USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 493 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 22 THR OG1 : rot -140:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 150:sc= -1.2 (180deg=-1.86!) USER MOD Single : A 5 MET CE :methyl -144:sc= -2.55 (180deg=-3.79) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.91) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc=-0.00047 (180deg=-0.147) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.911 K(o=-0.91,f=-4.2!) USER MOD Single : A 35 SER OG : rot -50:sc= 0.0199 USER MOD Single : A 38 GLN : amide:sc= -9.11! C(o=-9.1!,f=-5!) USER MOD Single : A 39 ASN : amide:sc= -5.67! K(o=-5.7!,f=-4) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.148) USER MOD Single : A 44 SER OG : rot 52:sc= 0.16 USER MOD Single : A 49 GLN : amide:sc= -0.836 X(o=-0.84,f=-0.59) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -1.45 USER MOD Single : A 54 THR OG1 : rot -68:sc= 1.06 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.0446 X(o=-0.045,f=-0.49) USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00349 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -13.409 -0.953 12.607 1.00 0.00 N ATOM 2 CA SER A 2 -12.639 -0.953 11.375 1.00 0.00 C ATOM 3 C SER A 2 -11.164 -0.708 11.700 1.00 0.00 C ATOM 4 O SER A 2 -10.733 0.453 11.641 1.00 0.00 O ATOM 5 CB SER A 2 -13.150 0.105 10.395 1.00 0.00 C ATOM 6 OG SER A 2 -14.015 -0.453 9.410 1.00 0.00 O ATOM 0 HA SER A 2 -12.753 -1.925 10.896 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.681 0.882 10.945 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.303 0.584 9.904 1.00 0.00 H new ATOM 0 HG SER A 2 -14.321 0.254 8.805 1.00 0.00 H new ATOM 12 N GLY A 3 -10.433 -1.787 12.031 1.00 0.00 N ATOM 13 CA GLY A 3 -9.021 -1.688 12.361 1.00 0.00 C ATOM 14 C GLY A 3 -8.193 -1.802 11.080 1.00 0.00 C ATOM 15 O GLY A 3 -7.151 -2.473 11.109 1.00 0.00 O ATOM 0 H GLY A 3 -10.808 -2.735 12.074 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -8.817 -0.739 12.856 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -8.743 -2.478 13.059 1.00 0.00 H new ATOM 19 N LYS A 4 -8.664 -1.156 9.999 1.00 0.00 N ATOM 20 CA LYS A 4 -7.972 -1.185 8.722 1.00 0.00 C ATOM 21 C LYS A 4 -7.757 0.248 8.230 1.00 0.00 C ATOM 22 O LYS A 4 -8.455 1.149 8.716 1.00 0.00 O ATOM 23 CB LYS A 4 -8.722 -2.071 7.725 1.00 0.00 C ATOM 24 CG LYS A 4 -8.263 -3.527 7.832 1.00 0.00 C ATOM 25 CD LYS A 4 -9.065 -4.278 8.898 1.00 0.00 C ATOM 26 CE LYS A 4 -10.559 -4.263 8.571 1.00 0.00 C ATOM 27 NZ LYS A 4 -11.262 -3.282 9.414 1.00 0.00 N ATOM 0 H LYS A 4 -9.525 -0.609 9.996 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.986 -1.636 8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.794 -2.009 7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.554 -1.707 6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.381 -4.021 6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.202 -3.560 8.079 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.714 -5.308 8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.898 -3.821 9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.704 -4.018 7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.982 -5.255 8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.084 -2.907 8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.583 -3.743 10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.617 -2.502 9.650 1.00 0.00 H new ATOM 41 N MET A 5 -6.810 0.426 7.291 1.00 0.00 N ATOM 42 CA MET A 5 -6.509 1.737 6.741 1.00 0.00 C ATOM 43 C MET A 5 -6.323 1.620 5.227 1.00 0.00 C ATOM 44 O MET A 5 -5.693 0.649 4.784 1.00 0.00 O ATOM 45 CB MET A 5 -5.232 2.298 7.371 1.00 0.00 C ATOM 46 CG MET A 5 -4.230 1.180 7.666 1.00 0.00 C ATOM 47 SD MET A 5 -2.741 1.870 8.446 1.00 0.00 S ATOM 48 CE MET A 5 -2.612 0.782 9.896 1.00 0.00 C ATOM 0 H MET A 5 -6.246 -0.330 6.904 1.00 0.00 H new ATOM 0 HA MET A 5 -7.336 2.413 6.961 1.00 0.00 H new ATOM 0 HB2 MET A 5 -4.781 3.028 6.699 1.00 0.00 H new ATOM 0 HB3 MET A 5 -5.478 2.824 8.294 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.684 0.438 8.323 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.962 0.667 6.742 1.00 0.00 H new ATOM 0 HE1 MET A 5 -2.248 1.355 10.749 1.00 0.00 H new ATOM 0 HE2 MET A 5 -3.593 0.368 10.128 1.00 0.00 H new ATOM 0 HE3 MET A 5 -1.917 -0.030 9.681 1.00 0.00 H new ATOM 58 N THR A 6 -6.867 2.596 4.477 1.00 0.00 N ATOM 59 CA THR A 6 -6.761 2.601 3.028 1.00 0.00 C ATOM 60 C THR A 6 -5.555 3.445 2.612 1.00 0.00 C ATOM 61 O THR A 6 -5.127 4.295 3.407 1.00 0.00 O ATOM 62 CB THR A 6 -8.083 3.102 2.443 1.00 0.00 C ATOM 63 OG1 THR A 6 -8.120 4.481 2.799 1.00 0.00 O ATOM 64 CG2 THR A 6 -9.301 2.503 3.151 1.00 0.00 C ATOM 0 H THR A 6 -7.383 3.387 4.862 1.00 0.00 H new ATOM 0 HA THR A 6 -6.591 1.599 2.635 1.00 0.00 H new ATOM 0 HB THR A 6 -8.124 2.860 1.381 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.945 4.885 2.457 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.213 2.891 2.697 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.281 1.418 3.054 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.278 2.773 4.207 1.00 0.00 H new ATOM 72 N GLY A 7 -5.039 3.200 1.394 1.00 0.00 N ATOM 73 CA GLY A 7 -3.894 3.932 0.881 1.00 0.00 C ATOM 74 C GLY A 7 -3.677 3.567 -0.589 1.00 0.00 C ATOM 75 O GLY A 7 -4.626 3.083 -1.222 1.00 0.00 O ATOM 0 H GLY A 7 -5.407 2.496 0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.059 5.005 0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.004 3.691 1.462 1.00 0.00 H new ATOM 79 N ILE A 8 -2.453 3.802 -1.094 1.00 0.00 N ATOM 80 CA ILE A 8 -2.118 3.499 -2.475 1.00 0.00 C ATOM 81 C ILE A 8 -0.642 3.107 -2.563 1.00 0.00 C ATOM 82 O ILE A 8 0.182 3.758 -1.905 1.00 0.00 O ATOM 83 CB ILE A 8 -2.500 4.667 -3.387 1.00 0.00 C ATOM 84 CG1 ILE A 8 -1.277 5.526 -3.718 1.00 0.00 C ATOM 85 CG2 ILE A 8 -3.632 5.493 -2.774 1.00 0.00 C ATOM 86 CD1 ILE A 8 -1.698 6.923 -4.180 1.00 0.00 C ATOM 0 H ILE A 8 -1.685 4.202 -0.555 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.696 2.646 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.872 4.260 -4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.636 5.607 -2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.689 5.043 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.884 6.317 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.508 4.860 -2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.312 5.892 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.811 7.513 -4.409 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.318 6.840 -5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.265 7.413 -3.388 1.00 0.00 H new ATOM 98 N VAL A 9 -0.342 2.067 -3.362 1.00 0.00 N ATOM 99 CA VAL A 9 1.022 1.595 -3.532 1.00 0.00 C ATOM 100 C VAL A 9 1.712 2.425 -4.616 1.00 0.00 C ATOM 101 O VAL A 9 1.088 2.671 -5.659 1.00 0.00 O ATOM 102 CB VAL A 9 1.022 0.095 -3.837 1.00 0.00 C ATOM 103 CG1 VAL A 9 0.393 -0.187 -5.203 1.00 0.00 C ATOM 104 CG2 VAL A 9 2.438 -0.480 -3.757 1.00 0.00 C ATOM 0 H VAL A 9 -1.036 1.544 -3.896 1.00 0.00 H new ATOM 0 HA VAL A 9 1.590 1.726 -2.611 1.00 0.00 H new ATOM 0 HB VAL A 9 0.415 -0.401 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.406 -1.260 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.637 0.171 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.961 0.327 -5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.410 -1.547 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.077 0.024 -4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.837 -0.327 -2.754 1.00 0.00 H new ATOM 114 N LYS A 10 2.966 2.835 -4.353 1.00 0.00 N ATOM 115 CA LYS A 10 3.731 3.630 -5.299 1.00 0.00 C ATOM 116 C LYS A 10 4.691 2.718 -6.066 1.00 0.00 C ATOM 117 O LYS A 10 4.569 2.637 -7.297 1.00 0.00 O ATOM 118 CB LYS A 10 4.424 4.792 -4.584 1.00 0.00 C ATOM 119 CG LYS A 10 3.461 5.961 -4.375 1.00 0.00 C ATOM 120 CD LYS A 10 4.222 7.248 -4.051 1.00 0.00 C ATOM 121 CE LYS A 10 5.487 6.948 -3.244 1.00 0.00 C ATOM 122 NZ LYS A 10 5.902 8.134 -2.477 1.00 0.00 N ATOM 0 H LYS A 10 3.462 2.622 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 10 3.070 4.088 -6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.806 4.455 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.282 5.123 -5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.860 6.106 -5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.772 5.728 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.489 7.760 -4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.578 7.923 -3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.304 6.115 -2.566 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.290 6.642 -3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.762 7.914 -1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.096 8.919 -3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.141 8.408 -1.823 1.00 0.00 H new ATOM 136 N TRP A 11 5.610 2.062 -5.336 1.00 0.00 N ATOM 137 CA TRP A 11 6.579 1.167 -5.944 1.00 0.00 C ATOM 138 C TRP A 11 6.501 -0.201 -5.263 1.00 0.00 C ATOM 139 O TRP A 11 6.038 -0.262 -4.115 1.00 0.00 O ATOM 140 CB TRP A 11 7.979 1.783 -5.889 1.00 0.00 C ATOM 141 CG TRP A 11 7.983 3.302 -5.711 1.00 0.00 C ATOM 142 CD1 TRP A 11 8.237 4.002 -4.597 1.00 0.00 C ATOM 143 CD2 TRP A 11 7.709 4.288 -6.729 1.00 0.00 C ATOM 144 NE1 TRP A 11 8.147 5.361 -4.822 1.00 0.00 N ATOM 145 CE2 TRP A 11 7.816 5.540 -6.160 1.00 0.00 C ATOM 146 CE3 TRP A 11 7.382 4.126 -8.087 1.00 0.00 C ATOM 147 CZ2 TRP A 11 7.611 6.727 -6.873 1.00 0.00 C ATOM 148 CZ3 TRP A 11 7.180 5.322 -8.787 1.00 0.00 C ATOM 149 CH2 TRP A 11 7.284 6.590 -8.228 1.00 0.00 C ATOM 0 H TRP A 11 5.693 2.143 -4.323 1.00 0.00 H new ATOM 0 HA TRP A 11 6.348 1.021 -6.999 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.532 1.330 -5.067 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.511 1.534 -6.807 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.481 3.559 -3.643 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.296 6.098 -4.133 1.00 0.00 H new ATOM 0 HE3 TRP A 11 7.294 3.156 -8.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.700 7.696 -6.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.926 5.254 -9.834 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.113 7.466 -8.836 1.00 0.00 H new ATOM 160 N PHE A 12 6.948 -1.253 -5.972 1.00 0.00 N ATOM 161 CA PHE A 12 6.928 -2.605 -5.439 1.00 0.00 C ATOM 162 C PHE A 12 7.751 -3.519 -6.348 1.00 0.00 C ATOM 163 O PHE A 12 7.501 -3.525 -7.562 1.00 0.00 O ATOM 164 CB PHE A 12 5.469 -3.094 -5.349 1.00 0.00 C ATOM 165 CG PHE A 12 5.167 -4.344 -6.163 1.00 0.00 C ATOM 166 CD1 PHE A 12 4.757 -4.237 -7.513 1.00 0.00 C ATOM 167 CD2 PHE A 12 5.288 -5.622 -5.571 1.00 0.00 C ATOM 168 CE1 PHE A 12 4.474 -5.398 -8.263 1.00 0.00 C ATOM 169 CE2 PHE A 12 5.005 -6.783 -6.322 1.00 0.00 C ATOM 170 CZ PHE A 12 4.598 -6.671 -7.668 1.00 0.00 C ATOM 0 H PHE A 12 7.326 -1.181 -6.917 1.00 0.00 H new ATOM 0 HA PHE A 12 7.365 -2.622 -4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.230 -3.291 -4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.810 -2.292 -5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.660 -3.264 -7.971 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.598 -5.710 -4.540 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.162 -5.312 -9.293 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.100 -7.757 -5.866 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.381 -7.559 -8.243 1.00 0.00 H new ATOM 180 N ASN A 13 8.702 -4.262 -5.753 1.00 0.00 N ATOM 181 CA ASN A 13 9.552 -5.170 -6.504 1.00 0.00 C ATOM 182 C ASN A 13 9.173 -6.613 -6.167 1.00 0.00 C ATOM 183 O ASN A 13 8.999 -6.915 -4.977 1.00 0.00 O ATOM 184 CB ASN A 13 11.026 -4.971 -6.142 1.00 0.00 C ATOM 185 CG ASN A 13 11.431 -3.502 -6.278 1.00 0.00 C ATOM 186 OD1 ASN A 13 11.916 -2.877 -5.350 1.00 0.00 O ATOM 187 ND2 ASN A 13 11.204 -2.988 -7.484 1.00 0.00 N ATOM 0 H ASN A 13 8.892 -4.243 -4.751 1.00 0.00 H new ATOM 0 HA ASN A 13 9.410 -4.965 -7.565 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.202 -5.307 -5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.650 -5.585 -6.791 1.00 0.00 H new ATOM 0 HD21 ASN A 13 11.439 -2.014 -7.676 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.795 -3.568 -8.217 1.00 0.00 H new ATOM 194 N ALA A 14 9.054 -7.462 -7.203 1.00 0.00 N ATOM 195 CA ALA A 14 8.699 -8.859 -7.018 1.00 0.00 C ATOM 196 C ALA A 14 9.952 -9.724 -7.171 1.00 0.00 C ATOM 197 O ALA A 14 9.900 -10.907 -6.803 1.00 0.00 O ATOM 198 CB ALA A 14 7.737 -9.297 -8.124 1.00 0.00 C ATOM 0 H ALA A 14 9.201 -7.193 -8.176 1.00 0.00 H new ATOM 0 HA ALA A 14 8.248 -8.973 -6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.473 -10.345 -7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.835 -8.687 -8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.217 -9.172 -9.095 1.00 0.00 H new ATOM 204 N ASP A 15 11.034 -9.128 -7.702 1.00 0.00 N ATOM 205 CA ASP A 15 12.286 -9.839 -7.901 1.00 0.00 C ATOM 206 C ASP A 15 12.963 -10.059 -6.546 1.00 0.00 C ATOM 207 O ASP A 15 13.562 -11.127 -6.353 1.00 0.00 O ATOM 208 CB ASP A 15 13.242 -9.034 -8.783 1.00 0.00 C ATOM 209 CG ASP A 15 13.165 -7.517 -8.603 1.00 0.00 C ATOM 210 OD1 ASP A 15 12.130 -6.892 -8.881 1.00 0.00 O ATOM 211 OD2 ASP A 15 14.241 -6.965 -8.152 1.00 0.00 O ATOM 0 H ASP A 15 11.055 -8.152 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 15 12.062 -10.789 -8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.262 -9.358 -8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.037 -9.272 -9.827 1.00 0.00 H new ATOM 216 N LYS A 16 12.857 -9.061 -5.651 1.00 0.00 N ATOM 217 CA LYS A 16 13.455 -9.145 -4.329 1.00 0.00 C ATOM 218 C LYS A 16 12.411 -9.655 -3.334 1.00 0.00 C ATOM 219 O LYS A 16 12.776 -10.443 -2.449 1.00 0.00 O ATOM 220 CB LYS A 16 14.076 -7.803 -3.936 1.00 0.00 C ATOM 221 CG LYS A 16 13.033 -6.685 -3.971 1.00 0.00 C ATOM 222 CD LYS A 16 13.552 -5.428 -3.270 1.00 0.00 C ATOM 223 CE LYS A 16 14.255 -4.498 -4.262 1.00 0.00 C ATOM 224 NZ LYS A 16 15.699 -4.783 -4.300 1.00 0.00 N ATOM 0 H LYS A 16 12.359 -8.189 -5.831 1.00 0.00 H new ATOM 0 HA LYS A 16 14.276 -9.862 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.504 -7.875 -2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.894 -7.564 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.780 -6.451 -5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.116 -7.023 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.722 -4.902 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.244 -5.709 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.827 -4.626 -5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.091 -3.459 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.197 -3.991 -4.