USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 934 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 65 ASN :FLIP amide:sc= 1.18 F(o=1.9,f=2.4) USER MOD Set 1.2: A 88 TYR OH : rot 71:sc= 1.27 USER MOD Single : A 1 GLN :FLIP amide:sc= -1.64! C(o=-10!,f=-1.6!) USER MOD Single : A 1 GLN N :NH3+ 161:sc= 1.29 (180deg=1.08) USER MOD Single : A 3 ASN : amide:sc= 0.0157 X(o=0.016,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.527 USER MOD Single : A 15 GLN :FLIP amide:sc= -4.64! C(o=-6.3!,f=-4.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -127:sc= -3.74! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.478 K(o=-0.48,f=-3.7!) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.154 USER MOD Single : A 36 TYR OH : rot -80:sc= 1.33 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -68:sc= 0.641 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0363 K(o=-0.036,f=-1.4!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -3.05! C(o=-3!,f=-6.6!) USER MOD Single : A 73 MET CE :methyl 148:sc= -1.57 (180deg=-2.9!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0478 K(o=-0.048,f=-0.6) USER MOD Single : A 84 SER OG : rot -65:sc= 0.566 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= -0.0081 (180deg=-0.163) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -150:sc= 0.44 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 80:sc= -2.85! USER MOD Single : A 99 SER OG : rot -116:sc= 1.28 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 150:sc= -0.2 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -60:sc= -2.5! USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 115 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.4!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.239 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 23.697 -8.050 -15.593 1.00 0.00 N ATOM 2 CA GLN A 1 23.042 -9.284 -15.907 1.00 0.00 C ATOM 3 C GLN A 1 21.546 -9.146 -15.890 1.00 0.00 C ATOM 4 O GLN A 1 20.901 -9.188 -16.954 1.00 0.00 O ATOM 5 CB GLN A 1 23.529 -10.419 -14.986 1.00 0.00 C ATOM 6 CG GLN A 1 24.927 -10.969 -15.362 1.00 0.00 C ATOM 7 CD GLN A 1 26.109 -10.197 -14.719 1.00 0.00 C ATOM 8 OE1 GLN A 1 26.056 -8.876 -14.711 1.00 0.00 O flip ATOM 9 NE2 GLN A 1 27.084 -10.807 -14.303 1.00 0.00 N flip ATOM 0 H1 GLN A 1 24.676 -8.242 -15.300 1.00 0.00 H new ATOM 0 H2 GLN A 1 23.700 -7.435 -16.432 1.00 0.00 H new ATOM 0 H3 GLN A 1 23.191 -7.576 -14.818 1.00 0.00 H new ATOM 0 HA GLN A 1 23.316 -9.551 -16.928 1.00 0.00 H new ATOM 0 HB2 GLN A 1 23.556 -10.055 -13.959 1.00 0.00 H new ATOM 0 HB3 GLN A 1 22.807 -11.235 -15.017 1.00 0.00 H new ATOM 0 HG2 GLN A 1 24.986 -12.015 -15.063 1.00 0.00 H new ATOM 0 HG3 GLN A 1 25.036 -10.941 -16.446 1.00 0.00 H new ATOM 0 HE21 GLN A 1 27.094 -11.827 -14.323 1.00 0.00 H new ATOM 0 HE22 GLN A 1 27.887 -10.296 -13.936 1.00 0.00 H new ATOM 18 N CYS A 2 20.942 -8.965 -14.690 1.00 0.00 N ATOM 19 CA CYS A 2 19.507 -8.896 -14.659 1.00 0.00 C ATOM 20 C CYS A 2 19.018 -7.547 -15.182 1.00 0.00 C ATOM 21 O CYS A 2 17.883 -7.401 -15.599 1.00 0.00 O ATOM 22 CB CYS A 2 18.872 -9.185 -13.314 1.00 0.00 C ATOM 23 SG CYS A 2 19.815 -9.943 -11.940 1.00 0.00 S ATOM 0 H CYS A 2 21.416 -8.871 -13.792 1.00 0.00 H new ATOM 0 HA CYS A 2 19.182 -9.704 -15.315 1.00 0.00 H new ATOM 0 HB2 CYS A 2 18.480 -8.239 -12.942 1.00 0.00 H new ATOM 0 HB3 CYS A 2 18.016 -9.833 -13.503 1.00 0.00 H new ATOM 28 N ASN A 3 19.916 -6.554 -15.124 1.00 0.00 N ATOM 29 CA ASN A 3 19.624 -5.172 -15.568 1.00 0.00 C ATOM 30 C ASN A 3 18.479 -4.536 -14.903 1.00 0.00 C ATOM 31 O ASN A 3 17.550 -4.078 -15.567 1.00 0.00 O ATOM 32 CB ASN A 3 19.459 -5.084 -17.052 1.00 0.00 C ATOM 33 CG ASN A 3 20.757 -5.313 -17.707 1.00 0.00 C ATOM 34 OD1 ASN A 3 21.579 -4.422 -17.810 1.00 0.00 O ATOM 35 ND2 ASN A 3 21.005 -6.510 -18.056 1.00 0.00 N ATOM 0 H ASN A 3 20.864 -6.679 -14.770 1.00 0.00 H new ATOM 0 HA ASN A 3 20.506 -4.609 -15.263 1.00 0.00 H new ATOM 0 HB2 ASN A 3 18.733 -5.823 -17.392 1.00 0.00 H new ATOM 0 HB3 ASN A 3 19.069 -4.104 -17.327 1.00 0.00 H new ATOM 0 HD21 ASN A 3 21.920 -6.751 -18.438 1.00 0.00 H new ATOM 0 HD22 ASN A 3 20.289 -7.230 -17.954 1.00 0.00 H new ATOM 42 N ALA A 4 18.520 -4.536 -13.583 1.00 0.00 N ATOM 43 CA ALA A 4 17.563 -3.764 -12.776 1.00 0.00 C ATOM 44 C ALA A 4 16.190 -4.404 -12.743 1.00 0.00 C ATOM 45 O ALA A 4 15.481 -4.428 -13.734 1.00 0.00 O ATOM 46 CB ALA A 4 17.485 -2.364 -13.309 1.00 0.00 C ATOM 0 H ALA A 4 19.203 -5.060 -13.036 1.00 0.00 H new ATOM 0 HA ALA A 4 17.922 -3.748 -11.747 1.00 0.00 H new ATOM 0 HB1 ALA A 4 16.777 -1.787 -12.714 1.00 0.00 H new ATOM 0 HB2 ALA A 4 18.469 -1.898 -13.254 1.00 0.00 H new ATOM 0 HB3 ALA A 4 17.153 -2.388 -14.347 1.00 0.00 H new ATOM 52 N PRO A 5 15.841 -5.016 -11.601 1.00 0.00 N ATOM 53 CA PRO A 5 14.588 -5.799 -11.499 1.00 0.00 C ATOM 54 C PRO A 5 13.366 -5.030 -11.871 1.00 0.00 C ATOM 55 O PRO A 5 12.596 -5.424 -12.761 1.00 0.00 O ATOM 56 CB PRO A 5 14.437 -5.991 -9.986 1.00 0.00 C ATOM 57 CG PRO A 5 15.745 -5.652 -9.341 1.00 0.00 C ATOM 58 CD PRO A 5 16.647 -5.030 -10.366 1.00 0.00 C ATOM 0 HA PRO A 5 14.657 -6.679 -12.139 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.644 -5.351 -9.598 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.156 -7.019 -9.759 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.588 -4.964 -8.510 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.206 -6.550 -8.929 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.945 -4.023 -10.074 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.562 -5.609 -10.495 1.00 0.00 H new ATOM 66 N GLU A 6 13.279 -3.861 -11.218 1.00 0.00 N ATOM 67 CA GLU A 6 12.165 -2.975 -11.259 1.00 0.00 C ATOM 68 C GLU A 6 12.075 -2.219 -9.908 1.00 0.00 C ATOM 69 O GLU A 6 12.704 -2.616 -8.913 1.00 0.00 O ATOM 70 CB GLU A 6 10.881 -3.785 -11.483 1.00 0.00 C ATOM 71 CG GLU A 6 9.643 -3.013 -11.300 1.00 0.00 C ATOM 72 CD GLU A 6 9.435 -1.947 -12.355 1.00 0.00 C ATOM 73 OE1 GLU A 6 10.035 -2.060 -13.449 1.00 0.00 O ATOM 74 OE2 GLU A 6 8.701 -0.978 -12.082 1.00 0.00 O ATOM 0 H GLU A 6 14.034 -3.515 -10.626 1.00 0.00 H new ATOM 0 HA GLU A 6 12.286 -2.260 -12.073 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.895 -4.195 -12.493 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.874 -4.631 -10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.793 -3.696 -11.312 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.660 -2.542 -10.317 1.00 0.00 H new ATOM 81 N TRP A 7 11.318 -1.151 -9.862 1.00 0.00 N ATOM 82 CA TRP A 7 11.018 -0.497 -8.608 1.00 0.00 C ATOM 83 C TRP A 7 9.764 -1.094 -8.034 1.00 0.00 C ATOM 84 O TRP A 7 8.717 -1.107 -8.678 1.00 0.00 O ATOM 85 CB TRP A 7 10.837 1.018 -8.788 1.00 0.00 C ATOM 86 CG TRP A 7 10.346 1.663 -7.527 1.00 0.00 C ATOM 87 CD1 TRP A 7 11.053 1.933 -6.392 1.00 0.00 C ATOM 88 CD2 TRP A 7 9.030 2.184 -7.297 1.00 0.00 C ATOM 89 NE1 TRP A 7 10.251 2.538 -5.469 1.00 0.00 N ATOM 90 CE2 TRP A 7 9.006 2.716 -6.005 1.00 0.00 C ATOM 91 CE3 TRP A 7 7.872 2.229 -8.061 1.00 0.00 C ATOM 92 CZ2 TRP A 7 7.865 3.295 -5.456 1.00 0.00 C ATOM 93 CZ3 TRP A 7 6.739 2.803 -7.531 1.00 0.00 C ATOM 94 CH2 TRP A 7 6.742 3.333 -6.237 1.00 0.00 C ATOM 0 H TRP A 7 10.896 -0.713 -10.681 1.00 0.00 H new ATOM 0 HA TRP A 7 11.857 -0.651 -7.929 1.00 0.00 H new ATOM 0 HB2 TRP A 7 11.785 1.467 -9.083 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.130 1.208 -9.595 1.00 0.00 H new ATOM 0 HD1 TRP A 7 12.098 1.701 -6.245 1.00 0.00 H new ATOM 0 HE1 TRP A 7 10.535 2.814 -4.529 1.00 0.00 H new ATOM 0 HE3 TRP A 7 7.860 1.818 -9.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 7.866 3.698 -4.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.836 2.845 -8.122 1.00 0.00 H new ATOM 0 HH2 TRP A 7 5.840 3.781 -5.846 1.00 0.00 H new ATOM 105 N LEU A 8 9.868 -1.573 -6.830 1.00 0.00 N ATOM 106 CA LEU A 8 8.764 -2.207 -6.203 1.00 0.00 C ATOM 107 C LEU A 8 8.221 -1.300 -5.141 1.00 0.00 C ATOM 108 O LEU A 8 8.898 -1.027 -4.163 1.00 0.00 O ATOM 109 CB LEU A 8 9.180 -3.535 -5.582 1.00 0.00 C ATOM 110 CG LEU A 8 8.095 -4.601 -5.521 1.00 0.00 C ATOM 111 CD1 LEU A 8 7.576 -4.918 -6.902 1.00 0.00 C ATOM 112 CD2 LEU A 8 8.588 -5.866 -4.844 1.00 0.00 C ATOM 0 H LEU A 8 10.716 -1.532 -6.265 1.00 0.00 H new ATOM 0 HA LEU A 8 7.999 -2.408 -6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.023 -3.932 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.536 -3.346 -4.569 1.00 0.00 H new ATOM 0 HG LEU A 8 7.279 -4.197 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.802 -5.682 -6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.157 -4.016 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.394 -5.285 -7.523 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.785 -6.603 -4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.434 -6.270 -5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.900 -5.636 -3.825 1.00 0.00 H new ATOM 124 N PRO A 9 7.014 -0.792 -5.314 1.00 0.00 N ATOM 125 CA PRO A 9 6.460 0.177 -4.366 1.00 0.00 C ATOM 126 C PRO A 9 6.336 -0.415 -2.963 1.00 0.00 C ATOM 127 O PRO A 9 6.444 0.279 -1.950 1.00 0.00 O ATOM 128 CB PRO A 9 5.035 0.461 -4.941 1.00 0.00 C ATOM 129 CG PRO A 9 4.729 -0.741 -5.771 1.00 0.00 C ATOM 130 CD PRO A 9 6.041 -1.178 -6.362 1.00 0.00 C ATOM 0 HA PRO A 9 7.088 1.063 -4.267 