USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 797 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -122:sc= -0.037 (180deg=-0.689) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 30:sc= -0.712 USER MOD Single : A 23 SER OG : rot 97:sc= 0.385 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.14! C(o=-1.1!,f=-1.1!) USER MOD Single : A 32 SER OG : rot 180:sc= -1.34 USER MOD Single : A 35 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0976) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 110:sc= -1.34 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 55:sc= -5.95! USER MOD Single : A 61 HIS :FLIP no HD1:sc= -3.25! C(o=-4.4!,f=-3.2!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -115:sc= -1.78 (180deg=-2.39) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -127:sc= 0.882 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -65:sc= 1.09 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 107 SER OG : rot -34:sc= 0.791 USER MOD Single : B 108 THR OG1 : rot 180:sc=-0.000325 USER MOD Single : B 109 ASN : amide:sc= -5.88! C(o=-5.9!,f=-16!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 2.125 3.662 -24.245 1.00 0.00 N ATOM 2 CA PRO A 6 1.433 4.726 -23.478 1.00 0.00 C ATOM 3 C PRO A 6 1.524 4.451 -21.975 1.00 0.00 C ATOM 4 O PRO A 6 2.328 3.659 -21.526 1.00 0.00 O ATOM 5 CB PRO A 6 -0.011 4.629 -23.957 1.00 0.00 C ATOM 6 CG PRO A 6 -0.174 3.220 -24.437 1.00 0.00 C ATOM 7 CD PRO A 6 1.185 2.727 -24.868 1.00 0.00 C ATOM 0 HA PRO A 6 1.866 5.714 -23.633 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.709 4.853 -23.150 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.209 5.342 -24.757 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.577 2.589 -23.645 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.878 3.177 -25.268 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.361 1.704 -24.534 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.283 2.729 -25.954 1.00 0.00 H new ATOM 15 N TRP A 7 0.704 5.102 -21.198 1.00 0.00 N ATOM 16 CA TRP A 7 0.733 4.886 -19.726 1.00 0.00 C ATOM 17 C TRP A 7 0.619 3.395 -19.414 1.00 0.00 C ATOM 18 O TRP A 7 -0.301 2.732 -19.848 1.00 0.00 O ATOM 19 CB TRP A 7 -0.489 5.640 -19.193 1.00 0.00 C ATOM 20 CG TRP A 7 -0.505 5.572 -17.700 1.00 0.00 C ATOM 21 CD1 TRP A 7 0.521 5.135 -16.943 1.00 0.00 C ATOM 22 CD2 TRP A 7 -1.570 5.942 -16.775 1.00 0.00 C ATOM 23 NE1 TRP A 7 0.160 5.210 -15.610 1.00 0.00 N ATOM 24 CE2 TRP A 7 -1.120 5.701 -15.455 1.00 0.00 C ATOM 25 CE3 TRP A 7 -2.869 6.455 -16.950 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -1.927 5.962 -14.348 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -3.685 6.719 -15.835 1.00 0.00 C ATOM 28 CH2 TRP A 7 -3.214 6.472 -14.538 1.00 0.00 C ATOM 0 H TRP A 7 0.012 5.778 -21.522 1.00 0.00 H new ATOM 0 HA TRP A 7 1.659 5.238 -19.272 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -0.459 6.679 -19.520 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -1.403 5.205 -19.597 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.471 4.783 -17.317 1.00 0.00 H new ATOM 0 HE1 TRP A 7 0.766 4.936 -14.836 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.241 6.647 -17.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -1.560 5.771 -13.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -4.680 7.114 -15.979 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -3.846 6.676 -13.686 1.00 0.00 H new ATOM 39 N ALA A 8 1.542 2.861 -18.659 1.00 0.00 N ATOM 40 CA ALA A 8 1.472 1.412 -18.320 1.00 0.00 C ATOM 41 C ALA A 8 0.038 1.038 -17.956 1.00 0.00 C ATOM 42 O ALA A 8 -0.386 -0.088 -18.122 1.00 0.00 O ATOM 43 CB ALA A 8 2.388 1.241 -17.112 1.00 0.00 C ATOM 0 H ALA A 8 2.337 3.364 -18.265 1.00 0.00 H new ATOM 0 HA ALA A 8 1.775 0.775 -19.151 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.390 0.196 -16.802 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.401 1.542 -17.378 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.028 1.862 -16.292 1.00 0.00 H new ATOM 49 N VAL A 9 -0.718 1.985 -17.474 1.00 0.00 N ATOM 50 CA VAL A 9 -2.132 1.693 -17.116 1.00 0.00 C ATOM 51 C VAL A 9 -3.024 2.009 -18.320 1.00 0.00 C ATOM 52 O VAL A 9 -2.833 3.002 -18.995 1.00 0.00 O ATOM 53 CB VAL A 9 -2.448 2.616 -15.937 1.00 0.00 C ATOM 54 CG1 VAL A 9 -3.964 2.754 -15.782 1.00 0.00 C ATOM 55 CG2 VAL A 9 -1.855 2.017 -14.657 1.00 0.00 C ATOM 0 H VAL A 9 -0.418 2.946 -17.313 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.300 0.649 -16.850 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.015 3.600 -16.118 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.185 3.412 -14.942 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.386 3.176 -16.694 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.402 1.773 -15.600 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.077 2.670 -13.813 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.291 1.034 -14.479 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.775 1.920 -14.767 1.00 0.00 H new ATOM 65 N LYS A 10 -3.983 1.174 -18.611 1.00 0.00 N ATOM 66 CA LYS A 10 -4.857 1.440 -19.788 1.00 0.00 C ATOM 67 C LYS A 10 -6.139 2.153 -19.355 1.00 0.00 C ATOM 68 O LYS A 10 -6.392 2.320 -18.178 1.00 0.00 O ATOM 69 CB LYS A 10 -5.178 0.058 -20.364 1.00 0.00 C ATOM 70 CG LYS A 10 -4.350 -0.172 -21.631 1.00 0.00 C ATOM 71 CD LYS A 10 -4.414 -1.650 -22.025 1.00 0.00 C ATOM 72 CE LYS A 10 -4.002 -1.807 -23.491 1.00 0.00 C ATOM 73 NZ LYS A 10 -3.065 -2.964 -23.506 1.00 0.00 N ATOM 0 H LYS A 10 -4.198 0.325 -18.089 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.372 2.086 -20.520 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.958 -0.715 -19.628 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.241 -0.014 -20.593 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.730 0.448 -22.443 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.315 0.125 -21.460 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.754 -2.236 -21.386 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.424 -2.033 -21.877 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.868 -1.992 -24.127 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.520 -0.904 -23.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.739 -3.134 -24.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.247 -2.756 -22.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.554 -3.811 -23.152 1.00 0.00 H new ATOM 87 N PRO A 11 -6.906 2.549 -20.334 1.00 0.00 N ATOM 88 CA PRO A 11 -8.183 3.252 -20.065 1.00 0.00 C ATOM 89 C PRO A 11 -9.204 2.276 -19.483 1.00 0.00 C ATOM 90 O PRO A 11 -10.021 2.632 -18.656 1.00 0.00 O ATOM 91 CB PRO A 11 -8.619 3.740 -21.444 1.00 0.00 C ATOM 92 CG PRO A 11 -7.947 2.818 -22.410 1.00 0.00 C ATOM 93 CD PRO A 11 -6.658 2.377 -21.768 1.00 0.00 C ATOM 0 HA PRO A 11 -8.088 4.064 -19.344 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.703 3.703 -21.551 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.318 4.774 -21.610 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.582 1.960 -22.631 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.754 3.324 -23.356 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.423 1.341 -22.012 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.816 2.982 -22.104 1.00 0.00 H new ATOM 101 N GLU A 12 -9.155 1.045 -19.904 1.00 0.00 N ATOM 102 CA GLU A 12 -10.112 0.034 -19.370 1.00 0.00 C ATOM 103 C GLU A 12 -9.623 -0.449 -18.010 1.00 0.00 C ATOM 104 O GLU A 12 -10.394 -0.848 -17.160 1.00 0.00 O ATOM 105 CB GLU A 12 -10.104 -1.121 -20.378 1.00 0.00 C ATOM 106 CG GLU A 12 -9.969 -0.577 -21.801 1.00 0.00 C ATOM 107 CD GLU A 12 -11.010 -1.242 -22.703 1.00 0.00 C ATOM 108 OE1 GLU A 12 -12.183 -0.953 -22.532 1.00 0.00 O ATOM 109 OE2 GLU A 12 -10.618 -2.033 -23.545 1.00 0.00 O ATOM 0 H GLU A 12 -8.493 0.693 -20.596 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.115 0.441 -19.242 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.279 -1.799 -20.160 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.023 -1.699 -20.287 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.108 0.504 -21.803 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.966 -0.770 -22.182 1.00 0.00 H new ATOM 116 N ASP A 13 -8.339 -0.399 -17.796 1.00 0.00 N ATOM 117 CA ASP A 13 -7.786 -0.838 -16.489 1.00 0.00 C ATOM 118 C ASP A 13 -7.975 0.281 -15.474 1.00 0.00 C ATOM 119 O ASP A 13 -8.317 0.052 -14.333 1.00 0.00 O ATOM 120 CB ASP A 13 -6.300 -1.092 -16.749 1.00 0.00 C ATOM 121 CG ASP A 13 -6.022 -2.597 -16.710 1.00 0.00 C ATOM 122 OD1 ASP A 13 -6.872 -3.323 -16.221 1.00 0.00 O ATOM 123 OD2 ASP A 13 -4.964 -2.995 -17.167 1.00 0.00 O ATOM 0 H ASP A 13 -7.649 -0.072 -18.472 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.275 -1.728 -16.094 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.015 -0.684 -17.719 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.697 -0.581 -15.999 1.00 0.00 H new ATOM 128 N LYS A 14 -7.770 1.496 -15.892 1.00 0.00 N ATOM 129 CA LYS A 14 -7.951 2.638 -14.961 1.00 0.00 C ATOM 130 C LYS A 14 -9.440 2.846 -14.694 1.00 0.00 C ATOM 131 O LYS A 14 -9.832 3.439 -13.709 1.00 0.00 O ATOM 132 CB LYS A 14 -7.364 3.845 -15.687 1.00 0.00 C ATOM 133 CG LYS A 14 -7.745 5.124 -14.941 1.00 0.00 C ATOM 134 CD LYS A 14 -6.918 5.231 -13.658 1.00 0.00 C ATOM 135 CE LYS A 14 -7.192 6.577 -12.987 1.00 0.00 C ATOM 136 NZ LYS A 14 -8.468 6.381 -12.243 1.00 0.00 N ATOM 0 H LYS A 14 -7.485 1.747 -16.839 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.465 2.474 -13.999 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.279 3.755 -15.746 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.737 3.884 -16.711 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.568 5.994 -15.574 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.808 5.115 -14.701 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.172 4.416 -12.980 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.857 5.136 -13.888 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.381 6.855 -12.314 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.283 7.375 -13.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.171 7.073 -12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.824 5.419 -12.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.300 6.514 -11.225 1.00 0.00 H new ATOM 150 N ALA A 15 -10.270 2.349 -15.569 1.00 0.00 N ATOM 151 CA ALA A 15 -11.738 2.501 -15.373 1.00 0.00 C ATOM 152 C ALA A 15 -12.179 1.621 -14.209 1.00 0.00 C ATOM 153 O ALA A 15 -12.953 2.031 -13.366 1.00 0.00 O ATOM 154 CB ALA A 15 -12.369 2.024 -16.682 1.00 0.00 C ATOM 0 H ALA A 15 -9.994 1.844 -16.411 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.032 3.525 -15.142 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.454 2.106 -16.614 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.009 2.641 -17.505 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.095 0.984 -16.861 1.00 0.00 H new ATOM 160 N LYS A 16 -11.672 0.422 -14.138 1.00 0.00 N ATOM 161 CA LYS A 16 -12.046 -0.462 -13.008 1.00 0.00 C ATOM 162 C LYS A 16 -11.311 0.031 -11.761 1.00 0.00 C ATOM 163 O LYS A 16 -11.797 -0.073 -10.651 1.00 0.00 O ATOM 164 CB LYS A 16 -11.610 -1.869 -13.447 1.00 0.00 C ATOM 165 CG LYS A 16 -10.302 -2.272 -12.768 1.00 0.00 C ATOM 166 CD LYS A 16 -9.994 -3.737 -13.085 1.00 0.00 C ATOM 167 CE LYS A 16 -9.162 -3.814 -14.366 1.00 0.00 C ATOM 168 NZ LYS A 16 -9.065 -5.266 -14.681 1.00 0.00 N ATOM 0 H LYS A 16 -11.019 0.021 -14.811 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.109 -0.465 -12.765 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.390 -2.589 -13.199 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.485 -1.894 -14.530 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.488 -1.635 -13.115 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.381 -2.131 -11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.451 -4.194 -12.257 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.921 -4.297 -13.206 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.638 -3.266 -15.179 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.175 -3.375 -14.