0.00 O ATOM 1050 CB GLN A 66 -2.677 -11.075 -2.555 1.00 0.00 C ATOM 1051 CG GLN A 66 -2.127 -12.103 -1.564 1.00 0.00 C ATOM 1052 CD GLN A 66 -2.667 -11.849 -0.155 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -3.635 -12.448 0.284 1.00 0.00 O ATOM 1054 NE2 GLN A 66 -1.990 -10.929 0.526 1.00 0.00 N ATOM 0 H GLN A 66 -0.409 -10.178 -3.133 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.039 -12.302 -4.176 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.493 -10.068 -2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.757 -11.190 -2.642 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.401 -13.107 -1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.038 -12.057 -1.554 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.188 -10.465 0.099 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.272 -10.687 1.476 1.00 0.00 H new ATOM 1063 N TYR A 67 -2.617 -9.178 -5.033 1.00 0.00 N ATOM 1064 CA TYR A 67 -3.302 -8.337 -6.000 1.00 0.00 C ATOM 1065 C TYR A 67 -3.050 -8.826 -7.427 1.00 0.00 C ATOM 1066 O TYR A 67 -3.795 -8.483 -8.345 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.704 -6.938 -5.839 1.00 0.00 C ATOM 1068 CG TYR A 67 -2.945 -6.017 -7.037 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -2.250 -6.217 -8.213 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -3.858 -4.986 -6.943 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -2.477 -5.350 -9.340 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -4.085 -4.120 -8.070 1.00 0.00 C ATOM 1073 CZ TYR A 67 -3.383 -4.345 -9.213 1.00 0.00 C ATOM 1074 OH TYR A 67 -3.598 -3.526 -10.278 1.00 0.00 O ATOM 0 H TYR A 67 -1.989 -8.679 -4.403 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.379 -8.354 -5.830 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.125 -6.474 -4.947 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.630 -7.030 -5.674 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.536 -7.024 -8.288 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.402 -4.829 -6.023 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.939 -5.495 -10.265 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.797 -3.310 -8.009 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.272 -2.854 -10.043 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.998 -9.618 -7.571 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.639 -10.158 -8.871 1.00 0.00 C ATOM 1086 C LYS A 68 -2.683 -11.193 -9.295 1.00 0.00 C ATOM 1087 O LYS A 68 -3.259 -11.093 -10.377 1.00 0.00 O ATOM 1088 CB LYS A 68 -0.209 -10.699 -8.850 1.00 0.00 C ATOM 1089 CG LYS A 68 0.810 -9.558 -8.822 1.00 0.00 C ATOM 1090 CD LYS A 68 1.281 -9.208 -10.235 1.00 0.00 C ATOM 1091 CE LYS A 68 1.794 -7.769 -10.302 1.00 0.00 C ATOM 1092 NZ LYS A 68 2.185 -7.421 -11.686 1.00 0.00 N ATOM 0 H LYS A 68 -1.382 -9.899 -6.808 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.646 -9.371 -9.625 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.071 -11.336 -7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.039 -11.321 -9.729 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.365 -8.679 -8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.665 -9.845 -8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.072 -9.894 -10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.459 -9.338 -10.939 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.021 -7.085 -9.954 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.649 -7.650 -9.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.531 -6.441 -11.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.938 -8.063 -12.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.361 -7.515 -12.314 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.894 -12.165 -8.419 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.858 -13.219 -8.689 1.00 0.00 C ATOM 1108 C VAL A 69 -5.267 -12.621 -8.714 1.00 0.00 C ATOM 1109 O VAL A 69 -6.069 -12.950 -9.586 1.00 0.00 O ATOM 1110 CB VAL A 69 -3.704 -14.344 -7.664 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -2.235 -14.544 -7.286 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -4.559 -14.077 -6.424 1.00 0.00 C ATOM 0 H VAL A 69 -2.414 -12.245 -7.522 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.675 -13.662 -9.668 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.060 -15.266 -8.123 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.154 -15.349 -6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.662 -14.802 -8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.841 -13.623 -6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.431 -14.892 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.248 -13.140 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.608 -14.009 -6.713 1.00 0.00 H new ATOM 1122 N HIS