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.303 0.592 -4.144 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.021 1.372 -5.539 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.291 -1.533 -5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.008 -0.503 -6.553 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.060 -2.250 -6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.246 -0.678 -7.309 1.00 0.00 H new ATOM 138 N PHE A 10 6.112 -1.711 -2.953 1.00 0.00 N ATOM 139 CA PHE A 10 5.920 -2.467 -1.764 1.00 0.00 C ATOM 140 C PHE A 10 7.214 -2.467 -0.955 1.00 0.00 C ATOM 141 O PHE A 10 7.227 -2.333 0.269 1.00 0.00 O ATOM 142 CB PHE A 10 5.695 -3.899 -2.107 1.00 0.00 C ATOM 143 CG PHE A 10 4.582 -4.174 -3.054 1.00 0.00 C ATOM 144 CD1 PHE A 10 3.308 -3.624 -2.938 1.00 0.00 C ATOM 145 CD2 PHE A 10 4.869 -4.975 -4.131 1.00 0.00 C ATOM 146 CE1 PHE A 10 2.346 -3.906 -3.906 1.00 0.00 C ATOM 147 CE2 PHE A 10 3.934 -5.250 -5.087 1.00 0.00 C ATOM 148 CZ PHE A 10 2.681 -4.725 -4.983 1.00 0.00 C ATOM 0 H PHE A 10 6.059 -2.271 -3.804 1.00 0.00 H new ATOM 0 HA PHE A 10 5.080 -2.033 -1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.615 -4.299 -2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.505 -4.448 -1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.067 -2.983 -2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.858 -5.398 -4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.351 -3.494 -3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.187 -5.883 -5.925 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.943 -4.945 -5.740 1.00 0.00 H new ATOM 158 N ALA A 11 8.319 -2.613 -1.702 1.00 0.00 N ATOM 159 CA ALA A 11 9.617 -2.973 -1.148 1.00 0.00 C ATOM 160 C ALA A 11 10.704 -1.964 -1.421 1.00 0.00 C ATOM 161 O ALA A 11 10.746 -1.345 -2.469 1.00 0.00 O ATOM 162 CB ALA A 11 10.005 -4.306 -1.771 1.00 0.00 C ATOM 0 H ALA A 11 8.329 -2.482 -2.713 1.00 0.00 H new ATOM 0 HA ALA A 11 9.522 -3.018 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.975 -4.619 -1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.255 -5.057 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.063 -4.198 -2.854 1.00 0.00 H new ATOM 168 N ARG A 12 11.593 -1.817 -0.483 1.00 0.00 N ATOM 169 CA ARG A 12 12.729 -0.955 -0.683 1.00 0.00 C ATOM 170 C ARG A 12 13.998 -1.749 -0.449 1.00 0.00 C ATOM 171 O ARG A 12 14.485 -1.835 0.674 1.00 0.00 O ATOM 172 CB ARG A 12 12.676 0.265 0.217 1.00 0.00 C ATOM 173 CG ARG A 12 12.555 1.577 -0.546 1.00 0.00 C ATOM 174 CD ARG A 12 11.352 1.604 -1.506 1.00 0.00 C ATOM 175 NE ARG A 12 10.114 1.113 -0.879 1.00 0.00 N ATOM 176 CZ ARG A 12 9.467 1.706 0.132 1.00 0.00 C ATOM 177 NH1 ARG A 12 9.871 2.902 0.592 1.00 0.00 N ATOM 178 NH2 ARG A 12 8.395 1.104 0.677 1.00 0.00 N ATOM 0 H ARG A 12 11.557 -2.279 0.426 1.00 0.00 H new ATOM 0 HA ARG A 12 12.713 -0.587 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.829 0.169 0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.576 0.293 0.832 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.464 2.398 0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.470 1.747 -1.114 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.196 2.624 -1.858 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.577 0.995 -2.382 1.00 0.00 H new ATOM 0 HE ARG A 12 9.716 0.248 -1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.676 3.365 0.171 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.372 3.347 1.363 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.080 0.202 0.320 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.897 1.549 1.448 1.00 0.00 H new ATOM 192 N PRO A 13 14.495 -2.406 -1.492 1.00 0.00 N ATOM 193 CA PRO A 13 15.684 -3.236 -1.408 1.00 0.00 C ATOM 194 C PRO A 13 16.869 -2.382 -1.050 1.00 0.00 C ATOM 195 O PRO A 13 16.965 -1.238 -1.466 1.00 0.00 O ATOM 196 CB PRO A 13 15.839 -3.878 -2.760 1.00 0.00 C ATOM 197 CG PRO A 13 14.560 -3.599 -3.492 1.00 0.00 C ATOM 198 CD PRO A 13 13.960 -2.359 -2.861 1.00 0.00 C ATOM 0 HA PRO A 13 15.606 -4.002 -0.636 1.00 0.00 H new ATOM 0 HB2 PRO A 13 16.694 -3.464 -3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.011 -4.950 -2.667 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.748 -3.441 -4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.876 -4.444 -3.412 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.262 -1.451 -3.384 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.870 -2.385 -2.872 1.00 0.00 H new ATOM 206 N THR A 14 17.779 -2.964 -0.364 1.00 0.00 N ATOM 207 CA THR A 14 18.842 -2.210 0.280 1.00 0.00 C ATOM 208 C THR A 14 20.059 -2.083 -0.628 1.00 0.00 C ATOM 209 O THR A 14 21.044 -1.434 -0.274 1.00 0.00 O ATOM 210 CB THR A 14 19.330 -2.963 1.546 1.00 0.00 C ATOM 211 OG1 THR A 14 20.290 -3.946 1.183 1.00 0.00 O ATOM 212 CG2 THR A 14 18.180 -3.683 2.233 1.00 0.00 C ATOM 0 H THR A 14 17.828 -3.973 -0.220 1.00 0.00 H new ATOM 0 HA THR A 14 18.434 -1.228 0.518 1.00 0.00 H new ATOM 0 HB THR A 14 19.760 -2.223 2.221 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.596 -4.417 1.986 1.00 0.00 H new ATOM 0 HG21 THR A 14 18.552 -4.202 3.117 1.00 0.00 H new ATOM 0 HG22 THR A 14 17.422 -2.958 2.530 1.00 0.00 H new ATOM 0 HG23 THR A 14 17.741 -4.406 1.546 1.00 0.00 H new ATOM 220 N GLN A 15 19.989 -2.702 -1.781 1.00 0.00 N ATOM 221 CA GLN A 15 21.163 -2.852 -2.606 1.00 0.00 C ATOM 222 C GLN A 15 21.007 -2.102 -3.942 1.00 0.00 C ATOM 223 O GLN A 15 21.818 -1.275 -4.302 1.00 0.00 O ATOM 224 CB GLN A 15 21.226 -4.307 -2.932 1.00 0.00 C ATOM 225 CG GLN A 15 21.067 -5.207 -1.777 1.00 0.00 C ATOM 226 CD GLN A 15 20.399 -6.447 -2.270 1.00 0.00 C ATOM 227 OE1 GLN A 15 19.083 -6.361 -2.409 1.00 0.00 O flip ATOM 228 NE2 GLN A 15 21.026 -7.423 -2.635 1.00 0.00 N flip ATOM 0 H GLN A 15 19.137 -3.108 -2.168 1.00 0.00 H new ATOM 0 HA GLN A 15 22.041 -2.466 -2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.449 -4.535 -3.662 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.183 -4.517 -3.409 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.036 -5.442 -1.336 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.470 -4.732 -0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 15 22.038 -7.454 -2.512 1.00 0.00 H new ATOM 0 HE22 GLN A 15 20.540 -8.210 -3.064 1.00 0.00 H new ATOM 237 N LEU A 16 19.867 -2.325 -4.583 1.00 0.00 N ATOM 238 CA LEU A 16 19.627 -1.928 -5.985 1.00 0.00 C ATOM 239 C LEU A 16 19.623 -0.424 -6.225 1.00 0.00 C ATOM 240 O LEU A 16 19.748 0.009 -7.363 1.00 0.00 O ATOM 241 CB LEU A 16 18.311 -2.587 -6.501 1.00 0.00 C ATOM 242 CG LEU A 16 17.097 -1.629 -6.707 1.00 0.00 C ATOM 243 CD1 LEU A 16 15.981 -2.312 -7.495 1.00 0.00 C ATOM 244 CD2 LEU A 16 16.540 -1.161 -5.369 1.00 0.00 C ATOM 0 H LEU A 16 19.069 -2.790 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 16 20.478 -2.296 -6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.524 -3.080 -7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 16 18.018 -3.365 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 16 17.460 -0.770 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.149 -1.619 -7.622 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.357 -2.611 -8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.639 -3.193 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.695 -0.494 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.211 -2.024 -4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 16 17.316 -0.629 -4.818 1.00 0.00 H new ATOM 256 N THR A 17 19.510 0.362 -5.192 1.00 0.00 N ATOM 257 CA THR A 17 19.471 1.793 -5.353 1.00 0.00 C ATOM 258 C THR A 17 20.785 2.280 -6.012 1.00 0.00 C ATOM 259 O THR A 17 20.766 3.156 -6.889 1.00 0.00 O ATOM 260 CB THR A 17 19.214 2.507 -3.988 1.00 0.00 C ATOM 261 OG1 THR A 17 19.272 3.937 -4.109 1.00 0.00 O ATOM 262 CG2 THR A 17 20.185 2.036 -2.901 1.00 0.00 C ATOM 0 H THR A 17 19.443 0.038 -4.227 1.00 0.00 H new ATOM 0 HA THR A 17 18.639 2.052 -6.008 1.00 0.00 H new ATOM 0 HB THR A 17 18.204 2.229 -3.689 1.00 0.00 H new ATOM 0 HG1 THR A 17 19.105 4.346 -3.234 1.00 0.00 H new ATOM 0 HG21 THR A 17 19.969 2.559 -1.969 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.069 0.963 -2.750 1.00 0.00 H new ATOM 0 HG23 THR A 17 21.208 2.251 -3.209 1.00 0.00 H new ATOM 270 N ASP A 18 21.910 1.751 -5.570 1.00 0.00 N ATOM 271 CA ASP A 18 23.192 2.107 -6.152 1.00 0.00 C ATOM 272 C ASP A 18 23.686 1.059 -7.137 1.00 0.00 C ATOM 273 O ASP A 18 24.729 1.225 -7.753 1.00 0.00 O ATOM 274 CB ASP A 18 24.227 2.296 -5.043 1.00 0.00 C ATOM 275 CG ASP A 18 23.898 3.419 -4.093 1.00 0.00 C ATOM 276 OD1 ASP A 18 23.757 4.567 -4.578 1.00 0.00 O ATOM 277 OD2 ASP A 18 23.779 3.171 -2.878 1.00 0.00 O ATOM 0 H ASP A 18 21.963 1.073 -4.810 1.00 0.00 H new ATOM 0 HA ASP A 18 23.055 3.038 -6.702 1.00 0.00 H new ATOM 0 HB2 ASP A 18 24.315 1.368 -4.478 1.00 0.00 H new ATOM 0 HB3 ASP A 18 25.200 2.488 -5.495 1.00 0.00 H new ATOM 282 N GLU A 19 22.936 -0.024 -7.273 1.00 0.00 N ATOM 283 CA GLU A 19 23.355 -1.142 -8.060 1.00 0.00 C ATOM 284 C GLU A 19 22.201 -1.964 -8.495 1.00 0.00 C ATOM 285 O GLU A 19 21.829 -2.941 -7.914 1.00 0.00 O ATOM 286 CB GLU A 19 24.363 -1.972 -7.298 1.00 0.00 C ATOM 287 CG GLU A 19 23.917 -2.396 -5.921 1.00 0.00 C ATOM 288 CD GLU A 19 24.962 -3.210 -5.157 1.00 0.00 C ATOM 289 OE1 GLU