USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 588 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 35 SER OG : rot -116:sc= 0.301 USER MOD Set 1.2: A 38 GLN : amide:sc= 0.0287 X(o=0.33,f=0.27) USER MOD Set 2.1: A 32 SER OG : rot 141:sc= 0.775 USER MOD Set 2.2: A 69 THR OG1 : rot -12:sc= 0.268 USER MOD Single : A 3 GLN : amide:sc= -0.441 K(o=-0.44,f=-3.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -128:sc= -0.033 (180deg=-0.321) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 32:sc= 0.24 USER MOD Single : A 12 ASN : amide:sc= -0.0887 K(o=-0.089,f=-2.2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= -0.308 (180deg=-1.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -2.75! C(o=-2.8!,f=-4.4!) USER MOD Single : A 22 LYS NZ :NH3+ 167:sc= -0.263 (180deg=-0.556) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -2.24 (180deg=-2.88) USER MOD Single : A 33 ASN : amide:sc= -0.82 K(o=-0.82,f=-0.24) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -153:sc= -0.282 (180deg=-1.09) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 49 TYR OH : rot 3:sc= -3.22! USER MOD Single : A 50 SER OG : rot 180:sc= -0.168 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 58 LYS NZ :NH3+ -117:sc= 0.575 (180deg=-1.71!) USER MOD Single : A 59 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0324) USER MOD Single : A 60 GLN : amide:sc= -0.405 K(o=-0.41,f=-2.9!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot -151:sc= 1.09 USER MOD Single : A 66 LYS NZ :NH3+ 149:sc= 0.408 (180deg=0.0997) USER MOD Single : A 68 GLN : amide:sc= -0.698 K(o=-0.7,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 3 9.468 -20.261 2.920 1.00 0.00 N ATOM 2 CA GLN A 3 8.848 -18.969 3.330 1.00 0.00 C ATOM 3 C GLN A 3 8.330 -18.218 2.101 1.00 0.00 C ATOM 4 O GLN A 3 8.946 -18.241 1.053 1.00 0.00 O ATOM 5 CB GLN A 3 9.975 -18.185 4.002 1.00 0.00 C ATOM 6 CG GLN A 3 11.226 -18.234 3.122 1.00 0.00 C ATOM 7 CD GLN A 3 12.288 -19.107 3.793 1.00 0.00 C ATOM 8 OE1 GLN A 3 12.178 -19.429 4.959 1.00 0.00 O ATOM 9 NE2 GLN A 3 13.319 -19.505 3.100 1.00 0.00 N ATOM 0 HA GLN A 3 7.997 -19.112 3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.669 -17.151 4.160 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.191 -18.607 4.983 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.977 -18.636 2.140 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.613 -17.227 2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 3 13.411 -19.234 2.121 1.00 0.00 H new ATOM 0 HE22 GLN A 3 14.033 -20.087 3.537 1.00 0.00 H new ATOM 20 N PRO A 4 7.207 -17.574 2.272 1.00 0.00 N ATOM 21 CA PRO A 4 6.592 -16.806 1.163 1.00 0.00 C ATOM 22 C PRO A 4 7.379 -15.516 0.907 1.00 0.00 C ATOM 23 O PRO A 4 7.187 -14.850 -0.091 1.00 0.00 O ATOM 24 CB PRO A 4 5.190 -16.494 1.677 1.00 0.00 C ATOM 25 CG PRO A 4 5.305 -16.535 3.169 1.00 0.00 C ATOM 26 CD PRO A 4 6.411 -17.503 3.503 1.00 0.00 C ATOM 0 HA PRO A 4 6.582 -17.350 0.218 1.00 0.00 H new ATOM 0 HB2 PRO A 4 4.853 -15.516 1.334 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.466 -17.225 1.317 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.528 -15.544 3.565 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.365 -16.854 3.619 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.008 -17.151 4.344 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.016 -18.480 3.779 1.00 0.00 H new ATOM 34 N ALA A 5 8.263 -15.158 1.799 1.00 0.00 N ATOM 35 CA ALA A 5 9.057 -13.911 1.601 1.00 0.00 C ATOM 36 C ALA A 5 9.829 -13.983 0.283 1.00 0.00 C ATOM 37 O ALA A 5 9.954 -13.007 -0.430 1.00 0.00 O ATOM 38 CB ALA A 5 10.021 -13.862 2.788 1.00 0.00 C ATOM 0 H ALA A 5 8.469 -15.674 2.654 1.00 0.00 H new ATOM 0 HA ALA A 5 8.428 -13.022 1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.643 -12.970 2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.452 -13.833 3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 5 10.656 -14.748 2.778 1.00 0.00 H new ATOM 44 N LYS A 6 10.340 -15.134 -0.049 1.00 0.00 N ATOM 45 CA LYS A 6 11.100 -15.280 -1.323 1.00 0.00 C ATOM 46 C LYS A 6 12.015 -14.065 -1.545 1.00 0.00 C ATOM 47 O LYS A 6 13.085 -13.978 -0.976 1.00 0.00 O ATOM 48 CB LYS A 6 10.026 -15.370 -2.409 1.00 0.00 C ATOM 49 CG LYS A 6 9.108 -16.559 -2.116 1.00 0.00 C ATOM 50 CD LYS A 6 9.359 -17.665 -3.142 1.00 0.00 C ATOM 51 CE LYS A 6 10.179 -18.784 -2.496 1.00 0.00 C ATOM 52 NZ LYS A 6 9.208 -19.889 -2.265 1.00 0.00 N ATOM 0 H LYS A 6 10.264 -15.985 0.509 1.00 0.00 H new ATOM 0 HA LYS A 6 11.750 -16.155 -1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.446 -14.447 -2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.491 -15.488 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.292 -16.934 -1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.065 -16.244 -2.153 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.411 -18.059 -3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.890 -17.262 -4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.993 -19.103 -3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.630 -18.453 -1.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.697 -20.694 -1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.448 -19.558 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.800 -20.188 -3.174 1.00 0.00 H new ATOM 66 N LYS A 7 11.610 -13.130 -2.364 1.00 0.00 N ATOM 67 CA LYS A 7 12.468 -11.934 -2.610 1.00 0.00 C ATOM 68 C LYS A 7 11.829 -10.690 -1.986 1.00 0.00 C ATOM 69 O LYS A 7 10.624 -10.594 -1.865 1.00 0.00 O ATOM 70 CB LYS A 7 12.534 -11.801 -4.132 1.00 0.00 C ATOM 71 CG LYS A 7 13.608 -12.744 -4.679 1.00 0.00 C ATOM 72 CD LYS A 7 12.942 -13.883 -5.453 1.00 0.00 C ATOM 73 CE LYS A 7 12.833 -13.501 -6.930 1.00 0.00 C ATOM 74 NZ LYS A 7 14.200 -13.703 -7.482 1.00 0.00 N ATOM 0 H LYS A 7 10.725 -13.143 -2.872 1.00 0.00 H new ATOM 0 HA LYS A 7 13.459 -12.036 -2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.566 -12.041 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.763 -10.772 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.289 -12.197 -5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.204 -13.147 -3.860 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.523 -14.799 -5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.952 -14.084 -5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.103 -14.124 -7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.509 -12.467 -7.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.505 -12.841 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.861 -13.908 -6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.191 -14.501 -8.148 1.00 0.00 H new ATOM 88 N THR A 8 12.627 -9.739 -1.582 1.00 0.00 N ATOM 89 CA THR A 8 12.062 -8.505 -0.963 1.00 0.00 C ATOM 90 C THR A 8 12.419 -7.271 -1.796 1.00 0.00 C ATOM 91 O THR A 8 13.419 -7.240 -2.484 1.00 0.00 O ATOM 92 CB THR A 8 12.714 -8.426 0.418 1.00 0.00 C ATOM 93 OG1 THR A 8 12.170 -9.436 1.255 1.00 0.00 O ATOM 94 CG2 THR A 8 12.446 -7.051 1.032 1.00 0.00 C ATOM 0 H THR A 8 13.644 -9.763 -1.653 1.00 0.00 H new ATOM 0 HA THR A 8 10.974 -8.537 -0.904 1.00 0.00 H new ATOM 0 HB THR A 8 13.790 -8.575 0.322 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.588 -9.388 2.140 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.911 -6.995 2.016 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.865 -6.277 0.388 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.371 -6.899 1.129 1.00 0.00 H new ATOM 102 N TYR A 9 11.606 -6.251 -1.734 1.00 0.00 N ATOM 103 CA TYR A 9 11.893 -5.012 -2.515 1.00 0.00 C ATOM 104 C TYR A 9 12.640 -3.997 -1.643 1.00 0.00 C ATOM 105 O TYR A 9 12.667 -4.106 -0.433 1.00 0.00 O ATOM 106 CB TYR A 9 10.526 -4.451 -2.885 1.00 0.00 C ATOM 107 CG TYR A 9 9.974 -5.152 -4.103 1.00 0.00 C ATOM 108 CD1 TYR A 9 10.321 -6.479 -4.378 1.00 0.00 C ATOM 109 CD2 TYR A 9 9.102 -4.465 -4.957 1.00 0.00 C ATOM 110 CE1 TYR A 9 9.798 -7.118 -5.510 1.00 0.00 C ATOM 111 CE2 TYR A 9 8.579 -5.101 -6.085 1.00 0.00 C ATOM 112 CZ TYR A 9 8.926 -6.429 -6.363 1.00 0.00 C ATOM 113 OH TYR A 9 8.411 -7.059 -7.479 1.00 0.00 O ATOM 0 H TYR A 9 10.753 -6.222 -1.175 1.00 0.00 H new ATOM 0 HA TYR A 9 12.512 -5.218 -3.388 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.839 -4.571 -2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 9 10.607 -3.382 -3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 9 10.991 -7.010 -3.719 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.833 -3.441 -4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 9 10.067 -8.142 -5.725 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.907 -4.569 -6.743 1.00 0.00 H new ATOM 0 HH TYR A 9 7.823 -6.441 -7.961 1.00 0.00 H new ATOM 123 N THR A 10 13.238 -3.004 -2.245 1.00 0.00 N ATOM 124 CA THR A 10 13.971 -1.979 -1.444 1.00 0.00 C ATOM 125 C THR A 10 13.567 -0.566 -1.881 1.00 0.00 C ATOM 126 O THR A 10 13.518 -0.262 -3.057 1.00 0.00 O