A 70 -5.524 -11.753 -7.746 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.821 -11.107 -7.645 1.00 0.00 C ATOM 1124 C HIS A 70 -7.251 -10.601 -9.024 1.00 0.00 C ATOM 1125 O HIS A 70 -8.351 -10.902 -9.485 1.00 0.00 O ATOM 1126 CB HIS A 70 -6.796 -10.000 -6.589 1.00 0.00 C ATOM 1127 CG HIS A 70 -6.630 -10.504 -5.175 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -6.280 -11.735 -4.703 1.00 0.00 N flip ATOM 1129 CD2 HIS A 70 -6.833 -9.703 -4.065 1.00 0.00 C flip ATOM 1130 CE1 HIS A 70 -6.268 -11.688 -3.377 1.00 0.00 C flip ATOM 1131 NE2 HIS A 70 -6.610 -10.429 -2.979 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.855 -11.482 -7.025 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.566 -11.830 -7.312 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.981 -9.313 -6.817 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.722 -9.429 -6.654 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.124 -8.663 -4.081 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.027 -12.511 -2.721 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.682 -10.104 -2.015 1.00 0.00 H new ATOM 1139 N LEU A 71 -6.360 -9.841 -9.644 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.633 -9.290 -10.960 1.00 0.00 C ATOM 1141 C LEU A 71 -7.159 -10.400 -11.873 1.00 0.00 C ATOM 1142 O LEU A 71 -8.068 -10.174 -12.670 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.396 -8.577 -11.510 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.658 -7.297 -12.306 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -6.501 -6.310 -11.496 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -4.347 -6.672 -12.787 1.00 0.00 C ATOM 0 H LEU A 71 -5.448 -9.594 -9.259 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.411 -8.529 -10.900 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.740 -8.334 -10.674 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.853 -9.274 -12.149 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.234 -7.559 -13.194 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.672 -5.409 -12.085 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.458 -6.768 -11.247 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.974 -6.049 -10.578 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.562 -5.764 -13.350 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.724 -6.427 -11.927 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.820 -7.379 -13.427 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.564 -11.574 -11.727 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.961 -12.719 -12.528 1.00 0.00 C ATOM 1160 C ASP A 72 -8.309 -13.243 -12.029 1.00 0.00 C ATOM 1161 O ASP A 72 -9.149 -13.662 -12.824 1.00 0.00 O ATOM 1162 CB ASP A 72 -5.941 -13.854 -12.412 1.00 0.00 C ATOM 1163 CG ASP A 72 -5.184 -14.177 -13.702 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -5.743 -13.878 -14.779 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -4.062 -14.716 -13.582 1.00 0.00 O ATOM 0 H ASP A 72 -5.809 -11.757 -11.066 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.025 -12.396 -13.567 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.218 -13.595 -11.639 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.457 -14.753 -12.076 1.00 0.00 H new ATOM 1170 N LEU A 73 -8.473 -13.202 -10.715 1.00 0.00 N ATOM 1171 CA LEU A 73 -9.705 -13.668 -10.100 1.00 0.00 C ATOM 1172 C LEU A 73 -10.864 -12.777 -10.552 1.00 0.00 C ATOM 1173 O LEU A 73 -11.980 -13.256 -10.749 1.00 0.00 O ATOM 1174 CB LEU A 73 -9.548 -13.748 -8.580 1.00 0.00 C ATOM 1175 CG LEU A 73 -8.300 -14.473 -8.073 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -8.471 -14.904 -6.615 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -7.942 -15.651 -8.981 1.00 0.00 C ATOM 0 H LEU A 73 -7.774 -12.854 -10.059 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.935 -14.682 -10.428 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.542 -12.734 -8.181 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.426 -14.247 -8.169 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.463 -13.776 -8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.570 -15.417 -6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.641 -14.025 -5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.324 -15.577 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.051 -16.148 -8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.771 -16.358 -9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.748 -15.287 -9.990 1.00 0.00 H new ATOM 1189 N TRP A 74 -10.560 -11.496 -10.704 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.562 -10.534 -11.129 1.00 0.00 C ATOM 1191 C TRP A 74 -11.916 -10.833 -12.587 1.00 0.00 C ATOM 1192 O TRP A 74 -13.035 -10.571 -13.024 1.00 0.00 O ATOM 1193 CB TRP A 74 -11.072 -9.101 -10.914 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.802 -8.059 -11.765 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -12.935 -7.405 -11.476 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.399 -7.576 -13.064 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.291 -6.539 -12.490 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -12.328 -6.646 -13.486 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -10.288 -7.913 -13.856 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.240 -5.977 -14.713 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -10.214 -7.235 -15.079 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -11.141 -6.297 -15.519 1.00 0.00 C ATOM 0 H TRP A 74 -9.633 -11.102 -10.540 1.00 0.00 H new ATOM 0 HA TRP A 74 -12.465 -10.626 -10.526 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -11.189 -8.842 -9.862 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -10.006 -9.055 -11.137 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.499 -7.539 -10.565 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -14.111 -5.932 -12.505 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.550 -8.638 -13.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -12.980 -5.253 -15.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.378 -7.456 -15.726 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.014 -5.817 -16.478 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.940 -11.377 -13.300 1.00 0.00 N ATOM 1214 CA VAL A 75 -11.135 -11.714 -14.699 1.00 0.00 C ATOM 1215 C VAL A 75 -12.049 -12.936 -14.803 1.00 0.00 C ATOM 1216 O VAL A 75 -13.010 -12.934 -15.570 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.780 -11.921 -15.381 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.947 -12.619 -16.732 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -9.037 -10.593 -15.538 1.00 0.00 C ATOM 0 H VAL A 75 -10.012 -11.592 -12.934 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.627 -10.895 -15.224 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.179 -12.568 -14.742 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.970 -12.754 -17.195 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.415 -13.592 -16.583 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.575 -12.009 -17.381 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.078 -10.768 -16.025 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.633 -9.912 -16.145 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.870 -10.151 -14.556 1.00 0.00 H new ATOM 1229 N LYS A 76 -11.717 -13.952 -14.019 1.00 0.00 N ATOM 1230 CA LYS A 76 -12.496 -15.178 -14.013 1.00 0.00 C ATOM 1231 C LYS A 76 -13.974 -14.837 -13.807 1.00 0.00 C ATOM 1232 O LYS A 76 -14.852 -15.615 -14.177 1.00 0.00 O ATOM 1233 CB LYS A 76 -11.942 -16.160 -12.979 1.00 0.00 C ATOM 1234 CG LYS A 76 -10.416 -16.243 -13.065 1.00 0.00 C ATOM 1235 CD LYS A 76 -9.949 -17.698 -13.137 1.00 0.00 C ATOM 1236 CE LYS A 76 -10.443 -18.493 -11.926 1.00 0.00 C ATOM 1237 NZ LYS A 76 -9.948 -19.886 -11.984 1.00 0.00 N ATOM 0 H LYS A 76 -10.919 -13.951 -13.384 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.416 -15.685 -14.975 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.237 -15.845 -11.978 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.373 -17.148 -13.142 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.068 -15.702 -13.945 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.972 -15.758 -12.196 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.319 -18.157 -14.054 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.860 -17.733 -13.180 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.101 -18.017 -11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.533 -18.489 -11.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.292 -20.412 -11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.295 -20.342 -12.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.908 -19.885 -11.986 1.00 0.00 H new ATOM 1251 N SER A 77 -14.203 -13.674 -13.216 1.00 0.00 N ATOM 1252 CA SER A 77 -15.559 -13.221 -12.955 1.00 0.00 C ATOM 1253 C SER A 77 -16.094 -12.452 -14.165 1.00 0.00 C ATOM 1254 O SER A 77 -17.291 -12.489 -14.448 1.00 0.00 O ATOM 1255 CB SER A 77 -15.616 -12.345 -11.702 1.00 0.00 C ATOM 1256 OG SER A 77 -16.955 -12.108 -11.277 1.00 0.00 O ATOM 0 H SER A 77 -13.472 -13.031 -12.910 1.00 0.00 H new ATOM 0 HA SER A 77 -16.185 -14.096 -12.782 1.00 0.00 H new ATOM 0 HB2 SER A 77 -15.060 -12.826 -10.897 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.125 -11.393 -11.903 1.00 0.00 H new ATOM 0 HG SER A 77 -16.949 -11.546 -10.474 1.00 0.00 H new ATOM 1262 N LEU A 78 -15.183 -11.773 -14.846 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.549 -10.997 -16.018 1.00 0.00 C ATOM 