USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 827 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 2 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.6) USER MOD Single : A 6 THR OG1 : rot 43:sc= 1.86 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -110:sc= 0.725 (180deg=-0.928) USER MOD Single : A 10 LYS NZ :NH3+ -156:sc= 0.103 (180deg=-0.0727) USER MOD Single : A 11 HIS : no HD1:sc= -2.15 K(o=-2.2,f=-2.9!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.578 USER MOD Single : A 22 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.9!) USER MOD Single : A 24 MET CE :methyl -140:sc= -0.439 (180deg=-1.7!) USER MOD Single : A 26 THR OG1 : rot 79:sc= 0.234 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -150:sc= 0.259 (180deg=-0.454) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -6.32 K(o=-6.3,f=-12!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.263 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 37:sc= 0.704 USER MOD Single : A 60 SER OG : rot 81:sc= -2.54 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.748 K(o=-0.75,f=-0.021) USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.356) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0609) USER MOD Single : A 79 TYR OH : rot -110:sc= -1.13 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0314) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -1.59 K(o=-1.6,f=-0.28) USER MOD Single : A 89 CYS SG : rot 180:sc= -1.56 USER MOD Single : A 94 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.05) USER MOD Single : A 99 HIS : no HD1:sc= -1.01 K(o=-1,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -6.828 11.897 1.995 1.00 0.00 N ATOM 21 CA GLN A 2 -6.204 10.752 1.260 1.00 0.00 C ATOM 22 C GLN A 2 -7.235 10.127 0.315 1.00 0.00 C ATOM 23 O GLN A 2 -8.385 9.944 0.680 1.00 0.00 O ATOM 24 CB GLN A 2 -5.724 9.703 2.265 1.00 0.00 C ATOM 25 CG GLN A 2 -4.601 10.295 3.121 1.00 0.00 C ATOM 26 CD GLN A 2 -3.302 10.321 2.313 1.00 0.00 C ATOM 27 OE1 GLN A 2 -2.956 9.353 1.666 1.00 0.00 O ATOM 28 NE2 GLN A 2 -2.560 11.395 2.326 1.00 0.00 N ATOM 0 HA GLN A 2 -5.355 11.112 0.679 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.552 9.386 2.900 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.367 8.817 1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.865 11.304 3.438 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.467 9.701 4.025 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.850 12.208 2.869 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.691 11.421 1.793 1.00 0.00 H new ATOM 37 N ASP A 3 -6.822 9.807 -0.896 1.00 0.00 N ATOM 38 CA ASP A 3 -7.753 9.194 -1.897 1.00 0.00 C ATOM 39 C ASP A 3 -7.103 7.957 -2.525 1.00 0.00 C ATOM 40 O ASP A 3 -6.071 7.495 -2.068 1.00 0.00 O ATOM 41 CB ASP A 3 -8.061 10.219 -2.990 1.00 0.00 C ATOM 42 CG ASP A 3 -8.692 11.463 -2.362 1.00 0.00 C ATOM 43 OD1 ASP A 3 -9.804 11.354 -1.872 1.00 0.00 O ATOM 44 OD2 ASP A 3 -8.053 12.502 -2.381 1.00 0.00 O ATOM 0 H ASP A 3 -5.869 9.948 -1.232 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.676 8.897 -1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.146 10.489 -3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.738 9.788 -3.727 1.00 0.00 H new ATOM 49 N TRP A 4 -7.708 7.426 -3.571 1.00 0.00 N ATOM 50 CA TRP A 4 -7.154 6.213 -4.263 1.00 0.00 C ATOM 51 C TRP A 4 -5.721 6.494 -4.724 1.00 0.00 C ATOM 52 O TRP A 4 -4.804 5.780 -4.377 1.00 0.00 O ATOM 53 CB TRP A 4 -8.024 5.891 -5.494 1.00 0.00 C ATOM 54 CG TRP A 4 -8.344 4.424 -5.552 1.00 0.00 C ATOM 55 CD1 TRP A 4 -9.596 3.911 -5.612 1.00 0.00 C ATOM 56 CD2 TRP A 4 -7.436 3.278 -5.575 1.00 0.00 C ATOM 57 NE1 TRP A 4 -9.517 2.534 -5.649 1.00 0.00 N ATOM 58 CE2 TRP A 4 -8.209 2.094 -5.629 1.00 0.00 C ATOM 59 CE3 TRP A 4 -6.035 3.149 -5.548 1.00 0.00 C ATOM 60 CZ2 TRP A 4 -7.616 0.831 -5.655 1.00 0.00 C ATOM 61 CZ3 TRP A 4 -5.435 1.879 -5.575 1.00 0.00 C ATOM 62 CH2 TRP A 4 -6.225 0.723 -5.627 1.00 0.00 C ATOM 0 H TRP A 4 -8.571 7.788 -3.977 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.157 5.369 -3.573 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -8.948 6.468 -5.453 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.501 6.190 -6.403 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -10.509 4.487 -5.628 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -10.327 1.916 -5.687 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.416 4.033 -5.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -8.229 -0.057 -5.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -4.359 1.793 -5.556 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -5.758 -0.251 -5.645 1.00 0.00 H new ATOM 73 N ALA A 5 -5.545 7.529 -5.517 1.00 0.00 N ATOM 74 CA ALA A 5 -4.191 7.904 -6.063 1.00 0.00 C ATOM 75 C ALA A 5 -3.091 7.788 -4.997 1.00 0.00 C ATOM 76 O ALA A 5 -1.997 7.323 -5.286 1.00 0.00 O ATOM 77 CB ALA A 5 -4.245 9.343 -6.582 1.00 0.00 C ATOM 0 H ALA A 5 -6.300 8.145 -5.817 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.947 7.212 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.269 9.623 -6.979 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.993 9.417 -7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.511 10.014 -5.766 1.00 0.00 H new ATOM 83 N THR A 6 -3.378 8.193 -3.777 1.00 0.00 N ATOM 84 CA THR A 6 -2.357 8.104 -2.686 1.00 0.00 C ATOM 85 C THR A 6 -2.194 6.642 -2.279 1.00 0.00 C ATOM 86 O THR A 6 -1.086 6.147 -2.163 1.00 0.00 O ATOM 87 CB THR A 6 -2.793 8.936 -1.470 1.00 0.00 C ATOM 88 OG1 THR A 6 -4.213 9.009 -1.409 1.00 0.00 O ATOM 89 CG2 THR A 6 -2.212 10.347 -1.580 1.00 0.00 C ATOM 0 H THR A 6 -4.278 8.581 -3.493 1.00 0.00 H new ATOM 0 HA THR A 6 -1.408 8.498 -3.050 1.00 0.00 H new ATOM 0 HB THR A 6 -2.423 8.458 -0.563 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.594 8.126 -1.597 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.522 10.936 -0.717 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.124 10.291 -1.609 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.576 10.820 -2.492 1.00 0.00 H new ATOM 97 N PHE A 7 -3.297 5.957 -2.078 1.00 0.00 N ATOM 98 CA PHE A 7 -3.253 4.512 -1.689 1.00 0.00 C ATOM 99 C PHE A 7 -2.607 3.701 -2.819 1.00 0.00 C ATOM 100 O PHE A 7 -2.001 2.671 -2.578 1.00 0.00 O ATOM 101 CB PHE A 7 -4.685 4.019 -1.457 1.00 0.00 C ATOM 102 CG PHE A 7 -4.671 2.582 -0.991 1.00 0.00 C ATOM 103 CD1 PHE A 7 -4.120 2.251 0.252 1.00 0.00 C ATOM 104 CD2 PHE A 7 -5.208 1.579 -1.808 1.00 0.00 C ATOM 105 CE1 PHE A 7 -4.109 0.918 0.680 1.00 0.00 C ATOM 106 CE2 PHE A 7 -5.197 0.247 -1.381 1.00 0.00 C ATOM 107 CZ PHE A 7 -4.646 -0.085 -0.137 1.00 0.00 C ATOM 0 H PHE A 7 -4.236 6.344 -2.169 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.668 4.388 -0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.177 4.646 -0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.261 4.105 -2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.703 3.024 0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.631 1.834 -2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.686 0.663 1.641 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.613 -0.525 -2.011 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.635 -1.114 0.192 1.00 0.00 H new ATOM 117 N LYS A 8 -2.741 4.165 -4.047 1.00 0.00 N ATOM 118 CA LYS A 8 -2.151 3.441 -5.213 1.00 0.00 C ATOM 119 C LYS A 8 -0.627 3.461 -5.109 1.00 0.00 C ATOM 120 O LYS A 8 0.024 2.432 -5.220 1.00 0.00 O ATOM 121 CB LYS A 8 -2.581 4.123 -6.514 1.00 0.00 C ATOM 122 CG LYS A 8 -2.650 3.082 -7.634 1.00 0.00 C ATOM 123 CD LYS A 8 -3.797 3.428 -8.590 1.00 0.00 C ATOM 124 CE LYS A 8 -3.240 4.156 -9.816 1.00 0.00 C ATOM 125 NZ LYS A 8 -4.368 4.695 -10.628 1.00 0.00 N ATOM 0 H LYS A 8 -3.240 5.022 -4.286 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.503 2.409 -5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.553 4.599 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.874 4.910 -6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.706 3.056 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.803 2.089 -7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.314 2.519 -8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.530 4.056 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.583 4.967 -9.503 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.639 3.473 -10.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.991 5.190 -11.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.978 3.912 -10.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.923 5.360 -10.053 1.00 0.00 H new ATOM 139 N LYS A 9 -0.066 4.630 -4.889 1.00 0.00 N ATOM 140 CA LYS A 9 1.421 4.764 -4.768 1.00 0.00 C ATOM 141 C LYS A 9 1.869 4.293 -3.378 1.00 0.00 C ATOM 142 O LYS A 9 3.032 3.986 -3.168 1.00 0.00 O ATOM 143 CB LYS A 9 1.830 6.233 -4.951 1.00 0.00 C ATOM 144 CG LYS A 9 1.162 6.832 -6.197 1.00 0.00 C ATOM 145 CD LYS A 9 0.919 8.325 -5.966 1.00 0.00 C ATOM 146 CE LYS A 9 0.494 8.989 -7.276 1.00 0.00 C ATOM 147 NZ LYS A 9 -0.933 8.668 -7.558 1.00 0.00 N ATOM 0 H LYS A 9 -0.582 5.504 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 9 1.894 4.154 -5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.546 6.807 -4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.914 6.305 -5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.796 6.685 -7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.219 6.324 -6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.147 8.464 -5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.826 8.796 -5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.628 10.069 -7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.124 8.640 -8.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.989 8.022 -8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.358 8.213 -6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.450 9.544 -7.775 1.00 0.00 H new ATOM 161 N LYS A 10 0.954 4.260 -2.429 1.00 0.00 N ATOM 162 CA LYS A 10 1.294 3.842 -1.037 1.00 0.00 C ATOM 163 C LYS A 10 1.301 2.318 -0.880 1.00 0.00 C ATOM 164 O LYS A 10 2.291 1.757 -0.448 1.00 0.00 O ATOM 165 CB LYS A 10 0.266 4.443 -0.074 1.00 0.00 C ATOM 166 CG LYS A 10 0.799 5.768 0.482 1.00 0.00 C ATOM 167 CD LYS A 10 0.199 6.028 1.867 1.00 0.00 C ATOM 168 CE LYS A 10 1.176 6.864 2.697 1.00 0.00 C ATOM 169 NZ LYS A 10 2.280 5.993 3.192 1.00 0.00 N ATOM 0 H LYS A 10 -0.025 4.510 -2.569 1.00 0.00 H new ATOM 0 HA LYS A 10 2.297 4.203 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.679 4.607 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.067 3.748 0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.887 5.734 0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.545 6.585 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.753 6.551 1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.006 5.083 2.370 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.582 7.675 2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.656 7.323 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.698 6.414 4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.903 5.051 3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.010 5.906 2.456 1.00 0.00 H new ATOM 183 N HIS A 11 0.199 1.651 -1.174 1.00 0.00 N ATOM 184 CA HIS A 11 0.146 0.159 -0.969 1.00 0.00 C ATOM 185 C HIS A 11 -0.138 -0.611 -2.269 1.00 0.00 C ATOM 186 O HIS A 11 -0.580 -1.751 -2.217 1.00 0.00 O ATOM 187 CB HIS A 11 -0.945 -0.155 0.062 1.00 0.00 C ATOM 188 CG HIS A 11 -0.588 0.481 1.378 1.00 0.00 C ATOM 189 ND1 HIS A 11 -0.940 1.785 1.688 1.00 0.00 N ATOM 190 CD2 HIS A 11 0.093 0.007 2.472 1.00 0.00 C ATOM 191 CE1 HIS A 11 -0.474 2.049 2.922 1.00 0.00 C ATOM 192 NE2 HIS A 11 0.164 0.998 3.445 1.00 0.00 N ATOM 0 H HIS A 11 -0.655 2.070 -1.542 1.00 0.00 H new ATOM 0 HA HIS A 11 1.126 -0.165 -0.617 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.908 0.219 -0.286 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.047 -1.233 0.183 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.510 -0.985 2.563 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.600 2.995 3.428 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.608 0.936 4.361 1.00 0.00 H new ATOM 200 N LEU A 12 0.120 -0.028 -3.424 1.00 0.00 N ATOM 201 CA LEU A 12 -0.132 -0.768 -4.706 1.00 0.00 C ATOM 202 C LEU A 12 1.013 -0.545 -5.692 1.00 0.00 C ATOM 203 O LEU A 12 1.639 0.502 -5.709 1.00 0.00 O ATOM 204 CB LEU A 12 -1.443 -0.295 -5.330 1.00 0.00 C ATOM 205 CG LEU A 12 -2.611 -1.111 -4.757 1.00 0.00 C ATOM 206 CD1 LEU A 12 -3.370 -0.275 -3.723 1.00 0.00 C ATOM 207 CD2 