USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 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 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 13 MET CE :methyl -154:sc= -0.0464 (180deg=-0.353) USER MOD Single : A 14 ASN : amide:sc= -0.0249 X(o=-0.025,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.679 F(o=-2.6!,f=-0.68) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 80:sc= -0.552 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -3.91! C(o=-4.5!,f=-3.9!) USER MOD Single : A 30 ASN : amide:sc= -2.87! C(o=-2.9!,f=-4.3!) USER MOD Single : A 31 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-3.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 153:sc= -0.117 (180deg=-0.925) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc=-0.00377 X(o=-0.0038,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.876 F(o=-1.4!,f=-0.88) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.741 K(o=-0.74,f=-1.3!) USER MOD Single : A 53 LYS NZ :NH3+ -104:sc= 0.501 (180deg=-0.887) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -9.8! C(o=-11!,f=-9.8!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.818 K(o=-0.82,f=-3.4!) USER MOD Single : A 64 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.46) USER MOD Single : A 66 GLN : amide:sc= -0.472 K(o=-0.47,f=-1.7) 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 : no HD1:sc= -2.3 X(o=-2.3,f=-2!) 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 180:sc= -1.06 USER MOD Single : A 81 GLN : amide:sc= -0.0505 K(o=-0.05,f=-1.5!) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.172 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 -12.177 -3.948 -7.634 1.00 0.00 N ATOM 60 CA GLY A 7 -11.594 -5.211 -7.213 1.00 0.00 C ATOM 61 C GLY A 7 -10.250 -4.989 -6.517 1.00 0.00 C ATOM 62 O GLY A 7 -10.207 -4.671 -5.330 1.00 0.00 O ATOM 0 HA2 GLY A 7 -12.278 -5.724 -6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.457 -5.859 -8.079 1.00 0.00 H new ATOM 66 N PRO A 8 -9.157 -5.171 -7.306 1.00 0.00 N ATOM 67 CA PRO A 8 -7.815 -4.995 -6.778 1.00 0.00 C ATOM 68 C PRO A 8 -7.485 -3.511 -6.603 1.00 0.00 C ATOM 69 O PRO A 8 -7.619 -2.727 -7.541 1.00 0.00 O ATOM 70 CB PRO A 8 -6.905 -5.692 -7.775 1.00 0.00 C ATOM 71 CG PRO A 8 -7.715 -5.828 -9.054 1.00 0.00 C ATOM 72 CD PRO A 8 -9.170 -5.548 -8.716 1.00 0.00 C ATOM 0 HA PRO A 8 -7.695 -5.423 -5.783 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.998 -5.113 -7.947 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.594 -6.669 -7.404 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.357 -5.128 -9.809 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.606 -6.829 -9.470 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.574 -4.748 -9.336 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.792 -6.427 -8.885 1.00 0.00 H new ATOM 80 N LYS A 9 -7.061 -3.170 -5.395 1.00 0.00 N ATOM 81 CA LYS A 9 -6.711 -1.794 -5.085 1.00 0.00 C ATOM 82 C LYS A 9 -5.198 -1.613 -5.227 1.00 0.00 C ATOM 83 O LYS A 9 -4.445 -2.584 -5.169 1.00 0.00 O ATOM 84 CB LYS A 9 -7.252 -1.401 -3.709 1.00 0.00 C ATOM 85 CG LYS A 9 -6.240 -1.728 -2.609 1.00 0.00 C ATOM 86 CD LYS A 9 -5.597 -0.453 -2.059 1.00 0.00 C ATOM 87 CE LYS A 9 -6.188 -0.085 -0.696 1.00 0.00 C ATOM 88 NZ LYS A 9 -7.369 0.791 -0.862 1.00 0.00 N ATOM 0 H LYS A 9 -6.952 -3.823 -4.619 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.181 -1.112 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.479 -0.335 -3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.186 -1.929 -3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.736 -2.267 -1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.468 -2.388 -3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.520 -0.595 -1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.751 0.368 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.472 -0.991 -0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.435 0.421 -0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.757 1.031 0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.088 1.663 -1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.093 0.296 -1.421 1.00 0.00 H new ATOM 102 N LYS A 10 -4.799 -0.363 -5.409 1.00 0.00 N ATOM 103 CA LYS A 10 -3.389 -0.042 -5.559 1.00 0.00 C ATOM 104 C LYS A 10 -2.668 -0.303 -4.235 1.00 0.00 C ATOM 105 O LYS A 10 -2.908 0.389 -3.247 1.00 0.00 O ATOM 106 CB LYS A 10 -3.218 1.385 -6.083 1.00 0.00 C ATOM 107 CG LYS A 10 -1.852 1.563 -6.750 1.00 0.00 C ATOM 108 CD LYS A 10 -2.001 2.153 -8.154 1.00 0.00 C ATOM 109 CE LYS A 10 -1.246 1.312 -9.185 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.192 2.013 -10.487 1.00 0.00 N ATOM 0 H LYS A 10 -5.427 0.440 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.927 -0.688 -6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.009 1.611 -6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.321 2.093 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.228 2.217 -6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.343 0.601 -6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.056 2.202 -8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.622 3.175 -8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.235 1.113 -8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.737 0.346 -9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.676 1.428 -11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.159 2.181 -10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.703 2.923 -10.371 1.00 0.00 H new ATOM 124 N PRO A 11 -1.775 -1.328 -4.259 1.00 0.00 N ATOM 125 CA PRO A 11 -1.016 -1.688 -3.073 1.00 0.00 C ATOM 126 C PRO A 11 0.100 -0.676 -2.808 1.00 0.00 C ATOM 127 O PRO A 11 0.348 0.209 -3.625 1.00 0.00 O ATOM 128 CB PRO A 11 -0.495 -3.088 -3.350 1.00 0.00 C ATOM 129 CG PRO A 11 -0.586 -3.278 -4.855 1.00 0.00 C ATOM 130 CD PRO A 11 -1.464 -2.168 -5.412 1.00 0.00 C ATOM 0 HA PRO A 11 -1.621 -1.675 -2.166 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.533 -3.197 -3.004 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.089 -3.836 -2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.406 -3.242 -5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.009 -4.254 -5.092 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.944 -1.602 -6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.370 -2.570 -5.865 1.00 0.00 H new ATOM 138 N PRO A 12 0.761 -0.845 -1.632 1.00 0.00 N ATOM 139 CA PRO A 12 1.845 0.044 -1.248 1.00 0.00 C ATOM 140 C PRO A 12 3.114 -0.264 -2.045 1.00 0.00 C ATOM 141 O PRO A 12 3.127 -1.176 -2.871 1.00 0.00 O ATOM 142 CB PRO A 12 2.017 -0.168 0.247 1.00 0.00 C ATOM 143 CG PRO A 12 1.346 -1.496 0.560 1.00 0.00 C ATOM 144 CD PRO A 12 0.495 -1.882 -0.639 1.00 0.00 C ATOM 0 HA PRO A 12 1.629 1.090 -1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.072 -0.190 0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.559 0.644 0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.094 -2.264 0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.729 -1.411 1.454 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.765 -2.869 -1.015 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.563 -1.919 -0.378 1.00 0.00 H new ATOM 152 N MET A 13 4.151 0.513 -1.770 1.00 0.00 N ATOM 153 CA MET A 13 5.422 0.335 -2.451 1.00 0.00 C ATOM 154 C MET A 13 6.545 0.051 -1.452 1.00 0.00 C ATOM 155 O MET A 13 7.200 -0.988 -1.527 1.00 0.00 O ATOM 156 CB MET A 13 5.756 1.598 -3.249 1.00 0.00 C ATOM 157 CG MET A 13 4.917 1.677 -4.526 1.00 0.00 C ATOM 158 SD MET A 13 5.925 1.280 -5.944 1.00 0.00 S ATOM 159 CE MET A 13 6.943 2.744 -6.020 1.00 0.00 C ATOM 0 H MET A 13 4.137 1.268 -1.084 1.00 0.00 H new ATOM 0 HA MET A 13 5.335 -0.518 -3.124 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.574 2.480 -2.635 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.816 1.601 -3.505 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.076 0.986 -4.462 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.499 2.678 -4.635 1.00 0.00 H new ATOM 0 HE1 MET A 13 7.285 2.897 -7.044 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.362 3.608 -5.699 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.805 2.622 -5.364 1.00 0.00 H new ATOM 169 N ASN A 14 6.733 0.992 -0.538 1.00 0.00 N ATOM 170 CA ASN A 14 7.765 0.856 0.475 1.00 0.00 C ATOM 171 C ASN A 14 7.129 0.383 1.784 1.00 0.00 C ATOM 172 O ASN A 14 5.915 0.201 1.858 1.00 0.00 O ATOM 173 CB ASN A 14 8.456 2.195 0.741 1.00 0.00 C ATOM 174 CG ASN A 14 9.405 2.559 -0.403 1.00 0.00 C ATOM 175 OD1 ASN A 14 10.389 1.887 -0.665 1.00 0.00 O ATOM 176 ND2 ASN A 14 9.055 3.658 -1.066 1.00 0.00 N ATOM 0 H ASN A 14 6.188 1.852 -0.478 1.00 0.00 H new ATOM 0 HA ASN A 14 8.500 0.137 0.113 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.707 2.978 0.860 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.012 2.142 1.677 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.624 3.985 -1.847 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.218 4.173 -0.793 1.00 0.00 H new ATOM 183 N GLY A 15 7.979 0.199 2.784 1.00 0.00 N ATOM 184 CA GLY A 15 7.515 -0.249 4.087 1.00 0.00 C ATOM 185 C GLY A 15 6.762 0.867 4.814 1.00 0.00 C ATOM 186 O GLY A 15 5.719 0.625 5.419 1.00 0.00 O ATOM 0 H GLY A 15 8.985 0.352 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.863 -1.114 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.365 -0.571 4.689 1.00 0.00 H new ATOM 190 N TYR A 16 7.321 2.066 4.731 1.00 0.00 N ATOM 191 CA TYR A 16 6.715 3.220 5.373 1.00 0.00 C ATOM 192 C TYR A 16 5.299 3.461 4.846 1.00 0.00 C ATOM 193 O TYR A 16 4.357 3.593 5.626 1.00 0.00 O ATOM 194 CB TYR A 16 7.594 4.417 5.005 1.00 0.00 C ATOM 195 CG TYR A 16 7.054 5.760 5.500 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.701 5.916 6.825 1.00 0.00 C ATOM 197 CD2 TYR A 16 6.922 6.816 4.622 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.193 7.180 7.291 1.00 0.00 C ATOM 199 CE2 TYR A 16 6.414 8.081 5.087 1.00 0.00 C ATOM 200 CZ TYR A 16 6.075 8.200 6.399 1.00 0.00 C ATOM 201 OH TYR A 16 5.595 9.395 6.839 1.00 0.00 O ATOM 0 H TYR A 16 8.187 2.263 4.229 1.00 0.00 H new ATOM 0 HA TYR A 16 6.646 3.067 6.450 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.591 4.263 5.418 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.701 4.457 3.921 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.806 5.090 7.513 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.200 6.694 3.585 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.912 7.315 8.325 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.305 8.915 4.410 1.00 0.00 H new ATOM 0 HH TYR A 16 5.566 10.030 6.094 1.00 0.00 H new ATOM 211 N GLN A 17 5.194 3.510 3.527 1.00 0.00 N ATOM 212 CA GLN A 17 3.908 3.733 2.886 1.00 0.00 C ATOM 213 C GLN A 17 2.891 2.693 3.362 1.00 0.00 C ATOM 214 O GLN A 17 1.693 2.968 3.408 1.00 0.00 O ATOM 215 CB GLN A 17 4.044 3.710 1.362 1.00 0.00 C ATOM 216 CG GLN A 17 4.926 4.861 0.873 1.00 0.00 C ATOM 217 CD GLN A 17 4.723 5.110 -0.623 1.00 0.00 C ATOM 218 OE1 GLN A 17 4.474 4.008 -1.325 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 4.788 6.228 -1.107 1.00 0.00 N flip ATOM 0 H GLN A 17 5.978 3.399 2.884 1.00 0.00 H new ATOM 0 HA GLN A 17 3.548 