ATOM 127 CB THR A 10 15.448 -2.238 -1.736 1.00 0.00 C ATOM 128 OG1 THR A 10 15.679 -2.136 -3.134 1.00 0.00 O ATOM 129 CG2 THR A 10 15.817 -3.640 -1.254 1.00 0.00 C ATOM 0 H THR A 10 13.251 -2.858 -3.254 1.00 0.00 H new ATOM 0 HA THR A 10 13.748 -2.048 -0.379 1.00 0.00 H new ATOM 0 HB THR A 10 16.061 -1.502 -1.216 1.00 0.00 H new ATOM 0 HG1 THR A 10 15.067 -1.475 -3.519 1.00 0.00 H new ATOM 0 HG21 THR A 10 16.870 -3.830 -1.460 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.638 -3.715 -0.181 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.206 -4.377 -1.776 1.00 0.00 H new ATOM 137 N TRP A 11 13.278 0.300 -0.947 1.00 0.00 N ATOM 138 CA TRP A 11 12.882 1.693 -1.313 1.00 0.00 C ATOM 139 C TRP A 11 13.823 2.704 -0.654 1.00 0.00 C ATOM 140 O TRP A 11 14.274 2.514 0.458 1.00 0.00 O ATOM 141 CB TRP A 11 11.458 1.861 -0.777 1.00 0.00 C ATOM 142 CG TRP A 11 10.495 1.260 -1.743 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.943 1.906 -2.794 1.00 0.00 C ATOM 144 CD2 TRP A 11 9.963 -0.094 -1.769 1.00 0.00 C ATOM 145 NE1 TRP A 11 9.108 1.033 -3.465 1.00 0.00 N ATOM 146 CE2 TRP A 11 9.089 -0.214 -2.872 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.157 -1.219 -0.951 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.430 -1.409 -3.153 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.494 -2.423 -1.232 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.632 -2.515 -2.331 1.00 0.00 C ATOM 0 H TRP A 11 13.299 0.104 0.054 1.00 0.00 H new ATOM 0 HA TRP A 11 12.935 1.863 -2.388 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.364 1.379 0.196 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.234 2.918 -0.632 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.125 2.936 -3.065 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.571 1.280 -4.297 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.820 -1.157 -0.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.767 -1.477 -4.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.649 -3.283 -0.597 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.123 -3.444 -2.542 1.00 0.00 H new ATOM 161 N ASN A 12 14.121 3.779 -1.332 1.00 0.00 N ATOM 162 CA ASN A 12 15.031 4.803 -0.742 1.00 0.00 C ATOM 163 C ASN A 12 14.316 6.155 -0.663 1.00 0.00 C ATOM 164 O ASN A 12 14.512 6.919 0.260 1.00 0.00 O ATOM 165 CB ASN A 12 16.220 4.879 -1.700 1.00 0.00 C ATOM 166 CG ASN A 12 17.447 5.399 -0.949 1.00 0.00 C ATOM 167 OD1 ASN A 12 17.361 5.744 0.213 1.00 0.00 O ATOM 168 ND2 ASN A 12 18.594 5.471 -1.567 1.00 0.00 N ATOM 0 H ASN A 12 13.775 3.993 -2.267 1.00 0.00 H new ATOM 0 HA ASN A 12 15.343 4.546 0.270 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.427 3.894 -2.119 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.986 5.538 -2.536 1.00 0.00 H new ATOM 0 HD21 ASN A 12 19.418 5.817 -1.075 1.00 0.00 H new ATOM 0 HD22 ASN A 12 18.667 5.182 -2.542 1.00 0.00 H new ATOM 175 N THR A 13 13.489 6.454 -1.628 1.00 0.00 N ATOM 176 CA THR A 13 12.760 7.755 -1.611 1.00 0.00 C ATOM 177 C THR A 13 11.308 7.543 -1.172 1.00 0.00 C ATOM 178 O THR A 13 10.761 6.467 -1.300 1.00 0.00 O ATOM 179 CB THR A 13 12.814 8.257 -3.054 1.00 0.00 C ATOM 180 OG1 THR A 13 12.462 7.197 -3.934 1.00 0.00 O ATOM 181 CG2 THR A 13 14.229 8.742 -3.374 1.00 0.00 C ATOM 0 H THR A 13 13.287 5.854 -2.427 1.00 0.00 H new ATOM 0 HA THR A 13 13.202 8.467 -0.914 1.00 0.00 H new ATOM 0 HB THR A 13 12.114 9.082 -3.180 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.494 7.516 -4.860 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.267 9.100 -4.403 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.497 9.553 -2.697 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.933 7.919 -3.250 1.00 0.00 H new ATOM 189 N LYS A 14 10.682 8.563 -0.654 1.00 0.00 N ATOM 190 CA LYS A 14 9.268 8.421 -0.203 1.00 0.00 C ATOM 191 C LYS A 14 8.336 8.217 -1.403 1.00 0.00 C ATOM 192 O LYS A 14 7.307 7.580 -1.297 1.00 0.00 O ATOM 193 CB LYS A 14 8.947 9.735 0.508 1.00 0.00 C ATOM 194 CG LYS A 14 8.799 9.480 2.008 1.00 0.00 C ATOM 195 CD LYS A 14 7.454 10.023 2.492 1.00 0.00 C ATOM 196 CE LYS A 14 7.233 9.615 3.949 1.00 0.00 C ATOM 197 NZ LYS A 14 8.524 9.910 4.630 1.00 0.00 N ATOM 0 H LYS A 14 11.088 9.489 -0.523 1.00 0.00 H new ATOM 0 HA LYS A 14 9.131 7.558 0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.740 10.461 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.027 10.162 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.866 8.412 2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.613 9.961 2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.434 11.109 2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.648 9.636 1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.413 10.177 4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.977 8.559 4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.364 10.002 5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.195 9.135 4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.917 10.799 4.260 1.00 0.00 H new ATOM 211 N GLU A 15 8.683 8.757 -2.540 1.00 0.00 N ATOM 212 CA GLU A 15 7.806 8.595 -3.736 1.00 0.00 C ATOM 213 C GLU A 15 7.779 7.133 -4.186 1.00 0.00 C ATOM 214 O GLU A 15 6.735 6.576 -4.460 1.00 0.00 O ATOM 215 CB GLU A 15 8.434 9.475 -4.815 1.00 0.00 C ATOM 216 CG GLU A 15 7.822 9.132 -6.175 1.00 0.00 C ATOM 217 CD GLU A 15 8.489 9.978 -7.262 1.00 0.00 C ATOM 218 OE1 GLU A 15 9.581 9.621 -7.676 1.00 0.00 O ATOM 219 OE2 GLU A 15 7.897 10.966 -7.663 1.00 0.00 O ATOM 0 H GLU A 15 9.532 9.301 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 15 6.775 8.880 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.266 10.527 -4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.513 9.322 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.957 8.072 -6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.748 9.320 -6.161 1.00 0.00 H new ATOM 226 N GLU A 16 8.919 6.511 -4.268 1.00 0.00 N ATOM 227 CA GLU A 16 8.960 5.086 -4.705 1.00 0.00 C ATOM 228 C GLU A 16 8.244 4.201 -3.685 1.00 0.00 C ATOM 229 O GLU A 16 7.451 3.349 -4.036 1.00 0.00 O ATOM 230 CB GLU A 16 10.446 4.733 -4.778 1.00 0.00 C ATOM 231 CG GLU A 16 11.031 5.261 -6.089 1.00 0.00 C ATOM 232 CD GLU A 16 10.490 4.436 -7.259 1.00 0.00 C ATOM 233 OE1 GLU A 16 9.319 4.581 -7.569 1.00 0.00 O ATOM 234 OE2 GLU A 16 11.256 3.674 -7.826 1.00 0.00 O ATOM 0 H GLU A 16 9.826 6.926 -4.052 1.00 0.00 H new ATOM 0 HA GLU A 16 8.461 4.933 -5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.976 5.167 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.578 3.653 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.770 6.311 -6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.119 5.204 -6.063 1.00 0.00 H new ATOM 241 N ALA A 17 8.515 4.398 -2.429 1.00 0.00 N ATOM 242 CA ALA A 17 7.847 3.571 -1.387 1.00 0.00 C ATOM 243 C ALA A 17 6.338 3.830 -1.408 1.00 0.00 C ATOM 244 O ALA A 17 5.539 2.912 -1.402 1.00 0.00 O ATOM 245 CB ALA A 17 8.453 4.037 -0.064 1.00 0.00 C ATOM 0 H ALA A 17 9.170 5.096 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 17 7.992 2.502 -1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.011 3.473 0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.530 3.872 -0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.251 5.099 0.075 1.00 0.00 H new ATOM 251 N LYS A 18 5.945 5.073 -1.446 1.00 0.00 N ATOM 252 CA LYS A 18 4.491 5.391 -1.483 1.00 0.00 C ATOM 253 C LYS A 18 3.899 4.904 -2.804 1.00 0.00 C ATOM 254 O LYS A 18 2.770 4.458 -2.868 1.00 0.00 O ATOM 255 CB LYS A 18 4.415 6.915 -1.394 1.00 0.00 C ATOM 256 CG LYS A 18 3.119 7.324 -0.688 1.00 0.00 C ATOM 257 CD LYS A 18 3.283 8.719 -0.082 1.00 0.00 C ATOM 258 CE LYS A 18 2.290 9.681 -0.740 1.00 0.00 C ATOM 259 NZ LYS A 18 2.543 10.999 -0.094 1.00 0.00 N ATOM 0 H LYS A 18 6.567 5.881 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 18 3.935 4.912 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.276 7.301 -0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.450 7.350 -2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.290 7.319 -1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.875 6.604 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.112 8.682 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.303 9.074 -0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.446 9.733 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.262 9.355 -0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.899 11.711 -0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.380 10.921 0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.527 11.287 -0.267 1.00 0.00 H new ATOM 273 N GLN A 19 4.662 4.986 -3.859 1.00 0.00 N ATOM 274 CA GLN A 19 4.158 4.528 -5.182 1.00 0.00 C ATOM 275 C GLN A 19 3.967 3.010 -5.174 1.00 0.00 C ATOM 276 O GLN A 19 2.995 2.499 -5.694 1.00 0.00 O ATOM 277 CB GLN A 19 5.242 4.931 -6.182 1.00 0.00 C ATOM 278 CG GLN A 19 4.734 4.699 -7.607 1.00 0.00 C ATOM 279 CD GLN A 19 4.914 3.226 -7.980 1.00 0.00 C ATOM 280 OE1 GLN A 19 3.948 2.515 -8.174 1.00 0.00 O ATOM 281 NE2 GLN A 19 6.119 2.735 -8.087 1.00 0.00 N ATOM 0 H GLN A 19 5.614 5.351 -3.861 1.00 0.00 H new ATOM 0 HA GLN A 19 3.193 4.968 -5.433 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.506 5.980 -6.045 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.147 4.349 -6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.683 4.978 -7.679 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.280 5.332 -8.307 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.929 3.332 -7.924 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.250 1.754 -8.334 1.00 0.00 H new ATOM 290 N ALA A 20 4.875 2.280 -4.582 1.00 0.00 N ATOM 291 CA ALA A 20 4.710 0.800 -4.549 1.00 0.00 C ATOM 292 C ALA A 20 3.537 0.442 -3.640 1.00 0.00 C ATOM 293 O ALA A 20 2.812 -0.500 -3.887 1.00 0.00 O ATOM 294 CB ALA A 20 6.021 0.245 -3.993 1.00 0.00 C ATOM 0 H ALA A 20 5.713 2.640 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 20 4.500 0.384 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.964 -0.842 -3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.845 0.536 -4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.191 0.645 -2.994 1.00 0.00 H new ATOM 300 N PHE A 21 3.333 1.197 -2.595 1.00 0.00 N ATOM 301 CA PHE A 21 2.191 0.904 -1.686 1.00 0.00 C ATOM 302 C PHE A 21 0.877 1.179 -2.422 1.00 0.00 C ATOM 303 O PHE A 21 -0.048 0.390 -2.387 1.00 0.00 O ATOM 304 CB PHE A 21 2.361 1.855 -0.501 1.00 0.00 C ATOM 305 CG PHE A 21 1.505 1.376 0.646 1.00 0.00 C ATOM 306 CD1 PHE A 21 0.170 1.786 0.739 1.00 0.00 C ATOM 307 CD2 PHE A 21 2.042 0.517 1.613 1.00 0.00 C ATOM 308 CE1 PHE A 21 -0.627 1.338 1.798 1.00 0.00 C ATOM 309 CE2 PHE A 21 1.245 0.070 2.674 1.00 0.00 C ATOM 310 CZ PHE A 21 -0.090 0.482 2.765 1.00 0.00 C ATOM 0 H PHE A 21 3.905 2.000 -2.333 1.00 0.00 H new ATOM 0 HA PHE A 21 2.170 -0.135 -1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.407 1.894 -0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.074 2.867 -0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.245 2.448 -0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.072 0.199 1.540 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.658 1.653 1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.659 -0.591 3.421 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.706 0.138 3.583 1.00 0.00 H new ATOM 320 N LYS A 22 0.794 2.285 -3.114 1.00 0.00 N ATOM 321 CA LYS A 22 -0.451 2.586 -3.872 1.00 0.00 C ATOM 322 C LYS A 22 -0.596 1.562 -4.995 1.00 0.00 C ATOM 323 O LYS A 22 -1.639 0.967 -5.181 1.00 0.00 O ATOM 324 CB LYS A 22 -0.256 3.993 -4.436 1.00 0.00 C ATOM 325 CG LYS A 22 -0.724 5.022 -3.404 1.00 0.00 C ATOM 326 CD LYS A 22 -0.617 6.427 -3.995 1.00 0.00 C ATOM 327 CE LYS A 22 0.029 7.364 -2.972 1.00 0.00 C ATOM 328 NZ LYS A 22 -1.091 7.800 -2.091 1.00 0.00 N ATOM 0 H LYS A 22 1.530 2.987 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.349 2.537 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.794 4.157 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.820 4.107 -5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.754 4.817 -3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.117 4.949 -2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.023 6.404 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.606 6.795 -4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.804 6.852 -2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.502 8.216 -3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.706 8.261 -1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.696 8.472 -2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.654 6.972 -1.810 1.00 0.00 H new ATOM 342 N GLU A 23 0.459 1.333 -5.730 1.00 0.00 N ATOM 343 CA GLU A 23 0.398 0.325 -6.820 1.00 0.00 C ATOM 344 C GLU A 23 0.062 -1.034 -6.212 1.00 0.00 C ATOM 345 O GLU A 23 -0.584 -1.863 -6.820 1.00 0.00 O ATOM 346 CB GLU A 23 1.798 0.308 -7.433 1.00 0.00 C ATOM 347 CG GLU A 23 1.697 0.005 -8.928 1.00 0.00 C ATOM 348 CD GLU A 23 1.230 1.258 -9.670 1.00 0.00 C ATOM 349 OE1 GLU A 23 0.922 2.235 -9.008 1.00 0.00 O ATOM 350 OE2 GLU A 23 1.187 1.219 -10.888 1.00 0.00 O ATOM 0 H GLU A 23 1.358 1.801 -5.621 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.359 0.554 -7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.286 1.270 -7.278 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.413 -0.444 -6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.665 -0.318 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.998 -0.814 -9.098 1.00 0.00 H new ATOM 357 N LEU A 24 0.493 -1.256 -5.000 1.00 0.00 N ATOM 358 CA LEU A 24 0.196 -2.548 -4.325 1.00 0.00 C ATOM 359 C LEU A 24 -1.317 -2.704 -4.176 1.00 0.00 C ATOM 360 O LEU A 24 -1.889 -3.702 -4.563 1.00 0.00 O ATOM 361 CB LEU A 24 0.867 -2.436 -2.953 1.00 0.00 C ATOM 362 CG LEU A 24 0.706 -3.747 -2.184 1.00 0.00 C ATOM 363 CD1 LEU A 24 1.001 -4.929 -3.109 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.685 -3.761 -1.006 1.00 0.00 C ATOM 0 H LEU A 24 1.040 -0.595 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 24 0.559 -3.413 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.925 -2.204 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.423 -1.616 -2.388 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.316 -3.830 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.885 -5.861 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.306 -4.916 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.022 -4.853 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.575 -4.694 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.706 -3.679 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.472 -2.920 -0.346 1.00 0.00 H new ATOM 376 N LEU A 25 -1.971 -1.714 -3.633 1.00 0.00 N ATOM 377 CA LEU A 25 -3.450 -1.801 -3.481 1.00 0.00 C ATOM 378 C LEU A 25 -4.101 -1.929 -4.860 1.00 0.00 C ATOM 379 O LEU A 25 -5.108 -2.589 -5.026 1.00 0.00 O ATOM 380 CB LEU A 25 -3.860 -0.490 -2.815 1.00 0.00 C ATOM 381 CG LEU A 25 -3.837 -0.659 -1.300 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.943 0.417 -0.682 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.258 -0.511 -0.758 1.00 0.00 C ATOM 0 H LEU A 25 -1.547 -0.852 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.760 -2.665 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.181 0.309 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.858 -0.199 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.447 -1.645 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.926 0.297 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.931 0.318 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.335 1.403 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.249 -0.631 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.643 0.477 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.898 -1.274 -1.202 1.00 0.00 H new ATOM 395 N LYS A 26 -3.525 -1.302 -5.852 1.00 0.00 N ATOM 396 CA LYS A 26 -4.100 -1.393 -7.224 1.00 0.00 C ATOM 397 C LYS A 26 -3.972 -2.826 -7.739 1.00 0.00 C ATOM 398 O LYS A 26 -4.894 -3.381 -8.303 1.00 0.00 O ATOM 399 CB LYS A 26 -3.259 -0.437 -8.072 1.00 0.00 C ATOM 400 CG LYS A 26 -4.143 0.217 -9.136 1.00 0.00 C ATOM 401 CD LYS A 26 -4.220 -0.690 -10.366 1.00 0.00 C ATOM 402 CE LYS A 26 -4.017 0.147 -11.631 1.00 0.00 C ATOM 403 NZ LYS A 26 -2.701 -0.289 -12.174 1.00 0.00 N ATOM 0 H LYS A 26 -2.683 -0.732 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.158 -1.132 -7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.809 0.327 -7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.441 -0.979 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.142 0.391 -8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.737 1.190 -9.413 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.459 -1.468 -10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.187 -1.192 -10.401 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.817 -0.025 -12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.016 1.213 -11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.491 0.241 -13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.957 -0.107 -11.