LEU A 12 -3.568 -1.504 -5.886 1.00 0.00 C ATOM 0 H LEU A 12 0.490 0.917 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.198 -1.832 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.593 0.765 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.404 -0.409 -6.413 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.217 -2.009 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.198 -0.859 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.695 0.004 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.759 0.626 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.396 -2.083 -5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.956 -0.604 -6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.035 -2.105 -6.623 1.00 0.00 H new ATOM 219 N THR A 13 1.273 -1.538 -6.516 1.00 0.00 N ATOM 220 CA THR A 13 2.366 -1.443 -7.533 1.00 0.00 C ATOM 221 C THR A 13 2.025 -2.341 -8.727 1.00 0.00 C ATOM 222 O THR A 13 1.145 -3.184 -8.643 1.00 0.00 O ATOM 223 CB THR A 13 3.689 -1.899 -6.913 1.00 0.00 C ATOM 224 OG1 THR A 13 3.468 -3.065 -6.132 1.00 0.00 O ATOM 225 CG2 THR A 13 4.253 -0.787 -6.027 1.00 0.00 C ATOM 0 H THR A 13 0.764 -2.422 -6.524 1.00 0.00 H new ATOM 0 HA THR A 13 2.463 -0.410 -7.866 1.00 0.00 H new ATOM 0 HB THR A 13 4.402 -2.123 -7.706 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.315 -3.359 -5.736 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.195 -1.115 -5.587 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.425 0.106 -6.628 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.542 -0.558 -5.233 1.00 0.00 H new ATOM 233 N ASP A 14 2.719 -2.162 -9.831 1.00 0.00 N ATOM 234 CA ASP A 14 2.460 -2.990 -11.051 1.00 0.00 C ATOM 235 C ASP A 14 3.692 -3.853 -11.360 1.00 0.00 C ATOM 236 O ASP A 14 3.922 -4.239 -12.497 1.00 0.00 O ATOM 237 CB ASP A 14 2.165 -2.061 -12.233 1.00 0.00 C ATOM 238 CG ASP A 14 0.871 -1.289 -11.967 1.00 0.00 C ATOM 239 OD1 ASP A 14 -0.181 -1.796 -12.320 1.00 0.00 O ATOM 240 OD2 ASP A 14 0.955 -0.204 -11.416 1.00 0.00 O ATOM 0 H ASP A 14 3.461 -1.470 -9.936 1.00 0.00 H new ATOM 0 HA ASP A 14 1.604 -3.643 -10.879 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.992 -1.366 -12.378 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.072 -2.642 -13.151 1.00 0.00 H new ATOM 245 N THR A 15 4.481 -4.155 -10.348 1.00 0.00 N ATOM 246 CA THR A 15 5.708 -4.988 -10.545 1.00 0.00 C ATOM 247 C THR A 15 6.099 -5.632 -9.212 1.00 0.00 C ATOM 248 O THR A 15 6.034 -4.995 -8.172 1.00 0.00 O ATOM 249 CB THR A 15 6.848 -4.090 -11.037 1.00 0.00 C ATOM 250 OG1 THR A 15 6.352 -3.195 -12.024 1.00 0.00 O ATOM 251 CG2 THR A 15 7.959 -4.947 -11.641 1.00 0.00 C ATOM 0 H THR A 15 4.321 -3.854 -9.387 1.00 0.00 H new ATOM 0 HA THR A 15 5.514 -5.768 -11.281 1.00 0.00 H new ATOM 0 HB THR A 15 7.248 -3.524 -10.196 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.080 -2.619 -12.339 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.767 -4.303 -11.989 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.342 -5.632 -10.885 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.563 -5.518 -12.481 1.00 0.00 H new ATOM 259 N TRP A 16 6.504 -6.885 -9.243 1.00 0.00 N ATOM 260 CA TRP A 16 6.910 -7.598 -7.990 1.00 0.00 C ATOM 261 C TRP A 16 8.172 -6.939 -7.433 1.00 0.00 C ATOM 262 O TRP A 16 8.358 -6.854 -6.230 1.00 0.00 O ATOM 263 CB TRP A 16 7.191 -9.069 -8.316 1.00 0.00 C ATOM 264 CG TRP A 16 7.483 -9.843 -7.062 1.00 0.00 C ATOM 265 CD1 TRP A 16 6.893 -9.647 -5.856 1.00 0.00 C ATOM 266 CD2 TRP A 16 8.424 -10.941 -6.878 1.00 0.00 C ATOM 267 NE1 TRP A 16 7.417 -10.551 -4.948 1.00 0.00 N ATOM 268 CE2 TRP A 16 8.364 -11.369 -5.531 1.00 0.00 C ATOM 269 CE3 TRP A 16 9.318 -11.597 -7.744 1.00 0.00 C ATOM 270 CZ2 TRP A 16 9.160 -12.414 -5.061 1.00 0.00 C ATOM 271 CZ3 TRP A 16 10.121 -12.649 -7.272 1.00 0.00 C ATOM 272 CH2 TRP A 16 10.042 -13.056 -5.932 1.00 0.00 C ATOM 0 H TRP A 16 6.570 -7.446 -10.092 1.00 0.00 H new ATOM 0 HA TRP A 16 6.112 -7.541 -7.249 1.00 0.00 H new ATOM 0 HB2 TRP A 16 6.332 -9.504 -8.827 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.037 -9.140 -8.999 1.00 0.00 H new ATOM 0 HD1 TRP A 16 6.137 -8.906 -5.640 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.138 -10.606 -3.969 1.00 0.00 H new ATOM 0 HE3 TRP A 16 9.387 -11.290 -8.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 9.094 -12.725 -4.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 10.803 -13.147 -7.945 1.00 0.00 H new ATOM 0 HH2 TRP A 16 10.662 -13.865 -5.575 1.00 0.00 H new ATOM 283 N ASP A 17 9.026 -6.466 -8.313 1.00 0.00 N ATOM 284 CA ASP A 17 10.290 -5.789 -7.886 1.00 0.00 C ATOM 285 C ASP A 17 10.122 -4.278 -8.060 1.00 0.00 C ATOM 286 O ASP A 17 10.110 -3.777 -9.173 1.00 0.00 O ATOM 287 CB ASP A 17 11.446 -6.281 -8.761 1.00 0.00 C ATOM 288 CG ASP A 17 12.051 -7.546 -8.149 1.00 0.00 C ATOM 289 OD1 ASP A 17 12.810 -7.418 -7.204 1.00 0.00 O ATOM 290 OD2 ASP A 17 11.745 -8.621 -8.638 1.00 0.00 O ATOM 0 H ASP A 17 8.896 -6.523 -9.323 1.00 0.00 H new ATOM 0 HA ASP A 17 10.505 -6.019 -6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.089 -6.488 -9.770 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.207 -5.506 -8.845 1.00 0.00 H new ATOM 295 N VAL A 18 9.980 -3.558 -6.965 1.00 0.00 N ATOM 296 CA VAL A 18 9.794 -2.075 -7.036 1.00 0.00 C ATOM 297 C VAL A 18 11.080 -1.367 -6.594 1.00 0.00 C ATOM 298 O VAL A 18 11.934 -1.957 -5.954 1.00 0.00 O ATOM 299 CB VAL A 18 8.635 -1.675 -6.115 1.00 0.00 C ATOM 300 CG1 VAL A 18 8.416 -0.159 -6.166 1.00 0.00 C ATOM 301 CG2 VAL A 18 7.359 -2.382 -6.574 1.00 0.00 C ATOM 0 H VAL A 18 9.986 -3.942 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 18 9.567 -1.781 -8.061 1.00 0.00 H new ATOM 0 HB VAL A 18 8.877 -1.966 -5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.590 0.112 -5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.322 0.351 -5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.179 0.140 -7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.532 -2.100 -5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.129 -2.089 -7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.505 -3.461 -6.529 1.00 0.00 H new ATOM 311 N ASP A 19 11.202 -0.103 -6.938 1.00 0.00 N ATOM 312 CA ASP A 19 12.410 0.695 -6.557 1.00 0.00 C ATOM 313 C ASP A 19 12.079 1.560 -5.335 1.00 0.00 C ATOM 314 O ASP A 19 11.523 2.641 -5.455 1.00 0.00 O ATOM 315 CB ASP A 19 12.824 1.589 -7.731 1.00 0.00 C ATOM 316 CG ASP A 19 13.635 0.770 -8.737 1.00 0.00 C ATOM 317 OD1 ASP A 19 14.613 0.166 -8.327 1.00 0.00 O ATOM 318 OD2 ASP A 19 13.265 0.761 -9.898 1.00 0.00 O ATOM 0 H ASP A 19 10.505 0.414 -7.474 1.00 0.00 H new ATOM 0 HA ASP A 19 13.233 0.023 -6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.940 2.005 -8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.416 2.430 -7.370 1.00 0.00 H new ATOM 323 N CYS A 20 12.413 1.071 -4.160 1.00 0.00 N ATOM 324 CA CYS A 20 12.134 1.817 -2.890 1.00 0.00 C ATOM 325 C CYS A 20 12.755 3.216 -2.944 1.00 0.00 C ATOM 326 O CYS A 20 12.123 4.195 -2.587 1.00 0.00 O ATOM 327 CB CYS A 20 12.752 1.054 -1.718 1.00 0.00 C ATOM 328 SG CYS A 20 12.058 -0.616 -1.636 1.00 0.00 S ATOM 0 H CYS A 20 12.875 0.171 -4.028 1.00 0.00 H new ATOM 0 HA CYS A 20 11.055 1.907 -2.764 1.00 0.00 H new ATOM 0 HB2 CYS A 20 13.834 1.002 -1.837 1.00 0.00 H new ATOM 0 HB3 CYS A 20 12.559 1.584 -0.785 1.00 0.00 H new ATOM 333 N ASP A 21 13.997 3.296 -3.369 1.00 0.00 N ATOM 334 CA ASP A 21 14.722 4.609 -3.440 1.00 0.00 C ATOM 335 C ASP A 21 14.082 5.563 -4.463 1.00 0.00 C ATOM 336 O ASP A 21 14.442 6.726 -4.515 1.00 0.00 O ATOM 337 CB ASP A 21 16.178 4.351 -3.842 1.00 0.00 C ATOM 338 CG ASP A 21 16.215 3.578 -5.163 1.00 0.00 C ATOM 339 OD1 ASP A 21 16.046 4.203 -6.197 1.00 0.00 O ATOM 340 OD2 ASP A 21 16.416 2.375 -5.117 1.00 0.00 O ATOM 0 H ASP A 21 14.547 2.493 -3.675 1.00 0.00 H new ATOM 0 HA ASP A 21 14.665 5.080 -2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.710 5.296 -3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.686 3.784 -3.062 1.00 0.00 H new ATOM 345 N ASN A 22 13.158 5.087 -5.278 1.00 0.00 N ATOM 346 CA ASN A 22 12.512 5.972 -6.304 1.00 0.00 C ATOM 347 C ASN A 22 11.215 6.575 -5.745 1.00 0.00 C ATOM 348 O ASN A 22 10.795 7.642 -6.166 1.00 0.00 O ATOM 349 CB ASN A 22 12.192 5.144 -7.552 1.00 0.00 C ATOM 350 CG ASN A 22 11.616 6.050 -8.644 1.00 0.00 C ATOM 351 OD1 ASN A 22 10.465 6.435 -8.586 1.00 0.00 O ATOM 352 ND2 ASN A 22 12.372 6.409 -9.644 1.00 0.00 N ATOM 0 H ASN A 22 12.826 4.123 -5.273 1.00 0.00 H new ATOM 0 HA ASN A 22 13.196 6.781 -6.559 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.095 4.652 -7.914 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.478 4.358 -7.305 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.997 7.012 -10.376 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.338 6.087 -9.694 1.00 0.00 H new ATOM 359 N LEU A 23 10.577 5.887 -4.825 1.00 0.00 N ATOM 360 CA LEU A 23 9.289 6.383 -4.241 1.00 0.00 C ATOM 361 C LEU A 23 9.530 7.086 -2.905 1.00 0.00 C ATOM 362 O LEU A 23 8.728 7.908 -2.491 1.00 0.00 O ATOM 363 CB LEU A 23 8.358 5.189 -4.015 1.00 0.00 C ATOM 364 CG LEU A 23 7.645 4.836 -5.321 1.00 0.00 C ATOM 365 CD1 LEU A 23 8.669 4.365 -6.357 1.00 0.00 C ATOM 366 CD2 LEU A 23 6.637 3.716 -5.059 1.00 0.00 C ATOM 0 H LEU A 23 10.898 4.994 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 23 8.841 7.096 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.930 4.332 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.626 5.427 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 23 7.127 5.717 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.157 4.114 -7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.391 5.161 -6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.189 3.484 -5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.126 3.461 -5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.159 2.838 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.906 4.050 -4.323 1.00 0.00 H new ATOM 378 N MET A 24 10.605 6.755 -2.221 1.00 0.00 N ATOM 379 CA MET A 24 10.879 7.383 -0.886 1.00 0.00 C ATOM 380 C MET A 24 11.372 8.855 -0.957 1.00 0.00 C ATOM 381 O MET A 24 11.120 9.575 -0.013 1.00 0.00 O ATOM 382 CB MET A 24 11.868 6.530 -0.062 1.00 0.00 C ATOM 383 CG MET A 24 13.184 6.279 -0.811 1.00 0.00 C ATOM 384 SD MET A 24 14.289 7.703 -0.626 1.00 0.00 S ATOM 385 CE MET A 24 15.850 6.793 -0.722 1.00 0.00 C ATOM 0 H MET A 24 11.302 6.078 -2.530 1.00 0.00 H new ATOM 0 HA MET A 24 9.912 7.413 -0.385 1.00 0.00 H new ATOM 0 HB2 MET A 24 12.080 7.033 0.882 1.00 0.00 H new ATOM 0 HB3 MET A 24 11.404 5.575 0.183 1.00 0.00 H new ATOM 0 HG2 MET A 24 13.667 5.382 -0.423 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.982 6.101 -1.867 1.00 0.00 H new ATOM 0 HE1 MET A 24 16.555 7.203 0.001 1.00 0.00 H new ATOM 0 HE2 MET A 24 15.672 5.741 -0.499 1.00 0.00 H new ATOM 0 HE3 MET A 24 16.264 6.886 -1.726 1.00 0.00 H new ATOM 395 N PRO A 25 12.069 9.293 -2.014 1.00 0.00 N ATOM 396 CA PRO A 25 12.573 10.688 -2.074 1.00 0.00 C ATOM 397 C PRO A 25 11.480 11.695 -2.472 1.00 0.00 C ATOM 398 O PRO A 25 11.775 12.863 -2.673 1.00 0.00 O ATOM 399 CB PRO A 25 13.654 10.644 -3.153 1.00 0.00 C ATOM 400 CG PRO A 25 13.328 9.427 -4.045 1.00 0.00 C ATOM 401 CD PRO A 25 12.422 8.496 -3.215 1.00 0.00 C ATOM 0 HA PRO A 25 12.934 11.019 -1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.658 11.564 -3.737 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.644 10.545 -2.708 1.00 0.00 H new ATOM 0 HG2 PRO A 25 12.825 9.742 -4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.241 8.912 -4.345 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.532 8.206 -3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.941 7.577 -2.943 1.00 0.00 H new ATOM 409 N THR A 26 10.239 11.263 -2.594 1.00 0.00 N ATOM 410 CA THR A 26 9.142 12.209 -2.991 1.00 0.00 C ATOM 411 C THR A 26 8.462 12.770 -1.740 1.00 0.00 C ATOM 412 O THR A 26 8.832 12.450 -0.624 1.00 0.00 O ATOM 413 CB THR A 26 8.088 11.493 -3.857 1.00 0.00 C ATOM 414 OG1 THR A 26 8.645 10.325 -4.452 1.00 0.00 O ATOM 415 CG2 THR A 26 7.600 12.437 -4.960 1.00 0.00 C ATOM 0 H THR A 26 9.942 10.300 -2.436 1.00 0.00 H new ATOM 0 HA THR A 26 9.585 13.020 -3.570 1.00 0.00 H new ATOM 0 HB THR A 26 7.252 11.204 -3.220 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.666 9.600 -3.793 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.855 11.928 -5.571 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.155 13.324 -4.509 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.442 