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.054 -4.905 -3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.867 -5.654 -4.843 1.00 0.00 H new ATOM 238 N GLY A 17 11.154 -9.204 -3.494 1.00 0.00 N ATOM 239 CA GLY A 17 10.071 -9.612 -2.616 1.00 0.00 C ATOM 240 C GLY A 17 9.813 -8.511 -1.586 1.00 0.00 C ATOM 241 O GLY A 17 9.766 -8.824 -0.387 1.00 0.00 O ATOM 0 H GLY A 17 10.874 -8.555 -4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.168 -9.801 -3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.327 -10.544 -2.112 1.00 0.00 H new ATOM 245 N PHE A 18 9.654 -7.264 -2.064 1.00 0.00 N ATOM 246 CA PHE A 18 9.403 -6.130 -1.191 1.00 0.00 C ATOM 247 C PHE A 18 8.915 -4.945 -2.027 1.00 0.00 C ATOM 248 O PHE A 18 9.163 -4.939 -3.242 1.00 0.00 O ATOM 249 CB PHE A 18 10.700 -5.772 -0.439 1.00 0.00 C ATOM 250 CG PHE A 18 10.942 -6.577 0.830 1.00 0.00 C ATOM 251 CD1 PHE A 18 10.238 -6.269 2.017 1.00 0.00 C ATOM 252 CD2 PHE A 18 11.879 -7.636 0.829 1.00 0.00 C ATOM 253 CE1 PHE A 18 10.468 -7.015 3.193 1.00 0.00 C ATOM 254 CE2 PHE A 18 12.108 -8.382 2.005 1.00 0.00 C ATOM 255 CZ PHE A 18 11.402 -8.072 3.187 1.00 0.00 C ATOM 0 H PHE A 18 9.697 -7.027 -3.055 1.00 0.00 H new ATOM 0 HA PHE A 18 8.633 -6.380 -0.461 1.00 0.00 H new ATOM 0 HB2 PHE A 18 11.546 -5.917 -1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 18 10.674 -4.713 -0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 18 9.522 -5.460 2.024 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.421 -7.875 -0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.929 -6.776 4.098 1.00 0.00 H new ATOM 0 HE2 PHE A 18 12.824 -9.191 2.000 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.577 -8.644 4.086 1.00 0.00 H new ATOM 265 N GLY A 19 8.242 -3.983 -1.373 1.00 0.00 N ATOM 266 CA GLY A 19 7.726 -2.806 -2.051 1.00 0.00 C ATOM 267 C GLY A 19 7.490 -1.694 -1.027 1.00 0.00 C ATOM 268 O GLY A 19 7.771 -1.916 0.160 1.00 0.00 O ATOM 0 H GLY A 19 8.048 -4.008 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.432 -2.472 -2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.795 -3.047 -2.564 1.00 0.00 H new ATOM 272 N PHE A 20 6.988 -0.539 -1.498 1.00 0.00 N ATOM 273 CA PHE A 20 6.718 0.594 -0.629 1.00 0.00 C ATOM 274 C PHE A 20 5.332 1.157 -0.947 1.00 0.00 C ATOM 275 O PHE A 20 5.077 1.471 -2.119 1.00 0.00 O ATOM 276 CB PHE A 20 7.805 1.666 -0.841 1.00 0.00 C ATOM 277 CG PHE A 20 8.904 1.673 0.214 1.00 0.00 C ATOM 278 CD1 PHE A 20 9.651 0.499 0.466 1.00 0.00 C ATOM 279 CD2 PHE A 20 9.189 2.852 0.942 1.00 0.00 C ATOM 280 CE1 PHE A 20 10.673 0.504 1.439 1.00 0.00 C ATOM 281 CE2 PHE A 20 10.211 2.855 1.915 1.00 0.00 C ATOM 282 CZ PHE A 20 10.953 1.681 2.164 1.00 0.00 C ATOM 0 H PHE A 20 6.764 -0.377 -2.480 1.00 0.00 H new ATOM 0 HA PHE A 20 6.735 0.280 0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.260 1.514 -1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.330 2.647 -0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 20 9.439 -0.404 -0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 20 8.623 3.752 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 20 11.241 -0.394 1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.425 3.757 2.470 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.735 1.684 2.909 1.00 0.00 H new ATOM 292 N ILE A 21 4.477 1.271 0.085 1.00 0.00 N ATOM 293 CA ILE A 21 3.130 1.791 -0.084 1.00 0.00 C ATOM 294 C ILE A 21 3.074 3.228 0.439 1.00 0.00 C ATOM 295 O ILE A 21 4.002 3.632 1.155 1.00 0.00 O ATOM 296 CB ILE A 21 2.110 0.858 0.570 1.00 0.00 C ATOM 297 CG1 ILE A 21 2.436 -0.607 0.272 1.00 0.00 C ATOM 298 CG2 ILE A 21 0.684 1.224 0.151 1.00 0.00 C ATOM 299 CD1 ILE A 21 1.161 -1.450 0.205 1.00 0.00 C ATOM 0 H ILE A 21 4.706 1.006 1.043 1.00 0.00 H new ATOM 0 HA ILE A 21 2.864 1.825 -1.140 1.00 0.00 H new ATOM 0 HB ILE A 21 2.172 0.988 1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.974 -0.679 -0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.096 -1.001 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.022 0.545 0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.467 2.248 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.590 1.140 -0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.421 -2.487 -0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.638 -1.396 1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.514 -1.069 -0.585 1.00 0.00 H new ATOM 311 N THR A 22 2.004 3.958 0.078 1.00 0.00 N ATOM 312 CA THR A 22 1.831 5.335 0.508 1.00 0.00 C ATOM 313 C THR A 22 0.402 5.530 1.019 1.00 0.00 C ATOM 314 O THR A 22 -0.498 5.736 0.192 1.00 0.00 O ATOM 315 CB THR A 22 2.190 6.260 -0.657 1.00 0.00 C ATOM 316 OG1 THR A 22 3.559 6.585 -0.432 1.00 0.00 O ATOM 317 CG2 THR A 22 1.470 7.607 -0.579 1.00 0.00 C ATOM 0 H THR A 22 1.250 3.606 -0.512 1.00 0.00 H new ATOM 0 HA THR A 22 2.495 5.582 1.336 1.00 0.00 H new ATOM 0 HB THR A 22 1.942 5.770 -1.599 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.710 7.530 -0.643 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.760 8.225 -1.429 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.392 7.445 -0.599 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.744 8.113 0.347 1.00 0.00 H new ATOM 325 N PRO A 23 0.225 5.462 2.351 1.00 0.00 N ATOM 326 CA PRO A 23 -1.066 5.624 2.997 1.00 0.00 C ATOM 327 C PRO A 23 -1.492 7.094 3.010 1.00 0.00 C ATOM 328 O PRO A 23 -0.659 7.946 3.351 1.00 0.00 O ATOM 329 CB PRO A 23 -0.884 5.046 4.391 1.00 0.00 C ATOM 330 CG PRO A 23 0.616 5.007 4.633 1.00 0.00 C ATOM 331 CD PRO A 23 1.310 5.217 3.297 1.00 0.00 C ATOM 0 HA PRO A 23 -1.868 5.109 2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.384 5.662 5.138 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.317 4.048 4.460 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.909 5.782 5.341 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.908 4.051 5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.999 6.061 3.337 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.894 4.342 3.012 1.00 0.00 H new ATOM 339 N ASP A 24 -2.759 7.357 2.645 1.00 0.00 N ATOM 340 CA ASP A 24 -3.287 8.710 2.614 1.00 0.00 C ATOM 341 C ASP A 24 -2.998 9.395 3.952 1.00 0.00 C ATOM 342 O ASP A 24 -2.161 10.309 3.977 1.00 0.00 O ATOM 343 CB ASP A 24 -4.802 8.706 2.403 1.00 0.00 C ATOM 344 CG ASP A 24 -5.537 7.512 3.016 1.00 0.00 C ATOM 345 OD1 ASP A 24 -5.787 7.470 4.230 1.00 0.00 O ATOM 346 OD2 ASP A 24 -5.862 6.584 2.180 1.00 0.00 O ATOM 0 H ASP A 24 -3.429 6.640 2.368 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.810 9.240 1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.215 9.623 2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.005 8.728 1.332 1.00 0.00 H new ATOM 351 N ASP A 25 -3.685 8.949 5.018 1.00 0.00 N ATOM 352 CA ASP A 25 -3.503 9.515 6.344 1.00 0.00 C ATOM 353 C ASP A 25 -2.034 9.386 6.751 1.00 0.00 C ATOM 354 O ASP A 25 -1.534 10.281 7.447 1.00 0.00 O ATOM 355 CB ASP A 25 -4.349 8.773 7.381 1.00 0.00 C ATOM 356 CG ASP A 25 -5.829 8.627 7.023 1.00 0.00 C ATOM 357 OD1 ASP A 25 -6.458 9.738 6.841 1.00 0.00 O ATOM 358 OD2 ASP A 25 -6.354 7.508 6.922 1.00 0.00 O ATOM 0 H ASP A 25 -4.371 8.195 4.975 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.811 10.560 6.310 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.927 7.779 7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.271 9.297 8.334 1.00 0.00 H new ATOM 363 N GLY A 26 -1.383 8.291 6.318 1.00 0.00 N ATOM 364 CA GLY A 26 0.014 8.050 6.636 1.00 0.00 C ATOM 365 C GLY A 26 0.892 8.625 5.522 1.00 0.00 C ATOM 366 O GLY A 26 1.508 7.837 4.791 1.00 0.00 O ATOM 0 H GLY A 26 -1.814 7.564 5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.267 8.513 7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.196 6.981 6.743 1.00 0.00 H new ATOM 370 N SER A 27 0.932 9.966 5.418 1.00 