A 19 25.993 -3.585 -5.763 1.00 0.00 O ATOM 290 OE2 GLU A 19 24.766 -3.455 -3.949 1.00 0.00 O ATOM 0 H GLU A 19 22.022 -0.139 -6.835 1.00 0.00 H new ATOM 0 HA GLU A 19 23.835 -0.761 -8.961 1.00 0.00 H new ATOM 0 HB2 GLU A 19 24.594 -2.864 -7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 19 25.288 -1.402 -7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.667 -1.508 -5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.005 -2.986 -6.010 1.00 0.00 H new ATOM 297 N PHE A 20 21.628 -1.492 -9.502 1.00 0.00 N ATOM 298 CA PHE A 20 20.544 -2.107 -10.195 1.00 0.00 C ATOM 299 C PHE A 20 21.012 -3.420 -10.842 1.00 0.00 C ATOM 300 O PHE A 20 20.268 -4.402 -10.921 1.00 0.00 O ATOM 301 CB PHE A 20 20.071 -1.161 -11.252 1.00 0.00 C ATOM 302 CG PHE A 20 19.508 0.101 -10.662 1.00 0.00 C ATOM 303 CD1 PHE A 20 18.217 0.168 -10.180 1.00 0.00 C ATOM 304 CD2 PHE A 20 20.326 1.210 -10.549 1.00 0.00 C ATOM 305 CE1 PHE A 20 17.746 1.332 -9.607 1.00 0.00 C ATOM 306 CE2 PHE A 20 19.876 2.375 -9.975 1.00 0.00 C ATOM 307 CZ PHE A 20 18.584 2.442 -9.508 1.00 0.00 C ATOM 0 H PHE A 20 21.904 -0.601 -9.915 1.00 0.00 H new ATOM 0 HA PHE A 20 19.735 -2.334 -9.501 1.00 0.00 H new ATOM 0 HB2 PHE A 20 20.900 -0.914 -11.915 1.00 0.00 H new ATOM 0 HB3 PHE A 20 19.310 -1.648 -11.861 1.00 0.00 H new ATOM 0 HD1 PHE A 20 17.572 -0.695 -10.251 1.00 0.00 H new ATOM 0 HD2 PHE A 20 21.339 1.160 -10.919 1.00 0.00 H new ATOM 0 HE1 PHE A 20 16.733 1.383 -9.237 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.531 3.230 -9.891 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.218 3.356 -9.064 1.00 0.00 H new ATOM 317 N GLU A 21 22.251 -3.399 -11.349 1.00 0.00 N ATOM 318 CA GLU A 21 22.780 -4.490 -12.107 1.00 0.00 C ATOM 319 C GLU A 21 23.452 -5.521 -11.192 1.00 0.00 C ATOM 320 O GLU A 21 24.382 -5.184 -10.455 1.00 0.00 O ATOM 321 CB GLU A 21 23.821 -3.964 -13.117 1.00 0.00 C ATOM 322 CG GLU A 21 23.262 -2.990 -14.146 1.00 0.00 C ATOM 323 CD GLU A 21 23.167 -1.549 -13.602 1.00 0.00 C ATOM 324 OE1 GLU A 21 23.449 -1.321 -12.377 1.00 0.00 O ATOM 325 OE2 GLU A 21 22.844 -0.639 -14.388 1.00 0.00 O ATOM 0 H GLU A 21 22.897 -2.618 -11.234 1.00 0.00 H new ATOM 0 HA GLU A 21 21.954 -4.970 -12.632 1.00 0.00 H new ATOM 0 HB2 GLU A 21 24.625 -3.473 -12.569 1.00 0.00 H new ATOM 0 HB3 GLU A 21 24.263 -4.812 -13.640 1.00 0.00 H new ATOM 0 HG2 GLU A 21 23.896 -2.999 -15.033 1.00 0.00 H new ATOM 0 HG3 GLU A 21 22.272 -3.324 -14.458 1.00 0.00 H new ATOM 332 N PHE A 22 23.009 -6.791 -11.266 1.00 0.00 N ATOM 333 CA PHE A 22 23.565 -7.866 -10.449 1.00 0.00 C ATOM 334 C PHE A 22 23.824 -9.089 -11.325 1.00 0.00 C ATOM 335 O PHE A 22 23.152 -9.266 -12.327 1.00 0.00 O ATOM 336 CB PHE A 22 22.572 -8.280 -9.345 1.00 0.00 C ATOM 337 CG PHE A 22 22.291 -7.246 -8.294 1.00 0.00 C ATOM 338 CD1 PHE A 22 23.149 -7.079 -7.210 1.00 0.00 C ATOM 339 CD2 PHE A 22 21.162 -6.471 -8.371 1.00 0.00 C ATOM 340 CE1 PHE A 22 22.877 -6.153 -6.231 1.00 0.00 C ATOM 341 CE2 PHE A 22 20.874 -5.537 -7.398 1.00 0.00 C ATOM 342 CZ PHE A 22 21.736 -5.381 -6.322 1.00 0.00 C ATOM 0 H PHE A 22 22.261 -7.090 -11.892 1.00 0.00 H new ATOM 0 HA PHE A 22 24.490 -7.505 -9.998 1.00 0.00 H new ATOM 0 HB2 PHE A 22 21.629 -8.556 -9.817 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.957 -9.174 -8.854 1.00 0.00 H new ATOM 0 HD1 PHE A 22 24.040 -7.685 -7.137 1.00 0.00 H new ATOM 0 HD2 PHE A 22 20.488 -6.594 -9.206 1.00 0.00 H new ATOM 0 HE1 PHE A 22 23.551 -6.030 -5.396 1.00 0.00 H new ATOM 0 HE2 PHE A 22 19.983 -4.931 -7.473 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.514 -4.654 -5.554 1.00 0.00 H new ATOM 352 N PRO A 23 24.843 -9.882 -10.984 1.00 0.00 N ATOM 353 CA PRO A 23 25.182 -11.150 -11.656 1.00 0.00 C ATOM 354 C PRO A 23 24.185 -12.295 -11.381 1.00 0.00 C ATOM 355 O PRO A 23 23.442 -12.272 -10.399 1.00 0.00 O ATOM 356 CB PRO A 23 26.571 -11.490 -11.126 1.00 0.00 C ATOM 357 CG PRO A 23 26.563 -10.920 -9.769 1.00 0.00 C ATOM 358 CD PRO A 23 25.830 -9.610 -9.894 1.00 0.00 C ATOM 0 HA PRO A 23 25.144 -11.034 -12.739 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.743 -12.566 -11.110 1.00 0.00 H new ATOM 0 HB3 PRO A 23 27.356 -11.051 -11.742 1.00 0.00 H new ATOM 0 HG2 PRO A 23 26.063 -11.585 -9.066 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.577 -10.770 -9.399 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.337 -9.333 -8.962 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.504 -8.793 -10.154 1.00 0.00 H new ATOM 366 N ILE A 24 24.193 -13.278 -12.264 1.00 0.00 N ATOM 367 CA ILE A 24 23.374 -14.482 -12.110 1.00 0.00 C ATOM 368 C ILE A 24 23.878 -15.283 -10.951 1.00 0.00 C ATOM 369 O ILE A 24 25.066 -15.533 -10.806 1.00 0.00 O ATOM 370 CB ILE A 24 23.413 -15.354 -13.397 1.00 0.00 C ATOM 371 CG1 ILE A 24 22.577 -14.729 -14.485 1.00 0.00 C ATOM 372 CG2 ILE A 24 22.911 -16.792 -13.099 1.00 0.00 C ATOM 373 CD1 ILE A 24 22.906 -15.227 -15.848 1.00 0.00 C ATOM 0 H ILE A 24 24.764 -13.271 -13.109 1.00 0.00 H new ATOM 0 HA ILE A 24 22.343 -14.176 -11.933 1.00 0.00 H new ATOM 0 HB ILE A 24 24.447 -15.410 -13.738 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.524 -14.924 -14.280 1.00 0.00 H new ATOM 0 HG13 ILE A 24 22.712 -13.648 -14.460 1.00 0.00 H new ATOM 0 HG21 ILE A 24 22.946 -17.386 -14.012 1.00 0.00 H new ATOM 0 HG22 ILE A 24 23.548 -17.251 -12.343 1.00 0.00 H new ATOM 0 HG23 ILE A 24 21.885 -16.751 -12.732 1.00 0.00 H new ATOM 0 HD11 ILE A 24 22.266 -14.734 -16.580 1.00 0.00 H new ATOM 0 HD12 ILE A 24 23.950 -15.008 -16.073 1.00 0.00 H new ATOM 0 HD13 ILE A 24 22.744 -16.304 -15.891 1.00 0.00 H new ATOM 385 N GLY A 25 22.949 -15.698 -10.119 1.00 0.00 N ATOM 386 CA GLY A 25 23.327 -16.388 -8.898 1.00 0.00 C ATOM 387 C GLY A 25 23.549 -15.436 -7.738 1.00 0.00 C ATOM 388 O GLY A 25 24.228 -15.746 -6.763 1.00 0.00 O ATOM 0 H GLY A 25 21.946 -15.575 -10.257 1.00 0.00 H new ATOM 0 HA2 GLY A 25 22.549 -17.103 -8.633 1.00 0.00 H new ATOM 0 HA3 GLY A 25 24.238 -16.959 -9.075 1.00 0.00 H new ATOM 392 N THR A 26 22.961 -14.266 -7.854 1.00 0.00 N ATOM 393 CA THR A 26 23.008 -13.269 -6.795 1.00 0.00 C ATOM 394 C THR A 26 21.610 -13.035 -6.260 1.00 0.00 C ATOM 395 O THR A 26 20.656 -12.840 -7.021 1.00 0.00 O ATOM 396 CB THR A 26 23.622 -11.951 -7.275 1.00 0.00 C ATOM 397 OG1 THR A 26 24.981 -12.177 -7.653 1.00 0.00 O ATOM 398 CG2 THR A 26 23.586 -10.877 -6.199 1.00 0.00 C ATOM 0 H THR A 26 22.438 -13.975 -8.680 1.00 0.00 H new ATOM 0 HA THR A 26 23.648 -13.651 -6.000 1.00 0.00 H new ATOM 0 HB THR A 26 23.032 -11.601 -8.122 1.00 0.00 H new ATOM 0 HG1 THR A 26 25.561 -11.540 -7.185 1.00 0.00 H new ATOM 0 HG21 THR A 26 24.032 -9.960 -6.585 1.00 0.00 H new ATOM 0 HG22 THR A 26 22.552 -10.685 -5.911 1.00 0.00 H new ATOM 0 HG23 THR A 26 24.148 -11.215 -5.328 1.00 0.00 H new ATOM 406 N TYR A 27 21.506 -13.105 -4.939 1.00 0.00 N ATOM 407 CA TYR A 27 20.231 -13.019 -4.235 1.00 0.00 C ATOM 408 C TYR A 27 20.079 -11.616 -3.613 1.00 0.00 C ATOM 409 O TYR A 27 20.997 -11.114 -2.941 1.00 0.00 O ATOM 410 CB TYR A 27 20.256 -14.087 -3.130 1.00 0.00 C ATOM 411 CG TYR A 27 20.188 -15.527 -3.633 1.00 0.00 C ATOM 412 CD1 TYR A 27 21.279 -16.113 -4.284 1.00 0.00 C ATOM 413 CD2 TYR A 27 19.056 -16.305 -3.427 1.00 0.00 C ATOM 414 CE1 TYR A 27 21.239 -17.423 -4.734 1.00 0.00 C ATOM 415 CE2 TYR A 27 19.000 -17.636 -3.871 1.00 0.00 C ATOM 416 CZ TYR A 27 20.103 -18.184 -4.531 1.00 0.00 C ATOM 417 OH TYR A 27 20.083 -19.486 -4.984 1.00 0.00 O ATOM 0 H TYR A 27 22.309 -13.224 -4.321 1.00 0.00 H new ATOM 0 HA TYR A 27 19.393 -13.184 -4.912 1.00 0.00 H new ATOM 0 HB2 TYR A 27 21.167 -13.964 -2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 27 19.418 -13.912 -2.455 1.00 0.00 H new ATOM 0 HD1 TYR A 27 22.175 -15.530 -4.440 1.00 0.00 H new ATOM 0 HD2 TYR A 27 18.205 -15.879 -2.917 1.00 0.00 H new ATOM 0 HE1 TYR A 27 22.092 -17.848 -5.242 1.00 0.00 H new ATOM 0 HE2 TYR A 27 18.114 -18.230 -3.704 1.00 0.00 H new ATOM 0 HH TYR A 27 19.219 -19.894 -4.768 1.00 0.00 H new ATOM 427 N LEU A 28 18.913 -11.025 -3.836 1.00 0.00 N ATOM 428 CA LEU A 28 18.581 -9.637 -3.374 1.00 0.00 C ATOM 429 C LEU A 28 17.694 -9.537 -2.163 1.00 0.00 C ATOM 430 O LEU A 28 16.719 -10.269 -2.007 1.00 0.00 O ATOM 431 CB LEU A 28 18.012 -8.758 -4.471 1.00 0.00 C ATOM 432 CG LEU A 28 19.006 -8.073 -5.370 1.00 0.00 C ATOM 433 CD1 LEU A 28 19.901 -9.039 -6.087 1.00 0.00 C ATOM 434 CD2 LEU A 28 18.266 -7.160 -6.349 1.00 0.00 C ATOM 0 H LEU A 28 18.151 -11.477 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 28 19.562 -9.268 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.356 -9.369 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.390 -7.993 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 28 19.663 -7.469 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 28 20.597 -8.489 -6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 28 20.460 -9.626 -5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 28 19.298 -9.705 -6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 28 18.986 -6.664 -7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.580 -7.754 -6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.703 -6.410 -5.793 1.00 0.00 H new ATOM 446 N ASN A 29 18.055 -8.579 -1.335 1.00 0.00 N ATOM 447 CA ASN A 29 17.372 -8.285 -0.140 1.00 0.00 C