12.732 -5.586 1.00 0.00 H new ATOM 423 N SER A 27 7.464 13.602 -1.941 1.00 0.00 N ATOM 424 CA SER A 27 6.713 14.213 -0.800 1.00 0.00 C ATOM 425 C SER A 27 5.628 13.247 -0.295 1.00 0.00 C ATOM 426 O SER A 27 5.057 13.460 0.762 1.00 0.00 O ATOM 427 CB SER A 27 6.059 15.514 -1.265 1.00 0.00 C ATOM 428 OG SER A 27 7.047 16.348 -1.859 1.00 0.00 O ATOM 0 H SER A 27 7.135 13.886 -2.864 1.00 0.00 H new ATOM 0 HA SER A 27 7.409 14.417 0.014 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.267 15.301 -1.983 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.595 16.024 -0.421 1.00 0.00 H new ATOM 0 HG SER A 27 6.632 17.183 -2.160 1.00 0.00 H new ATOM 434 N LEU A 28 5.347 12.193 -1.043 1.00 0.00 N ATOM 435 CA LEU A 28 4.306 11.203 -0.621 1.00 0.00 C ATOM 436 C LEU A 28 4.911 10.277 0.428 1.00 0.00 C ATOM 437 O LEU A 28 4.230 9.827 1.337 1.00 0.00 O ATOM 438 CB LEU A 28 3.862 10.380 -1.837 1.00 0.00 C ATOM 439 CG LEU A 28 2.746 9.409 -1.433 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.385 10.076 -1.643 1.00 0.00 C ATOM 441 CD2 LEU A 28 2.831 8.148 -2.297 1.00 0.00 C ATOM 0 H LEU A 28 5.801 11.982 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 28 3.443 11.722 -0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.510 11.044 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.709 9.826 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 28 2.862 9.142 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.593 9.385 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.322 10.975 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.269 10.344 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.038 7.457 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.716 8.418 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.800 7.670 -2.149 1.00 0.00 H new ATOM 453 N PHE A 29 6.188 9.997 0.297 1.00 0.00 N ATOM 454 CA PHE A 29 6.884 9.104 1.264 1.00 0.00 C ATOM 455 C PHE A 29 7.895 9.926 2.069 1.00 0.00 C ATOM 456 O PHE A 29 8.038 9.742 3.265 1.00 0.00 O ATOM 457 CB PHE A 29 7.603 7.991 0.494 1.00 0.00 C ATOM 458 CG PHE A 29 6.663 6.821 0.300 1.00 0.00 C ATOM 459 CD1 PHE A 29 6.018 6.246 1.403 1.00 0.00 C ATOM 460 CD2 PHE A 29 6.434 6.314 -0.985 1.00 0.00 C ATOM 461 CE1 PHE A 29 5.147 5.166 1.221 1.00 0.00 C ATOM 462 CE2 PHE A 29 5.563 5.232 -1.166 1.00 0.00 C ATOM 463 CZ PHE A 29 4.920 4.658 -0.064 1.00 0.00 C ATOM 0 H PHE A 29 6.780 10.357 -0.451 1.00 0.00 H new ATOM 0 HA PHE A 29 6.162 8.657 1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.941 8.363 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.490 7.671 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.193 6.637 2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.929 6.757 -1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.650 4.724 2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.388 4.841 -2.157 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.249 3.824 -0.204 1.00 0.00 H new ATOM 473 N ASP A 30 8.583 10.842 1.410 1.00 0.00 N ATOM 474 CA ASP A 30 9.594 11.723 2.099 1.00 0.00 C ATOM 475 C ASP A 30 10.496 10.897 3.049 1.00 0.00 C ATOM 476 O ASP A 30 10.490 11.078 4.261 1.00 0.00 O ATOM 477 CB ASP A 30 8.848 12.816 2.876 1.00 0.00 C ATOM 478 CG ASP A 30 9.685 14.097 2.885 1.00 0.00 C ATOM 479 OD1 ASP A 30 9.521 14.893 1.973 1.00 0.00 O ATOM 480 OD2 ASP A 30 10.471 14.263 3.801 1.00 0.00 O ATOM 0 H ASP A 30 8.484 11.018 0.410 1.00 0.00 H new ATOM 0 HA ASP A 30 10.242 12.180 1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.878 13.006 2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.658 12.486 3.897 1.00 0.00 H new ATOM 485 N CYS A 31 11.274 9.991 2.490 1.00 0.00 N ATOM 486 CA CYS A 31 12.196 9.130 3.306 1.00 0.00 C ATOM 487 C CYS A 31 11.405 8.449 4.443 1.00 0.00 C ATOM 488 O CYS A 31 11.832 8.409 5.589 1.00 0.00 O ATOM 489 CB CYS A 31 13.324 10.004 3.874 1.00 0.00 C ATOM 490 SG CYS A 31 14.867 9.635 3.000 1.00 0.00 S ATOM 0 H CYS A 31 11.308 9.811 1.487 1.00 0.00 H new ATOM 0 HA CYS A 31 12.631 8.351 2.680 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.073 11.059 3.763 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.443 9.816 4.941 1.00 0.00 H new ATOM 495 N LYS A 32 10.245 7.921 4.116 1.00 0.00 N ATOM 496 CA LYS A 32 9.378 7.243 5.134 1.00 0.00 C ATOM 497 C LYS A 32 10.129 6.085 5.797 1.00 0.00 C ATOM 498 O LYS A 32 11.281 5.819 5.493 1.00 0.00 O ATOM 499 CB LYS A 32 8.126 6.695 4.442 1.00 0.00 C ATOM 500 CG LYS A 32 8.535 5.742 3.308 1.00 0.00 C ATOM 501 CD LYS A 32 7.760 4.424 3.422 1.00 0.00 C ATOM 502 CE LYS A 32 8.423 3.369 2.535 1.00 0.00 C ATOM 503 NZ LYS A 32 8.574 3.905 1.151 1.00 0.00 N ATOM 0 H LYS A 32 9.859 7.932 3.172 1.00 0.00 H new ATOM 0 HA LYS A 32 9.102 7.969 5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.501 6.169 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.531 7.516 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.337 6.207 2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.607 5.548 3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.744 4.087 4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.723 4.571 3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.398 3.099 2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.821 2.460 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.528 3.122 0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.808 4.581 0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.491 4.387 1.064 1.00 0.00 H new ATOM 517 N ASP A 33 9.459 5.397 6.697 1.00 0.00 N ATOM 518 CA ASP A 33 10.071 4.234 7.413 1.00 0.00 C ATOM 519 C ASP A 33 9.986 2.993 6.523 1.00 0.00 C ATOM 520 O ASP A 33 10.995 2.480 6.064 1.00 0.00 O ATOM 521 CB ASP A 33 9.307 3.979 8.715 1.00 0.00 C ATOM 522 CG ASP A 33 9.617 5.091 9.720 1.00 0.00 C ATOM 523 OD1 ASP A 33 10.788 5.334 9.961 1.00 0.00 O ATOM 524 OD2 ASP A 33 8.678 5.680 10.231 1.00 0.00 O ATOM 0 H ASP A 33 8.497 5.599 6.968 1.00 0.00 H new ATOM 0 HA ASP A 33 11.115 4.452 7.640 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.236 3.942 8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.589 3.011 9.130 1.00 0.00 H new ATOM 529 N LYS A 34 8.781 2.513 6.279 1.00 0.00 N ATOM 530 CA LYS A 34 8.594 1.305 5.416 1.00 0.00 C ATOM 531 C LYS A 34 7.145 1.235 4.922 1.00 0.00 C ATOM 532 O LYS A 34 6.258 1.845 5.497 1.00 0.00 O ATOM 533 CB LYS A 34 8.931 0.043 6.220 1.00 0.00 C ATOM 534 CG LYS A 34 8.049 -0.032 7.476 1.00 0.00 C ATOM 535 CD LYS A 34 7.008 -1.142 7.312 1.00 0.00 C ATOM 536 CE LYS A 34 5.821 -0.871 8.238 1.00 0.00 C ATOM 537 NZ LYS A 34 4.802 -1.945 8.065 1.00 0.00 N ATOM 0 H LYS A 34 7.918 2.913 6.646 1.00 0.00 H new ATOM 0 HA LYS A 34 9.259 1.373 4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.776 -0.843 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.983 0.054 6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.666 -0.226 8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.552 0.924 7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.671 -1.189 6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.452 -2.109 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.155 -0.835 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.383 0.101 8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.994 -1.762 8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.476 -1.958 7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.224 -2.865 8.302 1.00 0.00 H new ATOM 551 N ASN A 35 6.910 0.489 3.859 1.00 0.00 N ATOM 552 CA ASN A 35 5.526 0.352 3.296 1.00 0.00 C ATOM 553 C ASN A 35 5.397 -0.995 2.574 1.00 0.00 C ATOM 554 O ASN A 35 6.328 -1.451 1.933 1.00 0.00 O ATOM 555 CB ASN A 35 5.258 1.489 2.304 1.00 0.00 C ATOM 556 CG ASN A 35 3.817 1.390 1.793 1.00 0.00 C ATOM 557 OD1 ASN A 35 3.421 0.376 1.254 1.00 0.00 O ATOM 558 ND2 ASN A 35 3.009 2.404 1.938 1.00 0.00 N ATOM 0 H ASN A 35 7.627 -0.034 3.356 1.00 0.00 H new ATOM 0 HA ASN A 35 4.801 0.401 4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.419 2.453 2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.956 1.430 1.469 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.049 2.343 1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.338 3.257 2.390 1.00 0.00 H new ATOM 565 N THR A 36 4.238 -1.617 2.668 1.00 0.00 N ATOM 566 CA THR A 36 4.003 -2.928 1.985 1.00 0.00 C ATOM 567 C THR A 36 3.101 -2.692 0.772 1.00 0.00 C ATOM 568 O THR A 36 2.004 -2.173 0.905 1.00 0.00 O ATOM 569 CB THR A 36 3.314 -3.897 2.949 1.00 0.00 C ATOM 570 OG1 THR A 36 4.046 -3.952 4.165 1.00 0.00 O ATOM 571 CG2 THR A 36 3.256 -5.290 2.320 1.00 0.00 C ATOM 0 H THR A 36 3.440 -1.264 3.196 1.00 0.00 H new ATOM 0 HA THR A 36 4.954 -3.356 1.669 1.00 0.00 H new ATOM 0 HB THR A 36 2.300 -3.551 3.151 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.605 -4.571 4.784 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.765 -5.979 3.007 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.693 -5.245 1.388 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.268 -5.640 2.116 1.00 0.00 H new ATOM 579 N PHE A 37 3.563 -3.061 -0.406 1.00 0.00 N ATOM 580 CA PHE A 37 2.752 -2.855 -1.647 1.00 0.00 C ATOM 581 C PHE A 37 2.062 -4.161 -2.044 1.00 0.00 C ATOM 582 O PHE A 37 2.481 -5.239 -1.657 1.00 0.00 O ATOM 583 CB PHE A 37 3.661 -2.402 -2.797 1.00 0.00 C ATOM 584 CG PHE A 37 4.557 -1.257 -2.360 1.00 0.00 C ATOM 585 CD1 PHE A 37 4.052 -0.202 -1.580 1.00 0.00 C ATOM 586 CD2 PHE A 37 5.903 -1.250 -2.750 1.00 0.00 C ATOM 587 CE1 PHE A 37 4.896 0.848 -1.194 1.00 0.00 C ATOM 588 CE2 PHE A 37 6.742 -0.199 -2.363 1.00 0.00 C ATOM 589 CZ PHE A 37 6.239 0.849 -1.586 1.00 0.00 C ATOM 0 H PHE A 37 4.472 -3.498 -0.557 1.00 0.00 H new ATOM 0 HA PHE A 37 2.001 -2.090 -1.449 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.272 -3.239 -3.134 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.052 -2.089 -3.646 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.015 -0.201 -1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.294 -2.058 -3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.509 1.658 -0.593 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.779 -0.197 -2.665 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.888 1.660 -1.288 1.00 0.00 H new ATOM 599 N ILE A 38 1.009 -4.052 -2.824 1.00 0.00 N ATOM 600 CA ILE A 38 0.253 -5.255 -3.292 1.00 0.00 C ATOM 601 C ILE A 38 0.547 -5.469 -4.775 1.00 0.00 C ATOM 602 O ILE A 38 0.633 -4.516 -5.536 1.00 0.00 O ATOM 603 CB ILE A 38 -1.250 -5.009 -3.102 1.00 0.00 C ATOM 604 CG1 ILE A 38 -1.538 -4.657 -1.633 1.00 0.00 C ATOM 605 CG2 ILE A 38 -2.041 -6.260 -3.500 1.00 0.00 C ATOM 606 CD1 ILE A 38 -1.121 -5.811 -0.714 1.00 0.00 C ATOM 0 H ILE A 38 0.638 -3.163 -3.160 1.00 0.00 H new ATOM 0 HA ILE A 38 0.553 -6.134 -2.722 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.557 -4.178 -3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.998 -3.751 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.600 -4.447 -1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.106 -6.076 -3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.846 -6.496 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.734 -7.099 -2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.332 -5.545 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.680 -6.708 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.054 -6.001 -0.830 1.00 0.00 H new ATOM 618 N TYR A 39 0.692 -6.712 -5.189 1.00 0.00 N ATOM 619 CA TYR A 39 0.975 -7.008 -6.627 1.00 0.00 C ATOM 620 C TYR A 39 -0.351 -7.314 -7.334 1.00 0.00 C ATOM 621 O TYR A 39 -0.752 -8.460 -7.480 1.00 0.00 O ATOM 622 CB TYR A 39 1.934 -8.205 -6.738 1.00 0.00 C ATOM 623 CG TYR A 39 2.259 -8.456 -8.195 1.00 0.00 C ATOM 624 CD1 TYR A 39 3.073 -7.560 -8.898 1.00 0.00 C ATOM 625 CD2 TYR A 39 1.739 -9.584 -8.844 1.00 0.00 C ATOM 626 CE1 TYR A 39 3.367 -7.791 -10.248 1.00 0.00 C ATOM 627 CE2 TYR A 39 2.034 -9.816 -10.193 1.00 0.00 C ATOM 628 CZ TYR A 39 2.848 -8.919 -10.894 1.00 0.00 C ATOM 629 OH TYR A 39 3.136 -9.146 -12.225 1.00 0.00 O ATOM 0 H TYR A 39 0.625 -7.533 -4.587 1.00 0.00 H new ATOM 0 HA TYR A 39 1.449 -6.148 -7.100 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.848 -8.005 -6.179 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.479 -9.092 -6.298 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.475 -6.690 -8.399 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.110 -10.275 -8.303 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.994 -7.099 -10.790 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.634 -10.686 -10.692 1.00 0.00 H new ATOM 0 HH TYR A 