4.722 3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.473 2.759 1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.058 3.783 0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.690 5.767 1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.973 4.630 1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.983 7.032 -0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.647 6.359 -2.109 1.00 0.00 H new ATOM 228 N LYS A 18 3.406 1.521 3.703 1.00 0.00 N ATOM 229 CA LYS A 18 2.558 0.439 4.173 1.00 0.00 C ATOM 230 C LYS A 18 2.005 0.795 5.555 1.00 0.00 C ATOM 231 O LYS A 18 0.805 1.022 5.707 1.00 0.00 O ATOM 232 CB LYS A 18 3.315 -0.890 4.137 1.00 0.00 C ATOM 233 CG LYS A 18 2.764 -1.863 5.180 1.00 0.00 C ATOM 234 CD LYS A 18 1.290 -2.175 4.914 1.00 0.00 C ATOM 235 CE LYS A 18 1.093 -3.656 4.585 1.00 0.00 C ATOM 236 NZ LYS A 18 0.552 -3.815 3.217 1.00 0.00 N ATOM 0 H LYS A 18 4.400 1.297 3.663 1.00 0.00 H new ATOM 0 HA LYS A 18 1.703 0.309 3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.234 -1.332 3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.375 -0.714 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.344 -2.786 5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.875 -1.435 6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.695 -1.911 5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.929 -1.564 4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.043 -4.183 4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.412 -4.108 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.424 -4.826 3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.365 -3.329 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.216 -3.402 2.531 1.00 0.00 H new ATOM 250 N PHE A 19 2.905 0.831 6.526 1.00 0.00 N ATOM 251 CA PHE A 19 2.522 1.155 7.890 1.00 0.00 C ATOM 252 C PHE A 19 1.594 2.371 7.924 1.00 0.00 C ATOM 253 O PHE A 19 0.611 2.386 8.664 1.00 0.00 O ATOM 254 CB PHE A 19 3.808 1.487 8.649 1.00 0.00 C ATOM 255 CG PHE A 19 3.577 2.213 9.976 1.00 0.00 C ATOM 256 CD1 PHE A 19 2.936 1.581 10.994 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.014 3.491 10.136 1.00 0.00 C ATOM 258 CE1 PHE A 19 2.722 2.255 12.226 1.00 0.00 C ATOM 259 CE2 PHE A 19 3.800 4.165 11.367 1.00 0.00 C ATOM 260 CZ PHE A 19 3.159 3.533 12.386 1.00 0.00 C ATOM 0 H PHE A 19 3.899 0.641 6.396 1.00 0.00 H new ATOM 0 HA PHE A 19 1.992 0.314 8.338 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.353 0.563 8.842 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.443 2.105 8.014 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.589 0.566 10.866 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.524 3.993 9.327 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.213 1.753 13.035 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.146 5.180 11.494 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.997 4.046 13.323 1.00 0.00 H new ATOM 270 N SER A 20 1.939 3.361 7.115 1.00 0.00 N ATOM 271 CA SER A 20 1.149 4.579 7.044 1.00 0.00 C ATOM 272 C SER A 20 -0.309 4.240 6.730 1.00 0.00 C ATOM 273 O SER A 20 -1.220 4.712 7.408 1.00 0.00 O ATOM 274 CB SER A 20 1.709 5.538 5.992 1.00 0.00 C ATOM 275 OG SER A 20 2.929 6.143 6.416 1.00 0.00 O ATOM 0 H SER A 20 2.755 3.345 6.503 1.00 0.00 H new ATOM 0 HA SER A 20 1.199 5.076 8.013 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.877 4.997 5.061 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.974 6.314 5.781 1.00 0.00 H new ATOM 0 HG SER A 20 3.669 5.514 6.284 1.00 0.00 H new ATOM 281 N GLN A 21 -0.485 3.423 5.702 1.00 0.00 N ATOM 282 CA GLN A 21 -1.817 3.015 5.289 1.00 0.00 C ATOM 283 C GLN A 21 -2.572 2.398 6.469 1.00 0.00 C ATOM 284 O GLN A 21 -3.788 2.548 6.578 1.00 0.00 O ATOM 285 CB GLN A 21 -1.752 2.041 4.111 1.00 0.00 C ATOM 286 CG GLN A 21 -2.010 2.764 2.787 1.00 0.00 C ATOM 287 CD GLN A 21 -1.204 2.132 1.651 1.00 0.00 C ATOM 288 OE1 GLN A 21 -0.249 2.697 1.144 1.00 0.00 O ATOM 289 NE2 GLN A 21 -1.641 0.931 1.281 1.00 0.00 N ATOM 0 H GLN A 21 0.273 3.032 5.143 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.360 3.900 4.957 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.773 1.563 4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.489 1.250 4.247 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.073 2.725 2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.743 3.816 2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.447 0.515 1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.170 0.426 0.530 1.00 0.00 H new ATOM 298 N GLU A 22 -1.820 1.718 7.321 1.00 0.00 N ATOM 299 CA GLU A 22 -2.403 1.078 8.488 1.00 0.00 C ATOM 300 C GLU A 22 -2.978 2.130 9.438 1.00 0.00 C ATOM 301 O GLU A 22 -4.070 1.954 9.977 1.00 0.00 O ATOM 302 CB GLU A 22 -1.375 0.198 9.202 1.00 0.00 C ATOM 303 CG GLU A 22 -2.016 -1.097 9.705 1.00 0.00 C ATOM 304 CD GLU A 22 -1.246 -2.321 9.205 1.00 0.00 C ATOM 305 OE1 GLU A 22 -0.892 -2.318 8.006 1.00 0.00 O ATOM 306 OE2 GLU A 22 -1.028 -3.232 10.033 1.00 0.00 O ATOM 0 H GLU A 22 -0.812 1.596 7.227 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.216 0.433 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.557 -0.038 8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.944 0.744 10.041 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.037 -1.097 10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.051 -1.150 9.366 1.00 0.00 H new ATOM 313 N LEU A 23 -2.218 3.200 9.615 1.00 0.00 N ATOM 314 CA LEU A 23 -2.638 4.281 10.491 1.00 0.00 C ATOM 315 C LEU A 23 -3.796 5.039 9.838 1.00 0.00 C ATOM 316 O LEU A 23 -4.656 5.582 10.530 1.00 0.00 O ATOM 317 CB LEU A 23 -1.447 5.170 10.854 1.00 0.00 C ATOM 318 CG LEU A 23 -0.362 4.519 11.714 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.031 4.973 11.275 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.609 4.783 13.201 1.00 0.00 C ATOM 0 H LEU A 23 -1.313 3.342 9.167 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.009 3.884 11.436 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.988 5.523 9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.821 6.048 11.380 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.410 3.440 11.566 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.784 4.496 11.902 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.194 4.692 10.235 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.109 6.056 11.375 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.176 4.309 13.790 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.603 5.857 13.386 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.576 4.371 13.488 1.00 0.00 H new ATOM 332 N LEU A 24 -3.779 5.054 8.513 1.00 0.00 N ATOM 333 CA LEU A 24 -4.817 5.737 7.760 1.00 0.00 C ATOM 334 C LEU A 24 -6.105 4.912 7.809 1.00 0.00 C ATOM 335 O LEU A 24 -7.201 5.459 7.700 1.00 0.00 O ATOM 336 CB LEU A 24 -4.336 6.040 6.339 1.00 0.00 C ATOM 337 CG LEU A 24 -3.259 7.120 6.212 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.118 7.587 4.762 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.535 8.285 7.165 1.00 0.00 C ATOM 0 H LEU A 24 -3.063 4.604 7.942 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.040 6.704 8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.952 5.118 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.197 6.341 5.742 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.303 6.684 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.346 8.354 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.840 6.741 4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.067 7.999 4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.755 9.038 7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.503 8.727 6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.544 7.920 8.192 1.00 0.00 H new ATOM 351 N SER A 25 -5.929 3.609 7.975 1.00 0.00 N ATOM 352 CA SER A 25 -7.063 2.704 8.040 1.00 0.00 C ATOM 353 C SER A 25 -7.440 2.442 9.500 1.00 0.00 C ATOM 354 O SER A 25 -8.565 2.038 9.792 1.00 0.00 O ATOM 355 CB SER A 25 -6.758 1.385 7.326 1.00 0.00 C ATOM 356 OG SER A 25 -7.816 0.992 6.457 1.00 0.00 O ATOM 0 H SER A 25 -5.018 3.159 8.066 1.00 0.00 H new ATOM 0 HA SER A 25 -7.905 3.174 7.532 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.837 1.488 6.752 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.587 0.603 8.066 1.00 0.00 H new ATOM 0 HG SER A 25 -7.583 0.147 6.019 1.00 0.00 H new ATOM 362 N ASN A 26 -6.478 2.682 10.379 1.00 0.00 N ATOM 363 CA ASN A 26 -6.694 2.478 11.801 1.00 0.00 C ATOM 364 C ASN A 26 -7.532 3.631 12.356 1.00 0.00 C ATOM 365 O ASN A 26 -8.629 3.416 12.868 1.00 0.00 O ATOM 366 CB ASN A 26 -5.367 2.448 12.561 1.00 0.00 C ATOM 367 CG ASN A 26 -4.645 1.116 12.352 1.00 0.00 C ATOM 368 OD1 ASN A 26 -3.322 1.225 12.270 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -5.248 0.059 12.269 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.546 3.016 10.133 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.205 1.524 11.931 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.732 3.267 12.223 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.549 2.604 13.624 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.265 0.045 12.340 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.735 -0.811 12.128 1.00 0.00 H new ATOM 376 N GLY A 27 -6.983 4.831 12.235 1.00 0.00 N ATOM 377 CA GLY A 27 -7.666 6.019 12.719 1.00 0.00 C ATOM 378 C GLY A 27 -7.063 6.498 14.041 1.00 0.00 C ATOM 379 O GLY A 27 -7.739 7.151 14.835 1.00 0.00 O ATOM 0 H GLY A 27 -6.073 5.006 11.809 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.595 6.812 11.975 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.726 5.803 12.856 1.00 0.00 H new ATOM 383 N GLU A 28 -5.799 6.154 14.237 1.00 0.00 N ATOM 384 CA GLU A 28 -5.098 6.541 15.450 1.00 0.00 C ATOM 385 C GLU A 28 -4.669 8.007 15.370 1.00 0.00 C ATOM 386 O GLU A 28 -4.219 8.581 16.361 1.00 0.00 O ATOM 387 CB GLU A 28 -3.894 5.630 15.701 1.00 0.00 C ATOM 388 CG GLU A 28 -4.112 4.249 15.079 1.00 0.00 C ATOM 389 CD GLU A 28 -3.300 3.182 15.816 1.00 0.00 C ATOM 390 OE1 GLU A 28 -2.062 3.345 15.867 1.00 0.00 O ATOM 391 OE2 GLU A 28 -3.936 2.227 16.312 1.00 0.00 O ATOM 0 H GLU A 28 -5.242 5.612 13.577 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.780 6.428 16.293 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.996 6.084 15.282 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.728 5.528 16.773 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.171 3.994 15.114 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.823 4.270 14.028 1.00 0.00 H new ATOM 398 N LEU A 29 -4.822 8.572 14.181 1.00 0.00 N ATOM 399 CA LEU A 29 -4.456 9.960 13.959 1.00 0.00 C ATOM 400 C LEU A 29 -5.567 10.657 13.171 1.00 0.00 C ATOM 401 O LEU A 29 -5.292 11.467 12.288 1.00 0.00 O ATOM 402 CB LEU A 29 -3.080 10.052 13.295 1.00 0.00 C ATOM 403 CG LEU A 29 -2.186 8.818 13.432 1.00 0.00 C ATOM 404 CD1 LEU A 29 -1.132 8.780 12.323 1.00 0.00 C ATOM 405 CD2 LEU A 29 -1.556 8.750 14.824 1.00 0.00 C ATOM 0 H LEU A 29 -5.195 8.093 13.361 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.362 10.485 14.909 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.223 10.256 12.234 