1264 C LEU A 78 -16.392 -11.864 -16.956 1.00 0.00 C ATOM 1265 O LEU A 78 -16.062 -13.023 -17.199 1.00 0.00 O ATOM 1266 CB LEU A 78 -14.302 -10.407 -16.681 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.628 -9.254 -15.935 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.466 -8.680 -16.749 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.647 -8.178 -15.554 1.00 0.00 C ATOM 0 H LEU A 78 -14.192 -11.744 -14.608 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.164 -10.144 -15.733 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.572 -11.206 -16.811 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.575 -10.059 -17.677 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.210 -9.645 -15.007 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.004 -7.862 -16.197 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.726 -9.461 -16.928 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.839 -8.308 -17.703 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.142 -7.370 -15.025 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.115 -7.784 -16.456 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.411 -8.612 -14.909 1.00 0.00 H new ATOM 1281 N SER A 79 -17.464 -11.268 -17.456 1.00 0.00 N ATOM 1282 CA SER A 79 -18.357 -11.971 -18.361 1.00 0.00 C ATOM 1283 C SER A 79 -17.626 -12.305 -19.663 1.00 0.00 C ATOM 1284 O SER A 79 -16.454 -11.969 -19.824 1.00 0.00 O ATOM 1285 CB SER A 79 -19.610 -11.142 -18.654 1.00 0.00 C ATOM 1286 OG SER A 79 -19.722 -10.019 -17.784 1.00 0.00 O ATOM 0 H SER A 79 -17.734 -10.306 -17.252 1.00 0.00 H new ATOM 0 HA SER A 79 -18.671 -12.897 -17.880 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.584 -10.798 -19.688 1.00 0.00 H new ATOM 0 HB3 SER A 79 -20.494 -11.771 -18.549 1.00 0.00 H new ATOM 0 HG SER A 79 -19.362 -9.223 -18.229 1.00 0.00 H new ATOM 1292 N PRO A 80 -18.368 -12.979 -20.582 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.803 -13.363 -21.864 1.00 0.00 C ATOM 1294 C PRO A 80 -17.685 -12.154 -22.795 1.00 0.00 C ATOM 1295 O PRO A 80 -17.011 -12.220 -23.822 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.735 -14.437 -22.400 1.00 0.00 C ATOM 1297 CG PRO A 80 -20.034 -14.287 -21.624 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.759 -13.393 -20.425 1.00 0.00 C ATOM 0 HA PRO A 80 -16.786 -13.745 -21.778 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.902 -14.311 -23.470 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.308 -15.430 -22.259 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.808 -13.851 -22.256 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -20.399 -15.261 -21.298 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.429 -12.533 -20.410 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.909 -13.930 -19.488 1.00 0.00 H new ATOM 1306 N GLN A 81 -18.352 -11.079 -22.403 1.00 0.00 N ATOM 1307 CA GLN A 81 -18.331 -9.857 -23.189 1.00 0.00 C ATOM 1308 C GLN A 81 -17.235 -8.918 -22.682 1.00 0.00 C ATOM 1309 O GLN A 81 -16.513 -8.315 -23.475 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.697 -9.167 -23.167 1.00 0.00 C ATOM 1311 CG GLN A 81 -20.775 -10.068 -23.773 1.00 0.00 C ATOM 1312 CD GLN A 81 -22.123 -9.851 -23.081 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -22.511 -10.577 -22.181 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -22.811 -8.814 -23.549 1.00 0.00 N ATOM 0 H GLN A 81 -18.911 -11.029 -21.551 1.00 0.00 H new ATOM 0 HA GLN A 81 -18.109 -10.118 -24.224 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -19.964 -8.914 -22.141 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.645 -8.231 -23.723 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.871 -9.860 -24.839 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.477 -11.112 -23.678 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.427 -8.247 -24.305 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -23.722 -8.586 -23.152 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.143 -8.824 -21.364 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.147 -7.969 -20.741 1.00 0.00 C ATOM 1325 C ASP A 82 -14.756 -8.565 -20.968 1.00 0.00 C ATOM 1326 O ASP A 82 -13.882 -7.912 -21.535 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.376 -7.864 -19.232 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.525 -6.942 -18.816 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -18.680 -7.295 -19.138 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -17.221 -5.907 -18.185 1.00 0.00 O ATOM 0 H ASP A 82 -17.743 -9.326 -20.709 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.227 -6.978 -21.187 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.570 -8.862 -18.839 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.458 -7.510 -18.764 