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.734 -1.306 -12.388 1.00 0.00 H new ATOM 417 N GLU A 27 -2.835 -3.436 -7.536 1.00 0.00 N ATOM 418 CA GLU A 27 -2.649 -4.838 -8.002 1.00 0.00 C ATOM 419 C GLU A 27 -3.508 -5.772 -7.148 1.00 0.00 C ATOM 420 O GLU A 27 -3.917 -6.831 -7.581 1.00 0.00 O ATOM 421 CB GLU A 27 -1.164 -5.132 -7.793 1.00 0.00 C ATOM 422 CG GLU A 27 -0.886 -6.602 -8.114 1.00 0.00 C ATOM 423 CD GLU A 27 0.523 -6.740 -8.693 1.00 0.00 C ATOM 424 OE1 GLU A 27 1.455 -6.847 -7.914 1.00 0.00 O ATOM 425 OE2 GLU A 27 0.645 -6.734 -9.907 1.00 0.00 O ATOM 0 H GLU A 27 -2.028 -3.023 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.943 -4.981 -9.042 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.561 -4.488 -8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.880 -4.913 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.981 -7.206 -7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.622 -6.975 -8.827 1.00 0.00 H new ATOM 432 N LYS A 28 -3.790 -5.374 -5.937 1.00 0.00 N ATOM 433 CA LYS A 28 -4.632 -6.219 -5.044 1.00 0.00 C ATOM 434 C LYS A 28 -6.114 -5.965 -5.325 1.00 0.00 C ATOM 435 O LYS A 28 -6.983 -6.604 -4.764 1.00 0.00 O ATOM 436 CB LYS A 28 -4.264 -5.779 -3.626 1.00 0.00 C ATOM 437 CG LYS A 28 -3.132 -6.659 -3.096 1.00 0.00 C ATOM 438 CD LYS A 28 -1.812 -6.248 -3.747 1.00 0.00 C ATOM 439 CE LYS A 28 -0.933 -7.485 -3.953 1.00 0.00 C ATOM 440 NZ LYS A 28 -0.647 -7.998 -2.583 1.00 0.00 N ATOM 0 H LYS A 28 -3.472 -4.496 -5.527 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.462 -7.285 -5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.956 -4.733 -3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.134 -5.855 -2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.060 -6.562 -2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.343 -7.707 -3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.003 -5.762 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.295 -5.523 -3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.445 -8.236 -4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.012 -7.230 -4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.258 -8.960 -2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.044 -7.376 -2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.527 -8.016 -2.028 1.00 0.00 H new ATOM 454 N ARG A 29 -6.408 -5.038 -6.195 1.00 0.00 N ATOM 455 CA ARG A 29 -7.831 -4.741 -6.522 1.00 0.00 C ATOM 456 C ARG A 29 -8.589 -4.290 -5.270 1.00 0.00 C ATOM 457 O ARG A 29 -9.778 -4.510 -5.145 1.00 0.00 O ATOM 458 CB ARG A 29 -8.401 -6.061 -7.046 1.00 0.00 C ATOM 459 CG ARG A 29 -8.380 -6.058 -8.575 1.00 0.00 C ATOM 460 CD ARG A 29 -7.941 -7.433 -9.083 1.00 0.00 C ATOM 461 NE ARG A 29 -8.863 -7.737 -10.212 1.00 0.00 N ATOM 462 CZ ARG A 29 -8.452 -8.473 -11.209 1.00 0.00 C ATOM 463 NH1 ARG A 29 -8.409 -7.975 -12.414 1.00 0.00 N ATOM 464 NH2 ARG A 29 -8.085 -9.709 -11.000 1.00 0.00 N ATOM 0 H ARG A 29 -5.722 -4.472 -6.695 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.923 -3.936 -7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.815 -6.898 -6.666 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.421 -6.196 -6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.369 -5.815 -8.962 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.698 -5.290 -8.938 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.903 -7.419 -9.414 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.015 -8.186 -8.299 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.815 -7.371 -10.206 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.697 -7.010 -12.578 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.088 -8.550 -13.192 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.120 -10.099 -10.058 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.764 -10.284 -11.779 1.00 0.00 H new ATOM 478 N VAL A 30 -7.921 -3.659 -4.343 1.00 0.00 N ATOM 479 CA VAL A 30 -8.630 -3.201 -3.111 1.00 0.00 C ATOM 480 C VAL A 30 -9.752 -2.232 -3.491 1.00 0.00 C ATOM 481 O VAL A 30 -9.540 -1.306 -4.250 1.00 0.00 O ATOM 482 CB VAL A 30 -7.570 -2.487 -2.269 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.221 -1.923 -1.007 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.476 -3.478 -1.871 1.00 0.00 C ATOM 0 H VAL A 30 -6.925 -3.442 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.083 -4.029 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.132 -1.677 -2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.468 -1.414 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.002 -1.216 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.658 -2.737 -0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.723 -2.967 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.914 -4.289 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.010 -3.886 -2.768 1.00 0.00 H new ATOM 494 N PRO A 31 -10.916 -2.477 -2.950 1.00 0.00 N ATOM 495 CA PRO A 31 -12.086 -1.613 -3.243 1.00 0.00 C ATOM 496 C PRO A 31 -11.922 -0.246 -2.574 1.00 0.00 C ATOM 497 O PRO A 31 -11.083 -0.059 -1.715 1.00 0.00 O ATOM 498 CB PRO A 31 -13.259 -2.382 -2.641 1.00 0.00 C ATOM 499 CG PRO A 31 -12.652 -3.238 -1.577 1.00 0.00 C ATOM 500 CD PRO A 31 -11.252 -3.568 -2.027 1.00 0.00 C ATOM 0 HA PRO A 31 -12.217 -1.413 -4.306 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.004 -1.704 -2.225 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.763 -2.987 -3.395 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.637 -2.714 -0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.236 -4.147 -1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.560 -3.608 -1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.209 -4.538 -2.522 1.00 0.00 H new ATOM 508 N SER A 32 -12.713 0.712 -2.969 1.00 0.00 N ATOM 509 CA SER A 32 -12.605 2.073 -2.367 1.00 0.00 C ATOM 510 C SER A 32 -13.148 2.076 -0.934 1.00 0.00 C ATOM 511 O SER A 32 -13.026 3.051 -0.221 1.00 0.00 O ATOM 512 CB SER A 32 -13.458 2.969 -3.263 1.00 0.00 C ATOM 513 OG SER A 32 -13.118 4.328 -3.030 1.00 0.00 O ATOM 0 H SER A 32 -13.432 0.612 -3.685 1.00 0.00 H new ATOM 0 HA SER A 32 -11.571 2.413 -2.309 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.295 2.716 -4.311 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.516 2.807 -3.057 1.00 0.00 H new ATOM 0 HG SER A 32 -13.114 4.815 -3.881 1.00 0.00 H new ATOM 519 N ASN A 33 -13.755 1.001 -0.507 1.00 0.00 N ATOM 520 CA ASN A 33 -14.307 0.966 0.878 1.00 0.00 C ATOM 521 C ASN A 33 -13.660 -0.157 1.696 1.00 0.00 C ATOM 522 O ASN A 33 -14.154 -0.536 2.739 1.00 0.00 O ATOM 523 CB ASN A 33 -15.802 0.702 0.699 1.00 0.00 C ATOM 524 CG ASN A 33 -15.999 -0.616 -0.052 1.00 0.00 C ATOM 525 OD1 ASN A 33 -16.260 -0.619 -1.238 1.00 0.00 O ATOM 526 ND2 ASN A 33 -15.885 -1.744 0.593 1.00 0.00 N ATOM 0 H ASN A 33 -13.892 0.151 -1.053 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.112 1.893 1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.293 0.656 1.671 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.263 1.521 0.147 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.015 -2.628 0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.666 -1.742 1.589 1.00 0.00 H new ATOM 533 N ALA A 34 -12.562 -0.693 1.237 1.00 0.00 N ATOM 534 CA ALA A 34 -11.899 -1.788 2.004 1.00 0.00 C ATOM 535 C ALA A 34 -11.428 -1.268 3.362 1.00 0.00 C ATOM 536 O ALA A 34 -11.091 -0.111 3.511 1.00 0.00 O ATOM 537 CB ALA A 34 -10.695 -2.211 1.160 1.00 0.00 C ATOM 0 H ALA A 34 -12.097 -0.423 0.370 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.578 -2.620 2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.160 -3.015 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.038 -2.560 0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.028 -1.360 1.026 1.00 0.00 H new ATOM 543 N SER A 35 -11.386 -2.116 4.348 1.00 0.00 N ATOM 544 CA SER A 35 -10.917 -1.672 5.690 1.00 0.00 C ATOM 545 C SER A 35 -9.401 -1.846 5.772 1.00 0.00 C ATOM 546 O SER A 35 -8.834 -2.685 5.102 1.00 0.00 O ATOM 547 CB SER A 35 -11.613 -2.597 6.683 1.00 0.00 C ATOM 548 OG SER A 35 -10.963 -3.863 6.677 1.00 0.00 O ATOM 0 H SER A 35 -11.656 -3.098 4.284 1.00 0.00 H new ATOM 0 HA SER A 35 -11.144 -0.625 5.892 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.584 -2.165 7.683 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.663 -2.713 6.416 1.00 0.00 H new ATOM 0 HG SER A 35 -11.586 -4.549 6.357 1.00 0.00 H new ATOM 554 N TRP A 36 -8.732 -1.069 6.575 1.00 0.00 N ATOM 555 CA TRP A 36 -7.256 -1.226 6.662 1.00 0.00 C ATOM 556 C TRP A 36 -6.907 -2.698 6.879 1.00 0.00 C ATOM 557 O TRP A 36 -5.883 -3.172 6.437 1.00 0.00 O ATOM 558 CB TRP A 36 -6.811 -0.392 7.861 1.00 0.00 C ATOM 559 CG TRP A 36 -5.351 -0.622 8.083 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.776 -0.890 9.278 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.273 -0.619 7.102 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.414 -1.050 9.092 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.055 -0.892 7.767 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.236 -0.408 5.711 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -1.842 -0.953 7.076 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.018 -0.468 5.016 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.825 -0.739 5.698 1.00 0.00 C ATOM 0 H TRP A 36 -9.136 -0.343 7.166 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.759 -0.899 5.749 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.005 0.665 7.680 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.378 -0.672 8.749 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.295 -0.967 10.222 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.755 -1.259 9.842 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.150 -0.199 5.