39 2.698 -9.972 -12.518 1.00 0.00 H new ATOM 639 N SER A 40 -1.030 -6.272 -7.761 1.00 0.00 N ATOM 640 CA SER A 40 -2.340 -6.431 -8.460 1.00 0.00 C ATOM 641 C SER A 40 -2.690 -5.125 -9.177 1.00 0.00 C ATOM 642 O SER A 40 -2.062 -4.101 -8.957 1.00 0.00 O ATOM 643 CB SER A 40 -3.426 -6.757 -7.434 1.00 0.00 C ATOM 644 OG SER A 40 -4.680 -6.857 -8.095 1.00 0.00 O ATOM 0 H SER A 40 -0.723 -5.305 -7.651 1.00 0.00 H new ATOM 0 HA SER A 40 -2.273 -7.240 -9.187 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.194 -7.693 -6.926 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.465 -5.981 -6.670 1.00 0.00 H new ATOM 0 HG SER A 40 -5.379 -7.068 -7.441 1.00 0.00 H new ATOM 650 N LEU A 41 -3.689 -5.165 -10.030 1.00 0.00 N ATOM 651 CA LEU A 41 -4.109 -3.942 -10.783 1.00 0.00 C ATOM 652 C LEU A 41 -5.157 -3.171 -9.961 1.00 0.00 C ATOM 653 O LEU A 41 -5.776 -3.747 -9.083 1.00 0.00 O ATOM 654 CB LEU A 41 -4.722 -4.361 -12.120 1.00 0.00 C ATOM 655 CG LEU A 41 -3.638 -4.967 -13.014 1.00 0.00 C ATOM 656 CD1 LEU A 41 -4.276 -5.957 -14.001 1.00 0.00 C ATOM 657 CD2 LEU A 41 -2.930 -3.847 -13.785 1.00 0.00 C ATOM 0 H LEU A 41 -4.235 -6.002 -10.237 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.243 -3.304 -10.959 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.519 -5.086 -11.955 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.173 -3.499 -12.611 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.911 -5.497 -12.398 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.502 -6.387 -14.636 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.774 -6.753 -13.447 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.005 -5.434 -14.620 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.157 -4.276 -14.423 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.655 -3.315 -14.401 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.474 -3.152 -13.080 1.00 0.00 H new ATOM 669 N PRO A 42 -5.343 -1.893 -10.270 1.00 0.00 N ATOM 670 CA PRO A 42 -6.328 -1.047 -9.563 1.00 0.00 C ATOM 671 C PRO A 42 -7.756 -1.371 -10.031 1.00 0.00 C ATOM 672 O PRO A 42 -8.720 -0.985 -9.388 1.00 0.00 O ATOM 673 CB PRO A 42 -5.928 0.380 -9.947 1.00 0.00 C ATOM 674 CG PRO A 42 -5.121 0.272 -11.261 1.00 0.00 C ATOM 675 CD PRO A 42 -4.606 -1.175 -11.344 1.00 0.00 C ATOM 0 HA PRO A 42 -6.327 -1.203 -8.484 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.810 1.006 -10.084 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.329 0.840 -9.161 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.747 0.510 -12.121 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.292 0.979 -11.265 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.805 -1.612 -12.323 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.528 -1.223 -11.187 1.00 0.00 H new ATOM 683 N GLY A 43 -7.892 -2.076 -11.141 1.00 0.00 N ATOM 684 CA GLY A 43 -9.244 -2.440 -11.669 1.00 0.00 C ATOM 685 C GLY A 43 -9.904 -3.492 -10.758 1.00 0.00 C ATOM 686 O GLY A 43 -10.980 -3.248 -10.245 1.00 0.00 O ATOM 0 H GLY A 43 -7.111 -2.414 -11.704 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.872 -1.551 -11.725 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.154 -2.831 -12.682 1.00 0.00 H new ATOM 690 N PRO A 44 -9.249 -4.639 -10.576 1.00 0.00 N ATOM 691 CA PRO A 44 -9.785 -5.724 -9.726 1.00 0.00 C ATOM 692 C PRO A 44 -9.681 -5.355 -8.243 1.00 0.00 C ATOM 693 O PRO A 44 -10.514 -5.760 -7.448 1.00 0.00 O ATOM 694 CB PRO A 44 -8.911 -6.933 -10.069 1.00 0.00 C ATOM 695 CG PRO A 44 -7.601 -6.370 -10.660 1.00 0.00 C ATOM 696 CD PRO A 44 -7.929 -4.959 -11.181 1.00 0.00 C ATOM 0 HA PRO A 44 -10.842 -5.919 -9.905 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.710 -7.532 -9.181 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.412 -7.584 -10.786 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.818 -6.332 -9.902 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.234 -7.006 -11.466 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.169 -4.238 -10.881 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.975 -4.938 -12.270 1.00 0.00 H new ATOM 704 N VAL A 45 -8.683 -4.574 -7.874 1.00 0.00 N ATOM 705 CA VAL A 45 -8.536 -4.153 -6.443 1.00 0.00 C ATOM 706 C VAL A 45 -9.673 -3.181 -6.132 1.00 0.00 C ATOM 707 O VAL A 45 -10.427 -3.378 -5.193 1.00 0.00 O ATOM 708 CB VAL A 45 -7.172 -3.476 -6.235 1.00 0.00 C ATOM 709 CG1 VAL A 45 -7.054 -2.947 -4.801 1.00 0.00 C ATOM 710 CG2 VAL A 45 -6.062 -4.501 -6.479 1.00 0.00 C ATOM 0 H VAL A 45 -7.967 -4.213 -8.505 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.585 -5.014 -5.777 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.079 -2.643 -6.932 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.083 -2.470 -4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.844 -2.219 -4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.151 -3.775 -4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.091 -4.028 -6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.171 -5.329 -5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.132 -4.878 -7.499 1.00 0.00 H new ATOM 720 N LYS A 46 -9.808 -2.158 -6.945 1.00 0.00 N ATOM 721 CA LYS A 46 -10.908 -1.164 -6.759 1.00 0.00 C ATOM 722 C LYS A 46 -12.249 -1.880 -6.961 1.00 0.00 C ATOM 723 O LYS A 46 -13.256 -1.483 -6.400 1.00 0.00 O ATOM 724 CB LYS A 46 -10.763 -0.041 -7.789 1.00 0.00 C ATOM 725 CG LYS A 46 -11.830 1.028 -7.536 1.00 0.00 C ATOM 726 CD LYS A 46 -11.368 2.363 -8.127 1.00 0.00 C ATOM 727 CE LYS A 46 -11.963 2.538 -9.526 1.00 0.00 C ATOM 728 NZ LYS A 46 -11.586 3.877 -10.064 1.00 0.00 N ATOM 0 H LYS A 46 -9.194 -1.970 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.861 -0.735 -5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.769 0.400 -7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.868 -0.442 -8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.776 0.727 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.007 1.134 -6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.680 3.185 -7.483 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.280 2.393 -8.177 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.599 1.753 -10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.048 2.443 -9.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.991 3.996 -11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.954 4.620 -9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.550 3.951 -10.117 1.00 0.00 H new ATOM 742 N ALA A 47 -12.255 -2.943 -7.752 1.00 0.00 N ATOM 743 CA ALA A 47 -13.516 -3.718 -8.002 1.00 0.00 C ATOM 744 C ALA A 47 -14.073 -4.212 -6.665 1.00 0.00 C ATOM 745 O ALA A 47 -15.275 -4.206 -6.447 1.00 0.00 O ATOM 746 CB ALA A 47 -13.210 -4.917 -8.902 1.00 0.00 C ATOM 0 H ALA A 47 -11.432 -3.303 -8.235 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.249 -3.078 -8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.126 -5.479 -9.083 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.806 -4.566 -9.852 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.479 -5.562 -8.413 1.00 0.00 H new ATOM 752 N LEU A 48 -13.197 -4.617 -5.765 1.00 0.00 N ATOM 753 CA LEU A 48 -13.639 -5.096 -4.418 1.00 0.00 C ATOM 754 C LEU A 48 -14.341 -3.941 -3.703 1.00 0.00 C ATOM 755 O LEU A 48 -15.306 -4.137 -2.981 1.00 0.00 O ATOM 756 CB LEU A 48 -12.418 -5.537 -3.605 1.00 0.00 C ATOM 757 CG LEU A 48 -11.666 -6.639 -4.356 1.00 0.00 C ATOM 758 CD1 LEU A 48 -10.282 -6.826 -3.733 1.00 0.00 C ATOM 759 CD2 LEU A 48 -12.450 -7.949 -4.258 1.00 0.00 C ATOM 0 H LEU A 48 -12.188 -4.634 -5.913 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.319 -5.941 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.758 -4.687 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.733 -5.900 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.559 -6.357 -5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.746 -7.610 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.723 -5.893 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.390 -7.108 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.915 -8.734 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.557 -8.231 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.437 -7.816 -4.701 1.00 0.00 H new ATOM 771 N CYS A 49 -13.859 -2.737 -3.927 1.00 0.00 N ATOM 772 CA CYS A 49 -14.470 -1.523 -3.305 1.00 0.00 C ATOM 773 C CYS A 49 -15.718 -1.117 -4.096 1.00 0.00 C ATOM 774 O CYS A 49 -16.588 -0.439 -3.574 1.00 0.00 O ATOM 775 CB CYS A 49 -13.451 -0.380 -3.325 1.00 0.00 C ATOM 776 SG CYS A 49 -12.572 -0.330 -1.745 1.00 0.00 S ATOM 0 H CYS A 49 -13.055 -2.546 -4.525 1.00 0.00 H new ATOM 0 HA CYS A 49 -14.753 -1.740 -2.275 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -12.744 -0.523 -4.142 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -13.956 0.569 -3.503 1.00 0.00 H new ATOM 781 N ARG A 50 -15.815 -1.539 -5.349 1.00 0.00 N ATOM 782 CA ARG A 50 -17.008 -1.200 -6.188 1.00 0.00 C ATOM 783 C ARG A 50 -18.274 -1.717 -5.488 1.00 0.00 C ATOM 784 O ARG A 50 -18.673 -2.860 -5.663 1.00 0.00 O ATOM 785 CB ARG A 50 -16.867 -1.856 -7.566 1.00 0.00 C ATOM 786 CG ARG A 50 -17.773 -1.140 -8.568 1.00 0.00 C ATOM 787 CD ARG A 50 -17.887 -1.977 -9.844 1.00 0.00 C ATOM 788 NE ARG A 50 -16.774 -1.628 -10.769 1.00 0.00 N ATOM 789 CZ ARG A 50 -17.033 -1.275 -11.998 1.00 0.00 C ATOM 790 NH1 ARG A 50 -17.519 -2.147 -12.838 1.00 0.00 N ATOM 791 NH2 ARG A 50 -16.807 -0.049 -12.388 1.00 0.00 N ATOM 0 H ARG A 50 -15.110 -2.106 -5.820 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.078 -0.120 -6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -15.830 -1.808 -7.899 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -17.135 -2.911 -7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -18.761 -0.984 -8.134 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -17.368 -0.155 -8.802 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -17.851 -3.039 -9.599 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -18.847 -1.793 -10.327 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.809 -1.665 -10.442 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.696 -3.104 -12.534 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.722 -1.871 -13.799 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.428 0.633 -11.731 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.010 0.226 -13.349 1.00 0.00 H new ATOM 805 N GLY A 51 -18.885 -0.879 -4.681 1.00 0.00 N ATOM 806 CA GLY A 51 -20.115 -1.278 -3.933 1.00 0.00 C ATOM 807 C GLY A 51 -20.123 -0.595 -2.562 1.00 0.00 C ATOM 808 O GLY A 51 -21.176 -0.374 -1.990 1.00 0.00 O ATOM 0 H GLY A 51 -18.576 0.078 -4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -21.004 -0.996 -4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.145 -2.361 -3.812 1.00 0.00 H new ATOM 812 N VAL A 52 -18.954 -0.262 -2.039 1.00 0.00 N ATOM 813 CA VAL A 52 -18.871 0.410 -0.701 1.00 0.00 C ATOM 814 C VAL A 52 -19.168 1.906 -0.859 1.00 0.00 C ATOM 815 O VAL A 52 -18.869 2.497 -1.884 1.00 0.00 O ATOM 816 CB VAL A 52 -17.466 0.223 -0.126 1.00 0.00 C ATOM 817 CG1 VAL A 52 -17.421 0.767 1.302 1.00 0.00 C ATOM 818 CG2 VAL A 52 -17.116 -1.268 -0.115 1.00 0.00 C ATOM 0 H VAL A 52 -18.054 -0.430 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.602 -0.033 -0.025 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.746 0.763 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -16.419 0.633 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.672 1.828 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.140 0.228 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -16.115 -1.404 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.836 -1.806 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.147 -1.657 -1.133 1.00 0.00 H new ATOM 828 N ILE A 53 -19.763 2.509 0.151 1.00 0.00 N ATOM 829 CA ILE A 53 -20.108 3.968 0.093 1.00 0.00 C ATOM 830 C ILE A 53 -19.578 4.679 1.343 1.00 0.00 C ATOM 831 O ILE A 53 -19.058 5.781 1.261 1.00 0.00 O ATOM 832 CB ILE A 53 -21.628 4.123 0.023 1.00 0.00 C ATOM 833 CG1 ILE A 53 -22.173 3.287 -1.140 1.00 0.00 C ATOM 834 CG2 ILE A 53 -21.984 5.593 -0.203 1.00 0.00 C ATOM 835 CD1 ILE A 53 -22.500 1.878 -0.647 1.00 0.00 C ATOM 0 H ILE A 53 -20.026 2.045 1.021 1.00 0.00 H new ATOM 0 HA ILE A 53 -19.651 4.413 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 53 -22.069 3.781 0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -23.067 3.756 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -21.438 3.241 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -23.067 5.702 