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.595 -9.799 -20.512 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.326 -10.491 -20.658 1.00 0.00 C ATOM 1337 C ARG A 83 -12.846 -10.420 -22.109 1.00 0.00 C ATOM 1338 O ARG A 83 -11.647 -10.319 -22.366 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.447 -11.958 -20.239 1.00 0.00 C ATOM 1340 CG ARG A 83 -12.140 -12.462 -19.624 1.00 0.00 C ATOM 1341 CD ARG A 83 -12.397 -13.631 -18.671 1.00 0.00 C ATOM 1342 NE ARG A 83 -11.495 -14.758 -18.998 1.00 0.00 N ATOM 1343 CZ ARG A 83 -11.691 -15.605 -20.018 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -12.758 -15.458 -20.816 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -10.821 -16.599 -20.239 1.00 0.00 N ATOM 0 H ARG A 83 -15.323 -10.337 -20.041 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.603 -9.998 -20.008 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.258 -12.069 -19.519 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.704 -12.567 -21.105 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.459 -12.776 -20.415 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.650 -11.650 -19.086 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.237 -13.313 -17.641 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.436 -13.952 -18.748 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.673 -14.899 -18.411 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.421 -14.701 -20.647 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.907 -16.103 -21.592 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.010 -16.711 -19.631 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.970 -17.244 -21.015 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.807 -10.475 -23.020 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.497 -10.418 -24.438 1.00 0.00 C ATOM 1361 C ALA A 84 -12.717 -9.136 -24.735 1.00 0.00 C ATOM 1362 O ALA A 84 -11.874 -9.111 -25.630 1.00 0.00 O ATOM 1363 CB ALA A 84 -14.792 -10.513 -25.248 1.00 0.00 C ATOM 0 H ALA A 84 -14.800 -10.558 -22.803 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.868 -11.260 -24.727 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.560 -10.470 -26.312 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.293 -11.455 -25.024 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.447 -9.682 -24.986 1.00 0.00 H new ATOM 1369 N ALA A 85 -13.026 -8.102 -23.966 1.00 0.00 N ATOM 1370 CA ALA A 85 -12.365 -6.820 -24.135 1.00 0.00 C ATOM 1371 C ALA A 85 -11.016 -6.847 -23.412 1.00 0.00 C ATOM 1372 O ALA A 85 -9.969 -6.695 -24.039 1.00 0.00 O ATOM 1373 CB ALA A 85 -13.277 -5.703 -23.624 1.00 0.00 C ATOM 0 H ALA A 85 -13.726 -8.127 -23.224 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.171 -6.625 -25.190 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.780 -4.741 -23.751 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.209 -5.707 -24.189 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.492 -5.864 -22.568 1.00 0.00 H new ATOM 1379 N TYR A 86 -11.086 -7.042 -22.104 1.00 0.00 N ATOM 1380 CA TYR A 86 -9.884 -7.091 -21.289 1.00 0.00 C ATOM 1381 C TYR A 86 -8.765 -7.845 -22.009 1.00 0.00 C ATOM 1382 O TYR A 86 -7.633 -7.368 -22.077 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.265 -7.857 -20.021 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.068 -8.293 -19.173 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -8.291 -9.360 -19.574 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.765 -7.618 -18.008 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -7.164 -9.770 -18.776 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.639 -8.027 -17.211 1.00 0.00 C ATOM 1389 CZ TYR A 86 -6.894 -9.083 -17.634 1.00 0.00 C ATOM 1390 OH TYR A 86 -5.830 -9.471 -16.881 1.00 0.00 O ATOM 0 H TYR A 86 -11.957 -7.168 -21.588 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.523 -6.085 -21.077 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.919 -7.231 -19.413 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.839 -8.740 -20.301 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.528 -9.888 -20.486 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.373 -6.782 -17.694 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.548 -10.604 -19.078 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.391 -7.507 -16.297 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.756 -8.890 -16.095 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.119 -9.012 -22.528 1.00 0.00 N ATOM 1401 CA LYS A 87 -8.158 -9.837 -23.240 1.00 0.00 C ATOM 1402 C LYS A 87 -7.635 -9.069 -24.456 1.00 0.00 C ATOM 1403 O LYS A 87 -6.434 -9.068 -24.724 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.772 -11.195 -23.588 1.00 0.00 C ATOM 1405 CG LYS A 87 -8.144 -12.311 -22.752 1.00 0.00 C ATOM 1406 