ATOM 448 C ASN A 29 16.203 -7.295 -0.420 1.00 0.00 C ATOM 449 O ASN A 29 16.400 -6.113 -0.658 1.00 0.00 O ATOM 450 CB ASN A 29 18.368 -7.611 0.804 1.00 0.00 C ATOM 451 CG ASN A 29 17.811 -7.370 2.208 1.00 0.00 C ATOM 452 OD1 ASN A 29 16.624 -7.242 2.397 1.00 0.00 O ATOM 453 ND2 ASN A 29 18.692 -7.335 3.180 1.00 0.00 N ATOM 0 H ASN A 29 18.861 -7.977 -1.501 1.00 0.00 H new ATOM 0 HA ASN A 29 16.965 -9.199 0.293 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.262 -8.230 0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.675 -6.657 0.375 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.384 -7.195 4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 29 19.684 -7.448 2.973 1.00 0.00 H new ATOM 460 N TYR A 30 15.003 -7.859 -0.434 1.00 0.00 N ATOM 461 CA TYR A 30 13.706 -7.153 -0.536 1.00 0.00 C ATOM 462 C TYR A 30 12.865 -7.276 0.708 1.00 0.00 C ATOM 463 O TYR A 30 12.732 -8.363 1.260 1.00 0.00 O ATOM 464 CB TYR A 30 12.895 -7.667 -1.714 1.00 0.00 C ATOM 465 CG TYR A 30 13.240 -7.087 -3.053 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.477 -7.256 -3.657 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.251 -6.390 -3.746 1.00 0.00 C ATOM 468 CE1 TYR A 30 14.714 -6.722 -4.923 1.00 0.00 C ATOM 469 CE2 TYR A 30 12.478 -5.866 -4.977 1.00 0.00 C ATOM 470 CZ TYR A 30 13.703 -6.029 -5.573 1.00 0.00 C ATOM 471 OH TYR A 30 13.913 -5.499 -6.815 1.00 0.00 O ATOM 0 H TYR A 30 14.888 -8.871 -0.372 1.00 0.00 H new ATOM 0 HA TYR A 30 13.959 -6.102 -0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.015 -8.749 -1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 30 11.841 -7.472 -1.517 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.257 -7.801 -3.147 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.279 -6.264 -3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 30 15.678 -6.847 -5.394 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.696 -5.322 -5.486 1.00 0.00 H new ATOM 0 HH TYR A 30 13.098 -5.049 -7.121 1.00 0.00 H new ATOM 481 N GLU A 31 12.279 -6.160 1.135 1.00 0.00 N ATOM 482 CA GLU A 31 11.372 -6.187 2.264 1.00 0.00 C ATOM 483 C GLU A 31 9.988 -5.661 1.856 1.00 0.00 C ATOM 484 O GLU A 31 9.875 -4.608 1.265 1.00 0.00 O ATOM 485 CB GLU A 31 11.894 -5.360 3.438 1.00 0.00 C ATOM 486 CG GLU A 31 10.996 -5.432 4.666 1.00 0.00 C ATOM 487 CD GLU A 31 11.536 -4.644 5.831 1.00 0.00 C ATOM 488 OE1 GLU A 31 12.735 -4.267 5.833 1.00 0.00 O ATOM 489 OE2 GLU A 31 10.758 -4.372 6.767 1.00 0.00 O ATOM 0 H GLU A 31 12.418 -5.240 0.718 1.00 0.00 H new ATOM 0 HA GLU A 31 11.295 -7.226 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.892 -5.708 3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.991 -4.320 3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.005 -5.058 4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.876 -6.474 4.962 1.00 0.00 H new ATOM 496 N CYS A 32 8.956 -6.400 2.217 1.00 0.00 N ATOM 497 CA CYS A 32 7.563 -5.996 1.980 1.00 0.00 C ATOM 498 C CYS A 32 7.071 -5.152 3.084 1.00 0.00 C ATOM 499 O CYS A 32 7.521 -5.264 4.215 1.00 0.00 O ATOM 500 CB CYS A 32 6.535 -7.181 1.831 1.00 0.00 C ATOM 501 SG CYS A 32 6.643 -8.209 0.328 1.00 0.00 S ATOM 0 H CYS A 32 9.049 -7.302 2.685 1.00 0.00 H new ATOM 0 HA CYS A 32 7.608 -5.466 1.029 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.650 -7.836 2.695 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.530 -6.762 1.880 1.00 0.00 H new ATOM 506 N ARG A 33 6.169 -4.263 2.749 1.00 0.00 N ATOM 507 CA ARG A 33 5.473 -3.550 3.760 1.00 0.00 C ATOM 508 C ARG A 33 4.707 -4.575 4.576 1.00 0.00 C ATOM 509 O ARG A 33 4.083 -5.455 3.996 1.00 0.00 O ATOM 510 CB ARG A 33 4.515 -2.531 3.134 1.00 0.00 C ATOM 511 CG ARG A 33 5.138 -1.204 2.836 1.00 0.00 C ATOM 512 CD ARG A 33 5.488 -0.477 4.136 1.00 0.00 C ATOM 513 NE ARG A 33 6.232 0.737 3.904 1.00 0.00 N ATOM 514 CZ ARG A 33 7.517 0.850 4.097 1.00 0.00 C ATOM 515 NH1 ARG A 33 8.234 -0.224 4.409 1.00 0.00 N ATOM 516 NH2 ARG A 33 8.105 2.029 3.990 1.00 0.00 N ATOM 0 H ARG A 33 5.910 -4.026 1.791 1.00 0.00 H new ATOM 0 HA ARG A 33 6.166 -2.994 4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.114 -2.947 2.210 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.672 -2.380 3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.037 -1.343 2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.452 -0.597 2.245 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.571 -0.240 4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.071 -1.141 4.775 1.00 0.00 H new ATOM 0 HE ARG A 33 5.723 1.555 3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.779 -1.133 4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.239 -0.140 4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.554 2.855 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.110 2.113 4.142 1.00 0.00 H new ATOM 530 N PRO A 34 4.796 -4.531 5.890 1.00 0.00 N ATOM 531 CA PRO A 34 4.138 -5.528 6.762 1.00 0.00 C ATOM 532 C PRO A 34 2.612 -5.522 6.626 1.00 0.00 C ATOM 533 O PRO A 34 2.002 -4.476 6.425 1.00 0.00 O ATOM 534 CB PRO A 34 4.608 -5.113 8.184 1.00 0.00 C ATOM 535 CG PRO A 34 5.801 -4.210 7.959 1.00 0.00 C ATOM 536 CD PRO A 34 5.510 -3.502 6.674 1.00 0.00 C ATOM 0 HA PRO A 34 4.408 -6.553 6.505 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.817 -4.593 8.724 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.880 -5.985 8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.923 -3.504 8.780 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.725 -4.785 7.893 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.897 -2.615 6.831 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.423 -3.175 6.176 1.00 0.00 H new ATOM 544 N GLY A 35 2.011 -6.691 6.752 1.00 0.00 N ATOM 545 CA GLY A 35 0.574 -6.797 6.550 1.00 0.00 C ATOM 546 C GLY A 35 0.194 -6.974 5.088 1.00 0.00 C ATOM 547 O GLY A 35 -0.943 -6.728 4.687 1.00 0.00 O ATOM 0 H GLY A 35 2.482 -7.565 6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.193 -7.641 7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.090 -5.902 6.940 1.00 0.00 H new ATOM 551 N TYR A 36 1.156 -7.400 4.316 1.00 0.00 N ATOM 552 CA TYR A 36 0.978 -7.735 2.908 1.00 0.00 C ATOM 553 C TYR A 36 0.966 -9.220 2.746 1.00 0.00 C ATOM 554 O TYR A 36 1.701 -9.933 3.423 1.00 0.00 O ATOM 555 CB TYR A 36 2.020 -7.071 2.001 1.00 0.00 C ATOM 556 CG TYR A 36 1.745 -5.597 1.704 1.00 0.00 C ATOM 557 CD1 TYR A 36 1.708 -4.620 2.681 1.00 0.00 C ATOM 558 CD2 TYR A 36 1.569 -5.196 0.397 1.00 0.00 C ATOM 559 CE1 TYR A 36 1.495 -3.290 2.356 1.00 0.00 C ATOM 560 CE2 TYR A 36 1.356 -3.895 0.066 1.00 0.00 C ATOM 561 CZ TYR A 36 1.319 -2.943 1.040 1.00 0.00 C ATOM 562 OH TYR A 36 1.116 -1.618 0.707 1.00 0.00 O ATOM 0 H TYR A 36 2.112 -7.531 4.645 1.00 0.00 H new ATOM 0 HA TYR A 36 0.017 -7.334 2.587 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.001 -7.159 2.469 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.066 -7.617 1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.847 -4.898 3.715 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.601 -5.938 -0.387 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.468 -2.536 3.129 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.216 -3.616 -0.968 1.00 0.00 H new ATOM 0 HH TYR A 36 0.181 -1.378 0.876 1.00 0.00 H new ATOM 572 N SER A 37 0.083 -9.677 1.891 1.00 0.00 N ATOM 573 CA SER A 37 -0.181 -11.103 1.718 1.00 0.00 C ATOM 574 C SER A 37 1.059 -11.857 1.278 1.00 0.00 C ATOM 575 O SER A 37 1.313 -12.969 1.748 1.00 0.00 O ATOM 576 CB SER A 37 -1.289 -11.310 0.688 1.00 0.00 C ATOM 577 OG SER A 37 -2.449 -10.568 1.017 1.00 0.00 O ATOM 0 H SER A 37 -0.480 -9.076 1.289 1.00 0.00 H new ATOM 0 HA SER A 37 -0.493 -11.496 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.932 -11.011 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.538 -12.369 0.628 1.00 0.00 H new ATOM 0 HG SER A 37 -3.139 -10.721 0.338 1.00 0.00 H new ATOM 583 N GLY A 38 1.808 -11.293 0.363 1.00 0.00 N ATOM 584 CA GLY A 38 2.979 -11.962 -0.133 1.00 0.00 C ATOM 585 C GLY A 38 4.115 -11.987 0.867 1.00 0.00 C ATOM 586 O GLY A 38 4.356 -11.009 1.584 1.00 0.00 O ATOM 0 H GLY A 38 1.627 -10.378 -0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.719 -12.985 -0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.315 -11.467 -1.044 1.00 0.00 H new ATOM 590 N ARG A 39 4.825 -13.107 0.910 1.00 0.00 N ATOM 591 CA ARG A 39 5.986 -13.271 1.772 1.00 0.00 C ATOM 592 C ARG A 39 7.242 -12.889 1.024 1.00 0.00 C ATOM 593 O ARG A 39 7.460 -13.339 -0.127 1.00 0.00 O ATOM 594 CB ARG A 39 6.091 -14.714 2.239 1.00 0.00 C ATOM 595 CG ARG A 39 5.256 -15.026 3.457 1.00 0.00 C ATOM 596 CD ARG A 39 5.825 -14.362 4.701 1.00 0.00 C ATOM 597 NE ARG A 39 6.199 -15.351 5.713 1.00 0.00 N ATOM 598 CZ ARG A 39 7.209 -15.211 6.588 1.00 0.00 C ATOM 599 NH1 ARG A 39 7.947 -14.103 6.594 1.00 0.00 N ATOM 600 NH2 ARG A 39 7.475 -16.189 7.445 1.00 0.00 N ATOM 0 H ARG A 39 4.610 -13.929 0.346 1.00 0.00 H new ATOM 0 HA ARG A 39 5.872 -12.622 2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.788 -15.372 1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.135 -14.939 2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.233 -14.686 3.296 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.214 -16.105 3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.698 -13.768 4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.088 -13.675 5.117 1.00 0.00 H new ATOM 0 HE ARG A 39 5.652 -16.211 5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.747 -13.354 5.932 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.712 -14.004 7.261 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.914 -17.041 7.437 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.240 -16.089 8.112 1.00 0.00 H new ATOM 614 N PRO A 40 8.078 -12.031 1.612 1.00 0.00 N ATOM 615 CA PRO A 40 9.321 -11.616 0.993 1.00 0.00 C ATOM 616 C PRO A 40 10.280 -12.773 0.751 1.00 0.00 C ATOM 617 O PRO A 40 10.364 -13.718 1.523 1.00 0.00 O ATOM 618 CB PRO A 40 9.931 -10.644 1.994 1.00 0.00 C ATOM 619 CG PRO A 40 8.800 -10.256 2.908 1.00 0.00 C ATOM 620 CD PRO A 40 7.839 -11.390 2.911 1.00 0.00 C ATOM 0 HA PRO A 40 9.137 -11.182 0.010 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.744 -11.110 2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.348 -9.771 1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.168 -10.059 3.915 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.318 -9.342 2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.025 -12.074 3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.809 -11.046 3.008 1.00 0.00 H new ATOM 628 N PHE A 41 10.978 -12.688 -0.362 1.00 0.00 N ATOM 629 CA PHE A 41 12.037 -13.592 -0.720 1.00 0.00 C ATOM 630 C PHE A 41 12.998 -12.945 -1.689 1.00 0.00 C ATOM 631 O PHE A 41 12.625 -11.977 -2.373 1.00 0.00 O ATOM 632 CB PHE A 41 11.542 -14.962 -1.220 1.00 0.00 C ATOM 633 CG PHE A 41 10.659 -14.924 -2.428 1.00 0.00 C ATOM 634 CD1 PHE A 41 11.188 -14.949 -3.706 1.00 0.00 C ATOM 635 CD2 PHE A 41 9.288 -14.879 -2.272 1.00 0.00 C ATOM 636 CE1 PHE A 41 10.351 -14.930 -4.813 1.00 0.00 C ATOM 637 CE2 PHE A 41 8.455 -14.858 -3.362 1.00 0.00 C ATOM 638 CZ PHE A 41 8.985 -14.884 -4.633 1.00 0.00 C ATOM 0 H PHE A 41 10.814 -11.963 -1.061 1.00 0.00 H new ATOM 0 HA PHE A 41 12.579 -13.807 0.201 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.409 -15.583 -1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.001 -15.451 -0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 41 12.259 -14.984 -3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.865 -14.860 -1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.767 -14.951 -5.809 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.385 -14.821 -3.223 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.329 -14.868 -5.491 1.00 0.00 H new ATOM 648 N SER A 42 14.201 -13.445 -1.761 1.00 0.00 N ATOM 649 CA SER A 42 15.184 -12.856 -2.638 1.00 0.00 C ATOM 650 C SER A 42 14.919 -13.185 -4.126 1.00 0.00 C ATOM 651 O SER A 42 14.445 -14.267 -4.462 1.00 0.00 O ATOM 652 CB SER A 42 16.603 -13.255 -2.222 1.00 0.00 C ATOM 653 OG SER A 42 16.856 -12.827 -0.890 1.00 0.00 O ATOM 0 H SER A 42 14.526 -14.252 -1.229 1.00 0.00 H new ATOM 0 HA SER A 42 15.093 -11.775 -2.537 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.722 -14.336 -2.294 1.00 0.00 H new ATOM 0 HB3 SER A 42 17.329 -12.808 -2.901 1.00 0.00 H new ATOM 0 HG SER A 42 16.888 -11.848 -0.861 1.00 0.00 H new ATOM 659 N ILE A 43 15.276 -12.254 -4.980 1.00 0.00 N ATOM 660 CA ILE A 43 15.212 -12.434 -6.418 1.00 0.00 C ATOM 661 C ILE A 43 16.631 -12.684 -6.975 1.00 0.00 C ATOM 662 O ILE A 43 17.590 -12.060 -6.524 1.00 0.00 O ATOM 663 CB ILE A 43 14.536 -11.230 -7.123 1.00 0.00 C ATOM 664 CG1 ILE A 43 15.302 -9.928 -6.846 1.00 0.00 C ATOM 665 CG2 ILE A 43 13.079 -11.109 -6.674 1.00 0.00 C ATOM 666 CD1 ILE A 43 14.795 -8.755 -7.663 1.00 0.00 C ATOM 0 H ILE A 43 15.624 -11.338 -4.696 1.00 0.00 H new ATOM 0 HA ILE A 43 14.591 -13.305 -6.626 1.00 0.00 H new ATOM 0 HB ILE A 43 14.557 -11.404 -8.199 1.00 0.00 H new ATOM 0 HG12 ILE A 43 15.224 -9.686 -5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 43 16.359 -10.083 -7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.613 -10.260 -7.175 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.542 -12.022 -6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.042 -10.958 -5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.377 -7.865 -7.422 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.898 -8.979 -8.725 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.745 -8.576 -7.430 1.00 0.00 H new ATOM 678 N ILE A 44 16.746 -13.690 -7.831 1.00 0.00 N ATOM 679 CA ILE A 44 18.042 -14.114 -8.418 1.00 0.00 C ATOM 680 C ILE A 44 17.887 -14.102 -9.978 1.00 0.00 C ATOM 681 O ILE A 44 16.825 -14.526 -10.446 1.00 0.00 O ATOM 682 CB ILE A 44 18.420 -15.547 -7.967 1.00 0.00 C ATOM 683 CG1 ILE A 44 18.060 -15.776 -6.511 1.00 0.00 C ATOM 684 CG2 ILE A 44 19.926 -15.723 -8.124 1.00 0.00 C ATOM 685 CD1 ILE A 44 16.653 -16.338 -6.311 1.00 0.00 C ATOM 0 H ILE A 44 15.952 -14.246 -8.148 1.00 0.00 H new ATOM 0 HA ILE A 44 18.826 -13.434 -8.086 1.00 0.00 H new ATOM 0 HB ILE A 44 17.871 -16.261 -8.580 1.00 0.00 H new ATOM 0 HG12 ILE A 44 18.783 -16.463 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 44 18.146 -14.833 -5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 44 20.210 -16.728 -7.810 1.00 0.00 H new ATOM 0 HG22 ILE A 44 20.202 -15.577 -9.168 1.00 0.00 H new ATOM 0 HG23 ILE A 44 20.444 -14.990 -7.506 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.464 -16.476 -5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.921 -15.642 -6.722 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.568 -17.297 -6.822 1.00 0.00 H new ATOM 697 N CYS A 45 18.864 -13.510 -10.772 1.00 0.00 N ATOM 698 CA CYS A 45 18.717 -13.422 -12.308 1.00 0.00 C ATOM 699 C CYS A 45 18.491 -14.816 -13.010 1.00 0.00 C ATOM 700 O CYS A 45 18.927 -15.004 -14.149 1.00 0.00 O ATOM 701 CB CYS A 45 19.940 -12.892 -13.084 1.00 0.00 C ATOM 702 SG CYS A 45 20.958 -11.478 -12.565 1.00 0.00 S ATOM 0 H CYS A 45 19.725 -13.102 -10.407 1.00 0.00 H new ATOM 0 HA CYS A 45 17.868 -12.741 -12.360 1.00 0.00 H new ATOM 0 HB2 CYS A 45 20.623 -13.735 -13.182 1.00 0.00 H new ATOM 0 HB3 CYS A 45 19.582 -12.654 -14.085 1.00 0.00 H new ATOM 707 N LEU A 46 17.839 -15.722 -12.359 1.00 0.00 N ATOM 708 CA LEU A 46 17.779 -17.108 -12.805 1.00 0.00 C ATOM 709 C LEU A 46 17.085 -17.278 -14.138 1.00 0.00 C ATOM 710 O LEU A 46 17.542 -18.028 -15.002 1.00 0.00 O ATOM 711 CB LEU A 46 16.984 -17.903 -11.795 1.00 0.00 C ATOM 712 CG LEU A 46 17.635 -18.050 -10.470 1.00 0.00 C ATOM 713 CD1 LEU A 46 16.685 -18.660 -9.453 1.00 0.00 C ATOM 714 CD2 LEU A 46 18.928 -18.810 -10.567 1.00 0.00 C ATOM 0 H LEU A 46 17.325 -15.539 -11.497 1.00 0.00 H new ATOM 0 HA LEU A 46 18.809 -17.449 -12.906 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.015 -17.424 -11.657 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.793 -18.896 -12.203 1.00 0.00 H new ATOM 0 HG LEU A 46 17.887 -17.051 -10.114 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.192 -18.755 -8.493 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.811 -18.018 -9.341 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.369 -19.646 -9.795 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.374 -18.897 -9.576 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.736 -19.806 -10.967 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.613 -18.280 -11.228 1.00 0.00 H new ATOM 726 N LYS A 47 15.987 -16.579 -14.309 1.00 0.00 N ATOM 727 CA LYS A 47 15.188 -16.720 -15.491 1.00 0.00 C ATOM 728 C LYS A 47 15.477 -15.676 -16.496 1.00 0.00 C ATOM 729 O LYS A 47 15.269 -14.482 -16.252 1.00 0.00 O ATOM 730 CB LYS A 47 13.719 -16.729 -15.109 1.00 0.00 C ATOM 731 CG LYS A 47 12.770 -16.731 -16.284 1.00 0.00 C ATOM 732 CD LYS A 47 13.075 -17.853 -17.272 1.00 0.00 C ATOM 733 CE LYS A 47 12.955 -19.226 -16.659 1.00 0.00 C ATOM 734 NZ LYS A 47 13.006 -20.288 -17.696 1.00 0.00 N ATOM 0 H LYS A 47 15.629 -15.903 -13.634 1.00 0.00 H new ATOM 0 HA LYS A 47 15.443 -17.669 -15.962 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.521 -17.608 -14.496 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.511 -15.856 -14.491 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.747 -16.836 -15.922 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.829 -15.771 -16.798 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.394 -17.779 -18.120 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.084 -17.722 -17.662 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.761 -19.377 -15.941 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.018 -19.299 -16.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.921 -21.220 -17.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.222 -20.156 -18.