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.552 10.908 13.716 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.808 7.930 13.316 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.509 7.893 12.443 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.626 8.748 11.352 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.508 9.672 12.383 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.925 7.864 14.895 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.951 9.641 14.993 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.342 8.697 15.577 1.00 0.00 H new ATOM 417 N ASN A 30 -6.799 10.315 13.519 1.00 0.00 N ATOM 418 CA ASN A 30 -7.953 10.897 12.855 1.00 0.00 C ATOM 419 C ASN A 30 -8.365 12.176 13.587 1.00 0.00 C ATOM 420 O ASN A 30 -9.374 12.792 13.247 1.00 0.00 O ATOM 421 CB ASN A 30 -9.143 9.936 12.876 1.00 0.00 C ATOM 422 CG ASN A 30 -9.727 9.816 14.284 1.00 0.00 C ATOM 423 OD1 ASN A 30 -10.107 10.791 14.912 1.00 0.00 O ATOM 424 ND2 ASN A 30 -9.777 8.569 14.745 1.00 0.00 N ATOM 0 H ASN A 30 -7.023 9.642 14.252 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.678 11.107 11.822 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.912 10.289 12.189 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.828 8.954 12.524 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.150 8.384 15.676 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.442 7.798 14.167 1.00 0.00 H new ATOM 431 N HIS A 31 -7.564 12.537 14.579 1.00 0.00 N ATOM 432 CA HIS A 31 -7.834 13.731 15.362 1.00 0.00 C ATOM 433 C HIS A 31 -7.243 14.952 14.654 1.00 0.00 C ATOM 434 O HIS A 31 -7.751 16.063 14.800 1.00 0.00 O ATOM 435 CB HIS A 31 -7.319 13.569 16.794 1.00 0.00 C ATOM 436 CG HIS A 31 -5.829 13.347 16.890 1.00 0.00 C ATOM 437 ND1 HIS A 31 -5.243 12.105 16.720 1.00 0.00 N ATOM 438 CD2 HIS A 31 -4.812 14.222 17.139 1.00 0.00 C ATOM 439 CE1 HIS A 31 -3.933 12.237 16.863 1.00 0.00 C ATOM 440 NE2 HIS A 31 -3.668 13.549 17.123 1.00 0.00 N ATOM 0 H HIS A 31 -6.728 12.024 14.858 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.910 13.884 15.440 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.581 14.459 17.366 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.832 12.728 17.261 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -4.920 15.282 17.319 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.203 11.445 16.787 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -2.742 13.948 17.280 1.00 0.00 H new ATOM 448 N LEU A 32 -6.180 14.705 13.904 1.00 0.00 N ATOM 449 CA LEU A 32 -5.515 15.771 13.174 1.00 0.00 C ATOM 450 C LEU A 32 -5.735 15.569 11.673 1.00 0.00 C ATOM 451 O LEU A 32 -6.096 14.477 11.236 1.00 0.00 O ATOM 452 CB LEU A 32 -4.041 15.856 13.574 1.00 0.00 C ATOM 453 CG LEU A 32 -3.365 14.530 13.931 1.00 0.00 C ATOM 454 CD1 LEU A 32 -3.161 13.666 12.685 1.00 0.00 C ATOM 455 CD2 LEU A 32 -2.055 14.768 14.685 1.00 0.00 C ATOM 0 H LEU A 32 -5.762 13.782 13.786 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.947 16.738 13.433 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.488 16.313 12.753 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.955 16.527 14.429 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.026 13.979 14.600 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.679 12.730 12.966 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.127 13.453 12.227 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.531 14.198 11.972 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.595 13.810 14.927 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.376 15.349 14.061 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.259 15.315 15.606 1.00 0.00 H new ATOM 467 N PRO A 33 -5.500 16.666 10.905 1.00 0.00 N ATOM 468 CA PRO A 33 -5.669 16.620 9.462 1.00 0.00 C ATOM 469 C PRO A 33 -4.513 15.867 8.800 1.00 0.00 C ATOM 470 O PRO A 33 -3.459 15.683 9.406 1.00 0.00 O ATOM 471 CB PRO A 33 -5.756 18.074 9.030 1.00 0.00 C ATOM 472 CG PRO A 33 -5.170 18.886 10.174 1.00 0.00 C ATOM 473 CD PRO A 33 -5.071 17.975 11.387 1.00 0.00 C ATOM 0 HA PRO A 33 -6.563 16.075 9.159 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.200 18.241 8.108 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.789 18.362 8.836 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.187 19.271 9.904 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.801 19.747 10.394 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.052 17.940 11.774 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.708 18.326 12.199 1.00 0.00 H new ATOM 481 N LEU A 34 -4.751 15.452 7.564 1.00 0.00 N ATOM 482 CA LEU A 34 -3.744 14.724 6.812 1.00 0.00 C ATOM 483 C LEU A 34 -2.394 15.428 6.961 1.00 0.00 C ATOM 484 O LEU A 34 -1.423 14.826 7.418 1.00 0.00 O ATOM 485 CB LEU A 34 -4.186 14.543 5.359 1.00 0.00 C ATOM 486 CG LEU A 34 -3.290 13.658 4.490 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.842 14.151 4.514 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.402 12.189 4.906 1.00 0.00 C ATOM 0 H LEU A 34 -5.627 15.606 7.065 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.625 13.717 7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.191 14.122 5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.251 15.527 4.895 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.637 13.729 3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.227 13.504 3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.799 15.172 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.467 14.129 5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.755 11.581 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.096 12.081 5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.434 11.857 4.795 1.00 0.00 H new ATOM 500 N LYS A 35 -2.375 16.693 6.567 1.00 0.00 N ATOM 501 CA LYS A 35 -1.161 17.485 6.652 1.00 0.00 C ATOM 502 C LYS A 35 -0.429 17.153 7.954 1.00 0.00 C ATOM 503 O LYS A 35 0.796 17.244 8.023 1.00 0.00 O ATOM 504 CB LYS A 35 -1.479 18.973 6.487 1.00 0.00 C ATOM 505 CG LYS A 35 -0.203 19.816 6.540 1.00 0.00 C ATOM 506 CD LYS A 35 0.410 19.971 5.147 1.00 0.00 C ATOM 507 CE LYS A 35 1.234 21.257 5.051 1.00 0.00 C ATOM 508 NZ LYS A 35 0.355 22.417 4.783 1.00 0.00 N ATOM 0 H LYS A 35 -3.182 17.189 6.188 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.485 17.234 5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.988 19.137 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.163 19.292 7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.429 20.799 6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.519 19.348 7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.043 19.112 4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.381 19.985 4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.782 21.415 5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.974 21.163 4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.930 23.281 4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.149 22.271 3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.335 22.515 5.555 1.00 0.00 H new ATOM 522 N GLU A 36 -1.211 16.776 8.955 1.00 0.00 N ATOM 523 CA GLU A 36 -0.653 16.430 10.251 1.00 0.00 C ATOM 524 C GLU A 36 -0.426 14.919 10.345 1.00 0.00 C ATOM 525 O GLU A 36 0.614 14.473 10.826 1.00 0.00 O ATOM 526 CB GLU A 36 -1.556 16.920 11.385 1.00 0.00 C ATOM 527 CG GLU A 36 -1.278 18.389 11.710 1.00 0.00 C ATOM 528 CD GLU A 36 -0.114 18.521 12.695 1.00 0.00 C ATOM 529 OE1 GLU A 36 -0.368 18.331 13.904 1.00 0.00 O ATOM 530 OE2 GLU A 36 1.004 18.810 12.216 1.00 0.00 O ATOM 0 H GLU A 36 -2.227 16.703 8.895 1.00 0.00 H new ATOM 0 HA GLU A 36 0.310 16.930 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.601 16.798 11.101 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.394 16.310 12.274 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.046 18.931 10.793 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.172 18.847 12.134 1.00 0.00 H new ATOM 537 N ARG A 37 -1.417 14.174 9.877 1.00 0.00 N ATOM 538 CA ARG A 37 -1.338 12.723 9.902 1.00 0.00 C ATOM 539 C ARG A 37 -0.001 12.254 9.324 1.00 0.00 C ATOM 540 O ARG A 37 0.731 11.507 9.971 1.00 0.00 O ATOM 541 CB ARG A 37 -2.481 12.096 9.102 1.00 0.00 C ATOM 542 CG ARG A 37 -3.839 12.493 9.682 1.00 0.00 C ATOM 543 CD ARG A 37 -4.955 11.608 9.121 1.00 0.00 C ATOM 544 NE ARG A 37 -6.264 12.046 9.654 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.446 11.615 9.191 1.00 0.00 C ATOM 546 NH1 ARG A 37 -7.489 10.733 8.184 1.00 0.00 N ATOM 547 NH2 ARG A 37 -8.584 12.067 9.736 1.00 0.00 N ATOM 0 H ARG A 37 -2.278 14.548 9.479 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.420 12.404 10.941 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.419 12.415 8.062 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.382 11.011 9.109 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.814 12.407 10.768 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.047 13.537 9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.960 11.661 8.032 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.774 10.567 9.388 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.267 12.718 10.422 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.623 10.389 7.770 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.388 10.405 7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.551 12.739 10.503 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.483 11.739 9.384 1.00 0.00 H new ATOM 561 N MET A 38 0.276 12.712 8.112 1.00 0.00 N ATOM 562 CA MET A 38 1.512 12.349 7.440 1.00 0.00 C ATOM 563 C MET A 38 2.727 12.686 8.306 1.00 0.00 C ATOM 564 O MET A 38 3.827 12.193 8.058 1.00 0.00 O ATOM 565 CB MET A 38 1.609 13.099 6.109 1.00 0.00 C ATOM 566 CG MET A 38 0.902 12.328 4.993 1.00 0.00 C ATOM 567 SD MET A 38 2.080 11.327 4.101 1.00 0.00 S ATOM 568 CE MET A 38 1.814 9.751 4.898 1.00 0.00 C ATOM 0 H MET A 38 -0.334 13.331 7.578 1.00 0.00 H new ATOM 0 HA MET A 38 1.504 11.274 7.262 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.163 14.088 6.212 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.656 13.247 5.846 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.121 11.696 5.415 1.00 0.00 H new ATOM 0 HG3 MET A 38 0.414 13.025 4.311 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.070 8.947 4.208 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.443 9.682 5.786 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.767 9.662 5.187 1.00 0.00 H new ATOM 578 N VAL A 39 2.488 13.524 9.304 1.00 0.00 N ATOM 579 CA VAL A 39 3.550 13.933 10.208 1.00 0.00 C ATOM 580 C VAL A 39 3.597 12.974 11.399 1.00 0.00 C ATOM 581 O VAL A 39 4.621 12.340 11.650 1.00 0.00 O ATOM 582 CB VAL A 39 3.351 15.392 10.623 1.00 0.00 C ATOM 583 CG1 VAL A 39 4.685 16.045 10.989 1.00 0.00 C ATOM 584 CG2 VAL A 39 2.637 16.182 9.524 1.00 0.00 C ATOM 0 H VAL A 39 1.575 13.931 9.507 1.00 0.00 H new ATOM 0 HA VAL A 39 4.518 13.880 9.709 1.00 0.00 H new ATOM 0 HB VAL A 39 2.718 15.404 11.510 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.515 17.082 11.280 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.139 15.505 11.820 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.353 16.015 10.128 