CD LYS A 87 -7.144 -13.120 -23.580 1.00 0.00 C ATOM 1407 CE LYS A 87 -7.466 -14.615 -23.521 1.00 0.00 C ATOM 1408 NZ LYS A 87 -8.251 -15.022 -24.708 1.00 0.00 N ATOM 0 H LYS A 87 -10.058 -9.406 -22.469 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.299 -10.054 -22.606 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.848 -11.167 -23.414 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.626 -11.403 -24.648 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.641 -11.882 -21.885 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.925 -12.970 -22.373 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.165 -12.780 -24.616 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.134 -12.947 -23.208 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.542 -15.191 -23.474 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.027 -14.837 -22.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.461 -16.039 -24.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.141 -14.485 -24.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.703 -14.828 -25.570 1.00 0.00 H new ATOM 1422 N GLU A 88 -8.561 -8.433 -25.158 1.00 0.00 N ATOM 1423 CA GLU A 88 -8.208 -7.663 -26.338 1.00 0.00 C ATOM 1424 C GLU A 88 -7.001 -6.770 -26.048 1.00 0.00 C ATOM 1425 O GLU A 88 -6.152 -6.565 -26.915 1.00 0.00 O ATOM 1426 CB GLU A 88 -9.398 -6.835 -26.828 1.00 0.00 C ATOM 1427 CG GLU A 88 -9.240 -5.364 -26.438 1.00 0.00 C ATOM 1428 CD GLU A 88 -10.540 -4.592 -26.670 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -11.584 -5.267 -26.806 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -10.462 -3.345 -26.706 1.00 0.00 O ATOM 0 H GLU A 88 -9.556 -8.435 -24.932 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.938 -8.357 -27.134 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.484 -6.921 -27.911 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.321 -7.231 -26.403 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.952 -5.291 -25.389 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.437 -4.914 -27.021 1.00 0.00 H new ATOM 1437 N TYR A 89 -6.961 -6.262 -24.824 1.00 0.00 N ATOM 1438 CA TYR A 89 -5.872 -5.395 -24.409 1.00 0.00 C ATOM 1439 C TYR A 89 -4.629 -6.212 -24.048 1.00 0.00 C ATOM 1440 O TYR A 89 -3.504 -5.773 -24.281 1.00 0.00 O ATOM 1441 CB TYR A 89 -6.367 -4.664 -23.160 1.00 0.00 C ATOM 1442 CG TYR A 89 -5.247 -4.151 -22.253 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -4.684 -2.913 -22.484 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -4.798 -4.928 -21.204 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -3.630 -2.430 -21.631 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -3.744 -4.445 -20.350 1.00 0.00 C ATOM 1447 CZ TYR A 89 -3.211 -3.220 -20.606 1.00 0.00 C ATOM 1448 OH TYR A 89 -2.215 -2.764 -19.800 1.00 0.00 O ATOM 0 H TYR A 89 -7.666 -6.435 -24.107 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.598 -4.711 -25.212 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.987 -3.821 -23.467 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.005 -5.337 -22.587 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.034 -2.306 -23.306 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.237 -5.898 -21.024 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.182 -1.462 -21.801 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.385 -5.042 -19.525 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.020 -3.433 -19.111 1.00 0.00 H new ATOM 1458 N ILE A 90 -4.874 -7.386 -23.484 1.00 0.00 N ATOM 1459 CA ILE A 90 -3.789 -8.267 -23.089 1.00 0.00 C ATOM 1460 C ILE A 90 -2.884 -8.527 -24.294 1.00 0.00 C ATOM 1461 O ILE A 90 -1.689 -8.239 -24.251 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.342 -9.542 -22.448 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.220 -9.213 -21.240 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.211 -10.509 -22.089 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -4.376 -9.064 -19.973 1.00 0.00 C ATOM 0 H ILE A 90 -5.808 -7.747 -23.291 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.173 -7.794 -22.324 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.976 -10.044 -23.178 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.769 -8.290 -21.426 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.960 -10.001 -21.098 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.630 -11.407 -21.635 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.664 -10.780 -22.992 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.532 -10.029 -21.384 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.025 -8.830 -19.129 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.847 -9.996 -19.777 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.654 -8.259 -20.109 1.00 0.00 H new