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.507 -5.396 -15.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.601 -5.762 -13.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.019 -5.655 -14.821 1.00 0.00 H new ATOM 182 N TYR A 17 -10.151 0.603 -11.951 1.00 0.00 N ATOM 183 CA TYR A 17 -9.388 1.147 -10.796 1.00 0.00 C ATOM 184 C TYR A 17 -10.183 2.301 -10.191 1.00 0.00 C ATOM 185 O TYR A 17 -10.271 2.456 -8.990 1.00 0.00 O ATOM 186 CB TYR A 17 -8.080 1.686 -11.383 1.00 0.00 C ATOM 187 CG TYR A 17 -7.254 0.574 -11.986 1.00 0.00 C ATOM 188 CD1 TYR A 17 -7.722 -0.745 -11.979 1.00 0.00 C ATOM 189 CD2 TYR A 17 -6.012 0.872 -12.559 1.00 0.00 C ATOM 190 CE1 TYR A 17 -6.948 -1.764 -12.545 1.00 0.00 C ATOM 191 CE2 TYR A 17 -5.236 -0.146 -13.124 1.00 0.00 C ATOM 192 CZ TYR A 17 -5.703 -1.465 -13.115 1.00 0.00 C ATOM 193 OH TYR A 17 -4.939 -2.470 -13.672 1.00 0.00 O ATOM 0 H TYR A 17 -9.701 0.716 -12.859 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.206 0.398 -10.025 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.301 2.433 -12.145 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.507 2.187 -10.603 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.680 -0.976 -11.537 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.652 1.890 -12.565 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.310 -2.781 -12.543 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.278 0.086 -13.566 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.527 -3.172 -14.022 1.00 0.00 H new ATOM 203 N ASP A 18 -10.760 3.114 -11.035 1.00 0.00 N ATOM 204 CA ASP A 18 -11.555 4.277 -10.541 1.00 0.00 C ATOM 205 C ASP A 18 -12.873 3.803 -9.937 1.00 0.00 C ATOM 206 O ASP A 18 -13.591 4.561 -9.316 1.00 0.00 O ATOM 207 CB ASP A 18 -11.813 5.130 -11.782 1.00 0.00 C ATOM 208 CG ASP A 18 -12.747 6.289 -11.422 1.00 0.00 C ATOM 209 OD1 ASP A 18 -13.950 6.107 -11.517 1.00 0.00 O ATOM 210 OD2 ASP A 18 -12.243 7.338 -11.059 1.00 0.00 O ATOM 0 H ASP A 18 -10.715 3.023 -12.050 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.033 4.832 -9.761 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.872 5.516 -12.173 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.259 4.521 -12.568 1.00 0.00 H new ATOM 215 N ALA A 19 -13.186 2.550 -10.090 1.00 0.00 N ATOM 216 CA ALA A 19 -14.445 2.024 -9.500 1.00 0.00 C ATOM 217 C ALA A 19 -14.096 1.417 -8.154 1.00 0.00 C ATOM 218 O ALA A 19 -14.847 1.483 -7.202 1.00 0.00 O ATOM 219 CB ALA A 19 -14.936 0.953 -10.471 1.00 0.00 C ATOM 0 H ALA A 19 -12.625 1.867 -10.598 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.212 2.784 -9.352 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.864 0.521 -10.097 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -15.112 1.402 -11.449 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.182 0.171 -10.561 1.00 0.00 H new ATOM 225 N ILE A 20 -12.927 0.855 -8.075 1.00 0.00 N ATOM 226 CA ILE A 20 -12.457 0.269 -6.808 1.00 0.00 C ATOM 227 C ILE A 20 -11.952 1.409 -5.925 1.00 0.00 C ATOM 228 O ILE A 20 -11.997 1.347 -4.712 1.00 0.00 O ATOM 229 CB ILE A 20 -11.319 -0.651 -7.233 1.00 0.00 C ATOM 230 CG1 ILE A 20 -11.890 -1.890 -7.927 1.00 0.00 C ATOM 231 CG2 ILE A 20 -10.525 -1.074 -6.010 1.00 0.00 C ATOM 232 CD1 ILE A 20 -10.823 -2.502 -8.838 1.00 0.00 C ATOM 0 H ILE A 20 -12.270 0.779 -8.852 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.217 -0.273 -6.245 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.665 -0.120 -7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.212 -2.620 -7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -12.770 -1.620 -8.510 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -9.711 -1.732 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.114 -0.191 -5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.179 -1.603 -5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -11.229 -3.384 -9.332 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -10.523 -1.771 -9.589 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.956 -2.787 -8.242 1.00 0.00 H new ATOM 244 N PHE A 21 -11.496 2.467 -6.546 1.00 0.00 N ATOM 245 CA PHE A 21 -11.008 3.646 -5.779 1.00 0.00 C ATOM 246 C PHE A 21 -12.219 4.415 -5.240 1.00 0.00 C ATOM 247 O PHE A 21 -12.221 4.905 -4.128 1.00 0.00 O ATOM 248 CB PHE A 21 -10.215 4.480 -6.802 1.00 0.00 C ATOM 249 CG PHE A 21 -10.384 5.963 -6.532 1.00 0.00 C ATOM 250 CD1 PHE A 21 -11.557 6.614 -6.931 1.00 0.00 C ATOM 251 CD2 PHE A 21 -9.370 6.682 -5.888 1.00 0.00 C ATOM 252 CE1 PHE A 21 -11.718 7.983 -6.686 1.00 0.00 C ATOM 253 CE2 PHE A 21 -9.530 8.052 -5.643 1.00 0.00 C ATOM 254 CZ PHE A 21 -10.704 8.703 -6.042 1.00 0.00 C ATOM 0 H PHE A 21 -11.442 2.562 -7.560 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.385 3.386 -4.923 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.159 4.215 -6.754 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.557 4.248 -7.811 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.339 6.060 -7.429 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.464 6.181 -5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -12.624 8.484 -6.994 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.748 8.606 -5.146 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.827 9.759 -5.853 1.00 0.00 H new ATOM 264 N ASP A 22 -13.247 4.510 -6.034 1.00 0.00 N ATOM 265 CA ASP A 22 -14.474 5.232 -5.599 1.00 0.00 C ATOM 266 C ASP A 22 -15.407 4.277 -4.849 1.00 0.00 C ATOM 267 O ASP A 22 -16.466 4.660 -4.392 1.00 0.00 O ATOM 268 CB ASP A 22 -15.128 5.715 -6.894 1.00 0.00 C ATOM 269 CG ASP A 22 -16.493 6.330 -6.578 1.00 0.00 C ATOM 270 OD1 ASP A 22 -16.677 6.769 -5.455 1.00 0.00 O ATOM 271 OD2 ASP A 22 -17.330 6.350 -7.465 1.00 0.00 O ATOM 0 H ASP A 22 -13.290 4.115 -6.974 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.252 6.058 -4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.490 6.451 -7.383 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.244 4.882 -7.588 1.00 0.00 H new ATOM 276 N SER A 23 -15.015 3.040 -4.707 1.00 0.00 N ATOM 277 CA SER A 23 -15.870 2.065 -3.970 1.00 0.00 C ATOM 278 C SER A 23 -15.497 2.088 -2.487 1.00 0.00 C ATOM 279 O SER A 23 -16.144 1.483 -1.656 1.00 0.00 O ATOM 280 CB SER A 23 -15.545 0.706 -4.587 1.00 0.00 C ATOM 281 OG SER A 23 -16.632 0.286 -5.401 1.00 0.00 O ATOM 0 H SER A 23 -14.140 2.662 -5.069 1.00 0.00 H new ATOM 0 HA SER A 23 -16.933 2.293 -4.044 1.00 0.00 H new ATOM 0 HB2 SER A 23 -14.635 0.773 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 23 -15.359 -0.027 -3.802 1.00 0.00 H new ATOM 0 HG SER A 23 -16.448 0.514 -6.336 1.00 0.00 H new ATOM 287 N LEU A 24 -14.451 2.793 -2.160 1.00 0.00 N ATOM 288 CA LEU A 24 -14.003 2.887 -0.744 1.00 0.00 C ATOM 289 C LEU A 24 -14.368 4.263 -0.195 1.00 0.00 C ATOM 290 O LEU A 24 -14.322 4.499 0.995 1.00 0.00 O ATOM 291 CB LEU A 24 -12.478 2.743 -0.783 1.00 0.00 C ATOM 292 CG LEU A 24 -12.045 1.792 -1.903 1.00 0.00 C ATOM 293 CD1 LEU A 24 -10.544 1.943 -2.145 1.00 0.00 C ATOM 294 CD2 LEU A 24 -12.337 0.356 -1.486 1.00 0.00 C ATOM 0 H LEU A 24 -13.880 3.315 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.467 2.128 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.021 3.721 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.120 2.368 0.176 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.592 2.032 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.234 1.267 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.324 2.970 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.002 1.700 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.030 -0.323 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.785 0.122 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.405 0.240 -1.302 1.00 0.00 H new ATOM 306 N SER A 25 -14.706 5.169 -1.083 1.00 0.00 N ATOM 307 CA SER A 25 -15.071 6.575 -0.700 1.00 0.00 C ATOM 308 C SER A 25 -13.822 7.456 -0.709 1.00 0.00 C ATOM 309 O SER A 25 -13.064 7.484 0.241 1.00 0.00 O ATOM 310 CB SER A 25 -15.686 6.525 0.695 1.00 0.00 C ATOM 311 OG SER A 25 -16.477 7.688 0.904 1.00 0.00 O ATOM 0 H SER A 25 -14.745 4.988 -2.086 1.00 0.00 H new ATOM 0 HA SER A 25 -15.783 7.000 -1.408 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.299 5.630 0.802 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.901 6.465 1.449 1.00 0.00 H new ATOM 0 HG SER A 25 -16.874 7.657 1.799 1.00 0.00 H new ATOM 317 N PRO A 26 -13.660 8.139 -1.804 1.00 0.00 N ATOM 318 CA PRO A 26 -12.501 9.042 -1.994 1.00 0.00 C ATOM 319 C PRO A 26 -12.673 10.320 -1.177 1.00 0.00 C ATOM 320 O PRO A 26 -13.773 10.764 -0.918 1.00 0.00 O ATOM 321 CB PRO A 26 -12.533 9.353 -3.486 1.00 0.00 C ATOM 322 CG PRO A 26 -13.959 9.159 -3.892 1.00 0.00 C ATOM 323 CD PRO A 26 -14.550 8.130 -2.964 1.00 0.00 C ATOM 0 HA PRO A 26 -11.560 8.598 -1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.202 10.372 -3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.871 8.689 -4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.509 10.098 -3.826 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.022 8.825 -4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.572 8.387 -2.684 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.585 7.146 -3.431 1.00 0.00 H new ATOM 331 N VAL A 27 -11.588 10.918 -0.784 1.00 0.00 N ATOM 332 CA VAL A 27 -11.674 12.177 0.002 1.00 0.00 C ATOM 333 C VAL A 27 -11.006 13.303 -0.781 1.00 0.00 C ATOM 334 O VAL A 27 -9.797 13.375 -0.874 1.00 0.00 O ATOM 335 CB VAL A 27 -10.920 11.891 1.299 1.00 0.00 C ATOM 336 CG1 VAL A 27 -11.087 13.072 2.258 1.00 0.00 C ATOM 337 CG2 VAL A 27 -11.489 10.627 1.944 1.00 0.00 C ATOM 0 H VAL A 27 -10.641 10.589 -0.973 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.701 12.484 0.202 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.861 11.747 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.549 12.868 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.686 13.975 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.145 13.216 2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.954 10.419 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.547 10.774 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.373 9.786 1.261 1.00 0.00 H new ATOM 347 N ASN A 28 -11.786 14.172 -1.362 1.00 0.00 N ATOM 348 CA ASN A 28 -11.200 15.284 -2.158 1.00 0.00 C ATOM 349 C ASN A 28 -10.337 14.710 -3.291 1.00 0.00 C ATOM 350 O ASN A 28 -9.558 15.408 -3.910 1.00 0.00 O ATOM 351 CB ASN A 28 -10.356 16.086 -1.160 1.00 0.00 C ATOM 352 CG ASN A 28 -9.364 16.972 -1.913 1.00 0.00 C ATOM 353 OD1 ASN A 28 -9.753 17.913 -2.577 1.00 0.00 O ATOM 354 ND2 ASN A 28 -8.089 16.710 -1.835 1.00 0.00 N ATOM 0 H ASN A 28 -12.805 14.159 -1.319 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.955 15.913 -2.629 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.003 16.700 -0.534 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.820 15.408 -0.496 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.417 17.295 -2.331 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.764 15.920 -1.278 1.00 0.00 H new ATOM 361 N GLY A 29 -10.483 13.441 -3.575 1.00 0.00 N ATOM 362 CA GLY A 29 -9.684 12.825 -4.673 1.00 0.00 C ATOM 363 C GLY A 29 -8.577 11.943 -4.087 1.00 0.00 C ATOM 364 O GLY A 29 -7.511 11.819 -4.654 1.00 0.00 O ATOM 0 H GLY A 29 -11.121 12.807 -3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.333 12.229 -5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.247 13.605 -5.297 1.00 0.00 H new ATOM 368 N PHE A 30 -8.813 11.330 -2.957 1.00 0.00 N ATOM 369 CA PHE A 30 -7.755 10.465 -2.354 1.00 0.00 C ATOM 370 C PHE A 30 -8.348 9.320 -1.540 1.00 0.00 C ATOM 371 O PHE A 30 -9.381 9.447 -0.916 1.00 0.00 O ATOM 372 CB PHE A 30 -6.968 11.385 -1.426 1.00 0.00 C ATOM 373 CG PHE A 30 -6.215 12.378 -2.261 1.00 0.00 C ATOM 374 CD1 PHE A 30 -5.020 12.000 -2.875 1.00 0.00 C ATOM 375 CD2 PHE A 30 -6.718 13.668 -2.432 1.00 0.00 C ATOM 376 CE1 PHE A 30 -4.321 12.919 -3.666 1.00 0.00 C ATOM 377 CE2 PHE A 30 -6.025 14.588 -3.221 1.00 