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -0.925 -1.164 7.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.001 -0.304 3.949 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.892 -0.782 5.157 1.00 0.00 H new ATOM 578 N GLU A 37 -7.753 -3.427 7.555 1.00 0.00 N ATOM 579 CA GLU A 37 -7.465 -4.870 7.791 1.00 0.00 C ATOM 580 C GLU A 37 -7.475 -5.628 6.460 1.00 0.00 C ATOM 581 O GLU A 37 -6.570 -6.379 6.154 1.00 0.00 O ATOM 582 CB GLU A 37 -8.598 -5.358 8.694 1.00 0.00 C ATOM 583 CG GLU A 37 -8.677 -4.471 9.937 1.00 0.00 C ATOM 584 CD GLU A 37 -7.979 -5.169 11.106 1.00 0.00 C ATOM 585 OE1 GLU A 37 -6.759 -5.160 11.132 1.00 0.00 O ATOM 586 OE2 GLU A 37 -8.676 -5.703 11.953 1.00 0.00 O ATOM 0 H GLU A 37 -8.628 -3.087 7.953 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.487 -5.030 8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.545 -5.331 8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.426 -6.394 8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.206 -3.508 9.740 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.719 -4.271 10.188 1.00 0.00 H new ATOM 593 N GLN A 38 -8.491 -5.427 5.667 1.00 0.00 N ATOM 594 CA GLN A 38 -8.564 -6.129 4.352 1.00 0.00 C ATOM 595 C GLN A 38 -7.529 -5.553 3.387 1.00 0.00 C ATOM 596 O GLN A 38 -6.817 -6.274 2.717 1.00 0.00 O ATOM 597 CB GLN A 38 -9.977 -5.854 3.842 1.00 0.00 C ATOM 598 CG GLN A 38 -10.918 -6.944 4.346 1.00 0.00 C ATOM 599 CD GLN A 38 -12.340 -6.389 4.443 1.00 0.00 C ATOM 600 OE1 GLN A 38 -12.885 -6.267 5.522 1.00 0.00 O ATOM 601 NE2 GLN A 38 -12.967 -6.043 3.352 1.00 0.00 N ATOM 0 H GLN A 38 -9.275 -4.807 5.872 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.358 -7.196 4.440 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.316 -4.877 4.187 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.984 -5.828 2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.896 -7.799 3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.588 -7.300 5.322 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.509 -6.146 2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.915 -5.670 3.405 1.00 0.00 H new ATOM 610 N ALA A 39 -7.443 -4.256 3.315 1.00 0.00 N ATOM 611 CA ALA A 39 -6.458 -3.622 2.395 1.00 0.00 C ATOM 612 C ALA A 39 -5.030 -3.943 2.839 1.00 0.00 C ATOM 613 O ALA A 39 -4.178 -4.258 2.034 1.00 0.00 O ATOM 614 CB ALA A 39 -6.723 -2.120 2.505 1.00 0.00 C ATOM 0 H ALA A 39 -8.013 -3.605 3.855 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.561 -3.984 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.035 -1.581 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.749 -1.908 2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.575 -1.799 3.536 1.00 0.00 H new ATOM 620 N MET A 40 -4.762 -3.853 4.114 1.00 0.00 N ATOM 621 CA MET A 40 -3.385 -4.137 4.616 1.00 0.00 C ATOM 622 C MET A 40 -3.000 -5.597 4.379 1.00 0.00 C ATOM 623 O MET A 40 -1.926 -5.884 3.905 1.00 0.00 O ATOM 624 CB MET A 40 -3.431 -3.844 6.114 1.00 0.00 C ATOM 625 CG MET A 40 -2.086 -4.208 6.746 1.00 0.00 C ATOM 626 SD MET A 40 -2.105 -5.947 7.250 1.00 0.00 S ATOM 627 CE MET A 40 -2.370 -5.668 9.018 1.00 0.00 C ATOM 0 H MET A 40 -5.439 -3.594 4.832 1.00 0.00 H new ATOM 0 HA MET A 40 -2.643 -3.530 4.097 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.651 -2.790 6.283 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.232 -4.416 6.583 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.279 -4.034 6.034 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.893 -3.571 7.609 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.415 -6.627 9.535 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.547 -5.077 9.420 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.308 -5.132 9.165 1.00 0.00 H new ATOM 637 N LYS A 41 -3.853 -6.523 4.714 1.00 0.00 N ATOM 638 CA LYS A 41 -3.498 -7.959 4.507 1.00 0.00 C ATOM 639 C LYS A 41 -3.310 -8.253 3.014 1.00 0.00 C ATOM 640 O LYS A 41 -2.336 -8.865 2.604 1.00 0.00 O ATOM 641 CB LYS A 41 -4.691 -8.735 5.066 1.00 0.00 C ATOM 642 CG LYS A 41 -4.612 -10.198 4.628 1.00 0.00 C ATOM 643 CD LYS A 41 -5.909 -10.585 3.913 1.00 0.00 C ATOM 644 CE LYS A 41 -5.602 -10.964 2.462 1.00 0.00 C ATOM 645 NZ LYS A 41 -5.566 -12.453 2.453 1.00 0.00 N ATOM 0 H LYS A 41 -4.774 -6.353 5.119 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.564 -8.233 4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.699 -8.672 6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.622 -8.291 4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.760 -10.345 3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.456 -10.841 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.383 -11.422 4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.614 -9.754 3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.366 -10.583 1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.650 -10.544 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.360 -12.789 1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.825 -12.786 3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.488 -12.824 2.760 1.00 0.00 H new ATOM 659 N MET A 42 -4.233 -7.819 2.200 1.00 0.00 N ATOM 660 CA MET A 42 -4.120 -8.071 0.736 1.00 0.00 C ATOM 661 C MET A 42 -2.814 -7.492 0.190 1.00 0.00 C ATOM 662 O MET A 42 -2.246 -8.002 -0.754 1.00 0.00 O ATOM 663 CB MET A 42 -5.320 -7.351 0.116 1.00 0.00 C ATOM 664 CG MET A 42 -6.619 -7.945 0.663 1.00 0.00 C ATOM 665 SD MET A 42 -7.337 -9.060 -0.569 1.00 0.00 S ATOM 666 CE MET A 42 -7.781 -7.796 -1.785 1.00 0.00 C ATOM 0 H MET A 42 -5.063 -7.299 2.487 1.00 0.00 H new ATOM 0 HA MET A 42 -4.114 -9.136 0.505 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.273 -6.286 0.342 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.293 -7.448 -0.969 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.423 -8.486 1.589 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.323 -7.148 0.903 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.626 -8.144 -2.379 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.054 -6.875 -1.270 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.931 -7.607 -2.440 1.00 0.00 H new ATOM 676 N ILE A 43 -2.337 -6.423 0.766 1.00 0.00 N ATOM 677 CA ILE A 43 -1.075 -5.810 0.261 1.00 0.00 C ATOM 678 C ILE A 43 0.140 -6.315 1.048 1.00 0.00 C ATOM 679 O ILE A 43 1.241 -6.362 0.536 1.00 0.00 O ATOM 680 CB ILE A 43 -1.261 -4.309 0.461 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.299 -3.989 1.954 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.572 -3.866 -0.188 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.373 -2.473 2.137 1.00 0.00 C ATOM 0 H ILE A 43 -2.764 -5.949 1.562 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.889 -6.068 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.428 -3.779 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.161 -4.467 2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.411 -4.385 2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.705 -2.794 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.544 -4.089 -1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.404 -4.399 0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.401 -2.236 3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.497 -2.009 1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.274 -2.092 1.657 1.00 0.00 H new ATOM 695 N ILE A 44 -0.040 -6.702 2.281 1.00 0.00 N ATOM 696 CA ILE A 44 1.123 -7.198 3.067 1.00 0.00 C ATOM 697 C ILE A 44 1.628 -8.494 2.440 1.00 0.00 C ATOM 698 O ILE A 44 2.815 -8.735 2.352 1.00 0.00 O ATOM 699 CB ILE A 44 0.592 -7.428 4.491 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.732 -7.223 5.491 1.00 0.00 C ATOM 701 CG2 ILE A 44 0.044 -8.849 4.640 1.00 0.00 C ATOM 702 CD1 ILE A 44 1.196 -6.525 6.742 1.00 0.00 C ATOM 0 H ILE A 44 -0.933 -6.696 2.774 1.00 0.00 H new ATOM 0 HA ILE A 44 1.959 -6.498 3.080 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.213 -6.719 4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.172 -8.184 5.758 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.523 -6.625 5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.327 -8.991 5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.770 -9.001 3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.838 -9.568 4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.009 -6.379 7.454 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.777 -5.557 6.467 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.420 -7.140 7.198 1.00 0.00 H new ATOM 714 N ASN A 45 0.730 -9.325 1.984 1.00 0.00 N ATOM 715 CA ASN A 45 1.170 -10.596 1.341 1.00 0.00 C ATOM 716 C ASN A 45 2.269 -10.293 0.316 1.00 0.00 C ATOM 717 O ASN A 45 3.072 -11.139 -0.021 1.00 0.00 O ATOM 718 CB ASN A 45 -0.077 -11.144 0.646 1.00 0.00 C ATOM 719 CG ASN A 45 -0.232 -12.631 0.969 1.00 0.00 C ATOM 720 OD1 ASN A 45 0.676 -13.407 0.754 1.00 0.00 O ATOM 721 ND2 ASN A 45 -1.352 -13.061 1.479 1.00 0.00 N ATOM 0 H ASN A 45 -0.279 -9.181 2.028 1.00 0.00 H new ATOM 0 HA ASN A 45 1.577 -11.311 2.056 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.960 -10.596 0.975 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.003 -11.002 -0.432 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.466 -14.051 1.698 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.114 -12.408 1.659 1.00 0.00 H new ATOM 728 N ASP A 46 2.305 -9.082 -0.175 1.00 0.00 N ATOM 729 CA ASP A 46 3.343 -8.699 -1.177 1.00 0.00 C ATOM 730 C ASP A 46 4.431 -7.856 -0.502 1.00 0.00 C ATOM 731 O ASP A 46 4.151 -7.090 0.400 1.00 0.00 O ATOM 732 CB ASP A 46 2.590 -7.875 -2.224 1.00 0.00 C ATOM 733 CG ASP A 46 3.512 -7.564 -3.403 1.00 0.00 C ATOM 734 OD1 ASP A 46 4.221 -6.576 -3.331 1.00 0.00 O ATOM 735 OD2 ASP A 46 3.493 -8.321 -4.360 1.00 0.00 O ATOM 0 H ASP A 46 1.655 -8.337 0.077 1.00 0.00 H new ATOM 0 HA ASP A 46 3.839 -9.562 -1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.715 -8.424 -2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.229 -6.948 -1.779 1.00 0.00 H new ATOM 740 N PRO A 47 5.643 -8.027 -0.960 1.00 0.00 N ATOM 741 CA PRO A 47 6.792 -7.277 -0.386 1.00 0.00 C ATOM 742 C PRO A 47 6.621 -5.769 -0.594 1.00 0.00 C ATOM 743 O PRO A 47 7.296 -4.970 0.024 1.00 0.00 O ATOM 744 CB PRO A 47 7.996 -7.822 -1.160 1.00 0.00 C ATOM 745 CG PRO A 47 7.413 -8.358 -2.425 1.00 0.00 C ATOM 746 CD PRO A 47 6.064 -8.910 -2.053 1.00 0.00 C ATOM 0 HA PRO A 47 6.895 -7.407 0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.727 -7.039 -1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.510 -8.602 -0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.321 -7.574 -3.176 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.049 -9.134 -2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.368 -8.877 -2.891 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.127 -9.950 -1.732 1.00 0.00 H new ATOM 754 N ARG A 48 5.717 -5.370 -1.446 1.00 0.00 N ATOM 755 CA ARG A 48 5.501 -3.915 -1.669 1.00 0.00 C ATOM 756 C ARG A 48 5.047 -3.254 -0.368 1.00 0.00 C ATOM 757 O ARG A 48 5.257 -2.077 -0.154 1.00 0.00 O ATOM 758 CB ARG A 48 4.424 -3.841 -2.744 1.00 0.00 C ATOM 759 CG ARG A 48 5.054 -4.187 -4.092 1.00 0.00 C ATOM 760 CD ARG A 48 5.152 -2.927 -4.947 1.00 0.00 C ATOM 761 NE ARG A 48 3.842 -2.855 -5.644 1.00 0.00 N ATOM 762 CZ ARG A 48 3.781 -2.448 -6.883 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.740 -1.714 -7.377 1.00 0.00 N ATOM 764 NH2 ARG A 48 2.763 -2.780 -7.630 1.00 0.00 N ATOM 0 H ARG A 48 5.120 -5.988 -1.996 1.00 0.00 H new ATOM 0 HA ARG A 48 6.405 -3.392 -1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.614 -4.534 -2.516 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.989 -2.842 -2.775 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.045 -4.616 -3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.454 -4.940 -4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.326 -2.043 -4.334 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.977 -2.990 -5.656 1.00 0.00 H new ATOM 0 HE ARG A 48 2.989 -3.124 -5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.538 -1.458 -6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.692 -1.396 -8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.015 -3.357 -7.246 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.715 -2.462 -8.598 1.00 0.00 H new ATOM 778 N TYR A 49 4.444 -4.006 0.510 1.00 0.00 N ATOM 779 CA TYR A 49 3.999 -3.420 1.806 1.00 0.00 C ATOM 780 C TYR A 49 5.219 -2.867 2.548 1.00 0.00 C ATOM 781 O TYR A 49 5.140 -1.892 3.276 1.00 0.00 O ATOM 782 CB TYR A 49 3.383 -4.593 2.570 1.00 0.00 C ATOM 783 CG TYR A 49 2.565 -4.077 3.726 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.382 -3.372 3.487 1.00 0.00 C ATOM 785 CD2 TYR A 49 2.981 -4.313 5.040 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.617 -2.905 4.554 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.214 -3.848 6.112 1.00 0.00 C ATOM 788 CZ TYR A 49 1.032 -3.143 5.869 1.00 0.00 C ATOM 789 OH TYR A 49 0.276 -2.686 6.926 1.00 0.00 O ATOM 0 H TYR A 49 4.240 -4.998 0.387 1.00 0.00 H new ATOM 0 HA TYR A 49 3.289 -2.601 1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.755 -5.183 1.903 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.169 -5.254 2.935 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.060 -3.189 2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.896 -4.855 5.227 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.296 -2.360 4.366 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.534 -4.033 7.127 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.541 -2.265 6.586 1.00 0.00 H new ATOM 799 N SER A 50 6.358 -3.470 2.342 1.00 0.00 N ATOM 800 CA SER A 50 7.585 -2.976 3.017 1.00 0.00 C ATOM 801 C SER A 50 7.993 -1.639 2.404 1.00 0.00 C ATOM 802 O SER A 50 8.889 -0.972 2.882 1.00 0.00 O ATOM 803 CB SER A 50 8.646 -4.041 2.746 1.00 0.00 C ATOM 804 OG SER A 50 9.427 -3.651 1.625 1.00 0.00 O ATOM 0 H SER A 50 6.489 -4.281 1.737 1.00 0.00 H new ATOM 0 HA SER A 50 7.445 -2.817 4.086 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.283 -4.167 3.621 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.171 -5.004 2.556 1.00 0.00 H new ATOM 0 HG SER A 50 10.110 -4.332 1.449 1.00 0.00 H new ATOM 810 N ALA A 51 7.318 -1.226 1.365 1.00 0.00 N ATOM 811 CA ALA A 51 7.647 0.083 0.750 1.00 0.00 C ATOM 812 C ALA A 51 7.420 1.170 1.797 1.00 0.00 C ATOM 813 O ALA A 51 7.953 2.257 1.711 1.00 0.00 O ATOM 814 CB ALA A 51 6.667 0.237 -0.414 1.00 0.00 C ATOM 0 H ALA A 51 6.557 -1.739 0.920 1.00 0.00 H new ATOM 0 HA ALA A 51 8.678 0.154 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.849 1.185 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.807 -0.583 -1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.645 0.219 -0.034 1.00 0.00 H new ATOM 820 N LEU A 52 6.635 0.871 2.803 1.00 0.00 N ATOM 821 CA LEU A 52 6.382 1.879 3.872 1.00 0.00 C ATOM 822 C LEU A 52 6.784 1.304 5.233 1.00 0.00 C ATOM 823 O LEU A 52 6.285 0.283 5.661 1.00 0.00 O ATOM 824 CB LEU A 52 4.878 2.155 3.823 1.00 0.00 C ATOM 825 CG LEU A 52 4.540 2.964 2.567 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.121 3.519 2.691 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.525 4.128 2.420 1.00 0.00 C ATOM 0 H LEU A 52 6.162 -0.024 2.928 1.00 0.00 H new ATOM 0 HA LEU A 52 6.959 2.792 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.326 1.215 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.570 2.703 4.714 1.00 0.00 H new ATOM 0 HG LEU A 52 4.610 2.318 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.877 4.096 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.416 2.695 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.058 4.163 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.281 4.701 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.457 4.775 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.539 3.738 2.335 1.00 0.00 H new ATOM 839 N ALA A 53 7.694 1.949 5.906 1.00 0.00 N ATOM 840 CA ALA A 53 8.144 1.442 7.235 1.00 0.00 C ATOM 841 C ALA A 53 7.109 1.763 8.314 1.00 0.00 C ATOM 842 O ALA A 53 6.875 0.983 9.216 1.00 0.00 O ATOM 843 CB ALA A 53 9.452 2.179 7.515 1.00 0.00 C ATOM 0 H ALA A 53 8.148 2.808 5.594 1.00 0.00 H new ATOM 0 HA ALA A 53 8.272 0.360 7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.850 1.861 8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.174 1.950 6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.267 3.253 7.535 1.00 0.00 H new ATOM 849 N LYS A 54 6.492 2.910 8.238 1.00 0.00 N ATOM 850 CA LYS A 54 5.480 3.279 9.268 1.00 0.00 C ATOM 851 C LYS A 54 4.077 2.858 8.819 1.00 0.00 C ATOM 852 O LYS A 54 3.693 3.036 7.680 1.00 0.00 O ATOM 853 CB LYS A 54 5.571 4.801 9.383 1.00 0.00 C ATOM 854 CG LYS A 54 6.140 5.177 10.754 1.00 0.00 C ATOM 855 CD LYS A 54 4.995 5.563 11.693 1.00 0.00 C ATOM 856 CE LYS A 54 5.566 5.991 13.048 1.00 0.00 C ATOM 857 NZ LYS A 54 5.216 7.433 13.174 1.00 0.00 N ATOM 0 H LYS A 54 6.644 3.607 7.509 1.00 0.00 H new ATOM 0 HA LYS A 54 5.666 2.783 10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.207 5.199 8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.584 5.246 9.253 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.699 4.339 11.170 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.839 6.008 10.654 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.413 6.376 11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.317 4.719 11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.134 5.407 13.861 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.645 5.842 13.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.574 7.799 14.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.647 7.964 12.