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -21.597 6.192 0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -21.542 5.935 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -22.888 1.284 -1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -21.596 1.410 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -23.250 1.934 0.142 1.00 0.00 H new ATOM 847 N PHE A 54 -19.705 4.049 2.491 1.00 0.00 N ATOM 848 CA PHE A 54 -19.213 4.655 3.769 1.00 0.00 C ATOM 849 C PHE A 54 -17.832 4.087 4.103 1.00 0.00 C ATOM 850 O PHE A 54 -17.360 3.169 3.453 1.00 0.00 O ATOM 851 CB PHE A 54 -20.185 4.322 4.900 1.00 0.00 C ATOM 852 CG PHE A 54 -21.475 5.079 4.694 1.00 0.00 C ATOM 853 CD1 PHE A 54 -21.593 6.394 5.156 1.00 0.00 C ATOM 854 CD2 PHE A 54 -22.551 4.466 4.041 1.00 0.00 C ATOM 855 CE1 PHE A 54 -22.787 7.099 4.966 1.00 0.00 C ATOM 856 CE2 PHE A 54 -23.745 5.172 3.849 1.00 0.00 C ATOM 857 CZ PHE A 54 -23.864 6.488 4.312 1.00 0.00 C ATOM 0 H PHE A 54 -20.134 3.130 2.595 1.00 0.00 H new ATOM 0 HA PHE A 54 -19.145 5.737 3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -20.380 3.250 4.923 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -19.745 4.587 5.862 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -20.762 6.866 5.660 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -22.460 3.450 3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -22.878 8.114 5.324 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -24.575 4.701 3.343 1.00 0.00 H new ATOM 0 HZ PHE A 54 -24.786 7.031 4.165 1.00 0.00 H new ATOM 867 N SER A 55 -17.188 4.634 5.113 1.00 0.00 N ATOM 868 CA SER A 55 -15.831 4.148 5.514 1.00 0.00 C ATOM 869 C SER A 55 -15.962 2.807 6.239 1.00 0.00 C ATOM 870 O SER A 55 -16.543 2.730 7.312 1.00 0.00 O ATOM 871 CB SER A 55 -15.174 5.169 6.444 1.00 0.00 C ATOM 872 OG SER A 55 -16.037 5.422 7.546 1.00 0.00 O ATOM 0 H SER A 55 -17.551 5.402 5.678 1.00 0.00 H new ATOM 0 HA SER A 55 -15.215 4.021 4.624 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.214 4.792 6.797 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.973 6.094 5.904 1.00 0.00 H new ATOM 0 HG SER A 55 -16.493 4.593 7.802 1.00 0.00 H new ATOM 878 N ALA A 56 -15.425 1.754 5.655 1.00 0.00 N ATOM 879 CA ALA A 56 -15.500 0.400 6.284 1.00 0.00 C ATOM 880 C ALA A 56 -14.145 -0.290 6.147 1.00 0.00 C ATOM 881 O ALA A 56 -13.412 -0.036 5.206 1.00 0.00 O ATOM 882 CB ALA A 56 -16.572 -0.433 5.578 1.00 0.00 C ATOM 0 H ALA A 56 -14.935 1.782 4.761 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.757 0.498 7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.626 -1.420 6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.538 0.064 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.316 -0.537 4.523 1.00 0.00 H new ATOM 888 N ASP A 57 -13.816 -1.161 7.077 1.00 0.00 N ATOM 889 CA ASP A 57 -12.509 -1.884 7.017 1.00 0.00 C ATOM 890 C ASP A 57 -12.728 -3.271 6.413 1.00 0.00 C ATOM 891 O ASP A 57 -13.429 -4.097 6.978 1.00 0.00 O ATOM 892 CB ASP A 57 -11.932 -2.029 8.428 1.00 0.00 C ATOM 893 CG ASP A 57 -11.695 -0.642 9.030 1.00 0.00 C ATOM 894 OD1 ASP A 57 -12.659 0.092 9.169 1.00 0.00 O ATOM 895 OD2 ASP A 57 -10.555 -0.340 9.344 1.00 0.00 O ATOM 0 H ASP A 57 -14.402 -1.400 7.877 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.811 -1.319 6.400 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.618 -2.597 9.056 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -10.996 -2.587 8.394 1.00 0.00 H new ATOM 900 N VAL A 58 -12.131 -3.524 5.268 1.00 0.00 N ATOM 901 CA VAL A 58 -12.284 -4.850 4.594 1.00 0.00 C ATOM 902 C VAL A 58 -10.930 -5.560 4.557 1.00 0.00 C ATOM 903 O VAL A 58 -9.904 -4.941 4.328 1.00 0.00 O ATOM 904 CB VAL A 58 -12.801 -4.637 3.165 1.00 0.00 C ATOM 905 CG1 VAL A 58 -12.983 -5.992 2.473 1.00 0.00 C ATOM 906 CG2 VAL A 58 -14.148 -3.893 3.209 1.00 0.00 C ATOM 0 H VAL A 58 -11.539 -2.859 4.770 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.996 -5.464 5.146 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.078 -4.043 2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.350 -5.836 1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -12.026 -6.513 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.702 -6.592 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -14.514 -3.742 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.871 -4.483 3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.014 -2.926 3.693 1.00 0.00 H new ATOM 916 N LEU A 59 -10.935 -6.857 4.777 1.00 0.00 N ATOM 917 CA LEU A 59 -9.667 -7.651 4.755 1.00 0.00 C ATOM 918 C LEU A 59 -9.684 -8.578 3.538 1.00 0.00 C ATOM 919 O LEU A 59 -10.595 -9.376 3.382 1.00 0.00 O ATOM 920 CB LEU A 59 -9.570 -8.495 6.031 1.00 0.00 C ATOM 921 CG LEU A 59 -8.763 -7.743 7.089 1.00 0.00 C ATOM 922 CD1 LEU A 59 -9.193 -8.208 8.482 1.00 0.00 C ATOM 923 CD2 LEU A 59 -7.273 -8.032 6.897 1.00 0.00 C ATOM 0 H LEU A 59 -11.775 -7.402 4.973 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.812 -6.978 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.568 -8.714 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.096 -9.451 5.810 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.942 -6.673 6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.618 -7.673 9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.255 -8.005 8.622 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.013 -9.279 8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.698 -7.495 7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.094 -9.102 6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.964 -7.704 5.905 1.00 0.00 H new ATOM 935 N SER A 60 -8.687 -8.480 2.679 1.00 0.00 N ATOM 936 CA SER A 60 -8.630 -9.356 1.460 1.00 0.00 C ATOM 937 C SER A 60 -8.669 -10.827 1.891 1.00 0.00 C ATOM 938 O SER A 60 -7.784 -11.296 2.587 1.00 0.00 O ATOM 939 CB SER A 60 -7.341 -9.079 0.681 1.00 0.00 C ATOM 940 OG SER A 60 -6.218 -9.477 1.459 1.00 0.00 O ATOM 0 H SER A 60 -7.909 -7.827 2.773 1.00 0.00 H new ATOM 0 HA SER A 60 -9.485 -9.141 0.819 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.352 -9.621 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.271 -8.018 0.439 1.00 0.00 H new ATOM 0 HG SER A 60 -6.091 -10.445 1.379 1.00 0.00 H new ATOM 946 N ASN A 61 -9.698 -11.540 1.486 1.00 0.00 N ATOM 947 CA ASN A 61 -9.832 -12.981 1.861 1.00 0.00 C ATOM 948 C ASN A 61 -8.736 -13.790 1.170 1.00 0.00 C ATOM 949 O ASN A 61 -8.269 -14.788 1.696 1.00 0.00 O ATOM 950 CB ASN A 61 -11.203 -13.496 1.423 1.00 0.00 C ATOM 951 CG ASN A 61 -12.294 -12.786 2.227 1.00 0.00 C ATOM 952 OD1 ASN A 61 -13.085 -12.043 1.679 1.00 0.00 O ATOM 953 ND2 ASN A 61 -12.370 -12.982 3.515 1.00 0.00 N ATOM 0 H ASN A 61 -10.455 -11.178 0.907 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.734 -13.087 2.941 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.347 -13.318 0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.265 -14.573 1.577 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.092 -12.512 4.061 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.707 -13.605 3.976 1.00 0.00 H new ATOM 960 N SER A 62 -8.325 -13.357 -0.002 1.00 0.00 N ATOM 961 CA SER A 62 -7.254 -14.075 -0.760 1.00 0.00 C ATOM 962 C SER A 62 -5.909 -13.392 -0.511 1.00 0.00 C ATOM 963 O SER A 62 -5.803 -12.178 -0.583 1.00 0.00 O ATOM 964 CB SER A 62 -7.575 -14.032 -2.252 1.00 0.00 C ATOM 965 OG SER A 62 -8.402 -15.139 -2.585 1.00 0.00 O ATOM 0 H SER A 62 -8.692 -12.527 -0.468 1.00 0.00 H new ATOM 0 HA SER A 62 -7.203 -15.111 -0.426 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.079 -13.098 -2.501 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.655 -14.062 -2.835 1.00 0.00 H new ATOM 0 HG SER A 62 -8.612 -15.114 -3.542 1.00 0.00 H new ATOM 971 N GLU A 63 -4.887 -14.171 -0.224 1.00 0.00 N ATOM 972 CA GLU A 63 -3.529 -13.597 0.032 1.00 0.00 C ATOM 973 C GLU A 63 -2.855 -13.281 -1.302 1.00 0.00 C ATOM 974 O GLU A 63 -2.874 -14.088 -2.217 1.00 0.00 O ATOM 975 CB GLU A 63 -2.687 -14.612 0.808 1.00 0.00 C ATOM 976 CG GLU A 63 -3.317 -14.846 2.182 1.00 0.00 C ATOM 977 CD GLU A 63 -2.688 -16.084 2.826 1.00 0.00 C ATOM 978 OE1 GLU A 63 -2.868 -17.163 2.286 1.00 0.00 O ATOM 979 OE2 GLU A 63 -2.041 -15.932 3.848 1.00 0.00 O ATOM 0 H GLU A 63 -4.940 -15.187 -0.157 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.620 -12.682 0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.629 -15.551 0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.667 -14.245 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.163 -13.974 2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.394 -14.982 2.082 1.00 0.00 H new ATOM 986 N PHE A 64 -2.266 -12.109 -1.412 1.00 0.00 N ATOM 987 CA PHE A 64 -1.579 -11.706 -2.684 1.00 0.00 C ATOM 988 C PHE A 64 -0.085 -11.534 -2.418 1.00 0.00 C ATOM 989 O PHE A 64 0.352 -11.527 -1.275 1.00 0.00 O ATOM 990 CB PHE A 64 -2.127 -10.363 -3.203 1.00 0.00 C ATOM 991 CG PHE A 64 -3.623 -10.258 -2.979 1.00 0.00 C ATOM 992 CD1 PHE A 64 -4.467 -11.300 -3.382 1.00 0.00 C ATOM 993 CD2 PHE A 64 -4.162 -9.114 -2.375 1.00 0.00 C ATOM 994 CE1 PHE A 64 -5.849 -11.199 -3.178 1.00 0.00 C ATOM 995 CE2 PHE A 64 -5.544 -9.014 -2.171 1.00 0.00 C ATOM 996 CZ PHE A 64 -6.387 -10.056 -2.573 1.00 0.00 C ATOM 0 H PHE A 64 -2.232 -11.411 -0.669 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.758 -12.483 -3.427 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.622 -9.541 -2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.908 -10.264 -4.266 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.053 -12.181 -3.850 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.511 -8.309 -2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.500 -12.003 -3.487 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.959 -8.133 -1.704 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.453 -9.979 -2.417 1.00 0.00 H new ATOM 1006 N TYR A 65 0.686 -11.359 -3.468 1.00 0.00 N ATOM 1007 CA TYR A 65 2.153 -11.141 -3.309 1.00 0.00 C ATOM 1008 C TYR A 65 2.342 -9.726 -2.774 1.00 0.00 C ATOM 1009 O TYR A 65 1.575 -8.835 -3.107 1.00 0.00 O ATOM 1010 CB TYR A 65 2.858 -11.296 -4.659 1.00 0.00 C ATOM 1011 CG TYR A 65 3.222 -12.748 -4.864 1.00 0.00 C ATOM 1012 CD1 TYR A 65 2.240 -13.671 -5.248 1.00 0.00 C ATOM 1013 CD2 TYR A 65 4.541 -13.175 -4.664 1.00 0.00 C ATOM 1014 CE1 TYR A 65 2.578 -15.017 -5.433 1.00 0.00 C ATOM 1015 CE2 TYR A 65 4.878 -14.521 -4.847 1.00 0.00 C ATOM 1016 CZ TYR A 65 3.897 -15.443 -5.233 1.00 0.00 C ATOM 1017 OH TYR A 65 4.227 -16.771 -5.411 1.00 0.00 O ATOM 0 H TYR A 65 0.355 -11.359 -4.433 1.00 0.00 H new ATOM 0 HA TYR A 65 2.582 -11.872 -2.624 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.207 -10.954 -5.464 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.754 -10.676 -4.688 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.222 -13.344 -5.401 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.299 -12.465 -4.368 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.821 -15.727 -5.730 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.895 -14.849 -4.690 1.00 0.00 H new ATOM 0 HH TYR A 65 5.182 -16.897 -5.233 1.00 0.00 H new ATOM 1027 N LEU A 66 3.324 -9.521 -1.925 1.00 0.00 N ATOM 1028 CA LEU A 66 3.536 -8.165 -1.329 1.00 0.00 C ATOM 1029 C LEU A 66 4.972 -7.691 -1.541 1.00 0.00 C ATOM 1030 O LEU A 66 5.909 -8.274 -1.022 1.00 0.00 O ATOM 1031 CB LEU A 66 3.258 -8.219 0.178 1.00 0.00 C ATOM 1032 CG LEU A 66 1.917 -8.908 0.439 1.00 0.00 C ATOM 1033 CD1 LEU A 66 1.710 -9.069 1.945 1.00 0.00 C ATOM 1034 CD2 LEU A 66 0.786 -8.060 -0.145 1.00 0.00 C ATOM 0 H LEU A 66 3.986 -10.235 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 66 2.855 -7.469 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.058 -8.759 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.244 -7.210 0.590 1.00 0.00 H new ATOM 0 HG LEU A 66 1.915 -9.890 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.755 -9.560 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.516 -9.674 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.712 -8.088 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.170 -8.550 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.787 -7.077 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.933 -7.947 -1.219 1.00 0.00 H new ATOM 1046 N ALA A 67 5.128 -6.604 -2.264 1.00 0.00 N ATOM 1047 CA ALA A 67 6.479 -6.013 -2.493 1.00 0.00 C ATOM 1048 C ALA A 67 6.613 -4.850 -1.513 1.00 0.00 C ATOM 1049 O ALA A 67 6.066 -3.782 -1.739 1.00 0.00 O ATOM 1050 CB ALA A 67 6.587 -5.502 -3.932 1.00 0.00 C ATOM 0 H ALA A 67 4.362 -6.098 -2.709 1.00 0.00 H new