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.911 -20.232 -18.206 1.00 0.00 H new ATOM 748 N ASN A 48 15.950 -16.149 -17.651 1.00 0.00 N ATOM 749 CA ASN A 48 16.292 -15.294 -18.800 1.00 0.00 C ATOM 750 C ASN A 48 17.289 -14.243 -18.358 1.00 0.00 C ATOM 751 O ASN A 48 17.303 -13.135 -18.869 1.00 0.00 O ATOM 752 CB ASN A 48 15.036 -14.652 -19.408 1.00 0.00 C ATOM 753 CG ASN A 48 14.159 -15.656 -20.142 1.00 0.00 C ATOM 754 OD1 ASN A 48 14.633 -16.708 -20.568 1.00 0.00 O ATOM 755 ND2 ASN A 48 12.866 -15.355 -20.266 1.00 0.00 N ATOM 0 H ASN A 48 16.109 -17.142 -17.821 1.00 0.00 H new ATOM 0 HA ASN A 48 16.744 -15.907 -19.580 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.455 -14.179 -18.616 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.334 -13.863 -20.099 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.232 -16.008 -20.727 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.510 -14.472 -19.899 1.00 0.00 H new ATOM 762 N SER A 49 18.145 -14.629 -17.410 1.00 0.00 N ATOM 763 CA SER A 49 19.144 -13.753 -16.847 1.00 0.00 C ATOM 764 C SER A 49 18.500 -12.489 -16.252 1.00 0.00 C ATOM 765 O SER A 49 19.185 -11.514 -16.025 1.00 0.00 O ATOM 766 CB SER A 49 20.189 -13.382 -17.931 1.00 0.00 C ATOM 767 OG SER A 49 20.495 -14.516 -18.751 1.00 0.00 O ATOM 0 H SER A 49 18.155 -15.570 -17.016 1.00 0.00 H new ATOM 0 HA SER A 49 19.649 -14.277 -16.036 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.805 -12.572 -18.551 1.00 0.00 H new ATOM 0 HB3 SER A 49 21.099 -13.015 -17.455 1.00 0.00 H new ATOM 0 HG SER A 49 21.155 -14.261 -19.429 1.00 0.00 H new ATOM 773 N VAL A 50 17.193 -12.527 -15.962 1.00 0.00 N ATOM 774 CA VAL A 50 16.535 -11.369 -15.380 1.00 0.00 C ATOM 775 C VAL A 50 16.301 -11.619 -13.909 1.00 0.00 C ATOM 776 O VAL A 50 17.126 -11.324 -13.105 1.00 0.00 O ATOM 777 CB VAL A 50 15.184 -11.033 -16.107 1.00 0.00 C ATOM 778 CG1 VAL A 50 14.517 -9.811 -15.464 1.00 0.00 C ATOM 779 CG2 VAL A 50 15.410 -10.789 -17.595 1.00 0.00 C ATOM 0 H VAL A 50 16.588 -13.333 -16.120 1.00 0.00 H new ATOM 0 HA VAL A 50 17.185 -10.504 -15.508 1.00 0.00 H new ATOM 0 HB VAL A 50 14.521 -11.892 -15.999 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.582 -9.593 -15.981 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.311 -10.019 -14.414 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.183 -8.951 -15.540 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.459 -10.558 -18.075 1.00 0.00 H new ATOM 0 HG22 VAL A 50 16.095 -9.951 -17.726 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.838 -11.683 -18.049 1.00 0.00 H new ATOM 789 N TRP A 51 15.194 -12.228 -13.560 1.00 0.00 N ATOM 790 CA TRP A 51 14.929 -12.523 -12.159 1.00 0.00 C ATOM 791 C TRP A 51 14.048 -13.750 -12.005 1.00 0.00 C ATOM 792 O TRP A 51 13.395 -14.159 -12.952 1.00 0.00 O ATOM 793 CB TRP A 51 14.311 -11.311 -11.414 1.00 0.00 C ATOM 794 CG TRP A 51 15.243 -10.119 -11.310 1.00 0.00 C ATOM 795 CD1 TRP A 51 15.180 -8.959 -12.015 1.00 0.00 C ATOM 796 CD2 TRP A 51 16.404 -10.009 -10.490 1.00 0.00 C ATOM 797 NE1 TRP A 51 16.239 -8.134 -11.663 1.00 0.00 N ATOM 798 CE2 TRP A 51 16.984 -8.755 -10.720 1.00 0.00 C ATOM 799 CE3 TRP A 51 16.995 -10.843 -9.569 1.00 0.00 C ATOM 800 CZ2 TRP A 51 18.127 -8.322 -10.061 1.00 0.00 C ATOM 801 CZ3 TRP A 51 18.135 -10.420 -8.913 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.686 -9.174 -9.163 1.00 0.00 C ATOM 0 H TRP A 51 14.467 -12.528 -14.210 1.00 0.00 H new ATOM 0 HA TRP A 51 15.894 -12.736 -11.698 1.00 0.00 H new ATOM 0 HB2 TRP A 51 13.400 -11.005 -11.929 1.00 0.00 H new ATOM 0 HB3 TRP A 51 14.020 -11.622 -10.411 1.00 0.00 H new ATOM 0 HD1 TRP A 51 14.419 -8.715 -12.741 1.00 0.00 H new ATOM 0 HE1 TRP A 51 16.425 -7.210 -12.052 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.573 -11.815 -9.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 18.554 -7.349 -10.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.605 -11.073 -8.192 1.00 0.00 H new ATOM 0 HH2 TRP A 51 19.578 -8.874 -8.633 1.00 0.00 H new ATOM 813 N THR A 52 14.081 -14.360 -10.826 1.00 0.00 N ATOM 814 CA THR A 52 13.246 -15.524 -10.506 1.00 0.00 C ATOM 815 C THR A 52 11.740 -15.202 -10.546 1.00 0.00 C ATOM 816 O THR A 52 10.951 -15.978 -11.093 1.00 0.00 O ATOM 817 CB THR A 52 13.666 -16.132 -9.153 1.00 0.00 C ATOM 818 OG1 THR A 52 13.192 -17.469 -9.028 1.00 0.00 O ATOM 819 CG2 THR A 52 13.194 -15.294 -7.981 1.00 0.00 C ATOM 0 H THR A 52 14.687 -14.065 -10.060 1.00 0.00 H new ATOM 0 HA THR A 52 13.413 -16.269 -11.283 1.00 0.00 H new ATOM 0 HB THR A 52 14.756 -16.142 -9.133 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.471 -17.836 -8.163 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.512 -15.760 -7.049 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.623 -14.295 -8.052 1.00 0.00 H new ATOM 0 HG23 THR A 52 12.106 -15.224 -7.999 1.00 0.00 H new ATOM 827 N GLY A 53 11.359 -14.069 -9.962 1.00 0.00 N ATOM 828 CA GLY A 53 9.976 -13.644 -9.976 1.00 0.00 C ATOM 829 C GLY A 53 9.742 -12.444 -9.055 1.00 0.00 C ATOM 830 O GLY A 53 9.338 -12.593 -7.901 1.00 0.00 O ATOM 0 H GLY A 53 11.993 -13.435 -9.476 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.686 -13.383 -10.994 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.338 -14.471 -9.665 1.00 0.00 H new ATOM 834 N ALA A 54 10.022 -11.257 -9.572 1.00 0.00 N ATOM 835 CA ALA A 54 9.879 -10.000 -8.811 1.00 0.00 C ATOM 836 C ALA A 54 8.465 -9.358 -8.925 1.00 0.00 C ATOM 837 O ALA A 54 8.200 -8.360 -8.263 1.00 0.00 O ATOM 838 CB ALA A 54 10.940 -9.032 -9.264 1.00 0.00 C ATOM 0 H ALA A 54 10.355 -11.126 -10.527 1.00 0.00 H new ATOM 0 HA ALA A 54 10.006 -10.242 -7.756 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.843 -8.100 -8.708 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.925 -9.462 -9.084 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.820 -8.833 -10.329 1.00 0.00 H new ATOM 844 N LYS A 55 7.599 -9.882 -9.766 1.00 0.00 N ATOM 845 CA LYS A 55 6.274 -9.307 -9.977 1.00 0.00 C ATOM 846 C LYS A 55 5.212 -9.681 -8.910 1.00 0.00 C ATOM 847 O LYS A 55 5.104 -10.834 -8.496 1.00 0.00 O ATOM 848 CB LYS A 55 5.818 -9.700 -11.377 1.00 0.00 C ATOM 849 CG LYS A 55 4.419 -9.306 -11.704 1.00 0.00 C ATOM 850 CD LYS A 55 4.224 -7.826 -11.756 1.00 0.00 C ATOM 851 CE LYS A 55 2.795 -7.556 -12.035 1.00 0.00 C ATOM 852 NZ LYS A 55 2.480 -6.110 -12.060 1.00 0.00 N ATOM 0 H LYS A 55 7.786 -10.715 -10.324 1.00 0.00 H new ATOM 0 HA LYS A 55 6.366 -8.226 -9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.490 -9.246 -12.105 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.913 -10.780 -11.487 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.142 -9.737 -12.666 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.745 -9.729 -10.959 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.519 -7.370 -10.811 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.852 -7.387 -12.531 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.527 -7.999 -12.994 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.183 -8.044 -11.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.468 -5.979 -12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.709 -5.689 -11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.042 -5.645 -12.801 1.00 0.00 H new ATOM 866 N ASP A 56 4.424 -8.628 -8.462 1.00 0.00 N ATOM 867 CA ASP A 56 3.245 -8.809 -7.539 1.00 0.00 C ATOM 868 C ASP A 56 3.640 -9.438 -6.206 1.00 0.00 C ATOM 869 O ASP A 56 2.906 -10.253 -5.627 1.00 0.00 O ATOM 870 CB ASP A 56 2.113 -9.623 -8.206 1.00 0.00 C ATOM 871 CG ASP A 56 1.389 -8.874 -9.296 1.00 0.00 C ATOM 872 OD1 ASP A 56 1.549 -7.626 -9.364 1.00 0.00 O ATOM 873 OD2 ASP A 56 0.687 -9.519 -10.113 1.00 0.00 O ATOM 0 H ASP A 56 4.589 -7.657 -8.727 1.00 0.00 H new ATOM 0 HA ASP A 56 2.868 -7.808 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.533 -10.538 -8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.394 -9.921 -7.443 1.00 0.00 H new ATOM 878 N ARG A 57 4.794 -9.057 -5.728 1.00 0.00 N ATOM 879 CA ARG A 57 5.398 -9.681 -4.601 1.00 0.00 C ATOM 880 C ARG A 57 4.602 -9.516 -3.306 1.00 0.00 C ATOM 881 O ARG A 57 4.474 -10.463 -2.533 1.00 0.00 O ATOM 882 CB ARG A 57 6.731 -9.056 -4.358 1.00 0.00 C ATOM 883 CG ARG A 57 7.723 -9.302 -5.464 1.00 0.00 C ATOM 884 CD ARG A 57 8.004 -10.765 -5.607 1.00 0.00 C ATOM 885 NE ARG A 57 8.496 -11.344 -4.381 1.00 0.00 N ATOM 886 CZ ARG A 57 9.754 -11.300 -3.975 1.00 0.00 C ATOM 887 NH1 ARG A 57 10.661 -10.640 -4.662 1.00 0.00 N ATOM 888 NH2 ARG A 57 10.083 -11.895 -2.861 1.00 0.00 N ATOM 0 H ARG A 57 5.342 -8.293 -6.122 1.00 0.00 H new ATOM 0 HA ARG A 57 5.455 -10.743 -4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.601 -7.981 -4.230 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.139 -9.441 -3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.334 -8.908 -6.403 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.649 -8.768 -5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.093 -11.281 -5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.737 -10.917 -6.399 1.00 0.00 H new ATOM 0 HE ARG A 57 7.823 -11.823 -3.782 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.398 -10.154 -5.519 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.628 -10.614 -4.337 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.374 -12.385 -2.316 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.049 -11.870 -2.535 1.00 0.00 H new ATOM 902 N CYS A 58 4.061 -8.352 -3.073 1.00 0.00 N ATOM 903 CA CYS A 58 3.398 -8.082 -1.800 1.00 0.00 C ATOM 904 C CYS A 58 1.979 -7.632 -2.154 1.00 0.00 C ATOM 905 O CYS A 58 1.777 -7.009 -3.204 1.00 0.00 O ATOM 906 CB CYS A 58 4.084 -6.893 -1.118 1.00 0.00 C ATOM 907 SG CYS A 58 5.957 -6.902 -1.047 1.00 0.00 S ATOM 0 H CYS A 58 4.059 -7.574 -3.732 1.00 0.00 H new ATOM 0 HA CYS A 58 3.424 -8.956 -1.150 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.771 -5.984 -1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.709 -6.828 -0.097 1.00 