0.00 N ATOM 371 CA SER A 27 1.728 10.636 4.404 1.00 0.00 C ATOM 372 C SER A 27 3.074 9.922 4.263 1.00 0.00 C ATOM 373 O SER A 27 3.612 9.894 3.147 1.00 0.00 O ATOM 374 CB SER A 27 1.943 12.112 4.745 1.00 0.00 C ATOM 375 OG SER A 27 1.882 12.942 3.589 1.00 0.00 O ATOM 0 H SER A 27 0.417 10.598 6.031 1.00 0.00 H new ATOM 0 HA SER A 27 1.189 10.594 3.458 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.186 12.432 5.461 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.912 12.235 5.229 1.00 0.00 H new ATOM 0 HG SER A 27 2.022 13.876 3.849 1.00 0.00 H new ATOM 381 N LYS A 28 3.581 9.368 5.378 1.00 0.00 N ATOM 382 CA LYS A 28 4.851 8.662 5.379 1.00 0.00 C ATOM 383 C LYS A 28 4.790 7.511 4.372 1.00 0.00 C ATOM 384 O LYS A 28 3.787 7.411 3.651 1.00 0.00 O ATOM 385 CB LYS A 28 5.218 8.220 6.797 1.00 0.00 C ATOM 386 CG LYS A 28 5.856 9.368 7.581 1.00 0.00 C ATOM 387 CD LYS A 28 6.708 8.837 8.736 1.00 0.00 C ATOM 388 CE LYS A 28 5.988 7.705 9.472 1.00 0.00 C ATOM 389 NZ LYS A 28 6.383 7.679 10.890 1.00 0.00 N ATOM 0 H LYS A 28 3.120 9.402 6.287 1.00 0.00 H new ATOM 0 HA LYS A 28 5.655 9.324 5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.325 7.873 7.316 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.908 7.378 6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.475 9.969 6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.077 10.024 7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.663 8.477 8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.928 9.646 9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.909 7.839 9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.226 6.750 9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.885 6.905 11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.410 7.529 10.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.133 8.584 11.337 1.00 0.00 H new ATOM 403 N ASP A 29 5.847 6.679 4.344 1.00 0.00 N ATOM 404 CA ASP A 29 5.912 5.548 3.434 1.00 0.00 C ATOM 405 C ASP A 29 6.328 4.298 4.212 1.00 0.00 C ATOM 406 O ASP A 29 7.297 4.377 4.981 1.00 0.00 O ATOM 407 CB ASP A 29 6.946 5.786 2.333 1.00 0.00 C ATOM 408 CG ASP A 29 8.203 6.537 2.777 1.00 0.00 C ATOM 409 OD1 ASP A 29 8.935 6.085 3.671 1.00 0.00 O ATOM 410 OD2 ASP A 29 8.424 7.646 2.157 1.00 0.00 O ATOM 0 H ASP A 29 6.664 6.779 4.947 1.00 0.00 H new ATOM 0 HA ASP A 29 4.928 5.421 2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.244 4.822 1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.473 6.345 1.526 1.00 0.00 H new ATOM 415 N VAL A 30 5.600 3.187 4.000 1.00 0.00 N ATOM 416 CA VAL A 30 5.892 1.934 4.675 1.00 0.00 C ATOM 417 C VAL A 30 6.252 0.871 3.636 1.00 0.00 C ATOM 418 O VAL A 30 5.836 1.014 2.477 1.00 0.00 O ATOM 419 CB VAL A 30 4.711 1.529 5.560 1.00 0.00 C ATOM 420 CG1 VAL A 30 4.530 2.513 6.717 1.00 0.00 C ATOM 421 CG2 VAL A 30 3.427 1.407 4.738 1.00 0.00 C ATOM 0 H VAL A 30 4.805 3.144 3.362 1.00 0.00 H new ATOM 0 HA VAL A 30 6.752 2.047 5.335 1.00 0.00 H new ATOM 0 HB VAL A 30 4.931 0.550 5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.684 2.202 7.330 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.434 2.528 7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.343 3.511 6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.603 1.118 5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.201 2.366 4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.560 0.650 3.965 1.00 0.00 H new ATOM 431 N PHE A 31 7.007 -0.158 4.063 1.00 0.00 N ATOM 432 CA PHE A 31 7.417 -1.232 3.175 1.00 0.00 C ATOM 433 C PHE A 31 6.365 -2.343 3.206 1.00 0.00 C ATOM 434 O PHE A 31 5.648 -2.448 4.212 1.00 0.00 O ATOM 435 CB PHE A 31 8.790 -1.767 3.626 1.00 0.00 C ATOM 436 CG PHE A 31 8.728 -2.915 4.625 1.00 0.00 C ATOM 437 CD1 PHE A 31 8.370 -4.215 4.197 1.00 0.00 C ATOM 438 CD2 PHE A 31 9.023 -2.685 5.988 1.00 0.00 C ATOM 439 CE1 PHE A 31 8.309 -5.276 5.126 1.00 0.00 C ATOM 440 CE2 PHE A 31 8.962 -3.746 6.916 1.00 0.00 C ATOM 441 CZ PHE A 31 8.606 -5.042 6.486 1.00 0.00 C ATOM 0 H PHE A 31 7.340 -0.257 5.022 1.00 0.00 H new ATOM 0 HA PHE A 31 7.504 -0.863 2.153 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.343 -2.098 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.356 -0.948 4.069 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.143 -4.396 3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.296 -1.694 6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.035 -6.267 4.796 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.188 -3.566 7.957 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.561 -5.854 7.197 1.00 0.00 H new ATOM 451 N VAL A 32 6.296 -3.137 2.123 1.00 0.00 N ATOM 452 CA VAL A 32 5.341 -4.228 2.027 1.00 0.00 C ATOM 453 C VAL A 32 6.011 -5.430 1.358 1.00 0.00 C ATOM 454 O VAL A 32 7.053 -5.241 0.715 1.00 0.00 O ATOM 455 CB VAL A 32 4.083 -3.760 1.293 1.00 0.00 C ATOM 456 CG1 VAL A 32 4.442 -2.852 0.115 1.00 0.00 C ATOM 457 CG2 VAL A 32 3.242 -4.951 0.831 1.00 0.00 C ATOM 0 H VAL A 32 6.897 -3.034 1.305 1.00 0.00 H new ATOM 0 HA VAL A 32 5.023 -4.545 3.020 1.00 0.00 H new ATOM 0 HB VAL A 32 3.483 -3.179 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.530 -2.533 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.979 -1.977 0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.073 -3.398 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.354 -4.590 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.830 -5.571 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.942 -5.542 1.696 1.00 0.00 H new ATOM 467 N HIS A 33 5.410 -6.622 1.521 1.00 0.00 N ATOM 468 CA HIS A 33 5.945 -7.840 0.937 1.00 0.00 C ATOM 469 C HIS A 33 4.821 -8.598 0.229 1.00 0.00 C ATOM 470 O HIS A 33 3.650 -8.248 0.439 1.00 0.00 O ATOM 471 CB HIS A 33 6.657 -8.687 1.994 1.00 0.00 C ATOM 472 CG HIS A 33 5.797 -9.031 3.186 1.00 0.00 C ATOM 473 ND1 HIS A 33 4.479 -9.439 3.068 1.00 0.00 N ATOM 474 CD2 HIS A 33 6.079 -9.025 4.521 1.00 0.00 C ATOM 475 CE1 HIS A 33 4.001 -9.664 4.283 1.00 0.00 C ATOM 476 NE2 HIS A 33 4.994 -9.406 5.182 1.00 0.00 N ATOM 0 H HIS A 33 4.552 -6.756 2.056 1.00 0.00 H new ATOM 0 HA HIS A 33 6.700 -7.591 0.191 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.005 -9.611 1.531 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.541 -8.151 2.339 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.026 -8.755 4.965 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.000 -9.994 4.520 1.00 0.00 H new ATOM 0 HE2 HIS A 33 4.915 -9.492 6.195 1.00 0.00 H new ATOM 484 N PHE A 34 5.191 -9.605 -0.583 1.00 0.00 N ATOM 485 CA PHE A 34 4.220 -10.402 -1.313 1.00 0.00 C ATOM 486 C PHE A 34 3.972 -11.711 -0.561 1.00 0.00 C ATOM 487 O PHE A 34 3.875 -12.759 -1.216 1.00 0.00 O ATOM 488 CB PHE A 34 4.755 -10.679 -2.731 1.00 0.00 C ATOM 489 CG PHE A 34 5.848 -11.737 -2.802 1.00 0.00 C ATOM 490 CD1 PHE A 34 7.110 -11.492 -2.213 1.00 0.00 C ATOM 491 CD2 PHE A 34 5.608 -12.971 -3.451 1.00 0.00 C ATOM 492 CE1 PHE A 34 8.124 -12.472 -2.274 1.00 0.00 C ATOM 493 CE2 PHE A 34 6.622 -13.950 -3.511 1.00 0.00 C ATOM 494 CZ PHE A 34 7.880 -13.701 -2.923 1.00 0.00 C ATOM 0 H PHE A 34 6.161 -9.877 -0.742 1.00 0.00 H new ATOM 0 HA PHE A 34 3.276 -9.863 -1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.924 -10.991 -3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.141 -9.749 -3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.299 -10.552 -1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.646 -13.164 -3.902 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.087 -12.281 -1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.435 -14.891 -4.007 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.656 -14.451 -2.970 1.00 0.00 H new ATOM 504 N SER A 35 3.877 -11.627 0.778 1.00 0.00 N ATOM 505 CA SER A 35 3.643 -12.797 1.608 1.00 0.00 C ATOM 506 C SER A 35 2.387 -12.575 2.453 1.00 0.00 C ATOM 507 O SER A 35 2.233 -13.262 3.473 1.00 0.00 O ATOM 508 CB SER A 35 4.843 -13.093 2.510 1.00 0.00 C ATOM 509 OG SER A 35 4.893 -14.463 2.900 1.00 0.00 O ATOM 0 H SER A 35 3.960 -10.754 1.299 1.00 0.00 H new ATOM 0 HA SER A 35 3.501 -13.660 0.957 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.763 -12.831 1.987 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.792 -12.465 3.399 1.00 0.00 H new ATOM 0 HG SER A 35 4.020 -14.735 3.252 1.00 0.00 H new ATOM 515 N ALA A 36 1.528 -11.635 2.019 1.00 0.00 N ATOM 516 CA ALA A 36 0.298 -11.328 2.730 1.00 0.00 C ATOM 517 C ALA A 36 -0.565 -10.401 1.872 1.00 0.00 C ATOM 518 O ALA A 36 -1.209 -9.505 2.436 1.00 0.00 O ATOM 519 CB ALA A 36 0.623 -10.552 4.008 1.00 0.00 C ATOM 0 H ALA A 36 1.674 -11.080 1.176 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.215 -12.264 2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.301 -10.323 4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.269 -11.156 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.133 -9.624 3.750 1.00 0.00 H new ATOM 525 N ILE A 37 -0.560 -10.630 0.546 1.00 0.00 N ATOM 526 CA ILE A 37 -1.337 -9.821 -0.378 1.00 0.00 C ATOM 527 C ILE A 37 -2.737 -10.420 -0.520 1.00 0.00 C ATOM 528 O ILE A 37 -3.015 -11.434 0.137 1.00 0.00 O ATOM 529 CB ILE A 37 -0.596 -9.667 -1.708 1.00 0.00 C ATOM 530 CG1 ILE A 37 -1.401 -8.810 -2.687 1.00 0.00 C ATOM 531 CG2 ILE A 37 -0.240 -11.033 -2.299 1.00 0.00 C ATOM 532 CD1 ILE A 37 -0.488 -8.177 -3.739 1.00 0.00 C ATOM 0 H ILE A 37 -0.021 -11.373 0.101 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.460 -8.810 0.011 1.00 0.00 H new ATOM 0 HB ILE A 37 0.342 -9.145 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.156 -9.424 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.930 -8.029 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.286 -10.895 -3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.401 -11.575 -1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.152 -11.604 -2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.085 -7.573 -4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.251 -7.545 -3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.021 -8.962 -4.298 1.00 0.00 H new ATOM 544 N GLN A 38 -3.579 -9.792 -1.361 1.00 0.00 N ATOM 545 CA GLN A 38 -4.936 -10.259 -1.584 1.00 0.00 C ATOM 546 C GLN A 38 -5.277 -10.131 -3.070 1.00 0.00 C ATOM 547 O GLN A 38 -6.019 -9.204 -3.427 1.00 0.00 O ATOM 548 CB GLN A 38 -5.943 -9.495 -0.722 1.00 0.00 C ATOM 549 CG GLN A 38 -6.104 -10.156 0.648 1.00 0.00 C ATOM 550 CD GLN A 38 -4.842 -9.980 1.494 1.00 0.00 C ATOM 551 OE1 GLN A 38 -4.403 -10.877 2.195 1.00 0.00 O ATOM 552 NE2 GLN A 38 -4.284 -8.778 1.390 1.00 0.00 N ATOM 0 H GLN A 38 -3.331 -8.958 -1.893 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.998 -11.307 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.611 -8.464 -0.596 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.908 -9.460 -1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.958 -9.721 1.167 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.316 -11.218 0.521 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.703 -8.072 0.785 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.437 -8.562 1.915 1.00 0.00 H new ATOM 561 N ASN A 39 -4.737 -11.047 -3.894 1.00 0.00 N ATOM 562 CA ASN A 39 -4.983 -11.035 -5.326 1.00 0.00 C ATOM 563 C ASN A 39 -5.005 -12.473 -5.847 1.00 0.00 C ATOM 564 O ASN A 39 -4.423 -12.724 -6.912 1.00 0.00 O ATOM 565 CB ASN A 39 -3.878 -10.280 -6.068 1.00 0.00 C ATOM 566 CG ASN A 39 -2.548 -11.031 -5.981 1.00 0.00 C ATOM 567 OD1 ASN A 39 -1.936 -11.380 -6.978 1.00 0.00 O ATOM 568 ND2 ASN A 39 -2.136 -11.260 -4.738 1.00 0.00 N ATOM 0 H ASN A 39 -4.127 -11.802 -3.580 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.938 -10.540 -5.500 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.159 -10.151 -7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.765 -9.283 -5.643 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.259 -11.755 -4.574 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.697 -10.941 -3.948 1.00 0.00 H new ATOM 575 N ASP A 40 -5.666 -13.375 -5.098 1.00 0.00 N ATOM 576 CA ASP A 40 -5.762 -14.773 -5.482 1.00 0.00 C ATOM 577 C ASP A 40 -4.355 -15.361 -5.604 1.00 0.00 C ATOM 578 O ASP A 40 -3.825 -15.836 -4.589 1.00 0.00 O ATOM 579 CB ASP A 40 -6.456 -14.925 -6.837 1.00 0.00 C ATOM 580 CG ASP A 40 -7.911 -14.452 -6.875 1.00 0.00 C ATOM 581 OD1 ASP A 40 -8.649 -14.880 -5.908 1.00 0.00 O ATOM 582 OD2 ASP A 40 -8.318 -13.711 -7.782 1.00 0.00 O ATOM 0 H ASP A 40 -6.139 -13.148 -4.223 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.341 -15.294 -4.719 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.889 -14.368 -7.583 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.423 -15.975 -7.129 1.00 0.00 H new ATOM 587 N GLY A 41 -3.787 -15.320 -6.822 1.00 0.00 N ATOM 588 CA GLY A 41 -2.456 -15.845 -7.070 1.00 0.00 C ATOM 589 C GLY A 41 -1.731 -14.937 -8.067 1.00 0.00 C ATOM 590 O GLY A 41 -1.904 -13.712 -7.981 1.00 0.00 O ATOM 0 H GLY A 41 -4.241 -14.925 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.895 -15.901 -6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.520 -16.859 -7.464 1.00 0.00 H new ATOM 594 N TYR A 42 -0.949 -15.545 -8.976 1.00 0.00 N ATOM 595 CA TYR A 42 -0.230 -14.738 -9.948 1.00 0.00 C ATOM 596 C TYR A 42 0.119 -13.386 -9.323 1.00 0.00 C ATOM 597 O TYR A 42 -0.515 -12.389 -9.700 1.00 0.00 O ATOM 598 CB TYR A 42 -1.070 -14.578 -11.228 1.00 0.00 C ATOM 599 CG TYR A 42 -0.253 -14.414 -12.502 1.00 0.00 C ATOM 600 CD1 TYR A 42 0.747 -15.356 -12.838 1.00 0.00 C ATOM 601 CD2 TYR A 42 -0.487 -13.311 -13.355 1.00 0.00 C ATOM 602 CE1 TYR A 42 1.503 -15.198 -14.019 1.00 0.00 C ATOM 603 CE2 TYR A 42 0.269 -13.152 -14.536 1.00 0.00 C ATOM 604 CZ TYR A 42 1.265 -14.096 -14.869 1.00 0.00 C ATOM 605 OH TYR A 42 1.994 -13.939 -16.014 1.00 0.00 O ATOM 0 H TYR A 42 -0.808 -16.552 -9.050 1.00 0.00 H new ATOM 0 HA TYR A 42 0.700 -15.233 -10.229 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.716 -15.450 -11.335 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.721 -13.711 -11.114 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.933 -16.199 -12.189 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.247 -12.587 -13.102 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.264 -15.921 -14.273 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.086 -12.308 -15.185 1.00 0.00 H new ATOM 0 HH TYR A 42 1.700 -13.129 -16.481 1.00 0.00 H new ATOM 615 N LYS A 43 1.092 -13.375 -8.394 1.00 0.00 N ATOM 616 CA LYS A 43 1.503 -12.153 -7.724 1.00 0.00 C ATOM 617 C LYS A 43 1.776 -11.070 -8.769 1.00 0.00 C ATOM 618 O LYS A 43 2.642 -11.286 -9.629 1.00 0.00 O ATOM 619 CB LYS A 43 2.689 -12.424 -6.796 1.00 0.00 C ATOM 620 CG LYS A 43 2.576 -13.807 -6.151 1.00 0.00 C ATOM 621 CD LYS A 43 1.223 -13.980 -5.458 1.00 0.00 C ATOM 622 CE LYS A 43 0.968 -15.449 -5.112 1.00 0.00 C ATOM 623 NZ LYS A 43 2.045 -15.971 -4.255 1.00 0.00 N ATOM 0 H LYS A 43 1.602 -14.207 -8.098 1.00 0.00 H new ATOM 0 HA LYS A 43 0.703 -11.783 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.619 -12.357 