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.182 7.544 13.141 1.00 0.00 H new ATOM 871 N LEU A 55 3.300 2.310 9.707 1.00 0.00 N ATOM 872 CA LEU A 55 1.927 1.899 9.319 1.00 0.00 C ATOM 873 C LEU A 55 1.072 3.144 9.079 1.00 0.00 C ATOM 874 O LEU A 55 0.173 3.144 8.261 1.00 0.00 O ATOM 875 CB LEU A 55 1.390 1.084 10.493 1.00 0.00 C ATOM 876 CG LEU A 55 0.375 0.068 9.969 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.753 0.807 9.248 1.00 0.00 C ATOM 878 CD2 LEU A 55 1.066 -0.881 8.986 1.00 0.00 C ATOM 0 H LEU A 55 3.554 2.130 10.678 1.00 0.00 H new ATOM 0 HA LEU A 55 1.912 1.313 8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.207 0.572 11.001 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.921 1.742 11.225 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.033 -0.503 10.803 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.479 0.086 8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.244 1.488 9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.341 1.375 8.414 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.344 -1.606 8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.471 -0.309 8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.876 -1.405 9.494 1.00 0.00 H new ATOM 890 N SER A 56 1.353 4.212 9.780 1.00 0.00 N ATOM 891 CA SER A 56 0.560 5.457 9.578 1.00 0.00 C ATOM 892 C SER A 56 0.669 5.895 8.118 1.00 0.00 C ATOM 893 O SER A 56 -0.313 6.233 7.487 1.00 0.00 O ATOM 894 CB SER A 56 1.200 6.493 10.501 1.00 0.00 C ATOM 895 OG SER A 56 1.387 5.922 11.789 1.00 0.00 O ATOM 0 H SER A 56 2.093 4.274 10.479 1.00 0.00 H new ATOM 0 HA SER A 56 -0.498 5.323 9.801 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.157 6.819 10.093 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.565 7.376 10.571 1.00 0.00 H new ATOM 0 HG SER A 56 1.799 6.583 12.383 1.00 0.00 H new ATOM 901 N GLU A 57 1.852 5.863 7.563 1.00 0.00 N ATOM 902 CA GLU A 57 2.001 6.248 6.133 1.00 0.00 C ATOM 903 C GLU A 57 1.368 5.155 5.273 1.00 0.00 C ATOM 904 O GLU A 57 0.767 5.422 4.252 1.00 0.00 O ATOM 905 CB GLU A 57 3.506 6.366 5.877 1.00 0.00 C ATOM 906 CG GLU A 57 4.207 5.071 6.280 1.00 0.00 C ATOM 907 CD GLU A 57 5.605 5.032 5.661 1.00 0.00 C ATOM 908 OE1 GLU A 57 5.960 5.985 4.987 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.296 4.049 5.869 1.00 0.00 O ATOM 0 H GLU A 57 2.714 5.589 8.035 1.00 0.00 H new ATOM 0 HA GLU A 57 1.509 7.190 5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.689 6.575 4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.915 7.202 6.444 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.277 5.006 7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.626 4.212 5.946 1.00 0.00 H new ATOM 916 N LYS A 58 1.476 3.921 5.698 1.00 0.00 N ATOM 917 CA LYS A 58 0.852 2.815 4.920 1.00 0.00 C ATOM 918 C LYS A 58 -0.648 3.085 4.798 1.00 0.00 C ATOM 919 O LYS A 58 -1.246 2.906 3.755 1.00 0.00 O ATOM 920 CB LYS A 58 1.089 1.554 5.754 1.00 0.00 C ATOM 921 CG LYS A 58 2.484 0.994 5.475 1.00 0.00 C ATOM 922 CD LYS A 58 2.647 -0.337 6.214 1.00 0.00 C ATOM 923 CE LYS A 58 3.857 -1.093 5.659 1.00 0.00 C ATOM 924 NZ LYS A 58 4.760 -1.283 6.828 1.00 0.00 N ATOM 0 H LYS A 58 1.967 3.636 6.545 1.00 0.00 H new ATOM 0 HA LYS A 58 1.266 2.718 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.987 1.785 6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.334 0.805 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.623 0.849 4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.246 1.702 5.803 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.777 -0.157 7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.746 -0.940 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.561 -2.050 5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.348 -0.526 4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.655 -0.780 6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.305 -0.905 7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.952 -2.297 6.957 1.00 0.00 H new ATOM 938 N LYS A 59 -1.256 3.527 5.868 1.00 0.00 N ATOM 939 CA LYS A 59 -2.714 3.826 5.834 1.00 0.00 C ATOM 940 C LYS A 59 -2.961 5.090 5.008 1.00 0.00 C ATOM 941 O LYS A 59 -3.950 5.204 4.311 1.00 0.00 O ATOM 942 CB LYS A 59 -3.107 4.054 7.293 1.00 0.00 C ATOM 943 CG LYS A 59 -2.950 2.749 8.077 1.00 0.00 C ATOM 944 CD LYS A 59 -4.213 2.498 8.905 1.00 0.00 C ATOM 945 CE LYS A 59 -3.845 2.417 10.388 1.00 0.00 C ATOM 946 NZ LYS A 59 -3.619 3.829 10.806 1.00 0.00 N ATOM 0 H LYS A 59 -0.802 3.694 6.766 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.295 3.023 5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.481 4.831 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.138 4.404 7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.780 1.918 7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.079 2.807 8.730 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.933 3.300 8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.691 1.571 8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.644 1.957 10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.951 1.812 10.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.694 3.908 11.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.637 4.446 9.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.368 4.120 11.466 1.00 0.00 H new ATOM 960 N GLN A 60 -2.063 6.036 5.073 1.00 0.00 N ATOM 961 CA GLN A 60 -2.247 7.283 4.280 1.00 0.00 C ATOM 962 C GLN A 60 -2.295 6.932 2.793 1.00 0.00 C ATOM 963 O GLN A 60 -3.096 7.455 2.045 1.00 0.00 O ATOM 964 CB GLN A 60 -1.020 8.141 4.592 1.00 0.00 C ATOM 965 CG GLN A 60 -1.116 8.673 6.024 1.00 0.00 C ATOM 966 CD GLN A 60 -1.489 10.156 5.993 1.00 0.00 C ATOM 967 OE1 GLN A 60 -1.258 10.832 5.011 1.00 0.00 O ATOM 968 NE2 GLN A 60 -2.061 10.694 7.036 1.00 0.00 N ATOM 0 H GLN A 60 -1.215 5.999 5.638 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.172 7.806 4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.111 7.551 4.473 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.956 8.971 3.888 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.864 8.111 6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.165 8.537 6.538 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.255 10.126 7.861 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.314 11.682 7.026 1.00 0.00 H new ATOM 977 N ALA A 61 -1.449 6.035 2.367 1.00 0.00 N ATOM 978 CA ALA A 61 -1.452 5.633 0.933 1.00 0.00 C ATOM 979 C ALA A 61 -2.695 4.793 0.637 1.00 0.00 C ATOM 980 O ALA A 61 -3.308 4.922 -0.404 1.00 0.00 O ATOM 981 CB ALA A 61 -0.182 4.801 0.750 1.00 0.00 C ATOM 0 H ALA A 61 -0.757 5.564 2.949 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.472 6.489 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.112 4.467 -0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.689 5.408 0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.217 3.934 1.410 1.00 0.00 H new ATOM 987 N PHE A 62 -3.079 3.937 1.547 1.00 0.00 N ATOM 988 CA PHE A 62 -4.289 3.102 1.308 1.00 0.00 C ATOM 989 C PHE A 62 -5.524 4.000 1.222 1.00 0.00 C ATOM 990 O PHE A 62 -6.353 3.851 0.346 1.00 0.00 O ATOM 991 CB PHE A 62 -4.389 2.172 2.517 1.00 0.00 C ATOM 992 CG PHE A 62 -5.751 1.520 2.526 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.392 1.231 1.316 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.373 1.206 3.739 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.651 0.630 1.315 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.637 0.601 3.741 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.275 0.314 2.528 1.00 0.00 C ATOM 0 H PHE A 62 -2.610 3.782 2.439 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.226 2.540 0.376 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.609 1.412 2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.235 2.734 3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.911 1.474 0.380 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.879 1.430 4.673 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.144 0.409 0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.118 0.357 4.676 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.249 -0.152 2.528 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.646 4.946 2.114 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.817 5.862 2.062 1.00 0.00 C ATOM 1009 C ASN A 63 -6.784 6.632 0.745 1.00 0.00 C ATOM 1010 O ASN A 63 -7.776 6.754 0.051 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.643 6.805 3.251 1.00 0.00 C ATOM 1012 CG ASN A 63 -7.609 7.982 3.113 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -8.805 7.821 3.250 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -7.137 9.168 2.843 1.00 0.00 N ATOM 0 H ASN A 63 -4.987 5.122 2.873 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.772 5.338 2.113 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.833 6.272 4.183 