0.00 H new ATOM 912 N ARG A 59 1.005 -7.919 -1.324 1.00 0.00 N ATOM 913 CA ARG A 59 -0.327 -7.558 -1.721 1.00 0.00 C ATOM 914 C ARG A 59 -1.072 -6.775 -0.601 1.00 0.00 C ATOM 915 O ARG A 59 -1.039 -7.142 0.567 1.00 0.00 O ATOM 916 CB ARG A 59 -1.046 -8.834 -2.124 1.00 0.00 C ATOM 917 CG ARG A 59 -0.339 -9.507 -3.334 1.00 0.00 C ATOM 918 CD ARG A 59 -0.955 -10.821 -3.714 1.00 0.00 C ATOM 919 NE ARG A 59 -2.323 -10.708 -4.243 1.00 0.00 N ATOM 920 CZ ARG A 59 -2.617 -10.513 -5.521 1.00 0.00 C ATOM 921 NH1 ARG A 59 -1.638 -10.443 -6.416 1.00 0.00 N ATOM 922 NH2 ARG A 59 -3.886 -10.394 -5.898 1.00 0.00 N ATOM 0 H ARG A 59 1.101 -8.377 -0.418 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.299 -6.875 -2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.071 -9.525 -1.281 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.081 -8.608 -2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.376 -8.833 -4.190 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.713 -9.661 -3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.326 -11.303 -4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.967 -11.472 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.097 -10.785 -3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.667 -10.539 -6.118 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.857 -10.293 -7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.632 -10.453 -5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.114 -10.244 -6.881 1.00 0.00 H new ATOM 936 N ARG A 60 -1.759 -5.749 -1.019 1.00 0.00 N ATOM 937 CA ARG A 60 -2.486 -4.758 -0.180 1.00 0.00 C ATOM 938 C ARG A 60 -3.941 -5.232 -0.031 1.00 0.00 C ATOM 939 O ARG A 60 -4.439 -5.993 -0.892 1.00 0.00 O ATOM 940 CB ARG A 60 -2.360 -3.496 -1.004 1.00 0.00 C ATOM 941 CG ARG A 60 -3.438 -3.383 -2.037 1.00 0.00 C ATOM 942 CD ARG A 60 -3.048 -2.447 -3.141 1.00 0.00 C ATOM 943 NE ARG A 60 -2.749 -1.080 -2.847 1.00 0.00 N ATOM 944 CZ ARG A 60 -3.538 -0.082 -3.203 1.00 0.00 C ATOM 945 NH1 ARG A 60 -4.808 -0.318 -3.538 1.00 0.00 N ATOM 946 NH2 ARG A 60 -3.072 1.158 -3.228 1.00 0.00 N ATOM 0 H ARG A 60 -1.850 -5.544 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.111 -4.618 0.834 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.399 -2.629 -0.345 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.387 -3.480 -1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.650 -4.368 -2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.357 -3.031 -1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.173 -2.872 -3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.857 -2.452 -3.871 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.890 -0.866 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.172 -1.271 -3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.415 0.454 -3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.102 1.344 -2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.683 1.927 -3.503 1.00 0.00 H new ATOM 960 N LYS A 61 -4.620 -4.823 1.027 1.00 0.00 N ATOM 961 CA LYS A 61 -5.954 -5.331 1.283 1.00 0.00 C ATOM 962 C LYS A 61 -7.120 -4.418 1.101 1.00 0.00 C ATOM 963 O LYS A 61 -7.018 -3.179 1.171 1.00 0.00 O ATOM 964 CB LYS A 61 -6.102 -6.143 2.542 1.00 0.00 C ATOM 965 CG LYS A 61 -5.533 -7.523 2.394 1.00 0.00 C ATOM 966 CD LYS A 61 -5.669 -8.315 3.651 1.00 0.00 C ATOM 967 CE LYS A 61 -7.124 -8.631 3.885 1.00 0.00 C ATOM 968 NZ LYS A 61 -7.301 -9.612 4.989 1.00 0.00 N ATOM 0 H LYS A 61 -4.275 -4.151 1.712 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.018 -6.004 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.601 -5.631 3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.157 -6.213 2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.042 -8.041 1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.480 -7.455 2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.092 -9.237 3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.267 -7.753 4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.662 -7.714 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.562 -9.029 2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.314 -9.806 5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.808 -10.496 4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.905 -9.221 5.868 1.00 0.00 H new ATOM 982 N SER A 62 -8.256 -5.068 0.800 1.00 0.00 N ATOM 983 CA SER A 62 -9.525 -4.426 0.574 1.00 0.00 C ATOM 984 C SER A 62 -9.999 -3.737 1.849 1.00 0.00 C ATOM 985 O SER A 62 -10.031 -4.332 2.924 1.00 0.00 O ATOM 986 CB SER A 62 -10.533 -5.530 0.195 1.00 0.00 C ATOM 987 OG SER A 62 -11.838 -5.018 0.000 1.00 0.00 O ATOM 0 H SER A 62 -8.299 -6.083 0.709 1.00 0.00 H new ATOM 0 HA SER A 62 -9.437 -3.678 -0.214 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.200 -6.027 -0.716 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.554 -6.285 0.981 1.00 0.00 H new ATOM 0 HG SER A 62 -12.444 -5.750 -0.240 1.00 0.00 H new ATOM 993 N CYS A 63 -10.488 -2.526 1.680 1.00 0.00 N ATOM 994 CA CYS A 63 -10.921 -1.661 2.781 1.00 0.00 C ATOM 995 C CYS A 63 -12.456 -1.670 2.836 1.00 0.00 C ATOM 996 O CYS A 63 -13.096 -2.146 1.887 1.00 0.00 O ATOM 997 CB CYS A 63 -10.384 -0.243 2.469 1.00 0.00 C ATOM 998 SG CYS A 63 -8.537 -0.111 2.518 1.00 0.00 S ATOM 0 H CYS A 63 -10.602 -2.099 0.761 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.545 -1.998 3.747 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.734 0.058 1.481 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.808 0.461 3.185 1.00 0.00 H new ATOM 1003 N ARG A 64 -13.052 -1.231 3.958 1.00 0.00 N ATOM 1004 CA ARG A 64 -14.506 -1.181 4.040 1.00 0.00 C ATOM 1005 C ARG A 64 -14.919 0.071 4.794 1.00 0.00 C ATOM 1006 O ARG A 64 -14.171 0.556 5.644 1.00 0.00 O ATOM 1007 CB ARG A 64 -15.074 -2.463 4.739 1.00 0.00 C ATOM 1008 CG ARG A 64 -14.735 -2.639 6.230 1.00 0.00 C ATOM 1009 CD ARG A 64 -13.274 -2.970 6.444 1.00 0.00 C ATOM 1010 NE ARG A 64 -12.925 -4.277 5.846 1.00 0.00 N ATOM 1011 CZ ARG A 64 -11.695 -4.771 5.778 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -10.683 -4.106 6.295 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -11.487 -5.951 5.199 1.00 0.00 N ATOM 0 H ARG A 64 -12.559 -0.916 4.794 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.919 -1.149 3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -16.159 -2.456 4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.707 -3.336 4.200 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.982 -1.724 6.768 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -15.352 -3.433 6.651 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.654 -2.189 6.004 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.055 -2.986 7.512 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.683 -4.838 5.458 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.843 -3.207 6.750 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.739 -4.490 6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.272 -6.473 4.809 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.543 -6.333 5.145 1.00 0.00 H new ATOM 1027 N ASN A 65 -16.100 0.608 4.497 1.00 0.00 N ATOM 1028 CA ASN A 65 -16.564 1.822 5.155 1.00 0.00 C ATOM 1029 C ASN A 65 -18.015 1.709 5.714 1.00 0.00 C ATOM 1030 O ASN A 65 -18.787 2.636 5.549 1.00 0.00 O ATOM 1031 CB ASN A 65 -16.485 2.981 4.165 1.00 0.00 C ATOM 1032 CG ASN A 65 -16.373 4.306 4.847 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -15.176 4.753 5.015 1.00 0.00 O flip ATOM 1034 ND2 ASN A 65 -17.374 4.921 5.224 1.00 0.00 N flip ATOM 0 H ASN A 65 -16.748 0.223 3.809 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.915 1.992 6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.625 2.838 3.511 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -17.372 2.975 3.531 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.302 4.528 5.069 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.273 5.823 5.690 1.00 0.00 H new ATOM 1041 N PRO A 66 -18.415 0.583 6.365 1.00 0.00 N ATOM 1042 CA PRO A 66 -19.717 0.527 7.031 1.00 0.00 C ATOM 1043 C PRO A 66 -19.789 1.299 8.398 1.00 0.00 C ATOM 1044 O PRO A 66 -20.910 1.489 8.901 1.00 0.00 O ATOM 1045 CB PRO A 66 -19.996 -0.962 7.218 1.00 0.00 C ATOM 1046 CG PRO A 66 -18.666 -1.624 7.187 1.00 0.00 C ATOM 1047 CD PRO A 66 -17.707 -0.705 6.446 1.00 0.00 C ATOM 0 HA PRO A 66 -20.466 1.033 6.422 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.506 -1.150 8.163 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.642 -1.342 6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -18.309 -1.812 8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -18.732 -2.591 6.687 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -16.762 -0.605 6.980 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.474 -1.092 5.454 1.00 0.00 H new ATOM 1055 N PRO A 67 -18.617 1.741 9.077 1.00 0.00 N ATOM 1056 CA PRO A 67 -18.724 2.566 10.289 1.00 0.00 C ATOM 1057 C PRO A 67 -19.455 3.856 9.949 1.00 0.00 C ATOM 1058 O PRO A 67 -20.176 4.400 10.766 1.00 0.00 O ATOM 1059 CB PRO A 67 -17.265 2.919 10.643 1.00 0.00 C ATOM 1060 CG PRO A 67 -16.418 2.357 9.521 1.00 0.00 C ATOM 1061 CD PRO A 67 -17.241 1.313 8.850 1.00 0.00 C ATOM 0 HA PRO A 67 -19.254 2.058 11.095 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -17.134 