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.731 -11.659 -6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.700 -14.578 -6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.379 -13.941 -5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.196 -13.379 -4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.428 -13.612 -6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.010 -15.548 -4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.905 -16.039 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.749 -16.876 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.902 -16.117 -4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.246 -15.289 -3.496 1.00 0.00 H new ATOM 637 N SER A 44 1.043 -9.946 -8.677 1.00 0.00 N ATOM 638 CA SER A 44 1.206 -8.842 -9.608 1.00 0.00 C ATOM 639 C SER A 44 0.423 -7.630 -9.098 1.00 0.00 C ATOM 640 O SER A 44 -0.738 -7.804 -8.699 1.00 0.00 O ATOM 641 CB SER A 44 0.738 -9.222 -11.014 1.00 0.00 C ATOM 642 OG SER A 44 1.832 -9.488 -11.887 1.00 0.00 O ATOM 0 H SER A 44 0.333 -9.789 -7.961 1.00 0.00 H new ATOM 0 HA SER A 44 2.266 -8.596 -9.670 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.097 -10.102 -10.957 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.134 -8.414 -11.426 1.00 0.00 H new ATOM 0 HG SER A 44 2.430 -10.144 -11.472 1.00 0.00 H new ATOM 648 N LEU A 45 1.063 -6.447 -9.119 1.00 0.00 N ATOM 649 CA LEU A 45 0.431 -5.222 -8.663 1.00 0.00 C ATOM 650 C LEU A 45 0.762 -4.088 -9.636 1.00 0.00 C ATOM 651 O LEU A 45 1.755 -4.211 -10.368 1.00 0.00 O ATOM 652 CB LEU A 45 0.824 -4.923 -7.214 1.00 0.00 C ATOM 653 CG LEU A 45 -0.226 -5.252 -6.152 1.00 0.00 C ATOM 654 CD1 LEU A 45 0.348 -5.090 -4.744 1.00 0.00 C ATOM 655 CD2 LEU A 45 -1.491 -4.416 -6.355 1.00 0.00 C ATOM 0 H LEU A 45 2.020 -6.326 -9.450 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.653 -5.332 -8.659 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.732 -5.479 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.071 -3.864 -7.137 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.510 -6.298 -6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.420 -5.330 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.196 -5.763 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.678 -4.061 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.222 -4.669 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.243 -3.357 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.911 -4.625 -7.339 1.00 0.00 H new ATOM 667 N ASP A 46 -0.062 -3.025 -9.625 1.00 0.00 N ATOM 668 CA ASP A 46 0.143 -1.883 -10.500 1.00 0.00 C ATOM 669 C ASP A 46 0.843 -0.768 -9.721 1.00 0.00 C ATOM 670 O ASP A 46 0.804 -0.800 -8.482 1.00 0.00 O ATOM 671 CB ASP A 46 -1.191 -1.337 -11.013 1.00 0.00 C ATOM 672 CG ASP A 46 -1.691 -1.970 -12.313 1.00 0.00 C ATOM 673 OD1 ASP A 46 -0.896 -2.391 -13.167 1.00 0.00 O ATOM 674 OD2 ASP A 46 -2.975 -2.023 -12.435 1.00 0.00 O ATOM 0 H ASP A 46 -0.875 -2.944 -9.014 1.00 0.00 H new ATOM 0 HA ASP A 46 0.748 -2.210 -11.346 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.947 -1.482 -10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.093 -0.262 -11.164 1.00 0.00 H new ATOM 679 N GLU A 47 1.458 0.181 -10.449 1.00 0.00 N ATOM 680 CA GLU A 47 2.158 1.293 -9.830 1.00 0.00 C ATOM 681 C GLU A 47 1.198 2.476 -9.683 1.00 0.00 C ATOM 682 O GLU A 47 0.673 2.940 -10.706 1.00 0.00 O ATOM 683 CB GLU A 47 3.400 1.691 -10.631 1.00 0.00 C ATOM 684 CG GLU A 47 3.014 2.477 -11.886 1.00 0.00 C ATOM 685 CD GLU A 47 4.100 2.366 -12.958 1.00 0.00 C ATOM 686 OE1 GLU A 47 5.076 1.623 -12.777 1.00 0.00 O ATOM 687 OE2 GLU A 47 3.903 3.085 -14.010 1.00 0.00 O ATOM 0 H GLU A 47 1.478 0.189 -11.469 1.00 0.00 H new ATOM 0 HA GLU A 47 2.502 0.984 -8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.061 2.294 -10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.957 0.797 -10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.070 2.100 -12.279 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.857 3.525 -11.629 1.00 0.00 H new ATOM 694 N GLY A 48 0.992 2.932 -8.435 1.00 0.00 N ATOM 695 CA GLY A 48 0.104 4.049 -8.160 1.00 0.00 C ATOM 696 C GLY A 48 -1.340 3.545 -8.107 1.00 0.00 C ATOM 697 O GLY A 48 -2.225 4.236 -8.634 1.00 0.00 O ATOM 0 H GLY A 48 1.435 2.535 -7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.373 4.518 -7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.208 4.810 -8.933 1.00 0.00 H new ATOM 701 N GLN A 49 -1.547 2.372 -7.483 1.00 0.00 N ATOM 702 CA GLN A 49 -2.871 1.786 -7.364 1.00 0.00 C ATOM 703 C GLN A 49 -3.365 1.940 -5.924 1.00 0.00 C ATOM 704 O GLN A 49 -2.529 1.925 -5.009 1.00 0.00 O ATOM 705 CB GLN A 49 -2.875 0.316 -7.790 1.00 0.00 C ATOM 706 CG GLN A 49 -4.042 -0.438 -7.149 1.00 0.00 C ATOM 707 CD GLN A 49 -4.263 -1.789 -7.832 1.00 0.00 C ATOM 708 OE1 GLN A 49 -3.339 -2.443 -8.286 1.00 0.00 O ATOM 709 NE2 GLN A 49 -5.537 -2.168 -7.880 1.00 0.00 N ATOM 0 H GLN A 49 -0.804 1.818 -7.056 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.548 2.314 -8.035 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.946 0.249 -8.876 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.933 -0.152 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.842 -0.591 -6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.949 0.162 -7.219 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.262 -1.572 -7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.789 -3.055 -8.317 1.00 0.00 H new ATOM 718 N LYS A 50 -4.692 2.083 -5.755 1.00 0.00 N ATOM 719 CA LYS A 50 -5.288 2.239 -4.439 1.00 0.00 C ATOM 720 C LYS A 50 -5.396 0.869 -3.768 1.00 0.00 C ATOM 721 O LYS A 50 -6.083 -0.004 -4.317 1.00 0.00 O ATOM 722 CB LYS A 50 -6.622 2.982 -4.540 1.00 0.00 C ATOM 723 CG LYS A 50 -6.603 4.259 -3.699 1.00 0.00 C ATOM 724 CD LYS A 50 -7.981 4.925 -3.682 1.00 0.00 C ATOM 725 CE LYS A 50 -8.023 6.120 -4.637 1.00 0.00 C ATOM 726 NZ LYS A 50 -8.739 7.248 -4.019 1.00 0.00 N ATOM 0 H LYS A 50 -5.364 2.092 -6.523 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.653 2.856 -3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.826 3.231 -5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.430 2.333 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.297 4.023 -2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.865 4.953 -4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.743 4.200 -3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.217 5.255 -2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.008 6.423 -4.895 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.516 5.834 -5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.759 8.051 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.713 6.960 -3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.252 7.531 -3.145 1.00 0.00 H new ATOM 740 N VAL A 51 -4.727 0.710 -2.612 1.00 0.00 N ATOM 741 CA VAL A 51 -4.748 -0.542 -1.875 1.00 0.00 C ATOM 742 C VAL A 51 -4.861 -0.246 -0.378 1.00 0.00 C ATOM 743 O VAL A 51 -4.526 0.876 0.028 1.00 0.00 O ATOM 744 CB VAL A 51 -3.516 -1.378 -2.228 1.00 0.00 C ATOM 745 CG1 VAL A 51 -3.282 -1.399 -3.740 1.00 0.00 C ATOM 746 CG2 VAL A 51 -2.277 -0.867 -1.489 1.00 0.00 C ATOM 0 H VAL A 51 -4.167 1.443 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.618 -1.136 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.702 -2.402 -1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.400 -2.000 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.151 -1.831 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.128 -0.381 -4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.415 -1.478 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.088 0.169 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.444 -0.928 -0.414 1.00 0.00 H new ATOM 756 N SER A 52 -5.323 -1.242 0.399 1.00 0.00 N ATOM 757 CA SER A 52 -5.477 -1.089 1.836 1.00 0.00 C ATOM 758 C SER A 52 -4.485 -2.008 2.551 1.00 0.00 C ATOM 759 O SER A 52 -3.841 -2.822 1.874 1.00 0.00 O ATOM 760 CB SER A 52 -6.907 -1.401 2.282 1.00 0.00 C ATOM 761 OG SER A 52 -7.626 -2.135 1.294 1.00 0.00 O ATOM 0 H SER A 52 -5.594 -2.159 0.044 1.00 0.00 H new ATOM 0 HA SER A 52 -5.272 -0.051 2.098 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.881 -1.972 3.210 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.432 -0.470 2.495 1.00 0.00 H new ATOM 0 HG SER A 52 -8.533 -2.316 1.617 1.00 0.00 H new ATOM 767 N PHE A 53 -4.384 -1.863 3.885 1.00 0.00 N ATOM 768 CA PHE A 53 -3.479 -2.674 4.681 1.00 0.00 C ATOM 769 C PHE A 53 -3.775 -2.453 6.166 1.00 0.00 C ATOM 770 O PHE A 53 -4.870 -1.965 6.482 1.00 0.00 O ATOM 771 CB PHE A 53 -2.025 -2.286 4.350 1.00 0.00 C ATOM 772 CG PHE A 53 -1.835 -0.835 3.929 1.00 0.00 C ATOM 773 CD1 PHE A 53 -2.009 -0.454 2.578 1.00 0.00 C ATOM 774 CD2 PHE A 53 -1.476 0.140 4.888 1.00 0.00 C ATOM 775 CE1 PHE A 53 -1.828 0.891 2.191 1.00 0.00 C ATOM 776 CE2 PHE A 53 -1.295 1.485 4.501 1.00 0.00 C ATOM 777 CZ PHE A 53 -1.472 1.861 3.152 1.00 0.00 C ATOM 0 H PHE A 53 -4.925 -1.187 4.424 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.620 -3.730 4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.403 -2.481 5.224 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.664 -2.933 3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.281 -1.195 1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.340 -0.146 5.921 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.962 1.178 1.159 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.021 2.227 5.237 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.335 2.890 2.856 1.00 0.00 H new ATOM 787 N THR A 54 -2.810 -2.810 7.032 1.00 0.00 N ATOM 788 CA THR A 54 -2.968 -2.652 8.468 1.00 0.00 C ATOM 789 C THR A 54 -1.588 -2.516 9.116 1.00 0.00 C ATOM 790 O THR A 54 -1.441 -2.918 10.279 1.00 0.00 O ATOM 791 CB THR A 54 -3.777 -3.834 9.004 1.00 0.00 C ATOM 792 OG1 THR A 54 -3.687 -3.702 10.420 1.00 0.00 O ATOM 793 CG2 THR A 54 -3.111 -5.180 8.712 1.00 0.00 C ATOM 0 H THR A 54 -1.915 -3.210 6.750 1.00 0.00 H new ATOM 0 HA THR A 54 -3.519 -1.744 8.713 1.00 0.00 H new ATOM 0 HB THR A 54 -4.775 -3.820 8.565 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.767 -3.878 10.707 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.726 -5.985 9.114 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.005 -5.307 7.635 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.127 -5.208 9.179 1.00 0.00 H new ATOM 801 N ILE A 55 -0.621 -1.961 8.363 1.00 0.00 N ATOM 802 CA ILE A 55 0.731 -1.776 8.861 1.00 0.00 C ATOM 803 C ILE A 55 1.089 -2.933 9.795 1.00 0.00 C ATOM 804 O ILE A 55 0.958 -2.766 11.017 1.00 0.00 O ATOM 805 CB ILE A 55 0.880 -0.396 9.505 1.00 0.00 C ATOM 806 CG1 ILE A 55 0.371 0.704 8.570 1.00 0.00 C ATOM 807 CG2 ILE A 55 2.324 -0.150 9.946 1.00 0.00 C ATOM 808 CD1 ILE A 55 1.534 1.515 7.994 1.00 0.00 C ATOM 0 H ILE A 55 -0.763 -1.636 7.407 1.00 0.00 H new ATOM 0 HA ILE A 55 1.446 -1.798 8.039 1.00 0.00 H new ATOM 0 HB ILE A 55 0.260 -0.369 10.401 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.204 0.259 7.758 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.304 1.365 9.114 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.402 0.838 10.400 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.617 -0.908 10.673 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.983 -0.204 9.080 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.145 2.290 7.333 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.092 1.978 8.807 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.194 0.855 7.431 1.00 0.00 H new ATOM 820 N GLU A 56 1.526 -4.064 9.214 1.00 0.00 N ATOM 821 CA GLU A 56 1.899 -5.235 9.989 1.00 0.00 C ATOM 822 C GLU A 56 3.316 -5.050 10.536 1.00 0.00 C ATOM 823 O GLU A 56 4.044 -4.195 10.009 1.00 0.00 O ATOM 824 CB GLU A 56 1.794 -6.515 9.159 1.00 0.00 C ATOM 825 CG GLU A 56 0.628 -7.384 9.636 1.00 0.00 C ATOM 826 CD GLU A 56 0.639 -8.747 8.940 1.00 0.00 C ATOM 827 OE1 GLU A 56 1.276 -8.900 7.887 1.00 0.00 O ATOM 828 OE2 GLU A 56 -0.044 -9.667 9.531 1.00 0.00 O ATOM 0 H GLU A 56 1.626 -4.181 8.206 1.00 0.00 H new ATOM 0 HA GLU A 56 1.203 -5.339 10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.657 -6.261 8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.725 -7.077 9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.691 -7.522 10.715 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.315 -6.876 9.434 1.00 0.00 H new ATOM 835 N SER A 57 3.673 -5.840 11.563 1.00 0.00 N ATOM 836 CA SER A 57 4.990 -5.764 12.172 1.00 0.00 C ATOM 837 C SER A 57 5.698 -7.111 12.018 1.00 0.00 C ATOM 838 O SER A 57 5.036 -8.147 12.181 1.00 0.00 O ATOM 839 CB SER A 57 4.903 -5.376 13.650 1.00 0.00 C ATOM 840 OG SER A 57 6.142 -4.876 14.145 1.00 0.00 O ATOM 0 H SER A 57 3.058 -6.537 11.982 1.00 0.00 H new ATOM 0 HA SER A 57 5.561 -4.988 11.663 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.129 -4.620 13.781 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.603 -6.245 14.236 1.00 0.00 H new ATOM 0 HG SER A 57 6.044 -4.638 15.091 1.00 0.00 H new ATOM 846 N GLY A 58 7.007 -7.073 11.712 1.00 0.00 N ATOM 847 CA GLY A 58 7.793 -8.282 11.539 1.00 0.00 C ATOM 848 C GLY A 58 9.277 -7.951 11.715 1.00 0.00 C ATOM 849 O GLY A 58 9.998 -8.771 12.301 1.00 0.00 O ATOM 0 H GLY A 58 7.534 -6.209 11.582 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.488 -9.035 12.266 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.618 -8.705 10.550 1.00 0.00 H new ATOM 853 N ALA A 59 9.695 -6.775 11.213 1.00 0.00 N ATOM 854 CA ALA A 59 11.078 -6.343 11.315 1.00 0.00 C ATOM 855 C ALA A 59 11.177 -5.198 12.325 1.00 0.00 C ATOM 856 O ALA A 59 11.612 -5.447 13.459 1.00 0.00 O ATOM 857 CB ALA A 59 11.540 -5.772 9.973 1.00 0.00 C ATOM 0 H ALA A 59 9.084 -6.114 10.734 1.00 0.00 H new ATOM 0 HA ALA A 59 11.685 -7.198 11.613 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.578 -5.449 10.053 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.457 -6.539 9.203 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.915 -4.920 9.705 1.00 0.00 H new ATOM 863 N LYS A 60 10.779 -3.985 11.901 1.00 0.00 N ATOM 864 CA LYS A 60 10.823 -2.815 12.762 1.00 0.00 C ATOM 865 C LYS A 60 9.420 -2.532 13.302 1.00 0.00 C ATOM 866 O LYS A 60 9.103 -3.010 14.401 1.00 0.00 O ATOM 867 CB LYS A 60 11.450 -1.630 12.024 1.00 0.00 C ATOM 868 CG LYS A 60 12.548 -2.098 11.067 1.00 0.00 C ATOM 869 CD LYS A 60 12.019 -2.205 9.636 1.00 0.00 C ATOM 870 CE LYS A 60 12.720 -1.204 8.716 1.00 0.00 C ATOM 871 NZ LYS A 60 12.137 -1.249 7.365 1.00 0.00 N ATOM 0 H LYS A 60 10.424 -3.801 10.963 1.00 0.00 H new ATOM 0 HA LYS A 60 11.465 -2.999 13.623 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.680 -1.096 11.467 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.867 -0.927 12.745 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.384 -1.400 11.098 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.929 -3.066 11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.173 -3.217 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.945 -2.022 