0.00 C ATOM 378 CZ PHE A 30 -4.824 14.215 -3.839 1.00 0.00 C ATOM 0 H PHE A 30 -9.684 11.389 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.142 10.010 -3.132 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.643 11.900 -0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.277 10.804 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.635 11.000 -2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.643 13.955 -1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.396 12.630 -4.142 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.414 15.586 -3.355 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.286 14.926 -4.448 1.00 0.00 H new ATOM 388 N LEU A 31 -7.657 8.219 -1.504 1.00 0.00 N ATOM 389 CA LEU A 31 -8.123 7.067 -0.685 1.00 0.00 C ATOM 390 C LEU A 31 -7.111 6.856 0.426 1.00 0.00 C ATOM 391 O LEU A 31 -5.922 6.899 0.196 1.00 0.00 O ATOM 392 CB LEU A 31 -8.134 5.843 -1.595 1.00 0.00 C ATOM 393 CG LEU A 31 -9.418 5.781 -2.414 1.00 0.00 C ATOM 394 CD1 LEU A 31 -9.511 4.394 -3.030 1.00 0.00 C ATOM 395 CD2 LEU A 31 -10.637 6.000 -1.518 1.00 0.00 C ATOM 0 H LEU A 31 -6.784 8.065 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.113 7.238 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.274 5.875 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.038 4.938 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.401 6.557 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.422 4.320 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.646 4.222 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.532 3.645 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.544 5.952 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.669 5.226 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.568 6.978 -1.043 1.00 0.00 H new ATOM 407 N SER A 32 -7.551 6.630 1.615 1.00 0.00 N ATOM 408 CA SER A 32 -6.576 6.423 2.716 1.00 0.00 C ATOM 409 C SER A 32 -6.085 4.983 2.706 1.00 0.00 C ATOM 410 O SER A 32 -6.836 4.069 2.449 1.00 0.00 O ATOM 411 CB SER A 32 -7.346 6.729 3.999 1.00 0.00 C ATOM 412 OG SER A 32 -8.727 6.453 3.794 1.00 0.00 O ATOM 0 H SER A 32 -8.535 6.578 1.880 1.00 0.00 H new ATOM 0 HA SER A 32 -5.697 7.060 2.619 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.961 6.126 4.821 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.209 7.774 4.279 1.00 0.00 H new ATOM 0 HG SER A 32 -9.225 6.646 4.616 1.00 0.00 H new ATOM 418 N GLY A 33 -4.828 4.771 2.977 1.00 0.00 N ATOM 419 CA GLY A 33 -4.301 3.375 2.986 1.00 0.00 C ATOM 420 C GLY A 33 -5.306 2.478 3.711 1.00 0.00 C ATOM 421 O GLY A 33 -5.407 1.296 3.449 1.00 0.00 O ATOM 0 H GLY A 33 -4.145 5.498 3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.146 3.023 1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.333 3.339 3.486 1.00 0.00 H new ATOM 425 N ASP A 34 -6.058 3.044 4.617 1.00 0.00 N ATOM 426 CA ASP A 34 -7.072 2.245 5.361 1.00 0.00 C ATOM 427 C ASP A 34 -8.137 1.718 4.395 1.00 0.00 C ATOM 428 O ASP A 34 -8.786 0.726 4.657 1.00 0.00 O ATOM 429 CB ASP A 34 -7.690 3.223 6.363 1.00 0.00 C ATOM 430 CG ASP A 34 -8.803 2.523 7.146 1.00 0.00 C ATOM 431 OD1 ASP A 34 -8.707 1.321 7.327 1.00 0.00 O ATOM 432 OD2 ASP A 34 -9.733 3.202 7.551 1.00 0.00 O ATOM 0 H ASP A 34 -6.012 4.030 4.874 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.635 1.378 5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.925 3.589 7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.091 4.091 5.839 1.00 0.00 H new ATOM 437 N LYS A 35 -8.311 2.363 3.272 1.00 0.00 N ATOM 438 CA LYS A 35 -9.312 1.890 2.290 1.00 0.00 C ATOM 439 C LYS A 35 -8.587 1.084 1.220 1.00 0.00 C ATOM 440 O LYS A 35 -9.085 0.099 0.715 1.00 0.00 O ATOM 441 CB LYS A 35 -9.913 3.168 1.708 1.00 0.00 C ATOM 442 CG LYS A 35 -10.716 3.886 2.793 1.00 0.00 C ATOM 443 CD LYS A 35 -11.775 4.777 2.143 1.00 0.00 C ATOM 444 CE LYS A 35 -11.654 6.200 2.690 1.00 0.00 C ATOM 445 NZ LYS A 35 -12.196 6.126 4.075 1.00 0.00 N ATOM 0 H LYS A 35 -7.797 3.200 2.997 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.085 1.251 2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.122 3.818 1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.556 2.929 0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.192 3.157 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.051 4.487 3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.647 4.781 1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.771 4.382 2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.617 6.537 2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.219 6.906 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.944 6.839 4.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.590 5.178 4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.432 6.309 4.757 1.00 0.00 H new ATOM 459 N VAL A 36 -7.396 1.498 0.891 1.00 0.00 N ATOM 460 CA VAL A 36 -6.609 0.759 -0.132 1.00 0.00 C ATOM 461 C VAL A 36 -6.019 -0.513 0.476 1.00 0.00 C ATOM 462 O VAL A 36 -5.999 -1.560 -0.137 1.00 0.00 O ATOM 463 CB VAL A 36 -5.482 1.704 -0.517 1.00 0.00 C ATOM 464 CG1 VAL A 36 -4.557 0.999 -1.507 1.00 0.00 C ATOM 465 CG2 VAL A 36 -6.068 2.969 -1.147 1.00 0.00 C ATOM 0 H VAL A 36 -6.934 2.317 1.287 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.222 0.466 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.912 1.985 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.746 1.670 -1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.143 0.103 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.121 0.719 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.260 3.646 -1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.637 2.702 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.725 3.462 -0.430 1.00 0.00 H new ATOM 475 N LYS A 37 -5.515 -0.415 1.674 1.00 0.00 N ATOM 476 CA LYS A 37 -4.897 -1.599 2.327 1.00 0.00 C ATOM 477 C LYS A 37 -5.726 -2.869 2.082 1.00 0.00 C ATOM 478 O LYS A 37 -5.204 -3.856 1.605 1.00 0.00 O ATOM 479 CB LYS A 37 -4.844 -1.251 3.816 1.00 0.00 C ATOM 480 CG LYS A 37 -4.579 -2.517 4.634 1.00 0.00 C ATOM 481 CD LYS A 37 -4.164 -2.125 6.054 1.00 0.00 C ATOM 482 CE LYS A 37 -3.099 -3.098 6.566 1.00 0.00 C ATOM 483 NZ LYS A 37 -2.681 -2.546 7.885 1.00 0.00 N ATOM 0 H LYS A 37 -5.505 0.440 2.231 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.907 -1.811 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.059 -0.517 4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.785 -0.796 4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.474 -3.139 4.663 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.794 -3.110 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.774 -1.107 6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.031 -2.139 6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.501 -4.106 6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.256 -3.159 5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.951 -3.158 8.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.297 -1.588 7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.503 -2.506 8.521 1.00 0.00 H new ATOM 497 N PRO A 38 -6.993 -2.809 2.408 1.00 0.00 N ATOM 498 CA PRO A 38 -7.880 -3.986 2.202 1.00 0.00 C ATOM 499 C PRO A 38 -8.075 -4.235 0.708 1.00 0.00 C ATOM 500 O PRO A 38 -8.174 -5.359 0.257 1.00 0.00 O ATOM 501 CB PRO A 38 -9.189 -3.567 2.866 1.00 0.00 C ATOM 502 CG PRO A 38 -9.165 -2.075 2.849 1.00 0.00 C ATOM 503 CD PRO A 38 -7.720 -1.670 2.983 1.00 0.00 C ATOM 0 HA PRO A 38 -7.481 -4.911 2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.050 -3.955 2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.256 -3.950 3.884 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.592 -1.690 1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.760 -1.668 3.667 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.510 -0.746 2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.445 -1.502 4.024 1.00 0.00 H new ATOM 511 N VAL A 39 -8.123 -3.186 -0.062 1.00 0.00 N ATOM 512 CA VAL A 39 -8.303 -3.336 -1.532 1.00 0.00 C ATOM 513 C VAL A 39 -7.140 -4.144 -2.119 1.00 0.00 C ATOM 514 O VAL A 39 -7.273 -4.782 -3.144 1.00 0.00 O ATOM 515 CB VAL A 39 -8.312 -1.893 -2.057 1.00 0.00 C ATOM 516 CG1 VAL A 39 -7.859 -1.830 -3.522 1.00 0.00 C ATOM 517 CG2 VAL A 39 -9.730 -1.330 -1.948 1.00 0.00 C ATOM 0 H VAL A 39 -8.045 -2.223 0.266 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.213 -3.871 -1.806 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.618 -1.305 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.876 -0.795 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.846 -2.223 -3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.533 -2.427 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.744 -0.305 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.410 -1.940 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.047 -1.343 -0.905 1.00 0.00 H new ATOM 527 N LEU A 40 -6.002 -4.121 -1.484 1.00 0.00 N ATOM 528 CA LEU A 40 -4.838 -4.887 -2.016 1.00 0.00 C ATOM 529 C LEU A 40 -4.729 -6.240 -1.314 1.00 0.00 C ATOM 530 O LEU A 40 -4.258 -7.206 -1.880 1.00 0.00 O ATOM 531 CB LEU A 40 -3.620 -4.023 -1.709 1.00 0.00 C ATOM 532 CG LEU A 40 -3.898 -2.588 -2.143 1.00 0.00 C ATOM 533 CD1 LEU A 40 -2.764 -1.680 -1.660 1.00 0.00 C ATOM 534 CD2 LEU A 40 -3.989 -2.539 -3.670 1.00 0.00 C ATOM 0 H LEU A 40 -5.826 -3.606 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.932 -5.091 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.396 -4.056 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.745 -4.410 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.838 -2.244 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.962 -0.654 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.700 -1.725 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.821 -2.014 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.188 -1.516 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.047 -2.878 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.797 -3.188 -4.007 1.00 0.00 H new ATOM 546 N LEU A 41 -5.177 -6.323 -0.093 1.00 0.00 N ATOM 547 CA LEU A 41 -5.111 -7.619 0.627 1.00 0.00 C ATOM 548 C LEU A 41 -6.101 -8.578 -0.009 1.00 0.00 C ATOM 549 O LEU A 41 -6.034 -9.779 0.173 1.00 0.00 O ATOM 550 CB LEU A 41 -5.526 -7.307 2.061 1.00 0.00 C ATOM 551 CG LEU A 41 -4.468 -6.424 2.712 1.00 0.00 C ATOM 552 CD1 LEU A 41 -5.043 -5.801 3.985 1.00 0.00 C ATOM 553 CD2 LEU A 41 -3.246 -7.276 3.058 1.00 0.00 C ATOM 0 H LEU A 41 -5.584 -5.551 0.434 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.121 -8.075 0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.492 -6.803 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.643 -8.231 2.627 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.173 -5.631 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.289 -5.169 4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.916 -5.199 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.335 -6.591 4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.486 -6.649 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.538 -8.067 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.842 -7.720 2.148 1.00 0.00 H new ATOM 565 N ASN A 42 -7.024 -8.052 -0.762 1.00 0.00 N ATOM 566 CA ASN A 42 -8.020 -8.930 -1.415 1.00 0.00 C ATOM 567 C ASN A 42 -7.408 -9.553 -2.674 1.00 0.00 C ATOM 568 O ASN A 42 -7.997 -10.403 -3.311 1.00 0.00 O ATOM 569 CB ASN A 42 -9.188 -8.011 -1.772 1.00 0.00 C ATOM 570 CG ASN A 42 -10.414 -8.395 -0.941 1.00 0.00 C ATOM 571 OD1 ASN A 42 -10.947 -9.477 -1.090 1.00 0.00 O ATOM 572 ND2 ASN A 42 -10.889 -7.549 -0.068 1.00 0.00 N ATOM 0 H ASN A 42 -7.128 -7.055 -0.951 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.342 -9.752 -0.775 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.918 -6.972 -1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.416 -8.092 -2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.707 -7.796 0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.442 -6.641 0.057 1.00 0.00 H new ATOM 579 N SER A 43 -6.225 -9.129 -3.032 1.00 