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.508 17.216 9.844 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.233 16.156 8.612 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.661 15.737 9.332 1.00 0.00 H new ATOM 594 N GLU A 40 2.476 12.898 12.102 1.00 0.00 N ATOM 595 CA GLU A 40 2.377 12.027 13.260 1.00 0.00 C ATOM 596 C GLU A 40 2.858 10.618 12.908 1.00 0.00 C ATOM 597 O GLU A 40 3.499 9.955 13.722 1.00 0.00 O ATOM 598 CB GLU A 40 0.947 11.999 13.804 1.00 0.00 C ATOM 599 CG GLU A 40 0.937 12.126 15.329 1.00 0.00 C ATOM 600 CD GLU A 40 1.647 13.405 15.777 1.00 0.00 C ATOM 601 OE1 GLU A 40 1.189 14.487 15.350 1.00 0.00 O ATOM 602 OE2 GLU A 40 2.631 13.272 16.536 1.00 0.00 O ATOM 0 H GLU A 40 1.629 13.426 11.891 1.00 0.00 H new ATOM 0 HA GLU A 40 3.021 12.424 14.045 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.371 12.813 13.364 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.461 11.069 13.510 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.091 12.131 15.690 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.427 11.259 15.773 1.00 0.00 H new ATOM 609 N ILE A 41 2.530 10.202 11.694 1.00 0.00 N ATOM 610 CA ILE A 41 2.920 8.883 11.224 1.00 0.00 C ATOM 611 C ILE A 41 4.447 8.794 11.179 1.00 0.00 C ATOM 612 O ILE A 41 5.042 7.943 11.838 1.00 0.00 O ATOM 613 CB ILE A 41 2.246 8.570 9.886 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.723 8.645 10.008 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.712 7.219 9.341 1.00 0.00 C ATOM 616 CD1 ILE A 41 0.073 8.862 8.640 1.00 0.00 C ATOM 0 H ILE A 41 1.999 10.755 11.021 1.00 0.00 H new ATOM 0 HA ILE A 41 2.575 8.114 11.916 1.00 0.00 H new ATOM 0 HB ILE A 41 2.548 9.330 9.165 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.345 7.724 10.452 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.448 9.459 10.678 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.218 7.021 8.390 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.792 7.240 9.192 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.459 6.433 10.052 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.010 8.912 8.755 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.435 9.795 8.209 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.330 8.034 7.980 1.00 0.00 H new ATOM 628 N GLY A 42 5.037 9.684 10.395 1.00 0.00 N ATOM 629 CA GLY A 42 6.483 9.717 10.256 1.00 0.00 C ATOM 630 C GLY A 42 7.169 9.467 11.601 1.00 0.00 C ATOM 631 O GLY A 42 8.238 8.861 11.654 1.00 0.00 O ATOM 0 H GLY A 42 4.540 10.388 9.849 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.800 8.962 9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.792 10.685 9.860 1.00 0.00 H new ATOM 635 N SER A 43 6.526 9.949 12.655 1.00 0.00 N ATOM 636 CA SER A 43 7.061 9.786 13.996 1.00 0.00 C ATOM 637 C SER A 43 6.925 8.328 14.441 1.00 0.00 C ATOM 638 O SER A 43 7.912 7.693 14.809 1.00 0.00 O ATOM 639 CB SER A 43 6.352 10.711 14.988 1.00 0.00 C ATOM 640 OG SER A 43 7.261 11.289 15.921 1.00 0.00 O ATOM 0 H SER A 43 5.640 10.452 12.607 1.00 0.00 H new ATOM 0 HA SER A 43 8.117 10.057 13.978 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.839 11.503 14.442 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.589 10.149 15.526 1.00 0.00 H new ATOM 0 HG SER A 43 6.771 11.874 16.536 1.00 0.00 H new ATOM 646 N ARG A 44 5.694 7.840 14.390 1.00 0.00 N ATOM 647 CA ARG A 44 5.417 6.469 14.783 1.00 0.00 C ATOM 648 C ARG A 44 6.291 5.500 13.984 1.00 0.00 C ATOM 649 O ARG A 44 6.749 4.489 14.515 1.00 0.00 O ATOM 650 CB ARG A 44 3.944 6.119 14.558 1.00 0.00 C ATOM 651 CG ARG A 44 3.033 7.018 15.396 1.00 0.00 C ATOM 652 CD ARG A 44 1.788 6.259 15.858 1.00 0.00 C ATOM 653 NE ARG A 44 2.093 5.484 17.082 1.00 0.00 N ATOM 654 CZ ARG A 44 2.352 6.035 18.275 1.00 0.00 C ATOM 655 NH1 ARG A 44 2.345 7.368 18.413 1.00 0.00 N ATOM 656 NH2 ARG A 44 2.618 5.254 19.331 1.00 0.00 N ATOM 0 H ARG A 44 4.878 8.369 14.083 1.00 0.00 H new ATOM 0 HA ARG A 44 5.644 6.377 15.845 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.698 6.229 13.502 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.771 5.075 14.819 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.580 7.389 16.263 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.736 7.888 14.810 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.977 6.960 16.054 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.447 5.589 15.069 1.00 0.00 H new ATOM 0 HE ARG A 44 2.107 4.466 17.012 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.142 7.963 17.610 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.542 7.788 19.321 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.623 4.239 19.226 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.815 5.674 20.239 1.00 0.00 H new ATOM 670 N TRP A 45 6.498 5.844 12.721 1.00 0.00 N ATOM 671 CA TRP A 45 7.309 5.017 11.844 1.00 0.00 C ATOM 672 C TRP A 45 8.748 5.046 12.365 1.00 0.00 C ATOM 673 O TRP A 45 9.474 4.060 12.246 1.00 0.00 O ATOM 674 CB TRP A 45 7.191 5.480 10.390 1.00 0.00 C ATOM 675 CG TRP A 45 8.195 4.820 9.443 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.379 5.295 9.035 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.053 3.536 8.799 1.00 0.00 C ATOM 678 NE1 TRP A 45 10.009 4.415 8.178 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.177 3.312 8.030 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.010 2.596 8.864 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.365 2.153 7.267 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.213 1.443 8.096 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.338 1.202 7.317 1.00 0.00 C ATOM 0 H TRP A 45 6.118 6.684 12.284 1.00 0.00 H new ATOM 0 HA TRP A 45 6.956 3.986 11.851 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.182 5.273 10.034 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.327 6.561 10.351 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.789 6.247 9.338 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.918 4.550 7.735 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.122 2.751 9.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.254 2.001 6.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.441 0.688 8.110 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.420 0.285 6.752 1.00 0.00 H new ATOM 694 N GLN A 46 9.116 6.186 12.931 1.00 0.00 N ATOM 695 CA GLN A 46 10.454 6.355 13.471 1.00 0.00 C ATOM 696 C GLN A 46 10.601 5.578 14.781 1.00 0.00 C ATOM 697 O GLN A 46 11.712 5.386 15.271 1.00 0.00 O ATOM 698 CB GLN A 46 10.781 7.836 13.672 1.00 0.00 C ATOM 699 CG GLN A 46 11.314 8.460 12.381 1.00 0.00 C ATOM 700 CD GLN A 46 12.755 8.943 12.560 1.00 0.00 C ATOM 701 OE1 GLN A 46 13.022 9.977 13.151 1.00 0.00 O ATOM 702 NE2 GLN A 46 13.666 8.140 12.017 1.00 0.00 N ATOM 0 H GLN A 46 8.511 7.001 13.027 1.00 0.00 H new ATOM 0 HA GLN A 46 11.168 5.953 12.752 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.887 8.369 13.995 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.521 7.944 14.465 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.269 7.729 11.574 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.680 9.297 12.088 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.374 7.289 11.536 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.656 8.375 12.082 1.00 0.00 H new ATOM 711 N ARG A 47 9.463 5.154 15.310 1.00 0.00 N ATOM 712 CA ARG A 47 9.450 4.403 16.554 1.00 0.00 C ATOM 713 C ARG A 47 9.740 2.925 16.284 1.00 0.00 C ATOM 714 O ARG A 47 10.709 2.373 16.805 1.00 0.00 O ATOM 715 CB ARG A 47 8.099 4.529 17.260 1.00 0.00 C ATOM 716 CG ARG A 47 7.811 5.984 17.635 1.00 0.00 C ATOM 717 CD ARG A 47 6.404 6.132 18.218 1.00 0.00 C ATOM 718 NE ARG A 47 6.449 5.996 19.691 1.00 0.00 N ATOM 719 CZ ARG A 47 7.034 6.881 20.509 1.00 0.00 C ATOM 720 NH1 ARG A 47 7.627 7.971 20.004 1.00 0.00 N ATOM 721 NH2 ARG A 47 7.026 6.675 21.834 1.00 0.00 N ATOM 0 H ARG A 47 8.543 5.316 14.900 1.00 0.00 H new ATOM 0 HA ARG A 47 10.224 4.818 17.200 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.308 4.154 16.610 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.094 3.910 18.157 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.547 6.329 18.361 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.912 6.617 16.754 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.989 7.103 17.947 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.745 5.374 17.795 1.00 0.00 H new ATOM 0 HE ARG A 47 6.007 5.177 20.109 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.633 8.127 18.996 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.072 8.644 20.627 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.575 5.845 22.218 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.471 7.348 22.458 1.00 0.00 H new ATOM 735 N ILE A 48 8.883 2.325 15.470 1.00 0.00 N ATOM 736 CA ILE A 48 9.036 0.922 15.125 1.00 0.00 C ATOM 737 C ILE A 48 10.517 0.615 14.899 1.00 0.00 C ATOM 738 O ILE A 48 11.312 1.521 14.654 1.00 0.00 O ATOM 739 CB ILE A 48 8.144 0.563 13.935 1.00 0.00 C ATOM 740 CG1 ILE A 48 8.349 1.547 12.781 1.00 0.00 C ATOM 741 CG2 ILE A 48 6.676 0.472 14.357 1.00 0.00 C ATOM 742 CD1 ILE A 48 7.455 1.190 11.591 1.00 0.00 C ATOM 0 H ILE A 48 8.081 2.785 15.040 1.00 0.00 H new ATOM 0 HA ILE A 48 8.702 0.289 15.947 1.00 0.00 H new ATOM 0 HB ILE A 48 8.436 -0.423 13.574 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.126 2.559 13.118 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.394 1.537 12.471 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.064 0.216 13.492 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.564 -0.297 15.121 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.353 1.432 14.758 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.620 1.905 10.785 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.698 0.186 11.242 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.410 1.224 11.898 1.00 0.00 H new ATOM 754 N SER A 49 10.843 -0.666 14.988 1.00 0.00 N ATOM 755 CA SER A 49 12.216 -1.104 14.796 1.00 0.00 C ATOM 756 C SER A 49 12.434 -1.515 13.338 1.00 0.00 C ATOM 757 O SER A 49 11.538 -1.371 12.508 1.00 0.00 O ATOM 758 CB SER A 49 12.560 -2.264 15.732 1.00 0.00 C ATOM 759 OG SER A 49 12.875 -1.814 17.046 1.00 0.00 O ATOM 0 H SER A 49 10.181 -1.415 15.190 1.00 0.00 H new ATOM 0 HA SER A 49 12.878 -0.272 15.035 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.718 -2.955 15.778 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.406 -2.819 15.326 1.00 0.00 H new ATOM 0 HG SER A 49 13.087 -2.584 17.613 1.00 0.00 H new ATOM 765 N GLN A 50 13.630 -2.020 13.072 1.00 0.00 N ATOM 766 CA GLN A 50 13.978 -2.453 11.729 1.00 0.00 C ATOM 767 C GLN A 50 12.983 -3.506 11.237 1.00 0.00 C ATOM 768 O GLN A 50 12.383 -3.350 10.175 1.00 0.00 O ATOM 769 CB GLN A 50 15.411 -2.986 11.679 1.00 0.00 C ATOM 770 CG GLN A 50 15.838 -3.275 10.239 1.00 0.00 C ATOM 771 CD GLN A 50 15.607 -2.056 9.343 1.00 0.00 C ATOM 772 OE1 GLN A 50 14.364 -1.951 8.882 1.00 0.00 O flip ATOM 773 NE2 GLN A 50 16.499 -1.263 9.088 1.00 0.00 N flip ATOM 0 H GLN A 50 14.370 -2.139 13.764 1.00 0.00 H new ATOM 0 HA GLN A 50 13.923 -1.591 11.064 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.089 -2.258 12.124 1.00 