ATOM 0 HA ALA A 67 7.267 -6.751 -2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.576 -5.072 -4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.435 -6.330 -4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.827 -4.740 -4.105 1.00 0.00 H new ATOM 1056 N GLU A 68 7.296 -5.066 -0.408 1.00 0.00 N ATOM 1057 CA GLU A 68 7.429 -3.990 0.624 1.00 0.00 C ATOM 1058 C GLU A 68 8.794 -3.324 0.546 1.00 0.00 C ATOM 1059 O GLU A 68 9.722 -3.833 -0.062 1.00 0.00 O ATOM 1060 CB GLU A 68 7.235 -4.581 2.024 1.00 0.00 C ATOM 1061 CG GLU A 68 8.113 -5.822 2.195 1.00 0.00 C ATOM 1062 CD GLU A 68 8.362 -6.072 3.684 1.00 0.00 C ATOM 1063 OE1 GLU A 68 8.978 -5.226 4.313 1.00 0.00 O ATOM 1064 OE2 GLU A 68 7.932 -7.104 4.172 1.00 0.00 O ATOM 0 H GLU A 68 7.766 -5.942 -0.180 1.00 0.00 H new ATOM 0 HA GLU A 68 6.662 -3.240 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.490 -3.838 2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.188 -4.843 2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.627 -6.689 1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.061 -5.684 1.675 1.00 0.00 H new ATOM 1071 N CYS A 69 8.897 -2.182 1.178 1.00 0.00 N ATOM 1072 CA CYS A 69 10.168 -1.407 1.204 1.00 0.00 C ATOM 1073 C CYS A 69 10.526 -1.137 2.665 1.00 0.00 C ATOM 1074 O CYS A 69 9.893 -0.322 3.312 1.00 0.00 O ATOM 1075 CB CYS A 69 9.955 -0.077 0.479 1.00 0.00 C ATOM 1076 SG CYS A 69 10.086 -0.327 -1.309 1.00 0.00 S ATOM 0 H CYS A 69 8.130 -1.746 1.690 1.00 0.00 H new ATOM 0 HA CYS A 69 10.968 -1.961 0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 69 8.975 0.331 0.728 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.696 0.651 0.809 1.00 0.00 H new ATOM 1081 N ASN A 70 11.514 -1.830 3.189 1.00 0.00 N ATOM 1082 CA ASN A 70 11.904 -1.640 4.623 1.00 0.00 C ATOM 1083 C ASN A 70 13.199 -0.832 4.725 1.00 0.00 C ATOM 1084 O ASN A 70 14.216 -1.207 4.162 1.00 0.00 O ATOM 1085 CB ASN A 70 12.108 -3.009 5.273 1.00 0.00 C ATOM 1086 CG ASN A 70 11.970 -2.882 6.791 1.00 0.00 C ATOM 1087 OD1 ASN A 70 12.860 -3.255 7.528 1.00 0.00 O ATOM 1088 ND2 ASN A 70 10.880 -2.370 7.292 1.00 0.00 N ATOM 0 H ASN A 70 12.067 -2.521 2.682 1.00 0.00 H new ATOM 0 HA ASN A 70 11.111 -1.096 5.136 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.374 -3.718 4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 70 13.093 -3.400 5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.775 -2.283 8.303 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.132 -2.057 6.673 1.00 0.00 H new ATOM 1095 N VAL A 71 13.163 0.268 5.453 1.00 0.00 N ATOM 1096 CA VAL A 71 14.382 1.118 5.629 1.00 0.00 C ATOM 1097 C VAL A 71 15.167 0.596 6.836 1.00 0.00 C ATOM 1098 O VAL A 71 14.663 0.584 7.948 1.00 0.00 O ATOM 1099 CB VAL A 71 13.959 2.577 5.871 1.00 0.00 C ATOM 1100 CG1 VAL A 71 15.189 3.452 6.142 1.00 0.00 C ATOM 1101 CG2 VAL A 71 13.242 3.110 4.632 1.00 0.00 C ATOM 0 H VAL A 71 12.332 0.611 5.934 1.00 0.00 H new ATOM 0 HA VAL A 71 15.005 1.075 4.735 1.00 0.00 H new ATOM 0 HB VAL A 71 13.296 2.609 6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.873 4.481 6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.711 3.083 7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.859 3.415 5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.942 4.144 4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.914 3.064 3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.358 2.503 4.434 1.00 0.00 H new ATOM 1111 N LYS A 72 16.396 0.169 6.618 1.00 0.00 N ATOM 1112 CA LYS A 72 17.239 -0.358 7.739 1.00 0.00 C ATOM 1113 C LYS A 72 17.370 0.724 8.836 1.00 0.00 C ATOM 1114 O LYS A 72 17.745 1.841 8.524 1.00 0.00 O ATOM 1115 CB LYS A 72 18.631 -0.705 7.210 1.00 0.00 C ATOM 1116 CG LYS A 72 19.231 -1.834 8.052 1.00 0.00 C ATOM 1117 CD LYS A 72 18.688 -3.180 7.566 1.00 0.00 C ATOM 1118 CE LYS A 72 18.923 -4.244 8.642 1.00 0.00 C ATOM 1119 NZ LYS A 72 20.365 -4.265 9.017 1.00 0.00 N ATOM 0 H LYS A 72 16.850 0.165 5.704 1.00 0.00 H new ATOM 0 HA LYS A 72 16.771 -1.250 8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.569 -1.010 6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.275 0.173 7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 72 20.318 -1.820 7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 72 18.983 -1.689 9.103 1.00 0.00 H new ATOM 0 HD2 LYS A 72 17.623 -3.097 7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.182 -3.470 6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.312 -4.030 9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.619 -5.223 8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.593 -5.173 9.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.947 -4.149 8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.563 -3.488 9.680 1.00 0.00 H new ATOM 1133 N PRO A 73 17.060 0.382 10.087 1.00 0.00 N ATOM 1134 CA PRO A 73 17.150 1.343 11.209 1.00 0.00 C ATOM 1135 C PRO A 73 18.606 1.528 11.643 1.00 0.00 C ATOM 1136 O PRO A 73 19.461 0.717 11.323 1.00 0.00 O ATOM 1137 CB PRO A 73 16.330 0.686 12.323 1.00 0.00 C ATOM 1138 CG PRO A 73 16.297 -0.825 12.008 1.00 0.00 C ATOM 1139 CD PRO A 73 16.600 -0.969 10.506 1.00 0.00 C ATOM 0 HA PRO A 73 16.782 2.335 10.947 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.782 0.870 13.298 1.00 0.00 H new ATOM 0 HB3 PRO A 73 15.321 1.098 12.357 1.00 0.00 H new ATOM 0 HG2 PRO A 73 17.035 -1.361 12.605 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.322 -1.250 12.249 1.00 0.00 H new ATOM 0 HD2 PRO A 73 17.367 -1.723 10.326 1.00 0.00 H new ATOM 0 HD3 PRO A 73 15.714 -1.277 9.950 1.00 0.00 H new ATOM 1147 N ARG A 74 18.884 2.595 12.366 1.00 0.00 N ATOM 1148 CA ARG A 74 20.280 2.875 12.836 1.00 0.00 C ATOM 1149 C ARG A 74 21.167 3.161 11.617 1.00 0.00 C ATOM 1150 O ARG A 74 22.347 2.841 11.600 1.00 0.00 O ATOM 1151 CB ARG A 74 20.816 1.662 13.620 1.00 0.00 C ATOM 1152 CG ARG A 74 20.939 2.016 15.106 1.00 0.00 C ATOM 1153 CD ARG A 74 22.345 2.556 15.396 1.00 0.00 C ATOM 1154 NE ARG A 74 22.908 1.857 16.585 1.00 0.00 N ATOM 1155 CZ ARG A 74 23.579 0.749 16.431 1.00 0.00 C ATOM 1156 NH1 ARG A 74 24.693 0.748 15.752 1.00 0.00 N ATOM 1157 NH2 ARG A 74 23.134 -0.360 16.955 1.00 0.00 N ATOM 0 H ARG A 74 18.193 3.289 12.651 1.00 0.00 H new ATOM 0 HA ARG A 74 20.286 3.743 13.496 1.00 0.00 H new ATOM 0 HB2 ARG A 74 20.146 0.811 13.494 1.00 0.00 H new ATOM 0 HB3 ARG A 74 21.788 1.364 13.226 1.00 0.00 H new ATOM 0 HG2 ARG A 74 20.190 2.761 15.375 1.00 0.00 H new ATOM 0 HG3 ARG A 74 20.745 1.134 15.717 1.00 0.00 H new ATOM 0 HD2 ARG A 74 22.991 2.403 14.531 1.00 0.00 H new ATOM 0 HD3 ARG A 74 22.304 3.630 15.577 1.00 0.00 H new ATOM 0 HE ARG A 74 22.769 2.244 17.518 1.00 0.00 H new ATOM 0 HH11 ARG A 74 25.040 1.614 15.341 1.00 0.00 H new ATOM 0 HH12 ARG A 74 25.217 -0.119 15.632 1.00 0.00 H new ATOM 0 HH21 ARG A 74 22.262 -0.360 17.484 1.00 0.00 H new ATOM 0 HH22 ARG A 74 23.658 -1.227 16.835 1.00 0.00 H new ATOM 1171 N LYS A 75 20.591 3.764 10.600 1.00 0.00 N ATOM 1172 CA LYS A 75 21.359 4.091 9.356 1.00 0.00 C ATOM 1173 C LYS A 75 20.588 5.160 8.545 1.00 0.00 C ATOM 1174 O LYS A 75 19.504 5.549 8.947 1.00 0.00 O ATOM 1175 CB LYS A 75 21.536 2.802 8.541 1.00 0.00 C ATOM 1176 CG LYS A 75 23.021 2.419 8.509 1.00 0.00 C ATOM 1177 CD LYS A 75 23.320 1.580 7.267 1.00 0.00 C ATOM 1178 CE LYS A 75 24.772 1.099 7.322 1.00 0.00 C ATOM 1179 NZ LYS A 75 24.913 -0.151 6.523 1.00 0.00 N ATOM 0 H LYS A 75 19.611 4.046 10.581 1.00 0.00 H new ATOM 0 HA LYS A 75 22.341 4.494 9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.951 1.996 8.983 1.00 0.00 H new ATOM 0 HB3 LYS A 75 21.164 2.946 7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 75 23.637 3.318 8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 75 23.279 1.858 9.407 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.643 0.727 7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 75 23.154 2.170 6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 75 25.436 1.870 6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 75 25.067 0.918 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.900 -0.478 6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.290 -0.886 6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.648 0.037 5.535 1.00 0.00 H new ATOM 1193 N PRO A 76 21.165 5.630 7.438 1.00 0.00 N ATOM 1194 CA PRO A 76 20.524 6.673 6.603 1.00 0.00 C ATOM 1195 C PRO A 76 19.310 6.119 5.845 1.00 0.00 C ATOM 1196 O PRO A 76 18.773 5.082 6.197 1.00 0.00 O ATOM 1197 CB PRO A 76 21.643 7.131 5.659 1.00 0.00 C ATOM 1198 CG PRO A 76 22.678 5.988 5.619 1.00 0.00 C ATOM 1199 CD PRO A 76 22.481 5.172 6.910 1.00 0.00 C ATOM 0 HA PRO A 76 20.124 7.499 7.191 1.00 0.00 H new ATOM 0 HB2 PRO A 76 21.251 7.334 4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 76 22.099 8.054 6.017 1.00 0.00 H new ATOM 0 HG2 PRO A 76 22.531 5.362 4.739 1.00 0.00 H new ATOM 0 HG3 PRO A 76 23.692 6.385 5.562 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.477 4.101 6.707 1.00 0.00 H new ATOM 0 HD3 PRO A 76 23.283 5.358 7.624 1.00 0.00 H new ATOM 1207 N CYS A 77 18.860 6.832 4.830 1.00 0.00 N ATOM 1208 CA CYS A 77 17.656 6.406 4.048 1.00 0.00 C ATOM 1209 C CYS A 77 18.000 5.251 3.088 1.00 0.00 C ATOM 1210 O CYS A 77 17.816 5.344 1.879 1.00 0.00 O ATOM 1211 CB CYS A 77 17.111 7.616 3.273 1.00 0.00 C ATOM 1212 SG CYS A 77 15.906 8.494 4.300 1.00 0.00 S ATOM 0 H CYS A 77 19.286 7.702 4.510 1.00 0.00 H new ATOM 0 HA CYS A 77 16.893 6.040 4.735 1.00 0.00 H new ATOM 0 HB2 CYS A 77 17.927 8.284 2.999 1.00 0.00 H new ATOM 0 HB3 CYS A 77 16.643 7.287 2.345 1.00 0.00 H new ATOM 1217 N LYS A 78 18.462 4.146 3.635 1.00 0.00 N ATOM 1218 CA LYS A 78 18.786 2.948 2.797 1.00 0.00 C ATOM 1219 C LYS A 78 17.574 2.019 2.830 1.00 0.00 C ATOM 1220 O LYS A 78 17.190 1.535 3.883 1.00 0.00 O ATOM 1221 CB LYS A 78 20.005 2.225 3.374 1.00 0.00 C ATOM 1222 CG LYS A 78 21.253 2.624 2.587 1.00 0.00 C ATOM 1223 CD LYS A 78 22.456 2.657 3.526 1.00 0.00 C ATOM 1224 CE LYS A 78 23.732 2.876 2.710 1.00 0.00 C ATOM 1225 NZ LYS A 78 23.913 4.330 2.442 1.00 0.00 N ATOM 0 H LYS A 78 18.629 4.025 4.634 1.00 0.00 H new ATOM 0 HA LYS A 78 19.014 3.248 1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 78 20.128 2.481 4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.859 1.146 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 78 21.428 1.915 1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 78 21.109 3.602 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 78 22.338 3.456 4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 78 22.523 1.722 4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 78 24.593 2.486 3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 78 23.673 2.328 1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 24.733 4.468 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 23.060 4.707 1.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 24.073 4.831 3.339 1.00 0.00 H new ATOM 1239 N TYR A 79 16.952 1.798 1.690 1.00 0.00 N ATOM 1240 CA TYR A 79 15.732 0.937 1.635 1.00 0.00 C ATOM 1241 C TYR A 79 16.085 -0.487 1.200 1.00 0.00 C ATOM 1242 O TYR A 79 17.100 -0.722 0.565 1.00 0.00 O ATOM 1243 CB TYR A 79 14.742 1.534 0.634 1.00 0.00 C ATOM 1244 CG TYR A 79 14.091 2.762 1.228 1.00 0.00 C ATOM 1245 CD1 TYR A 79 14.868 3.874 1.584 1.00 0.00 C ATOM 1246 CD2 TYR A 79 12.708 2.783 1.429 1.00 0.00 C ATOM 1247 CE1 TYR A 79 14.256 5.004 2.140 1.00 0.00 C ATOM 1248 CE2 TYR A 79 12.097 3.913 1.983 1.00 0.00 C ATOM 1249 CZ TYR A 79 12.870 5.023 2.340 1.00 0.00 C ATOM 1250 OH TYR A 79 12.267 6.133 2.893 1.00 0.00 O ATOM 0 H TYR A 79 17.244 2.183 0.792 1.00 0.00 H new ATOM 0 HA TYR A 79 15.291 0.897 2.631 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.258 1.796 -0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 79 13.982 0.797 0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.937 3.859 1.430 1.00 0.00 H new ATOM 0 HD2 TYR A 79 12.110 1.926 1.156 1.00 0.00 H new ATOM 0 HE1 TYR A 79 14.853 5.861 2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.028 3.928 2.135 1.00 0.00 H new ATOM 0 HH TYR A 79 11.957 5.920 3.798 1.00 0.00 H new ATOM 1260 N LYS A 80 15.234 -1.426 1.550 1.00 0.00 N ATOM 1261 CA LYS A 80 15.452 -2.861 1.190 1.00 0.00 C ATOM 1262 C LYS A 80 14.171 -3.412 0.550 1.00 0.00 C ATOM 1263 O LYS A 80 13.081 -2.977 0.879 1.00 0.00 O ATOM 1264 CB LYS A 80 15.769 -3.646 2.469 1.00 0.00 C ATOM 1265 CG LYS A 80 16.942 -4.599 2.229 1.00 0.00 C ATOM 1266 CD LYS A 80 16.969 -5.643 3.349 1.00 0.00 C ATOM 1267 CE LYS A 80 18.004 -6.728 3.034 1.00 0.00 C ATOM 1268 NZ LYS A 80 19.181 -6.563 3.933 1.00 0.00 N ATOM 0 H LYS A 80 14.381 -1.251 2.081 1.00 0.00 H new ATOM 0 HA LYS A 80 16.280 -2.956 0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.012 -2.956 3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.892 -4.210 2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.839 -5.088 1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.880 -4.044 2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.211 -5.164 4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.982 -6.093 3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.564 -7.716 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.315 -6.658 1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 19.885 -7.298 3.