0.00 N ATOM 580 CA SER A 43 -5.558 -9.683 -4.243 1.00 0.00 C ATOM 581 C SER A 43 -4.803 -10.966 -3.888 1.00 0.00 C ATOM 582 O SER A 43 -3.984 -11.448 -4.645 1.00 0.00 O ATOM 583 CB SER A 43 -4.586 -8.591 -4.680 1.00 0.00 C ATOM 584 OG SER A 43 -5.067 -7.333 -4.228 1.00 0.00 O ATOM 0 H SER A 43 -5.690 -8.418 -2.533 1.00 0.00 H new ATOM 0 HA SER A 43 -6.266 -9.942 -5.030 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.595 -8.784 -4.270 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.487 -8.588 -5.765 1.00 0.00 H new ATOM 0 HG SER A 43 -4.491 -7.002 -3.507 1.00 0.00 H new ATOM 590 N LYS A 44 -5.072 -11.522 -2.738 1.00 0.00 N ATOM 591 CA LYS A 44 -4.371 -12.774 -2.331 1.00 0.00 C ATOM 592 C LYS A 44 -2.858 -12.546 -2.299 1.00 0.00 C ATOM 593 O LYS A 44 -2.080 -13.480 -2.277 1.00 0.00 O ATOM 594 CB LYS A 44 -4.738 -13.799 -3.403 1.00 0.00 C ATOM 595 CG LYS A 44 -5.854 -14.703 -2.879 1.00 0.00 C ATOM 596 CD LYS A 44 -5.318 -15.556 -1.728 1.00 0.00 C ATOM 597 CE LYS A 44 -6.489 -16.133 -0.930 1.00 0.00 C ATOM 598 NZ LYS A 44 -5.858 -16.887 0.187 1.00 0.00 N ATOM 0 H LYS A 44 -5.747 -11.164 -2.062 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.662 -13.106 -1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.062 -13.291 -4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.865 -14.396 -3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.696 -14.100 -2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.224 -15.344 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.698 -16.363 -2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.684 -14.952 -1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.139 -15.342 -0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.105 -16.786 -1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.598 -17.313 0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.250 -17.637 -0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.284 -16.239 0.763 1.00 0.00 H new ATOM 612 N LEU A 45 -2.436 -11.313 -2.292 1.00 0.00 N ATOM 613 CA LEU A 45 -0.975 -11.020 -2.257 1.00 0.00 C ATOM 614 C LEU A 45 -0.530 -10.753 -0.822 1.00 0.00 C ATOM 615 O LEU A 45 -1.311 -10.318 0.001 1.00 0.00 O ATOM 616 CB LEU A 45 -0.797 -9.762 -3.104 1.00 0.00 C ATOM 617 CG LEU A 45 -0.648 -10.150 -4.574 1.00 0.00 C ATOM 618 CD1 LEU A 45 -0.584 -8.882 -5.427 1.00 0.00 C ATOM 619 CD2 LEU A 45 0.638 -10.960 -4.761 1.00 0.00 C ATOM 0 H LEU A 45 -3.041 -10.492 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.381 -11.853 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.655 -9.102 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.082 -9.210 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.502 -10.753 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.478 -9.155 -6.477 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.500 -8.306 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.271 -8.280 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.744 -11.237 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.494 -10.359 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.592 -11.862 -4.151 1.00 0.00 H new ATOM 631 N PRO A 46 0.719 -11.017 -0.574 1.00 0.00 N ATOM 632 CA PRO A 46 1.280 -10.795 0.771 1.00 0.00 C ATOM 633 C PRO A 46 1.516 -9.298 0.997 1.00 0.00 C ATOM 634 O PRO A 46 1.316 -8.491 0.113 1.00 0.00 O ATOM 635 CB PRO A 46 2.594 -11.568 0.741 1.00 0.00 C ATOM 636 CG PRO A 46 2.980 -11.640 -0.701 1.00 0.00 C ATOM 637 CD PRO A 46 1.714 -11.540 -1.513 1.00 0.00 C ATOM 0 HA PRO A 46 0.626 -11.124 1.579 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.361 -11.062 1.328 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.473 -12.565 1.165 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.664 -10.831 -0.956 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.499 -12.575 -0.913 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.842 -10.876 -2.368 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.417 -12.512 -1.907 1.00 0.00 H new ATOM 645 N VAL A 47 1.942 -8.923 2.168 1.00 0.00 N ATOM 646 CA VAL A 47 2.192 -7.486 2.450 1.00 0.00 C ATOM 647 C VAL A 47 3.477 -7.046 1.740 1.00 0.00 C ATOM 648 O VAL A 47 3.849 -5.890 1.767 1.00 0.00 O ATOM 649 CB VAL A 47 2.337 -7.423 3.980 1.00 0.00 C ATOM 650 CG1 VAL A 47 3.382 -6.377 4.388 1.00 0.00 C ATOM 651 CG2 VAL A 47 0.988 -7.056 4.598 1.00 0.00 C ATOM 0 H VAL A 47 2.129 -9.555 2.947 1.00 0.00 H new ATOM 0 HA VAL A 47 1.401 -6.825 2.097 1.00 0.00 H new ATOM 0 HB VAL A 47 2.664 -8.399 4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.466 -6.351 5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.347 -6.639 3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.076 -5.396 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.085 -7.010 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.667 -6.085 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.248 -7.811 4.332 1.00 0.00 H new ATOM 661 N ASP A 48 4.151 -7.962 1.101 1.00 0.00 N ATOM 662 CA ASP A 48 5.403 -7.601 0.389 1.00 0.00 C ATOM 663 C ASP A 48 5.051 -6.997 -0.964 1.00 0.00 C ATOM 664 O ASP A 48 5.711 -6.102 -1.452 1.00 0.00 O ATOM 665 CB ASP A 48 6.159 -8.917 0.219 1.00 0.00 C ATOM 666 CG ASP A 48 6.210 -9.654 1.559 1.00 0.00 C ATOM 667 OD1 ASP A 48 7.142 -9.416 2.309 1.00 0.00 O ATOM 668 OD2 ASP A 48 5.315 -10.445 1.812 1.00 0.00 O ATOM 0 H ASP A 48 3.886 -8.945 1.043 1.00 0.00 H new ATOM 0 HA ASP A 48 6.003 -6.868 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.667 -9.537 -0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.170 -8.724 -0.141 1.00 0.00 H new ATOM 673 N ILE A 49 3.994 -7.467 -1.563 1.00 0.00 N ATOM 674 CA ILE A 49 3.581 -6.904 -2.873 1.00 0.00 C ATOM 675 C ILE A 49 2.778 -5.639 -2.621 1.00 0.00 C ATOM 676 O ILE A 49 2.916 -4.645 -3.305 1.00 0.00 O ATOM 677 CB ILE A 49 2.698 -7.960 -3.531 1.00 0.00 C ATOM 678 CG1 ILE A 49 3.283 -9.352 -3.299 1.00 0.00 C ATOM 679 CG2 ILE A 49 2.628 -7.682 -5.030 1.00 0.00 C ATOM 680 CD1 ILE A 49 4.733 -9.381 -3.766 1.00 0.00 C ATOM 0 H ILE A 49 3.401 -8.214 -1.202 1.00 0.00 H new ATOM 0 HA ILE A 49 4.433 -6.659 -3.507 1.00 0.00 H new ATOM 0 HB ILE A 49 1.699 -7.920 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.226 -9.610 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.701 -10.097 -3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.999 -8.432 -5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.204 -6.692 -5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.631 -7.724 -5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.149 -10.375 -3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.778 -9.142 -4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.311 -8.647 -3.204 1.00 0.00 H new ATOM 692 N LEU A 50 1.948 -5.675 -1.621 1.00 0.00 N ATOM 693 CA LEU A 50 1.139 -4.480 -1.288 1.00 0.00 C ATOM 694 C LEU A 50 2.048 -3.441 -0.647 1.00 0.00 C ATOM 695 O LEU A 50 1.837 -2.250 -0.766 1.00 0.00 O ATOM 696 CB LEU A 50 0.096 -4.966 -0.292 1.00 0.00 C ATOM 697 CG LEU A 50 -0.558 -6.253 -0.803 1.00 0.00 C ATOM 698 CD1 LEU A 50 -1.686 -6.665 0.144 1.00 0.00 C ATOM 699 CD2 LEU A 50 -1.123 -6.016 -2.204 1.00 0.00 C ATOM 0 H LEU A 50 1.796 -6.484 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 50 0.669 -4.025 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.562 -5.145 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.662 -4.197 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 50 0.187 -7.048 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.151 -7.581 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.280 -6.836 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.432 -5.872 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.589 -6.932 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.867 -5.221 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.316 -5.726 -2.877 1.00 0.00 H new ATOM 711 N GLY A 51 3.081 -3.889 0.013 1.00 0.00 N ATOM 712 CA GLY A 51 4.028 -2.928 0.638 1.00 0.00 C ATOM 713 C GLY A 51 4.714 -2.170 -0.484 1.00 0.00 C ATOM 714 O GLY A 51 5.178 -1.063 -0.317 1.00 0.00 O ATOM 0 H GLY A 51 3.308 -4.875 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.498 -2.241 1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.761 -3.454 1.249 1.00 0.00 H new ATOM 718 N ARG A 52 4.759 -2.768 -1.634 1.00 0.00 N ATOM 719 CA ARG A 52 5.386 -2.104 -2.803 1.00 0.00 C ATOM 720 C ARG A 52 4.306 -1.533 -3.716 1.00 0.00 C ATOM 721 O ARG A 52 4.444 -0.453 -4.252 1.00 0.00 O ATOM 722 CB ARG A 52 6.163 -3.207 -3.514 1.00 0.00 C ATOM 723 CG ARG A 52 7.664 -2.927 -3.410 1.00 0.00 C ATOM 724 CD ARG A 52 8.441 -4.226 -3.639 1.00 0.00 C ATOM 725 NE ARG A 52 8.469 -4.896 -2.310 1.00 0.00 N ATOM 726 CZ ARG A 52 9.599 -5.045 -1.677 1.00 0.00 C ATOM 727 NH1 ARG A 52 10.455 -5.945 -2.077 1.00 0.00 N ATOM 728 NH2 ARG A 52 9.873 -4.294 -0.647 1.00 0.00 N ATOM 0 H ARG A 52 4.384 -3.699 -1.817 1.00 0.00 H new ATOM 0 HA ARG A 52 6.033 -1.275 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.932 -4.174 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.864 -3.259 -4.561 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.958 -2.180 -4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.901 -2.517 -2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.953 -4.852 -4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.449 -4.025 -4.001 1.00 0.00 H new ATOM 0 HE ARG A 52 7.603 -5.239 -1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.240 -6.531 -2.884 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.340 -6.063 -1.583 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.203 -3.590 -0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.757 -4.410 -0.152 1.00 0.00 H new ATOM 742 N VAL A 53 3.225 -2.244 -3.901 1.00 0.00 N ATOM 743 CA VAL A 53 2.155 -1.720 -4.791 1.00 0.00 C ATOM 744 C VAL A 53 1.687 -0.360 -4.288 1.00 0.00 C ATOM 745 O VAL A 53 1.539 0.572 -5.051 1.00 0.00 O ATOM 746 CB VAL A 53 1.043 -2.765 -4.731 1.00 0.00 C ATOM 747 CG1 VAL A 53 -0.299 -2.149 -5.151 1.00 0.00 C ATOM 748 CG2 VAL A 53 1.402 -3.908 -5.682 1.00 0.00 C ATOM 0 H VAL A 53 3.040 -3.154 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 53 2.490 -1.567 -5.817 1.00 0.00 H new ATOM 0 HB VAL A 53 0.946 -3.135 -3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.079 -2.909 -5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.549 -1.328 -4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.223 -1.772 -6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.619 -4.665 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.495 -3.521 -6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.348 -4.353 -5.375 1.00 0.00 H new ATOM 758 N TRP A 54 1.462 -0.227 -3.012 1.00 0.00 N ATOM 759 CA TRP A 54 1.018 1.092 -2.498 1.00 0.00 C ATOM 760 C TRP A 54 2.117 2.127 -2.743 1.00 0.00 C ATOM 761 O TRP A 54 1.882 3.170 -3.314 1.00 0.00 O ATOM 762 CB TRP A 54 0.783 0.919 -0.994 1.00 0.00 C ATOM 763 CG TRP A 54 0.807 2.273 -0.362 1.00 0.00 C ATOM 764 CD1 TRP A 54 1.931 2.962 -0.072 1.00 0.00 C ATOM 765 CD2 TRP A 54 -0.308 3.123 0.021 1.00 0.00 C ATOM 766 NE1 TRP A 54 1.579 4.185 0.459 1.00 0.00 N ATOM 767 CE2 TRP A 54 0.208 4.329 0.547 1.00 0.00 C ATOM 768 CE3 TRP A 54 -1.704 2.966 -0.033 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -0.632 5.344 1.002 1.00 0.00 C ATOM 770 CZ3 TRP A 54 -2.552 3.986 0.425 1.00 0.00 C ATOM 771 CH2 TRP A 54 -2.017 5.171 0.941 1.00 0.00 C ATOM 0 H TRP A 54 1.565 -0.963 -2.314 1.00 0.00 H new ATOM 0 HA TRP A 54 0.111 1.433 -2.997 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.174 0.431 -0.812 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.553 0.282 -0.559 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.941 2.613 -0.230 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.249 4.896 0.751 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.127 2.055 -0.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.215 6.258 1.