0.00 H new ATOM 0 HB3 GLN A 50 15.485 -3.896 12.274 1.00 0.00 H new ATOM 0 HG2 GLN A 50 16.892 -3.552 10.217 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.276 -4.126 9.853 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.432 -1.403 9.475 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.311 -0.460 8.487 1.00 0.00 H new ATOM 782 N SER A 51 12.839 -4.555 12.033 1.00 0.00 N ATOM 783 CA SER A 51 11.927 -5.634 11.692 1.00 0.00 C ATOM 784 C SER A 51 10.665 -5.066 11.040 1.00 0.00 C ATOM 785 O SER A 51 10.393 -5.332 9.870 1.00 0.00 O ATOM 786 CB SER A 51 11.561 -6.458 12.928 1.00 0.00 C ATOM 787 OG SER A 51 10.764 -7.592 12.597 1.00 0.00 O ATOM 0 H SER A 51 13.339 -4.681 12.913 1.00 0.00 H new ATOM 0 HA SER A 51 12.428 -6.294 10.984 1.00 0.00 H new ATOM 0 HB2 SER A 51 12.472 -6.788 13.426 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.021 -5.829 13.636 1.00 0.00 H new ATOM 0 HG SER A 51 10.553 -8.093 13.413 1.00 0.00 H new ATOM 793 N GLN A 52 9.928 -4.294 11.825 1.00 0.00 N ATOM 794 CA GLN A 52 8.701 -3.686 11.339 1.00 0.00 C ATOM 795 C GLN A 52 8.930 -3.054 9.965 1.00 0.00 C ATOM 796 O GLN A 52 8.458 -3.571 8.953 1.00 0.00 O ATOM 797 CB GLN A 52 8.168 -2.654 12.335 1.00 0.00 C ATOM 798 CG GLN A 52 6.830 -3.103 12.926 1.00 0.00 C ATOM 799 CD GLN A 52 6.887 -4.569 13.360 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.491 -5.472 12.641 1.00 0.00 O ATOM 801 NE2 GLN A 52 7.400 -4.755 14.573 1.00 0.00 N ATOM 0 H GLN A 52 10.157 -4.076 12.795 1.00 0.00 H new ATOM 0 HA GLN A 52 7.947 -4.467 11.237 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.893 -2.508 13.136 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.045 -1.692 11.837 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.578 -2.476 13.781 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.039 -2.969 12.188 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.713 -3.955 15.123 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.481 -5.698 14.954 1.00 0.00 H new ATOM 810 N LYS A 53 9.655 -1.945 9.972 1.00 0.00 N ATOM 811 CA LYS A 53 9.952 -1.237 8.739 1.00 0.00 C ATOM 812 C LYS A 53 10.297 -2.250 7.645 1.00 0.00 C ATOM 813 O LYS A 53 9.894 -2.087 6.494 1.00 0.00 O ATOM 814 CB LYS A 53 11.042 -0.189 8.972 1.00 0.00 C ATOM 815 CG LYS A 53 10.575 0.876 9.966 1.00 0.00 C ATOM 816 CD LYS A 53 11.761 1.676 10.509 1.00 0.00 C ATOM 817 CE LYS A 53 11.410 3.161 10.631 1.00 0.00 C ATOM 818 NZ LYS A 53 12.290 3.974 9.762 1.00 0.00 N ATOM 0 H LYS A 53 10.046 -1.519 10.813 1.00 0.00 H new ATOM 0 HA LYS A 53 9.077 -0.683 8.398 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.943 -0.674 9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.306 0.283 8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.870 1.549 9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.044 0.401 10.791 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.052 1.286 11.484 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.619 1.554 9.848 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.368 3.319 10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.515 3.482 11.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.009 4.450 10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.759 3.357 9.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.721 4.687 9.262 1.00 0.00 H new ATOM 832 N GLU A 54 11.038 -3.273 8.043 1.00 0.00 N ATOM 833 CA GLU A 54 11.442 -4.312 7.111 1.00 0.00 C ATOM 834 C GLU A 54 10.216 -5.071 6.598 1.00 0.00 C ATOM 835 O GLU A 54 9.993 -5.154 5.391 1.00 0.00 O ATOM 836 CB GLU A 54 12.447 -5.268 7.756 1.00 0.00 C ATOM 837 CG GLU A 54 13.882 -4.889 7.383 1.00 0.00 C ATOM 838 CD GLU A 54 14.382 -5.729 6.206 1.00 0.00 C ATOM 839 OE1 GLU A 54 14.850 -6.857 6.473 1.00 0.00 O ATOM 840 OE2 GLU A 54 14.285 -5.225 5.067 1.00 0.00 O ATOM 0 H GLU A 54 11.369 -3.405 8.999 1.00 0.00 H new ATOM 0 HA GLU A 54 11.935 -3.838 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.331 -5.246 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.241 -6.289 7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.927 -3.831 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.536 -5.035 8.243 1.00 0.00 H new ATOM 847 N HIS A 55 9.453 -5.604 7.541 1.00 0.00 N ATOM 848 CA HIS A 55 8.255 -6.353 7.199 1.00 0.00 C ATOM 849 C HIS A 55 7.365 -5.508 6.286 1.00 0.00 C ATOM 850 O HIS A 55 7.203 -5.821 5.107 1.00 0.00 O ATOM 851 CB HIS A 55 7.531 -6.825 8.462 1.00 0.00 C ATOM 852 CG HIS A 55 6.518 -7.917 8.217 1.00 0.00 C ATOM 853 ND1 HIS A 55 5.156 -7.900 8.278 1.00 0.00 N flip ATOM 854 CD2 HIS A 55 6.877 -9.207 7.864 1.00 0.00 C flip ATOM 855 CE1 HIS A 55 4.707 -9.112 7.978 1.00 0.00 C flip ATOM 856 NE2 HIS A 55 5.772 -9.924 7.721 1.00 0.00 N flip ATOM 0 H HIS A 55 9.641 -5.532 8.541 1.00 0.00 H new ATOM 0 HA HIS A 55 8.529 -7.253 6.649 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.269 -7.183 9.179 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.028 -5.973 8.920 1.00 0.00 H new ATOM 0 HD2 HIS A 55 7.886 -9.567 7.728 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.669 -9.407 7.943 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.726 -10.910 7.464 1.00 0.00 H new ATOM 864 N TYR A 56 6.810 -4.453 6.865 1.00 0.00 N ATOM 865 CA TYR A 56 5.940 -3.561 6.118 1.00 0.00 C ATOM 866 C TYR A 56 6.458 -3.356 4.693 1.00 0.00 C ATOM 867 O TYR A 56 5.676 -3.122 3.772 1.00 0.00 O ATOM 868 CB TYR A 56 5.974 -2.222 6.857 1.00 0.00 C ATOM 869 CG TYR A 56 5.099 -2.181 8.112 1.00 0.00 C ATOM 870 CD1 TYR A 56 3.869 -2.805 8.115 1.00 0.00 C ATOM 871 CD2 TYR A 56 5.541 -1.519 9.239 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.045 -2.766 9.295 1.00 0.00 C ATOM 873 CE2 TYR A 56 4.717 -1.481 10.420 1.00 0.00 C ATOM 874 CZ TYR A 56 3.510 -2.106 10.390 1.00 0.00 C ATOM 875 OH TYR A 56 2.732 -2.070 11.505 1.00 0.00 O ATOM 0 H TYR A 56 6.946 -4.196 7.843 1.00 0.00 H new ATOM 0 HA TYR A 56 4.934 -3.975 6.049 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.004 -1.999 7.137 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.652 -1.435 6.176 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.524 -3.323 7.232 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.504 -1.030 9.236 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.080 -3.250 9.311 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.051 -0.967 11.310 1.00 0.00 H new ATOM 0 HH TYR A 56 3.192 -1.565 12.208 1.00 0.00 H new ATOM 885 N LYS A 57 7.772 -3.452 4.555 1.00 0.00 N ATOM 886 CA LYS A 57 8.403 -3.281 3.258 1.00 0.00 C ATOM 887 C LYS A 57 8.340 -4.601 2.486 1.00 0.00 C ATOM 888 O LYS A 57 7.944 -4.624 1.321 1.00 0.00 O ATOM 889 CB LYS A 57 9.822 -2.732 3.420 1.00 0.00 C ATOM 890 CG LYS A 57 10.487 -2.518 2.059 1.00 0.00 C ATOM 891 CD LYS A 57 11.893 -1.938 2.221 1.00 0.00 C ATOM 892 CE LYS A 57 11.837 -0.444 2.543 1.00 0.00 C ATOM 893 NZ LYS A 57 12.818 0.301 1.723 1.00 0.00 N ATOM 0 H LYS A 57 8.417 -3.646 5.321 1.00 0.00 H new ATOM 0 HA LYS A 57 7.864 -2.540 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.791 -1.789 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.418 -3.424 4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.540 -3.466 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.879 -1.844 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.418 -2.466 3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.463 -2.095 1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.833 -0.063 2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.045 -0.286 3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.766 1.314 1.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.776 -0.051 1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.602 0.165 0.715 1.00 0.00 H new ATOM 907 N LYS A 58 8.734 -5.667 3.166 1.00 0.00 N ATOM 908 CA LYS A 58 8.727 -6.987 2.559 1.00 0.00 C ATOM 909 C LYS A 58 7.304 -7.331 2.114 1.00 0.00 C ATOM 910 O LYS A 58 7.113 -8.008 1.105 1.00 0.00 O ATOM 911 CB LYS A 58 9.339 -8.017 3.510 1.00 0.00 C ATOM 912 CG LYS A 58 8.280 -8.591 4.453 1.00 0.00 C ATOM 913 CD LYS A 58 7.507 -9.728 3.783 1.00 0.00 C ATOM 914 CE LYS A 58 7.008 -10.738 4.818 1.00 0.00 C ATOM 915 NZ LYS A 58 6.419 -11.919 4.149 1.00 0.00 N ATOM 0 H LYS A 58 9.060 -5.644 4.132 1.00 0.00 H new ATOM 0 HA LYS A 58 9.353 -6.999 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.794 -8.823 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.135 -7.552 4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.758 -8.957 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.589 -7.803 4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.661 -9.320 3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.148 -10.231 3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.834 -11.050 5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.264 -10.269 5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.086 -12.594 4.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.618 -11.619 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.139 -12.375 3.553 1.00 0.00 H new ATOM 929 N LEU A 59 6.343 -6.848 2.887 1.00 0.00 N ATOM 930 CA LEU A 59 4.944 -7.096 2.585 1.00 0.00 C ATOM 931 C LEU A 59 4.571 -6.374 1.288 1.00 0.00 C ATOM 932 O LEU A 59 3.915 -6.949 0.420 1.00 0.00 O ATOM 933 CB LEU A 59 4.062 -6.714 3.776 1.00 0.00 C ATOM 934 CG LEU A 59 4.211 -7.584 5.026 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.542 -6.926 6.234 1.00 0.00 C ATOM 936 CD2 LEU A 59 3.682 -8.997 4.777 1.00 0.00 C ATOM 0 H LEU A 59 6.506 -6.286 3.722 1.00 0.00 H new ATOM 0 HA LEU A 59 4.773 -8.160 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.280 -5.681 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.020 -6.746 3.457 1.00 0.00 H new ATOM 0 HG LEU A 59 5.273 -7.674 5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.662 -7.565 7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.006 -5.958 6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.480 -6.786 6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.800 -9.594 5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.627 -8.948 4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.242 -9.457 3.963 1.00 0.00 H new ATOM 948 N ALA A 60 5.006 -5.126 1.197 1.00 0.00 N ATOM 949 CA ALA A 60 4.726 -4.320 0.021 1.00 0.00 C ATOM 950 C ALA A 60 5.072 -5.121 -1.235 1.00 0.00 C ATOM 951 O ALA A 60 4.432 -4.963 -2.273 1.00 0.00 O ATOM 952 CB ALA A 60 5.504 -3.005 0.106 1.00 0.00 C ATOM 0 H ALA A 60 5.550 -4.653 1.918 1.00 0.00 H new ATOM 0 HA ALA A 60 3.666 -4.070 -0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.294 -2.400 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.201 -2.460 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.572 -3.217 0.155 1.00 0.00 H new ATOM 958 N GLU A 61 6.085 -5.965 -1.100 1.00 0.00 N ATOM 959 CA GLU A 61 6.524 -6.792 -2.211 1.00 0.00 C ATOM 960 C GLU A 61 5.512 -7.908 -2.475 1.00 0.00 C ATOM 961 O GLU A 61 5.314 -8.314 -3.619 1.00 0.00 O ATOM 962 CB GLU A 61 7.918 -7.366 -1.950 1.00 0.00 C ATOM 963 CG GLU A 61 8.825 -6.325 -1.291 1.00 0.00 C ATOM 964 CD GLU A 61 8.527 -4.922 -1.823 1.00 0.00 C ATOM 965 OE1 GLU A 61 8.641 -4.746 -3.055 1.00 0.00 O ATOM 966 OE2 GLU A 61 8.191 -4.057 -0.985 1.00 0.00 O ATOM 0 H GLU A 61 6.614 -6.094 -0.238 1.00 0.00 H new ATOM 0 HA GLU A 61 6.586 -6.167 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.840 -8.244 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.361 -7.697 -2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.683 -6.346 -0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.869 -6.575 -1.480 1.00 0.00 H new ATOM 973 N GLU A 62 4.897 -8.373 -1.397 1.00 0.00 N ATOM 974 CA GLU A 62 3.910 -9.434 -1.497 1.00 0.00 C ATOM 975 C GLU A 62 2.582 -8.877 -2.013 1.00 0.00 C ATOM 976 O GLU A 62 1.949 -9.475 -2.881 1.00 0.00 O ATOM 977 CB GLU A 62 3.724 -10.139 -0.152 1.00 0.00 C ATOM 978 CG GLU A 62 2.398 -10.902 -0.112 1.00 0.00 C ATOM 979 CD GLU A 62 2.574 -12.272 0.545 1.00 0.00 C ATOM 980 OE1 GLU A 62 3.594 -12.924 0.233 1.00 0.00 O ATOM 981 OE2 GLU A 62 1.685 -12.637 1.344 1.00 0.00 O ATOM 0 H GLU A 62 5.064 -8.034 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 62 4.272 -10.174 -2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.550 -10.829 0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.750 -9.406 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.657 -10.323 0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.015 -11.027 -1.125 1.00 0.00 H new ATOM 988 N GLN A 63 2.199 -7.737 -1.457 1.00 0.00 N ATOM 989 CA GLN A 63 0.958 -7.092 -1.849 1.00 0.00 C ATOM 990 C GLN A 63 0.896 -6.942 -3.371 1.00 0.00 C ATOM 991 O GLN A 63 -0.154 -7.151 -3.977 1.00 0.00 O ATOM 992 CB GLN A 63 0.801 -5.736 -1.158 1.00 0.00 C ATOM 993 CG GLN A 63 -0.369 -5.755 -0.173 1.00 0.00 C ATOM 994 CD GLN A 63 -1.704 -5.889 -0.909 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.010 -6.904 -1.512 1.00 0.00 O ATOM 996 NE2 GLN A 63 -2.477 -4.810 -0.827 1.00 0.00 N ATOM 0 H GLN A 63 2.727 -7.243 -0.737 1.00 0.00 H new ATOM 0 HA GLN A 63 0.128 -7.723 -1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.721 -5.484 -0.631 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.639 -4.959 -1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.249 -6.585 0.524 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.366 -4.839 0.418 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.159 -3.993 -0.305 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.388 -4.799 -1.286 1.00 0.00 H new ATOM 1005 N GLN A 64 2.034 -6.582 -3.945 1.00 0.00 N ATOM 1006 CA GLN A 64 2.123 -6.401 -5.384 1.00 0.00 C ATOM 1007 C GLN A 64 2.166 -7.760 -6.087 1.00 0.00 C ATOM 1008 O GLN A 64 1.857 -7.858 -7.274 1.00 0.00 O ATOM 1009 CB GLN A 64 3.339 -5.552 -5.756 1.00 0.00 C ATOM 1010 CG GLN A 64 3.292 -4.191 -5.059 1.00 0.00 C ATOM 1011 CD GLN A 64 4.617 -3.444 -5.224 1.00 0.00 C ATOM 1012 OE1 GLN A 64 5.289 -3.536 -6.238 1.00 0.00 O ATOM 1013 NE2 GLN A 64 4.954 -2.701 -4.173 1.00 0.00 N ATOM 0 H GLN A 64 2.903 -6.411 -3.439 1.00 0.00 H new ATOM 0 HA GLN A 64 1.234 -5.868 -5.720 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.253 -6.077 -5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.371 -5.410 -6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.480 -3.594 -5.474 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.078 -4.328 -3.999 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.345 -2.669 -3.355 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.821 -2.164 -4.185 1.00 0.00 H new ATOM 1022 N ARG A 65 2.552 -8.773 -5.325 1.00 0.00 N ATOM 1023 CA ARG A 65 2.640 -10.121 -5.861 1.00 0.00 C ATOM 1024 C ARG A 65 1.246 -10.743 -5.964 1.00 0.00 C ATOM 1025 O ARG A 65 0.944 -11.443 -6.929 1.00 0.00 O ATOM 1026 CB ARG A 65 3.522 -11.007 -4.979 1.00 0.00 C ATOM 1027 CG ARG A 65 3.065 -12.466 -5.037 1.00 0.00 C ATOM 1028 CD ARG A 65 4.038 -13.375 -4.285 1.00 0.00 C ATOM 1029 NE ARG A 65 3.959 -14.754 -4.818 1.00 0.00 N ATOM 1030 CZ ARG A 65 4.317 -15.099 -6.062 1.00 0.00 C ATOM 1031 NH1 ARG A 65 4.782 -14.170 -6.908 1.00 0.00 N ATOM 1032 NH2 ARG A 65 4.211 -16.374 -6.460 1.00 0.00 N ATOM 0 H ARG A 65 2.807 -8.687 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 65 3.087 -10.055 -6.853 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.559 -10.934 -5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.486 -10.652 -3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.069 -12.556 -4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.991 -12.787 -6.076 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.055 -12.995 -4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.801 -13.374 -3.221 1.00 0.00 H new ATOM 0 HE ARG A 65 3.610 -15.487 -4.200 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.864 -13.199 -6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.054 -14.433 -7.855 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.858 -17.082 -5.816 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.483 -16.637 -7.407 1.00 0.00 H new ATOM 1046 N GLN A 66 0.432 -10.464 -4.956 1.00 0.00 N ATOM 1047 CA GLN A 66 -0.923 -10.987 -4.921 1.00 0.00 C ATOM 1048 C GLN A 66 -1.820 -10.204 -5.882 1.00 0.00 C ATOM 1049 O GLN A 66 -2.598 -10.793 -6.631 1.00 0.00 O ATOM 1050 CB GLN A 66 -1.486 -10.958 -3.499 1.00 0.00 C ATOM 1051 CG GLN A 66 -0.737 -11.937 -2.593 1.00 0.00 C ATOM 1052 CD GLN A 66 -0.841 -13.367 -3.126 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -1.741 -13.715 -3.873 1.00 0.00 O ATOM 1054 NE2 GLN A 66 0.127 -14.174 -2.702 1.00 0.00 N ATOM 0 H GLN A 66 0.685 -9.882 -4.157 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.898 -12.027 -5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.408 -9.949 -3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.546 -11.213 -3.518 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.311 -11.646 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.147 -11.891 -1.584 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.850 -13.818 -2.077 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.146 -15.149 -3.002 1.00 0.00 H new ATOM 1063 N TYR A 67 -1.680 -8.887 -5.830 1.00 0.00 N ATOM 1064 CA TYR A 67 -2.468 -8.017 -6.687 1.00 0.00 C ATOM 1065 C TYR A 67 -2.412 -8.484 -8.143 1.00 0.00 C ATOM 1066 O TYR A 67 -3.321 -8.206 -8.923 1.00 0.00 O ATOM 1067 CB TYR A 67 -1.828 -6.631 -6.583 1.00 0.00 C ATOM 1068 CG TYR A 67 -2.329 -5.634 -7.629 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -1.998 -5.803 -8.958 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -3.113 -4.566 -7.244 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -2.470 -4.864 -9.943 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -3.585 -3.627 -8.229 1.00 0.00 C ATOM 1073 CZ TYR A 67 -3.240 -3.823 -9.530 1.00 0.00 C ATOM 1074 OH TYR A 67 -3.686 -2.936 -10.460 1.00 0.00 O ATOM 0 H TYR A 67 -1.033 -8.402 -5.208 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.514 -8.019 -6.379 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.021 -6.227 -5.589 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.747 -6.733 -6.682 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.385 -6.639 -9.260 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.373 -4.434 -6.204 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.218 -4.984 -10.986 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.199 -2.786 -7.941 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.225 -2.245 -10.021 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.335 -9.185 -8.465 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.149 -9.693 -9.813 1.00 0.00 C ATOM 1086 C LYS A 68 -2.199 -10.769 -10.098 1.00 0.00 C ATOM 1087 O LYS A 68 -2.896 -10.708 -11.110 1.00 0.00 O ATOM 1088 CB LYS A 68 0.291 -10.172 -10.011 1.00 0.00 C ATOM 1089 CG LYS A 68 1.253 -8.987 -10.116 1.00 0.00 C ATOM 1090 CD LYS A 68 1.686 -8.759 -11.565 1.00 0.00 C ATOM 1091 CE LYS A 68 0.927 -7.584 -12.186 1.00 0.00 C ATOM 1092 NZ LYS A 68 1.856 -6.479 -12.510 1.00 0.00 N ATOM 0 H LYS A 68 -0.582 -9.413 -7.815 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.300 -8.898 -10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.584 -10.810 -9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.355 -10.779 -10.914 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.772 -8.088 -9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.130 -9.170 -9.495 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.758 -8.564 -11.602 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.506 -9.662 -12.148 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.414 -7.912 -13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.161 -7.232 -11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.324 -5.690 -12.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.327 -6.155 -11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.571 -6.814 -13.187 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.279 -11.728 -9.188 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.233 -12.815 -9.329 1.00 0.00 C ATOM 1108 C VAL A 69 -4.651 -12.272 -9.143 1.00 0.00 C ATOM 1109 O VAL A 69 -5.568 -12.662 -9.863 1.00 0.00 O ATOM 1110 CB VAL A 69 -2.891 -13.941 -8.350 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -1.379 -14.046 -8.141 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -3.617 -13.748 -7.017 1.00 0.00 C ATOM 0 H VAL A 69 -1.699 -11.775 -8.350 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.178 -13.243 -10.330 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.235 -14.879 -8.786 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.164 -14.854 -7.441 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.893 -14.253 -9.095 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.001 -13.106 -7.738 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.357 -14.561 -6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.319 -12.798 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.694 -13.747 -7.186 1.00 0.00 H new ATOM 1122 N HIS A 70 -4.786 -11.379 -8.173 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.077 -10.778 -7.883 1.00 0.00 C ATOM 1124 C HIS A 70 -6.699 -10.251 -9.178 1.00 0.00 C ATOM 1125 O HIS A 70 -7.908 -10.358 -9.378 1.00 0.00 O ATOM 1126 CB HIS A 70 -5.944 -9.699 -6.807 1.00 0.00 C ATOM 1127 CG HIS A 70 -5.561 -10.232 -5.447 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -5.594 -9.457 -4.301 1.00 0.00 N ATOM 1129 CD2 HIS A 70 -5.138 -11.470 -5.062 1.00 0.00 C ATOM 1130 CE1 HIS A 70 -5.206 -10.205 -3.278 1.00 0.00 C ATOM 1131 NE2 HIS A 70 -4.923 -11.452 -3.752 1.00 0.00 N ATOM 0 H HIS A 70 -4.023 -11.057 -7.578 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.751 -11.532 -7.477 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.196 -8.973 -7.125 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.891 -9.165 -6.723 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.001 -12.321 -5.713 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.128 -9.884 -2.250 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.599 -12.241 -3.192 1.00 0.00 H new ATOM 1139 N LEU A 71 -5.845 -9.692 -10.023 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.296 -9.148 -11.292 1.00 0.00 C ATOM 1141 C LEU A 71 -6.845 -10.281 -12.162 1.00 0.00 C ATOM 1142 O LEU A 71 -7.809 -10.089 -12.901 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.176 -8.348 -11.960 