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.616 7.167 3.295 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.772 9.960 2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.133 9.303 2.728 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.635 7.133 0.385 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.517 7.873 -0.899 1.00 0.00 C ATOM 1023 C ALA A 64 -5.812 6.914 -2.051 1.00 0.00 C ATOM 1024 O ALA A 64 -6.374 7.288 -3.062 1.00 0.00 O ATOM 1025 CB ALA A 64 -4.069 8.358 -0.955 1.00 0.00 C ATOM 0 H ALA A 64 -4.773 7.061 0.926 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.214 8.708 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.907 8.914 -1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.869 9.006 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.397 7.501 -0.925 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.441 5.671 -1.896 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.705 4.675 -2.971 1.00 0.00 C ATOM 1033 C TYR A 65 -7.213 4.546 -3.194 1.00 0.00 C ATOM 1034 O TYR A 65 -7.684 4.511 -4.314 1.00 0.00 O ATOM 1035 CB TYR A 65 -5.127 3.360 -2.443 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.723 2.208 -3.216 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.098 1.757 -4.385 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.906 1.599 -2.772 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.651 0.697 -5.110 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.458 0.537 -3.498 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.832 0.086 -4.667 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.378 -0.959 -5.384 1.00 0.00 O ATOM 0 H TYR A 65 -4.967 5.304 -1.071 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.259 4.959 -3.924 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.042 3.359 -2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.347 3.253 -1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.188 2.228 -4.727 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.390 1.949 -1.872 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.168 0.349 -6.011 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.367 0.065 -3.156 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.349 -0.972 -5.255 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.974 4.485 -2.136 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.448 4.368 -2.295 1.00 0.00 C ATOM 1054 C LYS A 66 -9.998 5.647 -2.925 1.00 0.00 C ATOM 1055 O LYS A 66 -10.867 5.612 -3.773 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.990 4.194 -0.878 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.324 2.993 -0.208 1.00 0.00 C ATOM 1058 CD LYS A 66 -10.216 2.496 0.929 1.00 0.00 C ATOM 1059 CE LYS A 66 -10.270 3.553 2.035 1.00 0.00 C ATOM 1060 NZ LYS A 66 -11.062 2.926 3.129 1.00 0.00 N ATOM 0 H LYS A 66 -7.639 4.511 -1.173 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.734 3.537 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.803 5.096 -0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.070 4.052 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.164 2.197 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.344 3.273 0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.220 2.293 0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.828 1.558 1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.269 3.820 2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.742 4.470 1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.733 3.288 4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.068 3.158 3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.938 1.894 3.100 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.490 6.779 -2.519 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.977 8.062 -3.099 1.00 0.00 C ATOM 1076 C VAL A 67 -9.610 8.134 -4.584 1.00 0.00 C ATOM 1077 O VAL A 67 -10.225 8.844 -5.353 1.00 0.00 O ATOM 1078 CB VAL A 67 -9.251 9.154 -2.312 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -9.694 10.529 -2.819 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.597 9.025 -0.826 1.00 0.00 C ATOM 0 H VAL A 67 -8.760 6.870 -1.812 1.00 0.00 H new ATOM 0 HA VAL A 67 -11.060 8.166 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.175 9.045 -2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.177 11.308 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.451 10.622 -3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.770 10.638 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.080 9.803 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.673 9.134 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.284 8.046 -0.463 1.00 0.00 H new ATOM 1090 N GLN A 68 -8.611 7.398 -4.990 1.00 0.00 N ATOM 1091 CA GLN A 68 -8.202 7.417 -6.422 1.00 0.00 C ATOM 1092 C GLN A 68 -9.199 6.617 -7.265 1.00 0.00 C ATOM 1093 O GLN A 68 -9.392 6.880 -8.435 1.00 0.00 O ATOM 1094 CB GLN A 68 -6.822 6.756 -6.444 1.00 0.00 C ATOM 1095 CG GLN A 68 -6.474 6.342 -7.874 1.00 0.00 C ATOM 1096 CD GLN A 68 -4.978 6.033 -7.965 1.00 0.00 C ATOM 1097 OE1 GLN A 68 -4.398 6.091 -9.031 1.00 0.00 O ATOM 1098 NE2 GLN A 68 -4.326 5.705 -6.884 1.00 0.00 N ATOM 0 H GLN A 68 -8.060 6.784 -4.390 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.177 8.425 -6.835 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.071 7.447 -6.062 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.815 5.884 -5.790 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.055 5.466 -8.162 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.734 7.140 -8.569 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.813 5.657 -5.989 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.329 5.497 -6.933 1.00 0.00 H new ATOM 1107 N THR A 69 -9.837 5.642 -6.677 1.00 0.00 N ATOM 1108 CA THR A 69 -10.825 4.828 -7.441 1.00 0.00 C ATOM 1109 C THR A 69 -12.238 5.366 -7.209 1.00 0.00 C ATOM 1110 O THR A 69 -13.219 4.703 -7.481 1.00 0.00 O ATOM 1111 CB THR A 69 -10.691 3.412 -6.879 1.00 0.00 C ATOM 1112 OG1 THR A 69 -10.977 3.429 -5.487 1.00 0.00 O ATOM 1113 CG2 THR A 69 -9.265 2.905 -7.104 1.00 0.00 C ATOM 0 H THR A 69 -9.717 5.374 -5.700 1.00 0.00 H new ATOM 0 HA THR A 69 -10.644 4.857 -8.516 1.00 0.00 H new ATOM 0 HB THR A 69 -11.393 2.750 -7.386 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.010 4.356 -5.171 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.170 1.896 -6.703 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.047 2.893 -8.172 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.560 3.564 -6.597 1.00 0.00 H new ATOM 1121 N GLU A 70 -12.349 6.565 -6.706 1.00 0.00 N ATOM 1122 CA GLU A 70 -13.698 7.147 -6.452 1.00 0.00 C ATOM 1123 C GLU A 70 -14.554 6.160 -5.653 1.00 0.00 C ATOM 1124 O GLU A 70 -14.048 5.237 -5.046 1.00 0.00 O ATOM 1125 CB GLU A 70 -14.295 7.381 -7.840 1.00 0.00 C ATOM 1126 CG GLU A 70 -14.293 8.881 -8.146 1.00 0.00 C ATOM 1127 CD GLU A 70 -15.678 9.463 -7.858 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -16.063 9.479 -6.701 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -16.329 9.886 -8.799 1.00 0.00 O ATOM 0 H GLU A 70 -11.564 7.167 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.651 8.068 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.717 6.844 -8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.312 6.991 -7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.541 9.386 -7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.026 9.050 -9.189 1.00 0.00 H new ATOM 1136 N LYS A 71 -15.846 6.346 -5.645 1.00 0.00 N ATOM 1137 CA LYS A 71 -16.728 5.417 -4.880 1.00 0.00 C ATOM 1138 C LYS A 71 -16.899 4.101 -5.645 1.00 0.00 C ATOM 1139 O LYS A 71 -17.297 4.155 -6.797 1.00 0.00 O ATOM 1140 CB LYS A 71 -18.066 6.147 -4.764 1.00 0.00 C ATOM 1141 CG LYS A 71 -18.181 6.788 -3.381 1.00 0.00 C ATOM 1142 CD LYS A 71 -19.312 7.818 -3.393 1.00 0.00 C ATOM 1143 CE LYS A 71 -18.803 9.129 -3.997 1.00 0.00 C ATOM 1144 NZ LYS A 71 -19.556 10.199 -3.287 1.00 0.00 N ATOM 1145 OXT LYS A 71 -16.631 3.062 -5.064 1.00 0.00 O ATOM 0 H LYS A 71 -16.329 7.100 -6.134 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.315 5.165 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -18.144 6.911 -5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.888 5.449 -4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -18.378 6.024 -2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.240 7.267 -3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -20.155 7.441 -3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -19.673 7.989 -2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.728 9.240 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -18.984 9.165 -5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -19.261 11.129 -3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -20.575 10.072 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -19.358 10.144 -2.267 1.00 0.00 H new TER 1159 LYS A 71