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.623 3.855 0.379 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.675 5.952 1.292 1.00 0.00 H new ATOM 782 N GLU A 55 3.316 1.847 -2.307 1.00 0.00 N ATOM 783 CA GLU A 55 4.416 2.827 -2.512 1.00 0.00 C ATOM 784 C GLU A 55 4.519 3.166 -3.993 1.00 0.00 C ATOM 785 O GLU A 55 4.562 4.318 -4.380 1.00 0.00 O ATOM 786 CB GLU A 55 5.680 2.127 -2.025 1.00 0.00 C ATOM 787 CG GLU A 55 5.512 1.717 -0.564 1.00 0.00 C ATOM 788 CD GLU A 55 6.841 1.178 -0.033 1.00 0.00 C ATOM 789 OE1 GLU A 55 7.691 0.849 -0.844 1.00 0.00 O ATOM 790 OE2 GLU A 55 6.986 1.101 1.177 1.00 0.00 O ATOM 0 H GLU A 55 3.578 0.989 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 55 4.252 3.761 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.880 1.248 -2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.538 2.791 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.190 2.572 0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.736 0.956 -0.475 1.00 0.00 H new ATOM 797 N LEU A 56 4.535 2.169 -4.828 1.00 0.00 N ATOM 798 CA LEU A 56 4.606 2.431 -6.288 1.00 0.00 C ATOM 799 C LEU A 56 3.354 3.205 -6.700 1.00 0.00 C ATOM 800 O LEU A 56 3.334 3.909 -7.691 1.00 0.00 O ATOM 801 CB LEU A 56 4.643 1.048 -6.941 1.00 0.00 C ATOM 802 CG LEU A 56 5.801 0.232 -6.354 1.00 0.00 C ATOM 803 CD1 LEU A 56 5.466 -1.258 -6.431 1.00 0.00 C ATOM 804 CD2 LEU A 56 7.071 0.500 -7.159 1.00 0.00 C ATOM 0 H LEU A 56 4.502 1.185 -4.563 1.00 0.00 H new ATOM 0 HA LEU A 56 5.473 3.022 -6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.699 0.530 -6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.765 1.147 -8.020 1.00 0.00 H new ATOM 0 HG LEU A 56 5.956 0.521 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.289 -1.838 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.557 -1.457 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.312 -1.543 -7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.895 -0.080 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.912 0.210 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.314 1.562 -7.112 1.00 0.00 H new ATOM 816 N SER A 57 2.311 3.090 -5.918 1.00 0.00 N ATOM 817 CA SER A 57 1.050 3.825 -6.221 1.00 0.00 C ATOM 818 C SER A 57 1.091 5.199 -5.547 1.00 0.00 C ATOM 819 O SER A 57 0.519 6.159 -6.026 1.00 0.00 O ATOM 820 CB SER A 57 -0.061 2.966 -5.619 1.00 0.00 C ATOM 821 OG SER A 57 -1.309 3.617 -5.807 1.00 0.00 O ATOM 0 H SER A 57 2.281 2.514 -5.077 1.00 0.00 H new ATOM 0 HA SER A 57 0.900 3.987 -7.288 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.075 1.984 -6.092 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.122 2.805 -4.557 1.00 0.00 H new ATOM 0 HG SER A 57 -1.433 3.817 -6.758 1.00 0.00 H new ATOM 827 N ASP A 58 1.771 5.293 -4.437 1.00 0.00 N ATOM 828 CA ASP A 58 1.868 6.593 -3.717 1.00 0.00 C ATOM 829 C ASP A 58 2.823 7.528 -4.464 1.00 0.00 C ATOM 830 O ASP A 58 3.970 7.681 -4.096 1.00 0.00 O ATOM 831 CB ASP A 58 2.434 6.239 -2.341 1.00 0.00 C ATOM 832 CG ASP A 58 1.543 6.836 -1.248 1.00 0.00 C ATOM 833 OD1 ASP A 58 0.569 7.485 -1.592 1.00 0.00 O ATOM 834 OD2 ASP A 58 1.851 6.633 -0.085 1.00 0.00 O ATOM 0 H ASP A 58 2.267 4.519 -3.995 1.00 0.00 H new ATOM 0 HA ASP A 58 0.908 7.103 -3.643 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.490 5.156 -2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.450 6.622 -2.245 1.00 0.00 H new ATOM 839 N ILE A 59 2.359 8.153 -5.511 1.00 0.00 N ATOM 840 CA ILE A 59 3.245 9.072 -6.279 1.00 0.00 C ATOM 841 C ILE A 59 3.732 10.207 -5.375 1.00 0.00 C ATOM 842 O ILE A 59 4.854 10.663 -5.481 1.00 0.00 O ATOM 843 CB ILE A 59 2.372 9.629 -7.403 1.00 0.00 C ATOM 844 CG1 ILE A 59 1.828 8.478 -8.259 1.00 0.00 C ATOM 845 CG2 ILE A 59 3.212 10.563 -8.274 1.00 0.00 C ATOM 846 CD1 ILE A 59 2.970 7.812 -9.028 1.00 0.00 C ATOM 0 H ILE A 59 1.407 8.067 -5.867 1.00 0.00 H new ATOM 0 HA ILE A 59 4.128 8.563 -6.665 1.00 0.00 H new ATOM 0 HB ILE A 59 1.535 10.180 -6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.331 7.745 -7.624 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.080 8.855 -8.957 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.595 10.964 -9.078 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.593 11.383 -7.666 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.048 10.009 -8.700 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.574 6.996 -9.633 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.448 8.546 -9.677 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.703 7.419 -8.323 1.00 0.00 H new ATOM 858 N ASP A 60 2.894 10.669 -4.488 1.00 0.00 N ATOM 859 CA ASP A 60 3.302 11.777 -3.578 1.00 0.00 C ATOM 860 C ASP A 60 3.613 11.232 -2.180 1.00 0.00 C ATOM 861 O ASP A 60 4.291 11.867 -1.398 1.00 0.00 O ATOM 862 CB ASP A 60 2.098 12.716 -3.534 1.00 0.00 C ATOM 863 CG ASP A 60 0.865 11.944 -3.065 1.00 0.00 C ATOM 864 OD1 ASP A 60 0.928 11.361 -1.995 1.00 0.00 O ATOM 865 OD2 ASP A 60 -0.123 11.949 -3.783 1.00 0.00 O ATOM 0 H ASP A 60 1.943 10.326 -4.354 1.00 0.00 H new ATOM 0 HA ASP A 60 4.202 12.284 -3.925 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.297 13.548 -2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.919 13.142 -4.521 1.00 0.00 H new ATOM 870 N HIS A 61 3.120 10.064 -1.863 1.00 0.00 N ATOM 871 CA HIS A 61 3.384 9.472 -0.515 1.00 0.00 C ATOM 872 C HIS A 61 2.648 10.260 0.571 1.00 0.00 C ATOM 873 O HIS A 61 3.180 10.516 1.633 1.00 0.00 O ATOM 874 CB HIS A 61 4.899 9.567 -0.309 1.00 0.00 C ATOM 875 CG HIS A 61 5.612 9.175 -1.575 1.00 0.00 C ATOM 876 ND1 HIS A 61 6.196 9.919 -2.569 1.00 0.00 N flip ATOM 877 CD2 HIS A 61 5.792 7.849 -1.939 1.00 0.00 C flip ATOM 878 CE1 HIS A 61 6.732 9.074 -3.534 1.00 0.00 C flip ATOM 879 NE2 HIS A 61 6.461 7.838 -3.106 1.00 0.00 N flip ATOM 0 H HIS A 61 2.544 9.492 -2.480 1.00 0.00 H new ATOM 0 HA HIS A 61 3.033 8.442 -0.455 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.174 10.583 -0.026 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.206 8.915 0.509 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.457 6.984 -1.387 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.255 9.356 -4.436 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.729 6.989 -3.604 1.00 0.00 H new ATOM 887 N ASP A 62 1.427 10.641 0.316 1.00 0.00 N ATOM 888 CA ASP A 62 0.656 11.407 1.336 1.00 0.00 C ATOM 889 C ASP A 62 -0.152 10.445 2.211 1.00 0.00 C ATOM 890 O ASP A 62 -0.990 10.852 2.989 1.00 0.00 O ATOM 891 CB ASP A 62 -0.276 12.316 0.533 1.00 0.00 C ATOM 892 CG ASP A 62 -1.424 11.487 -0.051 1.00 0.00 C ATOM 893 OD1 ASP A 62 -1.260 10.973 -1.147 1.00 0.00 O ATOM 894 OD2 ASP A 62 -2.446 11.381 0.605 1.00 0.00 O ATOM 0 H ASP A 62 0.929 10.455 -0.555 1.00 0.00 H new ATOM 0 HA ASP A 62 1.303 11.979 2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.672 13.104 1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.278 12.805 -0.269 1.00 0.00 H new ATOM 899 N GLY A 63 0.095 9.170 2.084 1.00 0.00 N ATOM 900 CA GLY A 63 -0.661 8.182 2.903 1.00 0.00 C ATOM 901 C GLY A 63 -2.029 7.933 2.268 1.00 0.00 C ATOM 902 O GLY A 63 -2.968 7.538 2.930 1.00 0.00 O ATOM 0 H GLY A 63 0.787 8.771 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.104 7.247 2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.783 8.554 3.920 1.00 0.00 H new ATOM 906 N MET A 64 -2.150 8.154 0.986 1.00 0.00 N ATOM 907 CA MET A 64 -3.457 7.919 0.306 1.00 0.00 C ATOM 908 C MET A 64 -3.237 7.585 -1.172 1.00 0.00 C ATOM 909 O MET A 64 -2.207 7.890 -1.740 1.00 0.00 O ATOM 910 CB MET A 64 -4.247 9.225 0.432 1.00 0.00 C ATOM 911 CG MET A 64 -4.257 9.704 1.882 1.00 0.00 C ATOM 912 SD MET A 64 -5.264 11.203 2.015 1.00 0.00 S ATOM 913 CE MET A 64 -6.865 10.388 2.244 1.00 0.00 C ATOM 0 H MET A 64 -1.400 8.487 0.380 1.00 0.00 H new ATOM 0 HA MET A 64 -3.990 7.082 0.757 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.803 9.989 -0.207 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.269 9.074 0.085 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.658 8.925 2.531 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.239 9.906 2.217 1.00 0.00 H new ATOM 0 HE1 MET A 64 -7.645 11.142 2.349 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.081 9.761 1.379 1.00 0.00 H new ATOM 0 HE3 MET A 64 -6.834 9.770 3.142 1.00 0.00 H new ATOM 923 N LEU A 65 -4.207 6.983 -1.803 1.00 0.00 N ATOM 924 CA LEU A 65 -4.067 6.657 -3.251 1.00 0.00 C ATOM 925 C LEU A 65 -5.164 7.377 -4.040 1.00 0.00 C ATOM 926 O LEU A 65 -6.300 6.946 -4.071 1.00 0.00 O ATOM 927 CB LEU A 65 -4.250 5.141 -3.348 1.00 0.00 C ATOM 928 CG LEU A 65 -2.952 4.429 -2.959 1.00 0.00 C ATOM 929 CD1 LEU A 65 -3.067 2.944 -3.302 1.00 0.00 C ATOM 930 CD2 LEU A 65 -1.777 5.033 -3.731 1.00 0.00 C ATOM 0 H LEU A 65 -5.091 6.702 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.105 6.969 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.060 4.822 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.535 4.865 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.783 4.551 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.144 2.434 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.901 2.507 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.238 2.830 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.856 4.522 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.946 4.915 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.691 6.093 -3.492 1.00 0.00 H new ATOM 942 N ASP A 66 -4.843 8.475 -4.668 1.00 0.00 N ATOM 943 CA ASP A 66 -5.881 9.214 -5.440 1.00 0.00 C ATOM 944 C ASP A 66 -6.287 8.418 -6.680 1.00 0.00 C ATOM 945 O ASP A 66 -5.568 7.548 -7.133 1.00 0.00 O ATOM 946 CB ASP A 66 -5.231 10.546 -5.827 1.00 0.00 C ATOM 947 CG ASP A 66 -4.156 10.320 -6.891 1.00 0.00 C ATOM 948 OD1 ASP A 66 -4.471 9.732 -7.911 1.00 0.00 O ATOM 949 OD2 ASP A 66 -3.035 10.749 -6.669 1.00 0.00 O ATOM 0 H ASP A 66 -3.912 8.891 -4.680 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.790 9.371 -4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.989 11.232 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.789 11.013 -4.947 1.00 0.00 H new ATOM 954 N ARG A 67 -7.441 8.704 -7.219 1.00 0.00 N ATOM 955 CA ARG A 67 -7.925 7.967 -8.425 1.00 0.00 C ATOM 956 C ARG A 67 -6.768 7.621 -9.365 1.00 0.00 C ATOM 957 O ARG A 67 -6.680 6.524 -9.880 1.00 0.00 O ATOM 958 CB ARG A 67 -8.891 8.930 -9.110 1.00 0.00 C ATOM 959 CG ARG A 67 -8.143 10.194 -9.537 1.00 0.00 C ATOM 960 CD ARG A 67 -9.147 11.230 -10.047 1.00 0.00 C ATOM 961 NE ARG A 67 -10.198 11.293 -8.994 1.00 0.00 N ATOM 962 CZ ARG A 67 -11.458 11.360 -9.329 1.00 0.00 C ATOM 963 NH1 ARG A 67 -11.851 12.210 -10.238 1.00 0.00 N ATOM 964 NH2 ARG A 67 -12.327 10.576 -8.754 1.00 0.00 N ATOM 0 H ARG A 67 -8.076 9.423 -6.873 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.396 7.021 -8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.341 8.451 -9.979 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.704 9.189 -8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.581 10.599 -8.695 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.421 9.956 -10.318 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.674 12.201 -10.192 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.567 10.934 -11.008 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.933 11.284 -8.009 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.173 12.824 -10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.836 12.260 -10.498 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.022 9.911 -8.043 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.312 10.628 -9.015 1.00 0.00 H new ATOM 978 N ASP A 68 -5.884 8.546 -9.596 1.00 0.00 N ATOM 979 CA ASP A 68 -4.738 8.267 -10.508 1.00 0.00 C ATOM 980 C ASP A 68 -3.699 7.396 -9.804 1.00 0.00 C ATOM 981 O ASP A 68 -3.093 6.533 -10.404 1.00 0.00 O ATOM 982 CB ASP A 68 -4.155 9.640 -10.846 1.00 0.00 C ATOM 983 CG ASP A 68 -3.115 9.495 -11.958 1.00 0.00 C ATOM 984 OD1 ASP A 68 -3.458 8.960 -12.999 1.00 0.00 O ATOM 985 OD2 ASP A 68 -1.993 9.926 -11.750 1.00 0.00 O ATOM 0 H ASP A 68 -5.903 9.484 -9.195 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.046 7.726 -11.403 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.949 