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.620 -7.175 -12.837 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -6.443 -6.169 -12.031 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -4.420 -6.517 -13.521 1.00 0.00 C ATOM 0 H LEU A 71 -4.843 -9.604 -9.853 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.112 -8.442 -11.135 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.516 -7.964 -11.182 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.585 -9.030 -12.572 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.267 -7.563 -13.624 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.746 -5.346 -12.678 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.329 -6.661 -11.631 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.841 -5.782 -11.209 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.763 -5.687 -14.138 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.729 -6.146 -12.765 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.912 -7.249 -14.148 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.208 -11.436 -12.044 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.620 -12.600 -12.810 1.00 0.00 C ATOM 1160 C ASP A 72 -7.867 -13.212 -12.168 1.00 0.00 C ATOM 1161 O ASP A 72 -8.744 -13.719 -12.866 1.00 0.00 O ATOM 1162 CB ASP A 72 -5.524 -13.667 -12.825 1.00 0.00 C ATOM 1163 CG ASP A 72 -4.833 -13.865 -14.175 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -5.513 -13.639 -15.199 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -3.640 -14.237 -14.152 1.00 0.00 O ATOM 0 H ASP A 72 -5.409 -11.591 -11.429 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.822 -12.277 -13.831 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.770 -13.403 -12.083 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.958 -14.617 -12.513 1.00 0.00 H new ATOM 1170 N LEU A 73 -7.906 -13.144 -10.845 1.00 0.00 N ATOM 1171 CA LEU A 73 -9.031 -13.685 -10.101 1.00 0.00 C ATOM 1172 C LEU A 73 -10.292 -12.889 -10.441 1.00 0.00 C ATOM 1173 O LEU A 73 -11.389 -13.444 -10.481 1.00 0.00 O ATOM 1174 CB LEU A 73 -8.714 -13.726 -8.605 1.00 0.00 C ATOM 1175 CG LEU A 73 -7.428 -14.456 -8.211 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -7.497 -14.945 -6.763 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -7.123 -15.594 -9.187 1.00 0.00 C ATOM 0 H LEU A 73 -7.177 -12.723 -10.269 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.218 -14.719 -10.392 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.653 -12.701 -8.239 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.550 -14.200 -8.090 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.601 -13.749 -8.273 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.571 -15.460 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.633 -14.093 -6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.337 -15.631 -6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.204 -16.096 -8.884 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.946 -16.309 -9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.001 -15.189 -10.192 1.00 0.00 H new ATOM 1189 N TRP A 74 -10.094 -11.600 -10.678 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.202 -10.722 -11.013 1.00 0.00 C ATOM 1191 C TRP A 74 -11.695 -11.096 -12.412 1.00 0.00 C ATOM 1192 O TRP A 74 -12.870 -10.915 -12.729 1.00 0.00 O ATOM 1193 CB TRP A 74 -10.791 -9.253 -10.897 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.661 -8.297 -11.717 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -12.801 -7.697 -11.348 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.412 -7.853 -13.067 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.303 -6.902 -12.358 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -12.432 -7.000 -13.436 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -10.360 -8.161 -13.948 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.501 -6.385 -14.692 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -10.444 -7.539 -15.199 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -11.464 -6.678 -15.586 1.00 0.00 C ATOM 0 H TRP A 74 -9.183 -11.143 -10.645 1.00 0.00 H new ATOM 0 HA TRP A 74 -12.024 -10.851 -10.308 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -10.832 -8.957 -9.849 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.754 -9.150 -11.217 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.268 -7.820 -10.382 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -14.157 -6.345 -12.320 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.551 -8.825 -13.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -13.310 -5.721 -14.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.661 -7.743 -15.914 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.457 -6.237 -16.572 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.774 -11.612 -13.212 1.00 0.00 N ATOM 1214 CA VAL A 75 -11.100 -12.013 -14.569 1.00 0.00 C ATOM 1215 C VAL A 75 -11.941 -13.291 -14.530 1.00 0.00 C ATOM 1216 O VAL A 75 -12.898 -13.432 -15.289 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.820 -12.165 -15.393 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -10.077 -12.982 -16.661 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -9.221 -10.799 -15.732 1.00 0.00 C ATOM 0 H VAL A 75 -9.801 -11.762 -12.946 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.697 -11.245 -15.061 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.094 -12.708 -14.787 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.151 -13.075 -17.228 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.436 -13.974 -16.388 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.827 -12.480 -17.272 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.312 -10.936 -16.318 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.941 -10.219 -16.309 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.982 -10.268 -14.811 1.00 0.00 H new ATOM 1229 N LYS A 76 -11.552 -14.190 -13.638 1.00 0.00 N ATOM 1230 CA LYS A 76 -12.258 -15.452 -13.490 1.00 0.00 C ATOM 1231 C LYS A 76 -13.730 -15.174 -13.181 1.00 0.00 C ATOM 1232 O LYS A 76 -14.585 -16.033 -13.391 1.00 0.00 O ATOM 1233 CB LYS A 76 -11.566 -16.334 -12.450 1.00 0.00 C ATOM 1234 CG LYS A 76 -10.125 -16.642 -12.862 1.00 0.00 C ATOM 1235 CD LYS A 76 -9.362 -17.320 -11.723 1.00 0.00 C ATOM 1236 CE LYS A 76 -10.017 -18.648 -11.339 1.00 0.00 C ATOM 1237 NZ LYS A 76 -9.048 -19.760 -11.462 1.00 0.00 N ATOM 0 H LYS A 76 -10.757 -14.070 -13.010 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.229 -16.017 -14.422 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.572 -15.833 -11.482 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.121 -17.265 -12.331 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.124 -17.288 -13.740 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.619 -15.719 -13.145 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.329 -17.494 -12.025 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.334 -16.660 -10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.389 -18.594 -10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.877 -18.835 -11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.510 -20.654 -11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.713 -19.821 -12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.240 -19.588 -10.830 1.00 0.00 H new ATOM 1251 N SER A 77 -13.981 -13.971 -12.685 1.00 0.00 N ATOM 1252 CA SER A 77 -15.335 -13.570 -12.343 1.00 0.00 C ATOM 1253 C SER A 77 -15.987 -12.863 -13.533 1.00 0.00 C ATOM 1254 O SER A 77 -17.206 -12.901 -13.691 1.00 0.00 O ATOM 1255 CB SER A 77 -15.346 -12.659 -11.114 1.00 0.00 C ATOM 1256 OG SER A 77 -16.434 -12.953 -10.242 1.00 0.00 O ATOM 0 H SER A 77 -13.269 -13.261 -12.512 1.00 0.00 H new ATOM 0 HA SER A 77 -15.907 -14.466 -12.102 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.407 -12.770 -10.572 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.409 -11.619 -11.434 1.00 0.00 H new ATOM 0 HG SER A 77 -16.405 -12.352 -9.469 1.00 0.00 H new ATOM 1262 N LEU A 78 -15.145 -12.234 -14.341 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.624 -11.520 -15.512 1.00 0.00 C ATOM 1264 C LEU A 78 -16.514 -12.448 -16.342 1.00 0.00 C ATOM 1265 O LEU A 78 -16.093 -13.539 -16.724 1.00 0.00 O ATOM 1266 CB LEU A 78 -14.451 -10.929 -16.297 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.802 -9.682 -15.694 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.789 -9.069 -16.663 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.862 -8.669 -15.257 1.00 0.00 C ATOM 0 H LEU A 78 -14.134 -12.204 -14.207 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.239 -10.670 -15.214 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.686 -11.698 -16.402 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.798 -10.685 -17.301 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.254 -9.980 -14.800 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.342 -8.184 -16.210 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.009 -9.798 -16.883 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.294 -8.788 -17.587 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.374 -7.792 -14.832 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.457 -8.370 -16.120 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.511 -9.122 -14.508 1.00 0.00 H new ATOM 1281 N SER A 79 -17.727 -11.981 -16.596 1.00 0.00 N ATOM 1282 CA SER A 79 -18.680 -12.755 -17.373 1.00 0.00 C ATOM 1283 C SER A 79 -18.056 -13.163 -18.710 1.00 0.00 C ATOM 1284 O SER A 79 -16.915 -12.806 -19.001 1.00 0.00 O ATOM 1285 CB SER A 79 -19.969 -11.967 -17.608 1.00 0.00 C ATOM 1286 OG SER A 79 -21.120 -12.680 -17.164 1.00 0.00 O ATOM 0 H SER A 79 -18.072 -11.076 -16.277 1.00 0.00 H new ATOM 0 HA SER A 79 -18.933 -13.652 -16.808 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.910 -11.012 -17.086 1.00 0.00 H new ATOM 0 HB3 SER A 79 -20.069 -11.744 -18.670 1.00 0.00 H new ATOM 0 HG SER A 79 -21.922 -12.142 -17.330 1.00 0.00 H new ATOM 1292 N PRO A 80 -18.852 -13.924 -19.507 1.00 0.00 N ATOM 1293 CA PRO A 80 -18.390 -14.384 -20.806 1.00 0.00 C ATOM 1294 C PRO A 80 -18.399 -13.243 -21.826 1.00 0.00 C ATOM 1295 O PRO A 80 -17.805 -13.359 -22.897 1.00 0.00 O ATOM 1296 CB PRO A 80 -19.328 -15.521 -21.177 1.00 0.00 C ATOM 1297 CG PRO A 80 -20.556 -15.352 -20.298 1.00 0.00 C ATOM 1298 CD PRO A 80 -20.208 -14.366 -19.195 1.00 0.00 C ATOM 0 HA PRO A 80 -17.356 -14.729 -20.788 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -19.595 -15.478 -22.233 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.856 -16.488 -21.006 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -21.398 -14.986 -20.885 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -20.856 -16.310 -19.873 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.904 -13.527 -19.179 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -20.255 -14.837 -18.213 1.00 0.00 H new ATOM 1306 N GLN A 81 -19.080 -12.168 -21.458 1.00 0.00 N ATOM 1307 CA GLN A 81 -19.174 -11.008 -22.328 1.00 0.00 C ATOM 1308 C GLN A 81 -18.073 -10.000 -21.990 1.00 0.00 C ATOM 1309 O GLN A 81 -17.464 -9.417 -22.886 1.00 0.00 O ATOM 1310 CB GLN A 81 -20.557 -10.361 -22.232 1.00 0.00 C ATOM 1311 CG GLN A 81 -21.648 -11.329 -22.694 1.00 0.00 C ATOM 1312 CD GLN A 81 -23.024 -10.882 -22.198 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -23.162 -10.226 -21.178 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -24.032 -11.273 -22.972 1.00 0.00 N ATOM 0 H GLN A 81 -19.572 -12.076 -20.569 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.034 -11.338 -23.357 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.749 -10.055 -21.204 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -20.584 -9.459 -22.843 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -21.651 -11.386 -23.782 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -21.431 -12.331 -22.323 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -23.847 -11.820 -23.813 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -24.990 -11.025 -22.725 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.851 -9.826 -20.696 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.835 -8.899 -20.229 1.00 0.00 C ATOM 1325 C ASP A 82 -15.450 -9.464 -20.550 1.00 0.00 C ATOM 1326 O ASP A 82 -14.646 -8.808 -21.210 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.925 -8.700 -18.714 1.00 0.00 C ATOM 1328 CG ASP A 82 -18.106 -7.850 -18.243 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -18.014 -6.613 -18.398 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -19.076 -8.457 -17.738 1.00 0.00 O ATOM 0 H ASP A 82 -18.358 -10.312 -19.956 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.995 -7.943 -20.728 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.988 -9.678 -18.237 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.002 -8.235 -18.368 1.00 0.00 H new ATOM 1335 N ARG A 83 -15.213 -10.675 -20.067 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.939 -11.335 -20.295 1.00 0.00 C ATOM 1337 C ARG A 83 -13.602 -11.338 -21.787 1.00 0.00 C ATOM 1338 O ARG A 83 -12.441 -11.187 -22.165 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.967 -12.777 -19.782 1.00 0.00 C ATOM 1340 CG ARG A 83 -12.571 -13.232 -19.350 1.00 0.00 C ATOM 1341 CD ARG A 83 -12.657 -14.358 -18.318 1.00 0.00 C ATOM 1342 NE ARG A 83 -11.845 -15.513 -18.761 1.00 0.00 N ATOM 1343 CZ ARG A 83 -12.224 -16.379 -19.711 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -13.406 -16.225 -20.324 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -11.422 -17.398 -20.048 1.00 0.00 N ATOM 0 H ARG A 83 -15.882 -11.216 -19.519 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.176 -10.781 -19.748 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.655 -12.854 -18.940 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.343 -13.438 -20.563 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.010 -13.573 -20.220 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.024 -12.389 -18.929 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.302 -14.003 -17.350 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.695 -14.662 -18.185 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.939 -15.659 -18.315 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.016 -15.449 -20.067 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.695 -16.884 -21.047 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.523 -17.515 -19.581 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.711 -18.057 -20.771 1.00 0.00 H new ATOM 1359 N ALA A 84 -14.637 -11.512 -22.595 1.00 0.00 N ATOM 1360 CA ALA A 84 -14.465 -11.537 -24.038 1.00 0.00 C ATOM 1361 C ALA A 84 -13.787 -10.241 -24.488 1.00 0.00 C ATOM 1362 O ALA A 84 -13.029 -10.238 -25.457 1.00 0.00 O ATOM 1363 CB ALA A 84 -15.823 -11.748 -24.710 1.00 0.00 C ATOM 0 H ALA A 84 -15.598 -11.637 -22.278 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.822 -12.366 -24.334 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -15.694 -11.767 -25.792 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -16.250 -12.695 -24.379 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.494 -10.933 -24.438 1.00 0.00 H new ATOM 1369 N ALA A 85 -14.082 -9.173 -23.763 1.00 0.00 N ATOM 1370 CA ALA A 85 -13.510 -7.874 -24.076 1.00 0.00 C ATOM 1371 C ALA A 85 -12.111 -7.778 -23.466 1.00 0.00 C ATOM 1372 O ALA A 85 -11.122 -7.651 -24.187 1.00 0.00 O ATOM 1373 CB ALA A 85 -14.443 -6.771 -23.573 1.00 0.00 C ATOM 0 H ALA A 85 -14.710 -9.180 -22.959 1.00 0.00 H new ATOM 0 HA ALA A 85 -13.409 -7.748 -25.154 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.014 -5.797 -23.808 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.414 -6.866 -24.059 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.566 -6.863 -22.494 1.00 0.00 H new ATOM 1379 N TYR A 86 -12.071 -7.842 -22.143 1.00 0.00 N ATOM 1380 CA TYR A 86 -10.808 -7.764 -21.428 1.00 0.00 C ATOM 1381 C TYR A 86 -9.707 -8.518 -22.175 1.00 0.00 C ATOM 1382 O TYR A 86 -8.600 -8.006 -22.338 1.00 0.00 O ATOM 1383 CB TYR A 86 -11.047 -8.441 -20.077 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.763 -8.807 -19.329 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -9.057 -9.939 -19.682 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -9.311 -8.004 -18.301 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -7.849 -10.282 -18.978 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -8.103 -8.348 -17.597 1.00 0.00 C ATOM 1389 CZ TYR A 86 -7.431 -9.470 -17.970 1.00 0.00 C ATOM 1390 OH TYR A 86 -6.290 -9.795 -17.306 1.00 0.00 O ATOM 0 H TYR A 86 -12.893 -7.947 -21.548 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.488 -6.727 -21.326 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.644 -7.778 -19.451 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.634 -9.346 -20.234 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -9.411 -10.567 -20.486 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.863 -7.118 -18.025 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.287 -11.165 -19.244 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.739 -7.729 -16.791 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.113 -9.125 -16.613 1.00 0.00 H new ATOM 1400 N LYS A 87 -10.049 -9.722 -22.611 1.00 0.00 N ATOM 1401 CA LYS A 87 -9.102 -10.551 -23.337 1.00 0.00 C ATOM 1402 C LYS A 87 -8.650 -9.815 -24.600 1.00 0.00 C ATOM 1403 O LYS A 87 -7.456 -9.749 -24.890 1.00 0.00 O ATOM 1404 CB LYS A 87 -9.701 -11.932 -23.612 1.00 0.00 C ATOM 1405 CG LYS A 87 -9.031 -13.002 -22.748 1.00 0.00 C ATOM 1406 CD LYS A 87 -8.335 -14.052 -23.617 1.00 0.00 C ATOM 1407 CE LYS A 87 -8.996 -15.422 -23.457 1.00 0.00 C ATOM 1408 NZ LYS A 87 -8.016 -16.416 -22.963 1.00 0.00 N ATOM 0 H LYS A 87 -10.968 -10.143 -22.475 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.211 -10.729 -22.735 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.772 -11.915 -23.410 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.579 -12.182 -24.666 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.304 -12.535 -22.083 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.777 -13.484 -22.116 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.372 -13.746 -24.663 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.283 -14.118 -23.341 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.832 -15.350 -22.761 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.404 -15.749 -24.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.481 -17.340 -22.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.232 -16.497 -23.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.646 -16.110 -22.040 1.00 0.00 H new ATOM 1422 N GLU A 88 -9.627 -9.279 -25.316 1.00 0.00 N ATOM 1423 CA GLU A 88 -9.344 -8.549 -26.540 1.00 0.00 C ATOM 1424 C GLU A 88 -8.103 -7.672 -26.361 1.00 0.00 C ATOM 1425 O GLU A 88 -7.288 -7.549 -27.274 1.00 0.00 O ATOM 1426 CB GLU A 88 -10.550 -7.712 -26.971 1.00 0.00 C ATOM 1427 CG GLU A 88 -10.392 -6.256 -26.530 1.00 0.00 C ATOM 1428 CD GLU A 88 -11.698 -5.481 -26.723 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -12.555 -5.580 -25.818 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -11.808 -4.807 -27.769 1.00 0.00 O ATOM 0 H GLU A 88 -10.616 -9.336 -25.072 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.143 -9.271 -27.332 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.660 -7.758 -28.054 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.460 -8.130 -26.540 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.095 -6.220 -25.482 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.595 -5.783 -27.104 1.00 0.00 H new ATOM 1437 N TYR A 89 -8.000 -7.083 -25.178 1.00 0.00 N ATOM 1438 CA TYR A 89 -6.873 -6.220 -24.867 1.00 0.00 C ATOM 1439 C TYR A 89 -5.631 -7.044 -24.523 1.00 0.00 C ATOM 1440 O TYR A 89 -4.514 -6.668 -24.877 1.00 0.00 O ATOM 1441 CB TYR A 89 -7.289 -5.410 -23.639 1.00 0.00 C ATOM 1442 CG TYR A 89 -6.113 -4.892 -22.807 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -5.397 -3.793 -23.235 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -5.770 -5.524 -21.630 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -4.290 -3.306 -22.453 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -4.663 -5.037 -20.848 1.00 0.00 C ATOM 1447 CZ TYR A 89 -3.978 -3.952 -21.298 1.00 0.00 C ATOM 1448 OH TYR A 89 -2.933 -3.492 -20.559 1.00 0.00 O ATOM 0 H TYR A 89 -8.679 -7.187 -24.424 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.626 -5.588 -25.720 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.893 -4.562 -23.963 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.924 -6.030 -23.006 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.667 -3.298 -24.156 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.331 -6.384 -21.295 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.721 -2.447 -22.777 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.383 -5.523 -19.925 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.827 -4.050 -19.760 1.00 0.00 H new ATOM 1458 N ILE A 90 -5.866 -8.153 -23.838 1.00 0.00 N ATOM 1459 CA ILE A 90 -4.780 -9.034 -23.442 1.00 0.00 C ATOM 1460 C ILE A 90 -3.979 -9.437 -24.682 1.00 0.00 C ATOM 1461 O ILE A 90 -2.808 -9.081 -24.812 1.00 0.00 O ATOM 1462 CB ILE A 90 -5.318 -10.223 -22.644 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -6.083 -9.752 -21.406 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -4.194 -11.197 -22.287 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -5.120 -9.367 -20.280 1.00 0.00 C ATOM 0 H ILE A 90 -6.793 -8.462 -23.547 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.093 -8.516 -22.773 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.025 -10.764 -23.273 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.708 -8.897 -21.664 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.751 -10.543 -21.064 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.603 -12.033 -21.720 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.732 -11.570 -23.201 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -3.445 -10.683 -21.685 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.689 -9.036 -19.412 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.514 -10.231 -20.008 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.470 -8.560 -20.617 1.00 0.00 H new