9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.627 -0.198 9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.785 -1.431 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.624 -0.563 6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.248 -2.205 6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.126 -1.011 7.415 1.00 0.00 H new ATOM 885 N GLY A 61 8.621 -1.772 12.532 1.00 0.00 N ATOM 886 CA GLY A 61 7.266 -1.430 12.931 1.00 0.00 C ATOM 887 C GLY A 61 6.312 -1.704 11.766 1.00 0.00 C ATOM 888 O GLY A 61 5.565 -2.691 11.836 1.00 0.00 O ATOM 0 H GLY A 61 8.902 -1.388 11.630 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.972 -2.016 13.802 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.214 -0.380 13.220 1.00 0.00 H new ATOM 892 N PRO A 62 6.355 -0.840 10.736 1.00 0.00 N ATOM 893 CA PRO A 62 5.517 -0.958 9.555 1.00 0.00 C ATOM 894 C PRO A 62 6.011 -2.081 8.642 1.00 0.00 C ATOM 895 O PRO A 62 7.231 -2.291 8.572 1.00 0.00 O ATOM 896 CB PRO A 62 5.571 0.411 8.897 1.00 0.00 C ATOM 897 CG PRO A 62 6.798 1.101 9.470 1.00 0.00 C ATOM 898 CD PRO A 62 7.249 0.313 10.688 1.00 0.00 C ATOM 0 HA PRO A 62 4.489 -1.230 9.794 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.644 0.321 7.813 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.667 0.982 9.109 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.594 1.144 8.727 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.564 2.129 9.746 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.290 0.003 10.596 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.173 0.911 11.596 1.00 0.00 H new ATOM 906 N ALA A 63 5.070 -2.769 7.970 1.00 0.00 N ATOM 907 CA ALA A 63 5.408 -3.859 7.071 1.00 0.00 C ATOM 908 C ALA A 63 4.121 -4.505 6.553 1.00 0.00 C ATOM 909 O ALA A 63 3.519 -5.296 7.294 1.00 0.00 O ATOM 910 CB ALA A 63 6.156 -4.949 7.841 1.00 0.00 C ATOM 0 H ALA A 63 4.070 -2.580 8.041 1.00 0.00 H new ATOM 0 HA ALA A 63 6.015 -3.460 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.408 -5.765 7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.070 -4.533 8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.523 -5.326 8.644 1.00 0.00 H new ATOM 916 N ALA A 64 3.732 -4.163 5.312 1.00 0.00 N ATOM 917 CA ALA A 64 2.529 -4.706 4.705 1.00 0.00 C ATOM 918 C ALA A 64 1.434 -4.820 5.767 1.00 0.00 C ATOM 919 O ALA A 64 1.356 -3.935 6.631 1.00 0.00 O ATOM 920 CB ALA A 64 2.799 -6.129 4.211 1.00 0.00 C ATOM 0 H ALA A 64 4.243 -3.510 4.718 1.00 0.00 H new ATOM 0 HA ALA A 64 2.230 -4.052 3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.895 -6.534 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.600 -6.112 3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.094 -6.756 5.052 1.00 0.00 H new ATOM 926 N GLY A 65 0.624 -5.891 5.683 1.00 0.00 N ATOM 927 CA GLY A 65 -0.455 -6.116 6.630 1.00 0.00 C ATOM 928 C GLY A 65 -1.786 -6.166 5.878 1.00 0.00 C ATOM 929 O GLY A 65 -2.471 -5.135 5.822 1.00 0.00 O ATOM 0 H GLY A 65 0.706 -6.609 4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.293 -7.050 7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.474 -5.319 7.373 1.00 0.00 H new ATOM 933 N ASN A 66 -2.121 -7.346 5.324 1.00 0.00 N ATOM 934 CA ASN A 66 -3.358 -7.525 4.583 1.00 0.00 C ATOM 935 C ASN A 66 -3.411 -6.515 3.435 1.00 0.00 C ATOM 936 O ASN A 66 -4.301 -5.652 3.451 1.00 0.00 O ATOM 937 CB ASN A 66 -4.575 -7.288 5.479 1.00 0.00 C ATOM 938 CG ASN A 66 -4.872 -8.519 6.338 1.00 0.00 C ATOM 939 OD1 ASN A 66 -4.866 -9.648 5.874 1.00 0.00 O ATOM 940 ND2 ASN A 66 -5.133 -8.240 7.611 1.00 0.00 N ATOM 0 H ASN A 66 -1.543 -8.184 5.382 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.381 -8.548 4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.395 -6.426 6.122 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.443 -7.051 4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.345 -8.993 8.265 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.121 -7.272 7.934 1.00 0.00 H new ATOM 947 N VAL A 67 -2.474 -6.640 2.479 1.00 0.00 N ATOM 948 CA VAL A 67 -2.415 -5.745 1.336 1.00 0.00 C ATOM 949 C VAL A 67 -3.423 -6.205 0.281 1.00 0.00 C ATOM 950 O VAL A 67 -3.145 -7.199 -0.406 1.00 0.00 O ATOM 951 CB VAL A 67 -0.983 -5.670 0.803 1.00 0.00 C ATOM 952 CG1 VAL A 67 -0.625 -4.240 0.393 1.00 0.00 C ATOM 953 CG2 VAL A 67 0.013 -6.211 1.830 1.00 0.00 C ATOM 0 H VAL A 67 -1.750 -7.358 2.486 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.691 -4.732 1.629 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.923 -6.298 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.398 -4.214 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.307 -3.904 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.711 -3.581 1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.023 -6.146 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.051 -5.621 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.223 -7.252 2.052 1.00 0.00 H new ATOM 963 N THR A 68 -4.554 -5.486 0.174 1.00 0.00 N ATOM 964 CA THR A 68 -5.590 -5.819 -0.789 1.00 0.00 C ATOM 965 C THR A 68 -5.822 -4.624 -1.715 1.00 0.00 C ATOM 966 O THR A 68 -5.664 -3.483 -1.257 1.00 0.00 O ATOM 967 CB THR A 68 -6.845 -6.250 -0.027 1.00 0.00 C ATOM 968 OG1 THR A 68 -7.859 -6.299 -1.027 1.00 0.00 O ATOM 969 CG2 THR A 68 -7.336 -5.177 0.948 1.00 0.00 C ATOM 0 H THR A 68 -4.764 -4.670 0.749 1.00 0.00 H new ATOM 0 HA THR A 68 -5.294 -6.653 -1.425 1.00 0.00 H new ATOM 0 HB THR A 68 -6.639 -7.170 0.519 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.707 -6.572 -0.620 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.228 -5.534 1.462 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.556 -4.965 1.679 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.574 -4.267 0.398 1.00 0.00 H new ATOM 977 N SER A 69 -6.187 -4.903 -2.979 1.00 0.00 N ATOM 978 CA SER A 69 -6.438 -3.859 -3.958 1.00 0.00 C ATOM 979 C SER A 69 -7.889 -3.389 -3.835 1.00 0.00 C ATOM 980 O SER A 69 -8.764 -4.234 -3.598 1.00 0.00 O ATOM 981 CB SER A 69 -6.155 -4.344 -5.381 1.00 0.00 C ATOM 982 OG SER A 69 -6.909 -5.509 -5.707 1.00 0.00 O ATOM 0 H SER A 69 -6.312 -5.850 -3.336 1.00 0.00 H new ATOM 0 HA SER A 69 -5.763 -3.027 -3.757 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.391 -3.549 -6.089 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.092 -4.559 -5.486 1.00 0.00 H new ATOM 0 HG SER A 69 -6.702 -5.787 -6.624 1.00 0.00 H new ATOM 988 N LEU A 70 -8.112 -2.073 -3.997 1.00 0.00 N ATOM 989 CA LEU A 70 -9.444 -1.500 -3.906 1.00 0.00 C ATOM 990 C LEU A 70 -10.176 -1.708 -5.233 1.00 0.00 C ATOM 991 O LEU A 70 -9.566 -2.101 -6.226 1.00 0.00 O ATOM 992 CB LEU A 70 -9.369 -0.036 -3.468 1.00 0.00 C ATOM 993 CG LEU A 70 -9.361 0.213 -1.958 1.00 0.00 C ATOM 994 CD1 LEU A 70 -10.786 0.323 -1.413 1.00 0.00 C ATOM 995 CD2 LEU A 70 -8.549 -0.860 -1.230 1.00 0.00 C ATOM 0 H LEU A 70 -7.377 -1.394 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.026 -2.009 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.467 0.404 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.217 0.496 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.871 1.169 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.752 0.500 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.299 1.152 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.324 -0.604 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.559 -0.660 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.987 -1.840 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.521 -0.846 -1.592 1.00 0.00 H new TER 1007 LEU A 70