10.316 -11.163 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.697 10.080 -9.960 1.00 0.00 H new ATOM 990 N GLU A 69 -3.497 7.604 -8.535 1.00 0.00 N ATOM 991 CA GLU A 69 -2.504 6.769 -7.805 1.00 0.00 C ATOM 992 C GLU A 69 -3.113 5.400 -7.531 1.00 0.00 C ATOM 993 O GLU A 69 -2.483 4.376 -7.707 1.00 0.00 O ATOM 994 CB GLU A 69 -2.228 7.515 -6.504 1.00 0.00 C ATOM 995 CG GLU A 69 -1.320 8.703 -6.804 1.00 0.00 C ATOM 996 CD GLU A 69 -1.096 9.516 -5.528 1.00 0.00 C ATOM 997 OE1 GLU A 69 -1.976 9.509 -4.684 1.00 0.00 O ATOM 998 OE2 GLU A 69 -0.048 10.129 -5.417 1.00 0.00 O ATOM 0 H GLU A 69 -3.972 8.311 -7.974 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.584 6.612 -8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.162 7.857 -6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.755 6.851 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.365 8.353 -7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.769 9.331 -7.573 1.00 0.00 H new ATOM 1005 N PHE A 70 -4.348 5.378 -7.121 1.00 0.00 N ATOM 1006 CA PHE A 70 -5.021 4.083 -6.861 1.00 0.00 C ATOM 1007 C PHE A 70 -5.025 3.264 -8.150 1.00 0.00 C ATOM 1008 O PHE A 70 -5.159 2.056 -8.135 1.00 0.00 O ATOM 1009 CB PHE A 70 -6.441 4.465 -6.454 1.00 0.00 C ATOM 1010 CG PHE A 70 -7.111 3.305 -5.761 1.00 0.00 C ATOM 1011 CD1 PHE A 70 -7.723 2.297 -6.515 1.00 0.00 C ATOM 1012 CD2 PHE A 70 -7.129 3.242 -4.362 1.00 0.00 C ATOM 1013 CE1 PHE A 70 -8.353 1.227 -5.870 1.00 0.00 C ATOM 1014 CE2 PHE A 70 -7.761 2.173 -3.719 1.00 0.00 C ATOM 1015 CZ PHE A 70 -8.372 1.166 -4.472 1.00 0.00 C ATOM 0 H PHE A 70 -4.921 6.206 -6.955 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.532 3.483 -6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.417 5.330 -5.791 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.015 4.753 -7.335 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.709 2.345 -7.594 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.655 4.019 -3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.825 0.448 -6.451 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.777 2.125 -2.640 1.00 0.00 H new ATOM 0 HZ PHE A 70 -8.859 0.340 -3.974 1.00 0.00 H new ATOM 1025 N ALA A 71 -4.863 3.918 -9.271 1.00 0.00 N ATOM 1026 CA ALA A 71 -4.846 3.178 -10.563 1.00 0.00 C ATOM 1027 C ALA A 71 -3.524 2.431 -10.705 1.00 0.00 C ATOM 1028 O ALA A 71 -3.483 1.250 -10.997 1.00 0.00 O ATOM 1029 CB ALA A 71 -4.959 4.259 -11.638 1.00 0.00 C ATOM 0 H ALA A 71 -4.742 4.928 -9.345 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.649 2.444 -10.636 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.953 3.794 -12.624 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.889 4.811 -11.502 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.115 4.944 -11.555 1.00 0.00 H new ATOM 1035 N VAL A 72 -2.444 3.121 -10.494 1.00 0.00 N ATOM 1036 CA VAL A 72 -1.106 2.483 -10.605 1.00 0.00 C ATOM 1037 C VAL A 72 -0.999 1.302 -9.634 1.00 0.00 C ATOM 1038 O VAL A 72 -0.219 0.391 -9.830 1.00 0.00 O ATOM 1039 CB VAL A 72 -0.124 3.588 -10.211 1.00 0.00 C ATOM 1040 CG1 VAL A 72 1.274 2.994 -10.033 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -0.096 4.663 -11.303 1.00 0.00 C ATOM 0 H VAL A 72 -2.429 4.110 -10.247 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.911 2.089 -11.603 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.444 4.038 -9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.972 3.783 -9.752 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.250 2.236 -9.250 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.598 2.539 -10.969 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.604 5.450 -11.021 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.221 4.216 -12.245 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.093 5.089 -11.420 1.00 0.00 H new ATOM 1051 N ALA A 73 -1.771 1.321 -8.580 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.706 0.211 -7.583 1.00 0.00 C ATOM 1053 C ALA A 73 -2.657 -0.931 -7.959 1.00 0.00 C ATOM 1054 O ALA A 73 -2.624 -1.990 -7.367 1.00 0.00 O ATOM 1055 CB ALA A 73 -2.133 0.851 -6.262 1.00 0.00 C ATOM 0 H ALA A 73 -2.444 2.057 -8.366 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.710 -0.229 -7.532 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.113 0.101 -5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.447 1.661 -6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.143 1.248 -6.360 1.00 0.00 H new ATOM 1061 N MET A 74 -3.503 -0.733 -8.932 1.00 0.00 N ATOM 1062 CA MET A 74 -4.443 -1.827 -9.320 1.00 0.00 C ATOM 1063 C MET A 74 -3.773 -2.777 -10.308 1.00 0.00 C ATOM 1064 O MET A 74 -3.897 -3.982 -10.202 1.00 0.00 O ATOM 1065 CB MET A 74 -5.635 -1.126 -9.969 1.00 0.00 C ATOM 1066 CG MET A 74 -6.278 -0.171 -8.964 1.00 0.00 C ATOM 1067 SD MET A 74 -7.806 -0.904 -8.332 1.00 0.00 S ATOM 1068 CE MET A 74 -7.062 -1.808 -6.954 1.00 0.00 C ATOM 0 H MET A 74 -3.586 0.129 -9.471 1.00 0.00 H new ATOM 0 HA MET A 74 -4.747 -2.427 -8.462 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.310 -0.576 -10.852 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.365 -1.863 -10.304 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.590 0.027 -8.142 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.491 0.786 -9.440 1.00 0.00 H new ATOM 0 HE1 MET A 74 -7.178 -2.880 -7.117 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.002 -1.563 -6.888 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.557 -1.527 -6.025 1.00 0.00 H new ATOM 1078 N PHE A 75 -3.052 -2.259 -11.257 1.00 0.00 N ATOM 1079 CA PHE A 75 -2.370 -3.160 -12.221 1.00 0.00 C ATOM 1080 C PHE A 75 -1.132 -3.742 -11.539 1.00 0.00 C ATOM 1081 O PHE A 75 -0.691 -4.831 -11.845 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.015 -2.287 -13.431 1.00 0.00 C ATOM 1083 CG PHE A 75 -0.686 -1.604 -13.222 1.00 0.00 C ATOM 1084 CD1 PHE A 75 0.502 -2.270 -13.544 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -0.645 -0.304 -12.713 1.00 0.00 C ATOM 1086 CE1 PHE A 75 1.734 -1.633 -13.353 1.00 0.00 C ATOM 1087 CE2 PHE A 75 0.584 0.333 -12.525 1.00 0.00 C ATOM 1088 CZ PHE A 75 1.774 -0.330 -12.845 1.00 0.00 C ATOM 0 H PHE A 75 -2.906 -1.261 -11.407 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.985 -4.000 -12.544 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.977 -2.901 -14.331 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.793 -1.540 -13.588 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.468 -3.274 -13.939 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.563 0.208 -12.465 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.652 -2.147 -13.597 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.616 1.339 -12.132 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.723 0.164 -12.700 1.00 0.00 H new ATOM 1098 N LEU A 76 -0.594 -3.028 -10.585 1.00 0.00 N ATOM 1099 CA LEU A 76 0.587 -3.545 -9.846 1.00 0.00 C ATOM 1100 C LEU A 76 0.147 -4.730 -8.991 1.00 0.00 C ATOM 1101 O LEU A 76 0.932 -5.586 -8.634 1.00 0.00 O ATOM 1102 CB LEU A 76 1.054 -2.381 -8.972 1.00 0.00 C ATOM 1103 CG LEU A 76 1.972 -1.470 -9.788 1.00 0.00 C ATOM 1104 CD1 LEU A 76 2.481 -0.331 -8.904 1.00 0.00 C ATOM 1105 CD2 LEU A 76 3.161 -2.283 -10.307 1.00 0.00 C ATOM 0 H LEU A 76 -0.924 -2.110 -10.288 1.00 0.00 H new ATOM 0 HA LEU A 76 1.389 -3.888 -10.500 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.195 -1.818 -8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.582 -2.758 -8.096 1.00 0.00 H new ATOM 0 HG LEU A 76 1.418 -1.054 -10.629 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.135 0.317 -9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.635 0.247 -8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.036 -0.744 -8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.817 -1.636 -10.889 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.714 -2.697 -9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.799 -3.095 -10.938 1.00 0.00 H new ATOM 1117 N VAL A 77 -1.119 -4.787 -8.679 1.00 0.00 N ATOM 1118 CA VAL A 77 -1.644 -5.910 -7.868 1.00 0.00 C ATOM 1119 C VAL A 77 -2.140 -7.018 -8.791 1.00 0.00 C ATOM 1120 O VAL A 77 -1.634 -8.119 -8.787 1.00 0.00 O ATOM 1121 CB VAL A 77 -2.803 -5.305 -7.069 1.00 0.00 C ATOM 1122 CG1 VAL A 77 -3.581 -6.415 -6.356 1.00 0.00 C ATOM 1123 CG2 VAL A 77 -2.240 -4.337 -6.029 1.00 0.00 C ATOM 0 H VAL A 77 -1.815 -4.094 -8.956 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.891 -6.351 -7.215 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.473 -4.777 -7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.403 -5.977 -5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.979 -7.112 -7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.915 -6.947 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.059 -3.902 -5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.572 -4.874 -5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.688 -3.543 -6.532 1.00 0.00 H new ATOM 1133 N TYR A 78 -3.136 -6.728 -9.580 1.00 0.00 N ATOM 1134 CA TYR A 78 -3.692 -7.756 -10.499 1.00 0.00 C ATOM 1135 C TYR A 78 -2.585 -8.491 -11.260 1.00 0.00 C ATOM 1136 O TYR A 78 -2.742 -9.634 -11.644 1.00 0.00 O ATOM 1137 CB TYR A 78 -4.591 -6.982 -11.460 1.00 0.00 C ATOM 1138 CG TYR A 78 -6.015 -7.058 -10.967 1.00 0.00 C ATOM 1139 CD1 TYR A 78 -6.577 -8.301 -10.652 1.00 0.00 C ATOM 1140 CD2 TYR A 78 -6.769 -5.888 -10.817 1.00 0.00 C ATOM 1141 CE1 TYR A 78 -7.897 -8.374 -10.188 1.00 0.00 C ATOM 1142 CE2 TYR A 78 -8.088 -5.961 -10.353 1.00 0.00 C ATOM 1143 CZ TYR A 78 -8.652 -7.204 -10.037 1.00 0.00 C ATOM 1144 OH TYR A 78 -9.952 -7.275 -9.577 1.00 0.00 O ATOM 0 H TYR A 78 -3.591 -5.816 -9.627 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.237 -8.527 -9.954 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.269 -5.943 -11.523 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.517 -7.400 -12.464 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.994 -9.203 -10.767 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.334 -4.930 -11.059 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.332 -9.332 -9.947 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.671 -5.059 -10.239 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.332 -6.373 -9.530 1.00 0.00 H new ATOM 1154 N CYS A 79 -1.469 -7.859 -11.484 1.00 0.00 N ATOM 1155 CA CYS A 79 -0.371 -8.543 -12.222 1.00 0.00 C ATOM 1156 C CYS A 79 0.401 -9.458 -11.276 1.00 0.00 C ATOM 1157 O CYS A 79 1.136 -10.327 -11.702 1.00 0.00 O ATOM 1158 CB CYS A 79 0.529 -7.418 -12.731 1.00 0.00 C ATOM 1159 SG CYS A 79 0.016 -6.937 -14.399 1.00 0.00 S ATOM 0 H CYS A 79 -1.269 -6.903 -11.190 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.744 -9.164 -13.037 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.471 -6.561 -12.060 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.568 -7.746 -12.740 1.00 0.00 H new ATOM 0 HG CYS A 79 1.043 -6.968 -15.195 1.00 0.00 H new ATOM 1165 N ALA A 80 0.237 -9.275 -9.994 1.00 0.00 N ATOM 1166 CA ALA A 80 0.962 -10.133 -9.023 1.00 0.00 C ATOM 1167 C ALA A 80 0.188 -11.428 -8.800 1.00 0.00 C ATOM 1168 O ALA A 80 0.700 -12.388 -8.259 1.00 0.00 O ATOM 1169 CB ALA A 80 1.026 -9.309 -7.738 1.00 0.00 C ATOM 0 H ALA A 80 -0.369 -8.567 -9.580 1.00 0.00 H new ATOM 0 HA ALA A 80 1.957 -10.412 -9.371 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.549 -9.876 -6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.560 -8.378 -7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.015 -9.084 -7.399 1.00 0.00 H new ATOM 1175 N LEU A 81 -1.044 -11.461 -9.221 1.00 0.00 N ATOM 1176 CA LEU A 81 -1.854 -12.694 -9.043 1.00 0.00 C ATOM 1177 C LEU A 81 -1.686 -13.588 -10.263 1.00 0.00 C ATOM 1178 O LEU A 81 -1.540 -14.789 -10.160 1.00 0.00 O ATOM 1179 CB LEU A 81 -3.301 -12.222 -8.929 1.00 0.00 C ATOM 1180 CG LEU A 81 -3.476 -11.452 -7.626 1.00 0.00 C ATOM 1181 CD1 LEU A 81 -2.894 -10.056 -7.786 1.00 0.00 C ATOM 1182 CD2 LEU A 81 -4.962 -11.354 -7.287 1.00 0.00 C ATOM 0 H LEU A 81 -1.524 -10.687 -9.680 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.551 -13.265 -8.166 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.557 -11.587 -9.777 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.978 -13.076 -8.954 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.957 -11.972 -6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.017 -9.502 -6.856 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.834 -10.129 -8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.414 -9.535 -8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.087 -10.803 -6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.485 -10.833 -8.089 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.376 -12.356 -7.175 1.00 0.00 H new ATOM 1194 N GLU A 82 -1.701 -12.998 -11.423 1.00 0.00 N ATOM 1195 CA GLU A 82 -1.537 -13.796 -12.663 1.00 0.00 C ATOM 1196 C GLU A 82 -0.110 -14.330 -12.747 1.00 0.00 C ATOM 1197 O GLU A 82 0.113 -15.520 -12.866 1.00 0.00 O ATOM 1198 CB GLU A 82 -1.816 -12.816 -13.802 1.00 0.00 C ATOM 1199 CG GLU A 82 -1.467 -13.473 -15.141 1.00 0.00 C ATOM 1200 CD GLU A 82 -2.703 -13.498 -16.045 1.00 0.00 C ATOM 1201 OE1 GLU A 82 -3.736 -13.009 -15.620 1.00 0.00 O ATOM 1202 OE2 GLU A 82 -2.592 -14.005 -17.149 1.00 0.00 O ATOM 0 H GLU A 82 -1.820 -11.995 -11.565 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.204 -14.657 -12.700 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.865 -12.521 -13.793 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.228 -11.908 -13.667 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.661 -12.923 -15.627 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.106 -14.488 -14.975 1.00 0.00 H new ATOM 1209 N LYS A 83 0.860 -13.464 -12.680 1.00 0.00 N ATOM 1210 CA LYS A 83 2.274 -13.938 -12.749 1.00 0.00 C ATOM 1211 C LYS A 83 3.270 -12.769 -12.712 1.00 0.00 C ATOM 1212 O LYS A 83 4.427 -12.947 -12.381 1.00 0.00 O ATOM 1213 CB LYS A 83 2.376 -14.678 -14.078 1.00 0.00 C ATOM 1214 CG LYS A 83 3.055 -16.032 -13.861 1.00 0.00 C ATOM 1215 CD LYS A 83 2.072 -17.156 -14.193 1.00 0.00 C ATOM 1216 CE LYS A 83 2.835 -18.351 -14.767 1.00 0.00 C ATOM 1217 NZ LYS A 83 2.429 -18.414 -16.199 1.00 0.00 N ATOM 0 H LYS A 83 0.740 -12.456 -12.581 1.00 0.00 H new ATOM 0 HA LYS A 83 2.521 -14.570 -11.896 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.383 -14.822 -14.503 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.946 -14.085 -14.793 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.941 -16.111 -14.491 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.390 -16.121 -12.828 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.529 -17.455 -13.296 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.332 -16.805 -14.912 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.912 -18.217 -14.667 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.579 -19.272 -14.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.912 -19.210 -16.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.400 -18.549 -16.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.692 -17.527 -16.674 1.00 0.00 H new ATOM 1231 N GLU A 84 2.850 -11.587 -13.072 1.00 0.00 N ATOM 1232 CA GLU A 84 3.795 -10.429 -13.082 1.00 0.00 C ATOM 1233 C GLU A 84 3.997 -9.860 -11.672 1.00 0.00 C ATOM 1234 O GLU A 84 3.089 -9.306 -11.087 1.00 0.00 O ATOM 1235 CB GLU A 84 3.128 -9.397 -13.992 1.00 0.00 C ATOM 1236 CG GLU A 84 3.862 -8.060 -13.876 1.00 0.00 C ATOM 1237 CD GLU A 84 3.664 -7.256 -15.163 1.00 0.00 C ATOM 1238 OE1 GLU A 84 2.526 -6.961 -15.486 1.00 0.00 O ATOM 1239 OE2 GLU A 84 4.655 -6.952 -15.804 1.00 0.00 O ATOM 0 H GLU A 84 1.895 -11.371 -13.360 1.00 0.00 H new ATOM 0 HA GLU A 84 4.787 -10.716 -13.432 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.144 -9.744 -15.025 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.081 -9.274 -13.713 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.484 -7.498 -13.022 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.924 -8.230 -13.701 1.00 0.00 H new ATOM 1246 N PRO A 85 5.197 -10.005 -11.178 1.00 0.00 N ATOM 1247 CA PRO A 85 5.531 -9.489 -9.828 1.00 0.00 C ATOM 1248 C PRO A 85 5.620 -7.959 -9.853 1.00 0.00 C ATOM 1249 O PRO A 85 5.280 -7.326 -10.833 1.00 0.00 O ATOM 1250 CB PRO A 85 6.896 -10.108 -9.536 1.00 0.00 C ATOM 1251 CG PRO A 85 7.490 -10.387 -10.879 1.00 0.00 C ATOM 1252 CD PRO A 85 6.345 -10.654 -11.822 1.00 0.00 C ATOM 0 HA PRO A 85 4.785 -9.740 -9.074 1.00 0.00 H new ATOM 0 HB2 PRO A 85 7.523 -9.427 -8.961 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.798 -11.022 -8.950 1.00 0.00 H new ATOM 0 HG2 PRO A 85 8.082 -9.539 -11.222 1.00 0.00 H new ATOM 0 HG3 PRO A 85 8.160 -11.246 -10.833 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.536 -10.237 -12.811 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.177 -11.723 -11.954 1.00 0.00 H new ATOM 1260 N VAL A 86 6.076 -7.359 -8.787 1.00 0.00 N ATOM 1261 CA VAL A 86 6.186 -5.874 -8.759 1.00 0.00 C ATOM 1262 C VAL A 86 7.659 -5.474 -8.669 1.00 0.00 C ATOM 1263 O VAL A 86 8.457 -6.187 -8.093 1.00 0.00 O ATOM 1264 CB VAL A 86 5.432 -5.448 -7.500 1.00 0.00 C ATOM 1265 CG1 VAL A 86 5.620 -3.948 -7.270 1.00 0.00 C ATOM 1266 CG2 VAL A 86 3.943 -5.757 -7.672 1.00 0.00 C ATOM 0 H VAL A 86 6.377 -7.833 -7.935 1.00 0.00 H new ATOM 0 HA VAL A 86 5.777 -5.402 -9.652 1.00 0.00 H new ATOM 0 HB VAL A 86 5.822 -5.995 -6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.081 -3.647 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.681 -3.729 -7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.232 -3.397 -8.127 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.403 -5.454 -6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.555 -5.210 -8.532 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.810 -6.827 -7.832 1.00 0.00 H new ATOM 1276 N PRO A 87 7.978 -4.351 -9.249 1.00 0.00 N ATOM 1277 CA PRO A 87 9.373 -3.877 -9.229 1.00 0.00 C ATOM 1278 C PRO A 87 9.700 -3.269 -7.869 1.00 0.00 C ATOM 1279 O PRO A 87 9.017 -3.504 -6.891 1.00 0.00 O ATOM 1280 CB PRO A 87 9.414 -2.824 -10.330 1.00 0.00 C ATOM 1281 CG PRO A 87 8.005 -2.335 -10.461 1.00 0.00 C ATOM 1282 CD PRO A 87 7.089 -3.428 -9.961 1.00 0.00 C ATOM 0 HA PRO A 87 10.102 -4.671 -9.390 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.091 -2.010 -10.071 1.00 0.00 H new ATOM 0 HB3 PRO A 87 9.772 -3.249 -11.268 1.00 0.00 H new ATOM 0 HG2 PRO A 87 7.862 -1.422 -9.883 1.00 0.00 H new ATOM 0 HG3 PRO A 87 7.780 -2.093 -11.500 1.00 0.00 H new ATOM 0 HD2 PRO A 87 6.318 -3.030 -9.301 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.577 -3.925 -10.785 1.00 0.00 H new ATOM 1290 N MET A 88 10.743 -2.501 -7.792 1.00 0.00 N ATOM 1291 CA MET A 88 11.114 -1.891 -6.486 1.00 0.00 C ATOM 1292 C MET A 88 10.832 -0.387 -6.481 1.00 0.00 C ATOM 1293 O MET A 88 11.060 0.285 -5.494 1.00 0.00 O ATOM 1294 CB MET A 88 12.612 -2.156 -6.337 1.00 0.00 C ATOM 1295 CG MET A 88 13.151 -1.372 -5.138 1.00 0.00 C ATOM 1296 SD MET A 88 14.863 -1.865 -4.817 1.00 0.00 S ATOM 1297 CE MET A 88 14.722 -2.024 -3.020 1.00 0.00 C ATOM 0 H MET A 88 11.356 -2.267 -8.573 1.00 0.00 H new ATOM 0 HA MET A 88 10.536 -2.314 -5.664 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.792 -3.222 -6.199 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.137 -1.859 -7.245 1.00 0.00 H new ATOM 0 HG2 MET A 88 13.101 -0.302 -5.337 1.00 0.00 H new ATOM 0 HG3 MET A 88 12.535 -1.562 -4.259 1.00 0.00 H new ATOM 0 HE1 MET A 88 15.683 -2.327 -2.605 1.00 0.00 H new ATOM 0 HE2 MET A 88 14.427 -1.066 -2.592 1.00 0.00 H new ATOM 0 HE3 MET A 88 13.970 -2.776 -2.779 1.00 0.00 H new ATOM 1307 N SER A 89 10.342 0.158 -7.563 1.00 0.00 N ATOM 1308 CA SER A 89 10.062 1.623 -7.571 1.00 0.00 C ATOM 1309 C SER A 89 9.306 2.032 -8.823 1.00 0.00 C ATOM 1310 O SER A 89 9.393 3.152 -9.268 1.00 0.00 O ATOM 1311 CB SER A 89 11.430 2.270 -7.546 1.00 0.00 C ATOM 1312 OG SER A 89 11.300 3.666 -7.780 1.00 0.00 O ATOM 0 H SER A 89 10.127 -0.338 -8.428 1.00 0.00 H new ATOM 0 HA SER A 89 9.439 1.923 -6.729 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.909 2.095 -6.582 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.070 1.821 -8.306 1.00 0.00 H new ATOM 0 HG SER A 89 10.955 3.815 -8.685 1.00 0.00 H new ATOM 1318 N LEU A 90 8.559 1.120 -9.350 1.00 0.00 N ATOM 1319 CA LEU A 90 7.726 1.364 -10.565 1.00 0.00 C ATOM 1320 C LEU A 90 8.527 2.099 -11.662 1.00 0.00 C ATOM 1321 O LEU A 90 9.051 3.173 -11.454 1.00 0.00 O ATOM 1322 CB LEU A 90 6.522 2.157 -10.031 1.00 0.00 C ATOM 1323 CG LEU A 90 6.709 3.629 -10.295 1.00 0.00 C ATOM 1324 CD1 LEU A 90 6.458 3.869 -11.775 1.00 0.00 C ATOM 1325 CD2 LEU A 90 5.720 4.440 -9.457 1.00 0.00 C ATOM 0 H LEU A 90 8.482 0.173 -8.979 1.00 0.00 H new ATOM 0 HA LEU A 90 7.402 0.450 -11.062 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.607 1.808 -10.509 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.409 1.984 -8.961 1.00 0.00 H new ATOM 0 HG LEU A 90 7.718 3.940 -10.025 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.586 4.928 -11.999 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.166 3.286 -12.363 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.442 3.565 -12.026 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.862 5.503 -9.654 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.701 4.155 -9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.891 4.241 -8.399 1.00 0.00 H new ATOM 1337 N PRO A 91 8.584 1.484 -12.815 1.00 0.00 N ATOM 1338 CA PRO A 91 9.321 2.080 -13.959 1.00 0.00 C ATOM 1339 C PRO A 91 8.632 3.361 -14.446 1.00 0.00 C ATOM 1340 O PRO A 91 7.501 3.633 -14.101 1.00 0.00 O ATOM 1341 CB PRO A 91 9.277 0.982 -15.021 1.00 0.00 C ATOM 1342 CG PRO A 91 8.085 0.155 -14.666 1.00 0.00 C ATOM 1343 CD PRO A 91 7.971 0.199 -13.165 1.00 0.00 C ATOM 0 HA PRO A 91 10.339 2.377 -13.706 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.182 1.403 -16.022 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.189 0.386 -15.011 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.184 0.550 -15.136 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.205 -0.870 -15.017 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.932 0.148 -12.839 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.493 -0.636 -12.698 1.00 0.00 H new ATOM 1351 N PRO A 92 9.360 4.113 -15.226 1.00 0.00 N ATOM 1352 CA PRO A 92 8.845 5.401 -15.768 1.00 0.00 C ATOM 1353 C PRO A 92 7.748 5.172 -16.808 1.00 0.00 C ATOM 1354 O PRO A 92 7.162 6.105 -17.322 1.00 0.00 O ATOM 1355 CB PRO A 92 10.070 6.022 -16.426 1.00 0.00 C ATOM 1356 CG PRO A 92 10.959 4.867 -16.747 1.00 0.00 C ATOM 1357 CD PRO A 92 10.724 3.834 -15.681 1.00 0.00 C ATOM 0 HA PRO A 92 8.398 6.027 -14.996 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.798 6.574 -17.326 1.00 0.00 H new ATOM 0 HB3 PRO A 92 10.564 6.727 -15.757 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.730 4.464 -17.734 1.00 0.00 H new ATOM 0 HG3 PRO A 92 12.004 5.176 -16.764 1.00 0.00 H new ATOM 0 HD2 PRO A 92 10.816 2.822 -16.076 1.00 0.00 H new ATOM 0 HD3 PRO A 92 11.444 3.926 -14.868 1.00 0.00 H new ATOM 1365 N ALA A 93 7.464 3.946 -17.121 1.00 0.00 N ATOM 1366 CA ALA A 93 6.406 3.665 -18.124 1.00 0.00 C ATOM 1367 C ALA A 93 5.037 3.868 -17.488 1.00 0.00 C ATOM 1368 O ALA A 93 4.018 3.792 -18.146 1.00 0.00 O ATOM 1369 CB ALA A 93 6.605 2.203 -18.522 1.00 0.00 C ATOM 0 H ALA A 93 7.919 3.123 -16.726 1.00 0.00 H new ATOM 0 HA ALA A 93 6.464 4.324 -18.990 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.857 1.923 -19.263 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.601 2.073 -18.945 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.499 1.569 -17.642 1.00 0.00 H new ATOM 1375 N LEU A 94 5.001 4.131 -16.211 1.00 0.00 N ATOM 1376 CA LEU A 94 3.688 4.339 -15.554 1.00 0.00 C ATOM 1377 C LEU A 94 3.772 5.453 -14.501 1.00 0.00 C ATOM 1378 O LEU A 94 3.225 5.348 -13.422 1.00 0.00 O ATOM 1379 CB LEU A 94 3.329 2.971 -14.945 1.00 0.00 C ATOM 1380 CG LEU A 94 3.795 2.852 -13.492 1.00 0.00 C ATOM 1381 CD1 LEU A 94 2.570 2.851 -12.577 1.00 0.00 C ATOM 1382 CD2 LEU A 94 4.555 1.535 -13.317 1.00 0.00 C ATOM 0 H LEU A 94 