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 19.604 -5.625 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 18.876 -6.650 4.923 1.00 0.00 H new ATOM 1282 N LEU A 81 14.301 -4.364 -0.354 1.00 0.00 N ATOM 1283 CA LEU A 81 13.097 -4.961 -1.024 1.00 0.00 C ATOM 1284 C LEU A 81 12.755 -6.296 -0.360 1.00 0.00 C ATOM 1285 O LEU A 81 13.634 -7.096 -0.084 1.00 0.00 O ATOM 1286 CB LEU A 81 13.391 -5.197 -2.506 1.00 0.00 C ATOM 1287 CG LEU A 81 12.103 -5.017 -3.316 1.00 0.00 C ATOM 1288 CD1 LEU A 81 12.444 -4.900 -4.802 1.00 0.00 C ATOM 1289 CD2 LEU A 81 11.187 -6.226 -3.102 1.00 0.00 C ATOM 0 H LEU A 81 15.194 -4.753 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 81 12.256 -4.274 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.152 -4.498 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.789 -6.201 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 81 11.595 -4.111 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.527 -4.772 -5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.094 -4.039 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.955 -5.805 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.272 -6.096 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.697 -7.132 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.940 -6.312 -2.044 1.00 0.00 H new ATOM 1301 N LYS A 82 11.481 -6.536 -0.105 1.00 0.00 N ATOM 1302 CA LYS A 82 11.058 -7.818 0.546 1.00 0.00 C ATOM 1303 C LYS A 82 9.755 -8.322 -0.089 1.00 0.00 C ATOM 1304 O LYS A 82 8.832 -7.558 -0.315 1.00 0.00 O ATOM 1305 CB LYS A 82 10.843 -7.572 2.049 1.00 0.00 C ATOM 1306 CG LYS A 82 11.869 -8.372 2.858 1.00 0.00 C ATOM 1307 CD LYS A 82 11.571 -9.869 2.728 1.00 0.00 C ATOM 1308 CE LYS A 82 10.764 -10.340 3.940 1.00 0.00 C ATOM 1309 NZ LYS A 82 11.671 -10.503 5.110 1.00 0.00 N ATOM 0 H LYS A 82 10.719 -5.894 -0.322 1.00 0.00 H new ATOM 0 HA LYS A 82 11.833 -8.571 0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.941 -6.509 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.833 -7.866 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.876 -8.159 2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.834 -8.073 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.014 -10.061 1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.503 -10.431 2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.981 -9.618 4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.270 -11.285 3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.131 -10.369 5.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.083 -11.458 5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.432 -9.796 5.060 1.00 0.00 H new ATOM 1323 N LYS A 83 9.685 -9.611 -0.365 1.00 0.00 N ATOM 1324 CA LYS A 83 8.458 -10.212 -0.977 1.00 0.00 C ATOM 1325 C LYS A 83 7.737 -11.058 0.073 1.00 0.00 C ATOM 1326 O LYS A 83 8.371 -11.658 0.927 1.00 0.00 O ATOM 1327 CB LYS A 83 8.859 -11.109 -2.152 1.00 0.00 C ATOM 1328 CG LYS A 83 9.922 -12.118 -1.696 1.00 0.00 C ATOM 1329 CD LYS A 83 11.301 -11.680 -2.197 1.00 0.00 C ATOM 1330 CE LYS A 83 12.361 -12.678 -1.723 1.00 0.00 C ATOM 1331 NZ LYS A 83 12.668 -13.637 -2.822 1.00 0.00 N ATOM 0 H LYS A 83 10.439 -10.275 -0.188 1.00 0.00 H new ATOM 0 HA LYS A 83 7.801 -9.417 -1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.985 -11.636 -2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.248 -10.501 -2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.926 -12.190 -0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.684 -13.110 -2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.302 -11.623 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.534 -10.682 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.266 -12.149 -1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.002 -13.216 -0.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.388 -14.315 -2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.803 -14.150 -3.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.028 -13.116 -3.647 1.00 0.00 H new ATOM 1345 N SER A 84 6.421 -11.110 0.011 1.00 0.00 N ATOM 1346 CA SER A 84 5.643 -11.918 1.005 1.00 0.00 C ATOM 1347 C SER A 84 4.272 -12.290 0.432 1.00 0.00 C ATOM 1348 O SER A 84 3.916 -11.891 -0.663 1.00 0.00 O ATOM 1349 CB SER A 84 5.460 -11.100 2.286 1.00 0.00 C ATOM 1350 OG SER A 84 5.773 -11.913 3.410 1.00 0.00 O ATOM 0 H SER A 84 5.856 -10.626 -0.687 1.00 0.00 H new ATOM 0 HA SER A 84 6.190 -12.835 1.226 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.106 -10.222 2.266 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.434 -10.739 2.358 1.00 0.00 H new ATOM 0 HG SER A 84 5.659 -11.392 4.232 1.00 0.00 H new ATOM 1356 N SER A 85 3.511 -13.051 1.187 1.00 0.00 N ATOM 1357 CA SER A 85 2.146 -13.477 0.746 1.00 0.00 C ATOM 1358 C SER A 85 1.190 -13.333 1.929 1.00 0.00 C ATOM 1359 O SER A 85 1.306 -14.053 2.908 1.00 0.00 O ATOM 1360 CB SER A 85 2.190 -14.938 0.299 1.00 0.00 C ATOM 1361 OG SER A 85 3.101 -15.072 -0.782 1.00 0.00 O ATOM 0 H SER A 85 3.786 -13.399 2.106 1.00 0.00 H new ATOM 0 HA SER A 85 1.808 -12.859 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.497 -15.575 1.129 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.196 -15.267 -0.005 1.00 0.00 H new ATOM 0 HG SER A 85 3.132 -16.008 -1.069 1.00 0.00 H new ATOM 1367 N ASN A 86 0.259 -12.402 1.852 1.00 0.00 N ATOM 1368 CA ASN A 86 -0.699 -12.195 2.984 1.00 0.00 C ATOM 1369 C ASN A 86 -1.833 -11.262 2.558 1.00 0.00 C ATOM 1370 O ASN A 86 -1.803 -10.691 1.480 1.00 0.00 O ATOM 1371 CB ASN A 86 0.060 -11.568 4.155 1.00 0.00 C ATOM 1372 CG ASN A 86 -0.612 -11.951 5.472 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -0.571 -13.094 5.880 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -1.235 -11.034 6.158 1.00 0.00 N ATOM 0 H ASN A 86 0.125 -11.781 1.054 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.128 -13.154 3.277 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.096 -11.908 4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.080 -10.483 4.048 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.689 -11.276 7.039 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.269 -10.074 5.814 1.00 0.00 H new ATOM 1381 N ARG A 87 -2.824 -11.109 3.412 1.00 0.00 N ATOM 1382 CA ARG A 87 -3.984 -10.214 3.105 1.00 0.00 C ATOM 1383 C ARG A 87 -3.711 -8.814 3.660 1.00 0.00 C ATOM 1384 O ARG A 87 -2.654 -8.557 4.216 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.254 -10.774 3.756 1.00 0.00 C ATOM 1386 CG ARG A 87 -5.014 -11.012 5.257 1.00 0.00 C ATOM 1387 CD ARG A 87 -5.022 -12.515 5.562 1.00 0.00 C ATOM 1388 NE ARG A 87 -5.838 -12.767 6.785 1.00 0.00 N ATOM 1389 CZ ARG A 87 -7.071 -13.185 6.677 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -7.845 -12.710 5.738 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -7.531 -14.077 7.512 1.00 0.00 N ATOM 0 H ARG A 87 -2.875 -11.574 4.319 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.120 -10.161 2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.081 -10.078 3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.539 -11.708 3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.059 -10.578 5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.786 -10.511 5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.433 -13.067 4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.003 -12.873 5.711 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.432 -12.613 7.708 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.487 -12.011 5.087 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.807 -13.038 5.656 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.928 -14.446 8.247 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.493 -14.405 7.429 1.00 0.00 H new ATOM 1405 N ILE A 88 -4.659 -7.915 3.510 1.00 0.00 N ATOM 1406 CA ILE A 88 -4.480 -6.519 4.019 1.00 0.00 C ATOM 1407 C ILE A 88 -5.829 -5.940 4.431 1.00 0.00 C ATOM 1408 O ILE A 88 -6.834 -6.151 3.771 1.00 0.00 O ATOM 1409 CB ILE A 88 -3.869 -5.638 2.925 1.00 0.00 C ATOM 1410 CG1 ILE A 88 -4.641 -5.828 1.611 1.00 0.00 C ATOM 1411 CG2 ILE A 88 -2.403 -6.021 2.718 1.00 0.00 C ATOM 1412 CD1 ILE A 88 -4.435 -4.612 0.702 1.00 0.00 C ATOM 0 H ILE A 88 -5.554 -8.092 3.053 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.814 -6.543 4.882 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.932 -4.593 3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.299 -6.732 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.703 -5.961 1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.969 -5.393 1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.854 -5.876 3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.339 -7.067 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.986 -4.755 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.799 -3.716 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.374 -4.499 0.481 1.00 0.00 H new ATOM 1424 N CYS A 89 -5.839 -5.198 5.514 1.00 0.00 N ATOM 1425 CA CYS A 89 -7.092 -4.559 6.011 1.00 0.00 C ATOM 1426 C CYS A 89 -7.099 -3.111 5.524 1.00 0.00 C ATOM 1427 O CYS A 89 -6.245 -2.328 5.900 1.00 0.00 O ATOM 1428 CB CYS A 89 -7.102 -4.600 7.542 1.00 0.00 C ATOM 1429 SG CYS A 89 -8.719 -4.070 8.162 1.00 0.00 S ATOM 0 H CYS A 89 -5.014 -5.007 6.082 1.00 0.00 H new ATOM 0 HA CYS A 89 -7.973 -5.083 5.641 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.883 -5.610 7.889 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.321 -3.951 7.937 1.00 0.00 H new ATOM 0 HG CYS A 89 -8.720 -4.110 9.461 1.00 0.00 H new ATOM 1434 N ILE A 90 -8.034 -2.770 4.662 1.00 0.00 N ATOM 1435 CA ILE A 90 -8.091 -1.381 4.097 1.00 0.00 C ATOM 1436 C ILE A 90 -9.406 -0.690 4.464 1.00 0.00 C ATOM 1437 O ILE A 90 -10.423 -1.334 4.657 1.00 0.00 O ATOM 1438 CB ILE A 90 -7.988 -1.464 2.571 1.00 0.00 C ATOM 1439 CG1 ILE A 90 -9.042 -2.447 2.045 1.00 0.00 C ATOM 1440 CG2 ILE A 90 -6.594 -1.952 2.173 1.00 0.00 C ATOM 1441 CD1 ILE A 90 -9.455 -2.049 0.629 1.00 0.00 C ATOM 0 H ILE A 90 -8.763 -3.399 4.325 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.266 -0.803 4.513 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.159 -0.477 2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.641 -3.460 2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.912 -2.448 2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.525 -2.010 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.844 -1.256 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.418 -2.939 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -10.204 -2.749 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.874 -1.043 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.583 -2.071 -0.024 1.00 0.00 H new ATOM 1453 N ARG A 91 -9.381 0.628 4.520 1.00 0.00 N ATOM 1454 CA ARG A 91 -10.610 1.420 4.828 1.00 0.00 C ATOM 1455 C ARG A 91 -11.167 1.927 3.501 1.00 0.00 C ATOM 1456 O ARG A 91 -10.497 2.663 2.788 1.00 0.00 O ATOM 1457 CB ARG A 91 -10.253 2.607 5.726 1.00 0.00 C ATOM 1458 CG ARG A 91 -11.537 3.246 6.264 1.00 0.00 C ATOM 1459 CD ARG A 91 -11.343 4.757 6.397 1.00 0.00 C ATOM 1460 NE ARG A 91 -10.823 5.073 7.756 1.00 0.00 N ATOM 1461 CZ ARG A 91 -9.967 6.045 7.916 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -10.383 7.282 7.928 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -8.696 5.782 8.057 1.00 0.00 N ATOM 0 H ARG A 91 -8.545 1.190 4.362 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.345 0.805 5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.625 2.275 6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.677 3.342 5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.369 3.034 5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.791 2.815 7.233 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.647 5.113 5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.289 5.272 6.229 