5.816 4.210 -15.603 1.00 0.00 H new ATOM 0 HA LEU A 94 2.917 4.669 -16.250 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.250 2.824 -14.993 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.785 2.179 -15.538 1.00 0.00 H new ATOM 0 HG LEU A 94 4.446 3.689 -13.239 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.891 2.767 -11.539 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.015 3.780 -12.711 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.929 2.006 -12.828 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.890 1.443 -12.284 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.898 0.700 -13.561 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.419 1.522 -13.981 1.00 0.00 H new ATOM 1394 N VAL A 95 4.446 6.526 -14.812 1.00 0.00 N ATOM 1395 CA VAL A 95 4.558 7.641 -13.828 1.00 0.00 C ATOM 1396 C VAL A 95 3.961 8.928 -14.404 1.00 0.00 C ATOM 1397 O VAL A 95 4.280 9.318 -15.510 1.00 0.00 O ATOM 1398 CB VAL A 95 6.057 7.818 -13.598 1.00 0.00 C ATOM 1399 CG1 VAL A 95 6.288 8.902 -12.543 1.00 0.00 C ATOM 1400 CG2 VAL A 95 6.657 6.500 -13.111 1.00 0.00 C ATOM 0 H VAL A 95 4.922 6.679 -15.701 1.00 0.00 H new ATOM 0 HA VAL A 95 4.020 7.423 -12.906 1.00 0.00 H new ATOM 0 HB VAL A 95 6.534 8.112 -14.533 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.358 9.028 -12.379 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.861 9.843 -12.889 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.810 8.608 -11.609 1.00 0.00 H new ATOM 0 HG21 VAL A 95 7.727 6.626 -12.947 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.179 6.206 -12.177 1.00 0.00 H new ATOM 0 HG23 VAL A 95 6.494 5.727 -13.862 1.00 0.00 H new ATOM 1410 N PRO A 96 3.123 9.556 -13.625 1.00 0.00 N ATOM 1411 CA PRO A 96 2.487 10.825 -14.058 1.00 0.00 C ATOM 1412 C PRO A 96 3.533 11.942 -14.111 1.00 0.00 C ATOM 1413 O PRO A 96 4.669 11.746 -13.727 1.00 0.00 O ATOM 1414 CB PRO A 96 1.447 11.094 -12.973 1.00 0.00 C ATOM 1415 CG PRO A 96 1.954 10.364 -11.771 1.00 0.00 C ATOM 1416 CD PRO A 96 2.689 9.152 -12.280 1.00 0.00 C ATOM 0 HA PRO A 96 2.044 10.773 -15.053 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.348 12.161 -12.775 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.463 10.732 -13.270 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.616 11.000 -11.183 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.130 10.072 -11.119 1.00 0.00 H new ATOM 0 HD2 PRO A 96 3.537 8.900 -11.643 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.043 8.275 -12.313 1.00 0.00 H new ATOM 1424 N PRO A 97 3.116 13.081 -14.591 1.00 0.00 N ATOM 1425 CA PRO A 97 4.033 14.244 -14.701 1.00 0.00 C ATOM 1426 C PRO A 97 4.394 14.783 -13.316 1.00 0.00 C ATOM 1427 O PRO A 97 3.911 14.307 -12.308 1.00 0.00 O ATOM 1428 CB PRO A 97 3.222 15.266 -15.493 1.00 0.00 C ATOM 1429 CG PRO A 97 1.795 14.892 -15.248 1.00 0.00 C ATOM 1430 CD PRO A 97 1.766 13.398 -15.069 1.00 0.00 C ATOM 0 HA PRO A 97 4.981 13.996 -15.179 1.00 0.00 H new ATOM 0 HB2 PRO A 97 3.428 16.282 -15.156 1.00 0.00 H new ATOM 0 HB3 PRO A 97 3.465 15.227 -16.555 1.00 0.00 H new ATOM 0 HG2 PRO A 97 1.409 15.396 -14.362 1.00 0.00 H new ATOM 0 HG3 PRO A 97 1.166 15.194 -16.085 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.005 13.095 -14.350 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.542 12.886 -16.005 1.00 0.00 H new ATOM 1438 N SER A 98 5.254 15.765 -13.263 1.00 0.00 N ATOM 1439 CA SER A 98 5.676 16.342 -11.949 1.00 0.00 C ATOM 1440 C SER A 98 6.631 15.389 -11.240 1.00 0.00 C ATOM 1441 O SER A 98 7.699 15.775 -10.804 1.00 0.00 O ATOM 1442 CB SER A 98 4.390 16.535 -11.141 1.00 0.00 C ATOM 1443 OG SER A 98 4.472 17.754 -10.412 1.00 0.00 O ATOM 0 H SER A 98 5.687 16.197 -14.079 1.00 0.00 H new ATOM 0 HA SER A 98 6.205 17.287 -12.071 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.527 16.554 -11.807 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.247 15.698 -10.458 1.00 0.00 H new ATOM 0 HG SER A 98 3.649 17.882 -9.895 1.00 0.00 H new ATOM 1449 N LYS A 99 6.274 14.145 -11.138 1.00 0.00 N ATOM 1450 CA LYS A 99 7.180 13.173 -10.479 1.00 0.00 C ATOM 1451 C LYS A 99 8.130 12.601 -11.530 1.00 0.00 C ATOM 1452 O LYS A 99 8.817 11.625 -11.299 1.00 0.00 O ATOM 1453 CB LYS A 99 6.261 12.082 -9.926 1.00 0.00 C ATOM 1454 CG LYS A 99 6.577 11.846 -8.448 1.00 0.00 C ATOM 1455 CD LYS A 99 7.906 11.100 -8.321 1.00 0.00 C ATOM 1456 CE LYS A 99 7.866 10.185 -7.095 1.00 0.00 C ATOM 1457 NZ LYS A 99 9.267 10.159 -6.591 1.00 0.00 N ATOM 0 H LYS A 99 5.395 13.759 -11.482 1.00 0.00 H new ATOM 0 HA LYS A 99 7.785 13.616 -9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.218 12.377 -10.043 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.396 11.159 -10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.631 12.798 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.778 11.269 -7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.092 10.512 -9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.727 11.811 -8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.181 10.568 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.523 9.185 -7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.322 9.551 -5.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.895 9.784 -7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.564 11.124 -6.341 1.00 0.00 H new ATOM 1471 N ARG A 100 8.173 13.208 -12.690 1.00 0.00 N ATOM 1472 CA ARG A 100 9.079 12.702 -13.762 1.00 0.00 C ATOM 1473 C ARG A 100 10.233 13.684 -13.993 1.00 0.00 C ATOM 1474 O ARG A 100 10.363 14.680 -13.307 1.00 0.00 O ATOM 1475 CB ARG A 100 8.198 12.605 -15.007 1.00 0.00 C ATOM 1476 CG ARG A 100 7.443 13.921 -15.198 1.00 0.00 C ATOM 1477 CD ARG A 100 6.909 14.002 -16.631 1.00 0.00 C ATOM 1478 NE ARG A 100 6.019 12.817 -16.779 1.00 0.00 N ATOM 1479 CZ ARG A 100 4.986 12.873 -17.574 1.00 0.00 C ATOM 1480 NH1 ARG A 100 4.860 13.865 -18.414 1.00 0.00 N ATOM 1481 NH2 ARG A 100 4.078 11.936 -17.532 1.00 0.00 N ATOM 0 H ARG A 100 7.621 14.029 -12.939 1.00 0.00 H new ATOM 0 HA ARG A 100 9.530 11.744 -13.504 1.00 0.00 H new ATOM 0 HB2 ARG A 100 8.810 12.394 -15.884 1.00 0.00 H new ATOM 0 HB3 ARG A 100 7.493 11.780 -14.904 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.619 13.986 -14.488 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.104 14.764 -14.997 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.361 14.930 -16.796 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.722 13.978 -17.357 1.00 0.00 H new ATOM 0 HE ARG A 100 6.217 11.962 -16.259 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.570 14.597 -18.449 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.052 13.908 -19.035 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.176 11.160 -16.878 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.271 11.980 -18.154 1.00 0.00 H new TER 1495 ARG A 100 ATOM 1496 N SER B 107 4.659 6.609 8.706 1.00 0.00 N ATOM 1497 CA SER B 107 3.566 5.625 8.454 1.00 0.00 C ATOM 1498 C SER B 107 2.894 5.918 7.110 1.00 0.00 C ATOM 1499 O SER B 107 1.697 6.112 7.032 1.00 0.00 O ATOM 1500 CB SER B 107 2.577 5.826 9.601 1.00 0.00 C ATOM 1501 OG SER B 107 2.527 7.206 9.941 1.00 0.00 O ATOM 0 HA SER B 107 3.935 4.600 8.410 1.00 0.00 H new ATOM 0 HB2 SER B 107 1.587 5.475 9.309 1.00 0.00 H new ATOM 0 HB3 SER B 107 2.881 5.237 10.466 1.00 0.00 H new ATOM 0 HG SER B 107 3.413 7.606 9.815 1.00 0.00 H new ATOM 1507 N THR B 108 3.656 5.952 6.051 1.00 0.00 N ATOM 1508 CA THR B 108 3.061 6.234 4.713 1.00 0.00 C ATOM 1509 C THR B 108 2.543 4.941 4.082 1.00 0.00 C ATOM 1510 O THR B 108 1.627 4.950 3.283 1.00 0.00 O ATOM 1511 CB THR B 108 4.208 6.813 3.881 1.00 0.00 C ATOM 1512 OG1 THR B 108 5.154 5.787 3.608 1.00 0.00 O ATOM 1513 CG2 THR B 108 4.890 7.943 4.655 1.00 0.00 C ATOM 0 H THR B 108 4.664 5.797 6.054 1.00 0.00 H new ATOM 0 HA THR B 108 2.216 6.919 4.775 1.00 0.00 H new ATOM 0 HB THR B 108 3.813 7.207 2.945 1.00 0.00 H new ATOM 0 HG1 THR B 108 5.889 6.154 3.074 1.00 0.00 H new ATOM 0 HG21 THR B 108 5.706 8.352 4.059 1.00 0.00 H new ATOM 0 HG22 THR B 108 4.165 8.729 4.865 1.00 0.00 H new ATOM 0 HG23 THR B 108 5.286 7.554 5.593 1.00 0.00 H new ATOM 1521 N ASN B 109 3.127 3.829 4.429 1.00 0.00 N ATOM 1522 CA ASN B 109 2.675 2.535 3.845 1.00 0.00 C ATOM 1523 C ASN B 109 1.883 1.726 4.876 1.00 0.00 C ATOM 1524 O ASN B 109 2.334 1.524 5.985 1.00 0.00 O ATOM 1525 CB ASN B 109 3.962 1.803 3.474 1.00 0.00 C ATOM 1526 CG ASN B 109 3.626 0.608 2.587 1.00 0.00 C ATOM 1527 OD1 ASN B 109 2.546 0.056 2.671 1.00 0.00 O ATOM 1528 ND2 ASN B 109 4.513 0.178 1.739 1.00 0.00 N ATOM 0 H ASN B 109 3.899 3.760 5.092 1.00 0.00 H new ATOM 0 HA ASN B 109 2.018 2.680 2.987 1.00 0.00 H new ATOM 0 HB2 ASN B 109 4.640 2.478 2.952 1.00 0.00 H new ATOM 0 HB3 ASN B 109 4.476 1.468 4.375 1.00 0.00 H new ATOM 0 HD21 ASN B 109 4.303 -0.623 1.144 1.00 0.00 H new ATOM 0 HD22 ASN B 109 5.419 0.642 1.669 1.00 0.00 H new ATOM 1535 N PRO B 110 0.722 1.285 4.469 1.00 0.00 N ATOM 1536 CA PRO B 110 -0.143 0.485 5.368 1.00 0.00 C ATOM 1537 C PRO B 110 0.384 -0.950 5.493 1.00 0.00 C ATOM 1538 O PRO B 110 0.187 -1.605 6.497 1.00 0.00 O ATOM 1539 CB PRO B 110 -1.501 0.510 4.674 1.00 0.00 C ATOM 1540 CG PRO B 110 -1.202 0.750 3.227 1.00 0.00 C ATOM 1541 CD PRO B 110 0.111 1.491 3.152 1.00 0.00 C ATOM 0 HA PRO B 110 -0.181 0.878 6.384 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -2.032 -0.432 4.815 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -2.136 1.298 5.080 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -1.141 -0.194 2.686 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -1.998 1.332 2.762 1.00 0.00 H new ATOM 0 HD2 PRO B 110 0.743 1.099 2.355 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -0.042 2.550 2.946 1.00 0.00 H new ATOM 1549 N PHE B 111 1.053 -1.446 4.485 1.00 0.00 N ATOM 1550 CA PHE B 111 1.586 -2.839 4.564 1.00 0.00 C ATOM 1551 C PHE B 111 2.957 -2.838 5.247 1.00 0.00 C ATOM 1552 O PHE B 111 3.560 -3.873 5.451 1.00 0.00 O ATOM 1553 CB PHE B 111 1.709 -3.311 3.112 1.00 0.00 C ATOM 1554 CG PHE B 111 0.372 -3.179 2.427 1.00 0.00 C ATOM 1555 CD1 PHE B 111 -0.674 -4.036 2.780 1.00 0.00 C ATOM 1556 CD2 PHE B 111 0.177 -2.201 1.443 1.00 0.00 C ATOM 1557 CE1 PHE B 111 -1.915 -3.918 2.151 1.00 0.00 C ATOM 1558 CE2 PHE B 111 -1.065 -2.083 0.815 1.00 0.00 C ATOM 1559 CZ PHE B 111 -2.111 -2.941 1.169 1.00 0.00 C ATOM 0 H PHE B 111 1.253 -0.951 3.616 1.00 0.00 H new ATOM 0 HA PHE B 111 0.938 -3.494 5.146 1.00 0.00 H new ATOM 0 HB2 PHE B 111 2.459 -2.718 2.588 1.00 0.00 H new ATOM 0 HB3 PHE B 111 2.044 -4.348 3.082 1.00 0.00 H new ATOM 0 HD1 PHE B 111 -0.523 -4.789 3.539 1.00 0.00 H new ATOM 0 HD2 PHE B 111 0.986 -1.539 1.170 1.00 0.00 H new ATOM 0 HE1 PHE B 111 -2.723 -4.581 2.422 1.00 0.00 H new ATOM 0 HE2 PHE B 111 -1.217 -1.330 0.056 1.00 0.00 H new ATOM 0 HZ PHE B 111 -3.071 -2.849 0.684 1.00 0.00 H new ATOM 1569 N LEU B 112 3.451 -1.684 5.607 1.00 0.00 N ATOM 1570 CA LEU B 112 4.780 -1.618 6.282 1.00 0.00 C ATOM 1571 C LEU B 112 4.626 -1.058 7.698 1.00 0.00 C ATOM 1572 O LEU B 112 4.287 0.107 7.819 1.00 0.00 O ATOM 1573 CB LEU B 112 5.619 -0.674 5.420 1.00 0.00 C ATOM 1574 CG LEU B 112 6.941 -1.352 5.062 1.00 0.00 C ATOM 1575 CD1 LEU B 112 6.824 -1.998 3.680 1.00 0.00 C ATOM 1576 CD2 LEU B 112 8.061 -0.310 5.044 1.00 0.00 C ATOM 1577 OXT LEU B 112 4.851 -1.804 8.636 1.00 0.00 O ATOM 0 H LEU B 112 2.992 -0.784 5.463 1.00 0.00 H new ATOM 0 HA LEU B 112 5.243 -2.600 6.377 1.00 0.00 H new ATOM 0 HB2 LEU B 112 5.075 -0.412 4.513 1.00 0.00 H new ATOM 0 HB3 LEU B 112 5.808 0.255 5.957 1.00 0.00 H new ATOM 0 HG LEU B 112 7.169 -2.117 5.804 1.00 0.00 H new ATOM 0 HD11 LEU B 112 7.766 -2.482 3.424 1.00 0.00 H new ATOM 0 HD12 LEU B 112 6.026 -2.741 3.692 1.00 0.00 H new ATOM 0 HD13 LEU B 112 6.596 -1.232 2.939 1.00 0.00 H new ATOM 0 HD21 LEU B 112 9.004 -0.794 4.789 1.00 0.00 H new ATOM 0 HD22 LEU B 112 7.834 0.456 4.302 1.00 0.00 H new ATOM 0 HD23 LEU B 112 8.145 0.151 6.028 1.00 0.00 H new TER 1589 LEU B 112 HETATM 1590 CA CA A 113 -0.330 9.416 -2.845 1.00 0.00 CA