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.136 4.530 8.561 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.375 7.487 7.812 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.716 8.043 8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.371 4.815 8.042 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.029 6.543 8.182 1.00 0.00 H new ATOM 1477 N CYS A 92 -12.366 1.511 3.149 1.00 0.00 N ATOM 1478 CA CYS A 92 -12.956 1.934 1.840 1.00 0.00 C ATOM 1479 C CYS A 92 -14.225 2.764 2.030 1.00 0.00 C ATOM 1480 O CYS A 92 -15.020 2.525 2.921 1.00 0.00 O ATOM 1481 CB CYS A 92 -13.290 0.690 1.014 1.00 0.00 C ATOM 1482 SG CYS A 92 -13.476 1.159 -0.723 1.00 0.00 S ATOM 0 H CYS A 92 -12.957 0.899 3.712 1.00 0.00 H new ATOM 0 HA CYS A 92 -12.222 2.554 1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.500 -0.054 1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -14.209 0.232 1.380 1.00 0.00 H new ATOM 1487 N GLU A 93 -14.408 3.724 1.153 1.00 0.00 N ATOM 1488 CA GLU A 93 -15.613 4.610 1.172 1.00 0.00 C ATOM 1489 C GLU A 93 -15.763 5.199 -0.229 1.00 0.00 C ATOM 1490 O GLU A 93 -14.783 5.590 -0.842 1.00 0.00 O ATOM 1491 CB GLU A 93 -15.451 5.733 2.201 1.00 0.00 C ATOM 1492 CG GLU A 93 -14.058 6.363 2.082 1.00 0.00 C ATOM 1493 CD GLU A 93 -14.119 7.825 2.529 1.00 0.00 C ATOM 1494 OE1 GLU A 93 -14.642 8.075 3.603 1.00 0.00 O ATOM 1495 OE2 GLU A 93 -13.642 8.669 1.788 1.00 0.00 O ATOM 0 H GLU A 93 -13.750 3.934 0.403 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.497 4.038 1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -16.216 6.493 2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.595 5.338 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.345 5.813 2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.706 6.301 1.052 1.00 0.00 H new ATOM 1502 N HIS A 94 -16.970 5.223 -0.754 1.00 0.00 N ATOM 1503 CA HIS A 94 -17.192 5.738 -2.145 1.00 0.00 C ATOM 1504 C HIS A 94 -16.435 4.810 -3.110 1.00 0.00 C ATOM 1505 O HIS A 94 -15.953 5.231 -4.153 1.00 0.00 O ATOM 1506 CB HIS A 94 -16.646 7.172 -2.281 1.00 0.00 C ATOM 1507 CG HIS A 94 -17.111 8.025 -1.133 1.00 0.00 C ATOM 1508 ND1 HIS A 94 -18.368 8.608 -1.099 1.00 0.00 N ATOM 1509 CD2 HIS A 94 -16.487 8.411 0.025 1.00 0.00 C ATOM 1510 CE1 HIS A 94 -18.459 9.309 0.045 1.00 0.00 C ATOM 1511 NE2 HIS A 94 -17.340 9.223 0.769 1.00 0.00 N ATOM 0 H HIS A 94 -17.813 4.906 -0.275 1.00 0.00 H new ATOM 0 HA HIS A 94 -18.258 5.755 -2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -15.557 7.151 -2.308 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -16.980 7.607 -3.223 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -15.486 8.128 0.316 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -19.331 9.873 0.342 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.151 9.658 1.672 1.00 0.00 H new ATOM 1519 N GLU A 95 -16.313 3.542 -2.748 1.00 0.00 N ATOM 1520 CA GLU A 95 -15.570 2.563 -3.601 1.00 0.00 C ATOM 1521 C GLU A 95 -14.107 3.036 -3.698 1.00 0.00 C ATOM 1522 O GLU A 95 -13.483 2.981 -4.751 1.00 0.00 O ATOM 1523 CB GLU A 95 -16.214 2.501 -4.999 1.00 0.00 C ATOM 1524 CG GLU A 95 -17.732 2.335 -4.867 1.00 0.00 C ATOM 1525 CD GLU A 95 -18.416 3.690 -5.052 1.00 0.00 C ATOM 1526 OE1 GLU A 95 -18.112 4.356 -6.028 1.00 0.00 O ATOM 1527 OE2 GLU A 95 -19.232 4.040 -4.215 1.00 0.00 O ATOM 0 H GLU A 95 -16.702 3.150 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 95 -15.608 1.564 -3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -15.986 3.410 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.796 1.668 -5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -18.096 1.628 -5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -17.979 1.923 -3.889 1.00 0.00 H new ATOM 1534 N LEU A 96 -13.575 3.531 -2.593 1.00 0.00 N ATOM 1535 CA LEU A 96 -12.174 4.057 -2.579 1.00 0.00 C ATOM 1536 C LEU A 96 -11.420 3.636 -1.289 1.00 0.00 C ATOM 1537 O LEU A 96 -11.745 4.136 -0.226 1.00 0.00 O ATOM 1538 CB LEU A 96 -12.255 5.594 -2.614 1.00 0.00 C ATOM 1539 CG LEU A 96 -11.474 6.143 -3.803 1.00 0.00 C ATOM 1540 CD1 LEU A 96 -12.363 6.121 -5.049 1.00 0.00 C ATOM 1541 CD2 LEU A 96 -11.052 7.584 -3.502 1.00 0.00 C ATOM 0 H LEU A 96 -14.061 3.590 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.634 3.654 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.297 5.908 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.856 6.006 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.590 5.530 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.806 6.513 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -12.671 5.097 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.245 6.738 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -10.493 7.984 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.939 8.195 -3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.424 7.601 -2.611 1.00 0.00 H new ATOM 1553 N PRO A 97 -10.400 2.785 -1.412 1.00 0.00 N ATOM 1554 CA PRO A 97 -9.572 2.382 -0.257 1.00 0.00 C ATOM 1555 C PRO A 97 -8.562 3.509 -0.022 1.00 0.00 C ATOM 1556 O PRO A 97 -7.510 3.555 -0.641 1.00 0.00 O ATOM 1557 CB PRO A 97 -8.892 1.090 -0.721 1.00 0.00 C ATOM 1558 CG PRO A 97 -8.904 1.123 -2.267 1.00 0.00 C ATOM 1559 CD PRO A 97 -9.976 2.150 -2.684 1.00 0.00 C ATOM 0 HA PRO A 97 -10.115 2.217 0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.872 1.030 -0.341 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -9.424 0.215 -0.347 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.926 1.407 -2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -9.134 0.138 -2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.571 2.886 -3.379 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.815 1.666 -3.185 1.00 0.00 H new ATOM 1567 N VAL A 98 -8.926 4.454 0.816 1.00 0.00 N ATOM 1568 CA VAL A 98 -8.059 5.650 1.059 1.00 0.00 C ATOM 1569 C VAL A 98 -7.115 5.460 2.249 1.00 0.00 C ATOM 1570 O VAL A 98 -6.131 6.177 2.364 1.00 0.00 O ATOM 1571 CB VAL A 98 -8.973 6.851 1.321 1.00 0.00 C ATOM 1572 CG1 VAL A 98 -9.886 7.050 0.111 1.00 0.00 C ATOM 1573 CG2 VAL A 98 -9.839 6.588 2.565 1.00 0.00 C ATOM 0 H VAL A 98 -9.797 4.445 1.347 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.434 5.805 0.180 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.365 7.741 1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.542 7.903 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.280 7.235 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.488 6.155 -0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.487 7.446 2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.450 5.700 2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.195 6.431 3.430 1.00 0.00 H new ATOM 1583 N HIS A 99 -7.408 4.540 3.143 1.00 0.00 N ATOM 1584 CA HIS A 99 -6.525 4.354 4.340 1.00 0.00 C ATOM 1585 C HIS A 99 -6.168 2.884 4.550 1.00 0.00 C ATOM 1586 O HIS A 99 -7.002 2.006 4.424 1.00 0.00 O ATOM 1587 CB HIS A 99 -7.246 4.888 5.578 1.00 0.00 C ATOM 1588 CG HIS A 99 -6.932 6.350 5.743 1.00 0.00 C ATOM 1589 ND1 HIS A 99 -7.906 7.331 5.646 1.00 0.00 N ATOM 1590 CD2 HIS A 99 -5.755 7.012 5.988 1.00 0.00 C ATOM 1591 CE1 HIS A 99 -7.302 8.521 5.831 1.00 0.00 C ATOM 1592 NE2 HIS A 99 -5.991 8.382 6.044 1.00 0.00 N ATOM 0 H HIS A 99 -8.213 3.916 3.095 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.598 4.902 4.173 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.322 4.744 5.477 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.932 4.335 6.463 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.792 6.541 6.118 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.815 9.471 5.810 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -5.309 9.122 6.212 1.00 0.00 H new ATOM 1600 N PHE A 100 -4.924 2.638 4.895 1.00 0.00 N ATOM 1601 CA PHE A 100 -4.441 1.249 5.157 1.00 0.00 C ATOM 1602 C PHE A 100 -4.643 0.945 6.644 1.00 0.00 C ATOM 1603 O PHE A 100 -3.946 1.483 7.488 1.00 0.00 O ATOM 1604 CB PHE A 100 -2.953 1.162 4.807 1.00 0.00 C ATOM 1605 CG PHE A 100 -2.465 -0.258 4.961 1.00 0.00 C ATOM 1606 CD1 PHE A 100 -2.739 -1.204 3.966 1.00 0.00 C ATOM 1607 CD2 PHE A 100 -1.728 -0.625 6.093 1.00 0.00 C ATOM 1608 CE1 PHE A 100 -2.276 -2.518 4.104 1.00 0.00 C ATOM 1609 CE2 PHE A 100 -1.266 -1.939 6.231 1.00 0.00 C ATOM 1610 CZ PHE A 100 -1.540 -2.885 5.237 1.00 0.00 C ATOM 0 H PHE A 100 -4.212 3.359 5.007 1.00 0.00 H new ATOM 0 HA PHE A 100 -4.992 0.529 4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.792 1.501 3.784 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.380 1.824 5.456 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.307 -0.920 3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.516 0.105 6.860 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.487 -3.248 3.337 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.698 -2.223 7.105 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.184 -3.899 5.344 1.00 0.00 H new ATOM 1620 N ALA A 101 -5.598 0.097 6.960 1.00 0.00 N ATOM 1621 CA ALA A 101 -5.882 -0.252 8.388 1.00 0.00 C ATOM 1622 C ALA A 101 -4.727 -1.075 8.949 1.00 0.00 C ATOM 1623 O ALA A 101 -4.271 -0.839 10.058 1.00 0.00 O ATOM 1624 CB ALA A 101 -7.170 -1.072 8.463 1.00 0.00 C ATOM 0 H ALA A 101 -6.197 -0.371 6.280 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.995 0.662 8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.379 -1.327 9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.997 -0.488 8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.054 -1.986 7.881 1.00 0.00 H new ATOM 1630 N GLY A 102 -4.260 -2.035 8.185 1.00 0.00 N ATOM 1631 CA GLY A 102 -3.129 -2.898 8.647 1.00 0.00 C ATOM 1632 C GLY A 102 -2.989 -4.114 7.733 1.00 0.00 C ATOM 1633 O GLY A 102 -3.527 -4.143 6.639 1.00 0.00 O ATOM 0 H GLY A 102 -4.617 -2.258 7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.201 -2.325 8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.304 -3.223 9.673 1.00 0.00 H new ATOM 1637 N VAL A 103 -2.259 -5.108 8.187 1.00 0.00 N ATOM 1638 CA VAL A 103 -2.040 -6.348 7.378 1.00 0.00 C ATOM 1639 C VAL A 103 -2.456 -7.577 8.197 1.00 0.00 C ATOM 1640 O VAL A 103 -2.334 -7.589 9.411 1.00 0.00 O ATOM 1641 CB VAL A 103 -0.552 -6.433 7.007 1.00 0.00 C ATOM 1642 CG1 VAL A 103 0.302 -6.465 8.278 1.00 0.00 C ATOM 1643 CG2 VAL A 103 -0.285 -7.695 6.180 1.00 0.00 C ATOM 0 H VAL A 103 -1.800 -5.110 9.098 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.642 -6.318 6.470 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.289 -5.556 6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.356 -6.525 8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.128 -5.558 8.857 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.031 -7.335 8.877 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.773 -7.744 5.923 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.559 -8.576 6.761 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.879 -7.664 5.267 1.00 0.00 H new ATOM 1653 N GLY A 104 -2.933 -8.608 7.528 1.00 0.00 N ATOM 1654 CA GLY A 104 -3.355 -9.862 8.233 1.00 0.00 C ATOM 1655 C GLY A 104 -4.692 -9.645 8.948 1.00 0.00 C ATOM 1656 O GLY A 104 -5.745 -9.927 8.399 1.00 0.00 O ATOM 0 H GLY A 104 -3.047 -8.631 6.515 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.447 -10.677 7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.593 -10.156 8.954 1.00 0.00 H new ATOM 1660 N ILE A 105 -4.647 -9.163 10.173 1.00 0.00 N ATOM 1661 CA ILE A 105 -5.900 -8.932 10.960 1.00 0.00 C ATOM 1662 C ILE A 105 -6.102 -7.435 11.199 1.00 0.00 C ATOM 1663 O ILE A 105 -5.188 -6.644 11.041 1.00 0.00 O ATOM 1664 CB ILE A 105 -5.790 -9.652 12.306 1.00 0.00 C ATOM 1665 CG1 ILE A 105 -4.510 -9.208 13.018 1.00 0.00 C ATOM 1666 CG2 ILE A 105 -5.743 -11.164 12.077 1.00 0.00 C ATOM 1667 CD1 ILE A 105 -4.567 -9.637 14.484 1.00 0.00 C ATOM 0 H ILE A 105 -3.786 -8.919 10.662 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.751 -9.320 10.401 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.656 -9.404 12.920 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.639 -9.649 12.533 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.399 -8.126 12.949 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.665 -11.675 13.037 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.653 -11.484 11.569 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.878 -11.412 11.462 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.655 -9.321 14.991 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.429 -9.175 14.965 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.657 -10.722 14.542 1.00 0.00 H new