3.998 10.729 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -16.980 2.486 11.602 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.137 3.141 8.817 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -15.493 1.931 9.910 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -17.014 1.250 7.786 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -17.056 0.326 9.274 1.00 0.00 H new ATOM 1069 N ASP A 68 -19.295 4.289 8.678 1.00 0.00 N ATOM 1070 CA ASP A 68 -20.063 5.394 8.074 1.00 0.00 C ATOM 1071 C ASP A 68 -20.016 6.758 8.845 1.00 0.00 C ATOM 1072 O ASP A 68 -19.751 6.830 10.028 1.00 0.00 O ATOM 1073 CB ASP A 68 -21.512 4.870 7.809 1.00 0.00 C ATOM 1074 CG ASP A 68 -22.624 5.893 7.688 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -22.841 6.419 6.577 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -23.341 6.120 8.704 1.00 0.00 O ATOM 0 H ASP A 68 -18.619 3.873 8.037 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.581 5.669 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -21.493 4.286 6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -21.773 4.186 8.616 1.00 0.00 H new ATOM 1081 N PRO A 69 -20.195 7.872 8.094 1.00 0.00 N ATOM 1082 CA PRO A 69 -20.294 9.245 8.628 1.00 0.00 C ATOM 1083 C PRO A 69 -21.551 9.389 9.463 1.00 0.00 C ATOM 1084 O PRO A 69 -22.499 8.666 9.259 1.00 0.00 O ATOM 1085 CB PRO A 69 -20.425 10.140 7.412 1.00 0.00 C ATOM 1086 CG PRO A 69 -20.119 9.288 6.237 1.00 0.00 C ATOM 1087 CD PRO A 69 -20.261 7.867 6.629 1.00 0.00 C ATOM 0 HA PRO A 69 -19.434 9.493 9.250 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.430 10.555 7.341 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -19.736 10.982 7.472 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -20.795 9.522 5.415 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.107 9.483 5.883 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.206 7.453 6.277 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -19.466 7.257 6.200 1.00 0.00 H new ATOM 1095 N VAL A 70 -21.574 10.324 10.399 1.00 0.00 N ATOM 1096 CA VAL A 70 -22.697 10.408 11.321 1.00 0.00 C ATOM 1097 C VAL A 70 -24.009 10.657 10.534 1.00 0.00 C ATOM 1098 O VAL A 70 -25.017 10.009 10.797 1.00 0.00 O ATOM 1099 CB VAL A 70 -22.508 11.605 12.296 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -23.742 11.801 13.161 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -21.260 11.455 13.137 1.00 0.00 C ATOM 0 H VAL A 70 -20.844 11.023 10.540 1.00 0.00 H new ATOM 0 HA VAL A 70 -22.747 9.470 11.874 1.00 0.00 H new ATOM 0 HB VAL A 70 -22.377 12.502 11.691 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -23.584 12.644 13.834 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.604 12.001 12.525 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -23.924 10.899 13.746 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.166 12.312 13.804 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -21.327 10.541 13.727 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -20.387 11.404 12.486 1.00 0.00 H new ATOM 1111 N ASN A 71 -23.990 11.575 9.592 1.00 0.00 N ATOM 1112 CA ASN A 71 -25.169 11.771 8.742 1.00 0.00 C ATOM 1113 C ASN A 71 -25.434 10.524 7.878 1.00 0.00 C ATOM 1114 O ASN A 71 -26.575 10.129 7.682 1.00 0.00 O ATOM 1115 CB ASN A 71 -25.078 12.991 7.845 1.00 0.00 C ATOM 1116 CG ASN A 71 -26.478 13.442 7.427 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -27.424 13.353 8.211 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -26.634 13.938 6.220 1.00 0.00 N ATOM 0 H ASN A 71 -23.200 12.188 9.390 1.00 0.00 H new ATOM 0 HA ASN A 71 -25.999 11.938 9.429 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -24.568 13.800 8.369 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -24.483 12.759 6.961 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -27.553 14.259 5.915 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -25.836 14.002 5.588 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.354 9.932 7.388 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.454 8.850 6.439 1.00 0.00 C ATOM 1127 C GLY A 72 -24.077 9.331 5.048 1.00 0.00 C ATOM 1128 O GLY A 72 -24.622 8.880 4.046 1.00 0.00 O ATOM 0 H GLY A 72 -23.399 10.189 7.637 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -23.798 8.033 6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.470 8.456 6.432 1.00 0.00 H new ATOM 1132 N MET A 73 -23.167 10.283 5.024 1.00 0.00 N ATOM 1133 CA MET A 73 -22.695 10.912 3.779 1.00 0.00 C ATOM 1134 C MET A 73 -21.166 10.792 3.583 1.00 0.00 C ATOM 1135 O MET A 73 -20.393 11.616 4.088 1.00 0.00 O ATOM 1136 CB MET A 73 -23.102 12.375 3.785 1.00 0.00 C ATOM 1137 CG MET A 73 -24.593 12.620 3.626 1.00 0.00 C ATOM 1138 SD MET A 73 -25.037 14.360 3.802 1.00 0.00 S ATOM 1139 CE MET A 73 -23.808 15.180 2.801 1.00 0.00 C ATOM 0 H MET A 73 -22.724 10.653 5.865 1.00 0.00 H new ATOM 0 HA MET A 73 -23.157 10.383 2.945 1.00 0.00 H new ATOM 0 HB2 MET A 73 -22.771 12.826 4.720 1.00 0.00 H new ATOM 0 HB3 MET A 73 -22.575 12.888 2.980 1.00 0.00 H new ATOM 0 HG2 MET A 73 -24.913 12.265 2.646 1.00 0.00 H new ATOM 0 HG3 MET A 73 -25.134 12.034 4.369 1.00 0.00 H new ATOM 0 HE1 MET A 73 -24.239 16.079 2.360 1.00 0.00 H new ATOM 0 HE2 MET A 73 -22.956 15.453 3.423 1.00 0.00 H new ATOM 0 HE3 MET A 73 -23.478 14.509 2.008 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.745 9.772 2.873 1.00 0.00 N ATOM 1150 CA VAL A 74 -19.318 9.563 2.549 1.00 0.00 C ATOM 1151 C VAL A 74 -19.115 9.364 1.033 1.00 0.00 C ATOM 1152 O VAL A 74 -19.905 8.688 0.360 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.736 8.318 3.294 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -19.397 7.027 2.843 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -17.234 8.242 3.141 1.00 0.00 C ATOM 0 H VAL A 74 -21.365 9.055 2.496 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.791 10.459 2.877 1.00 0.00 H new ATOM 0 HB VAL A 74 -18.961 8.444 4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -18.963 6.187 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -20.467 7.076 3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -19.236 6.890 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.858 7.366 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -16.979 8.165 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.780 9.140 3.559 1.00 0.00 H new ATOM 1165 N HIS A 75 -18.087 10.022 0.502 1.00 0.00 N ATOM 1166 CA HIS A 75 -17.672 9.859 -0.898 1.00 0.00 C ATOM 1167 C HIS A 75 -16.355 9.206 -1.032 1.00 0.00 C ATOM 1168 O HIS A 75 -15.395 9.594 -0.396 1.00 0.00 O ATOM 1169 CB HIS A 75 -17.694 11.169 -1.670 1.00 0.00 C ATOM 1170 CG HIS A 75 -19.080 11.711 -1.824 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -19.994 11.190 -2.710 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -19.730 12.690 -1.174 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -21.138 11.827 -2.597 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -21.001 12.749 -1.673 1.00 0.00 N ATOM 0 H HIS A 75 -17.515 10.684 1.026 1.00 0.00 H new ATOM 0 HA HIS A 75 -18.416 9.197 -1.341 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -17.074 11.903 -1.155 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -17.254 11.015 -2.655 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -19.322 13.318 -0.396 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -22.034 11.627 -3.165 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -21.725 13.403 -1.376 1.00 0.00 H new ATOM 1182 N VAL A 76 -16.297 8.216 -1.892 1.00 0.00 N ATOM 1183 CA VAL A 76 -15.093 7.452 -2.043 1.00 0.00 C ATOM 1184 C VAL A 76 -14.358 7.837 -3.350 1.00 0.00 C ATOM 1185 O VAL A 76 -14.872 7.655 -4.445 1.00 0.00 O ATOM 1186 CB VAL A 76 -15.442 5.944 -2.020 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -16.323 5.642 -0.846 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -16.084 5.472 -3.320 1.00 0.00 C ATOM 0 H VAL A 76 -17.069 7.926 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.418 7.672 -1.216 1.00 0.00 H new ATOM 0 HB VAL A 76 -14.508 5.392 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.565 4.579 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -15.804 5.905 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.243 6.222 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -16.308 4.408 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -17.006 6.027 -3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.397 5.644 -4.149 1.00 0.00 H new ATOM 1198 N ILE A 77 -13.199 8.456 -3.200 1.00 0.00 N ATOM 1199 CA ILE A 77 -12.403 8.823 -4.359 1.00 0.00 C ATOM 1200 C ILE A 77 -11.895 7.598 -5.137 1.00 0.00 C ATOM 1201 O ILE A 77 -11.955 7.550 -6.370 1.00 0.00 O ATOM 1202 CB ILE A 77 -11.179 9.637 -3.923 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -11.607 10.997 -3.366 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -10.180 9.807 -5.086 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -10.459 11.735 -2.701 1.00 0.00 C ATOM 0 H ILE A 77 -12.792 8.712 -2.300 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.057 9.406 -5.007 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.673 9.087 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -12.009 11.608 -4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -12.411 10.855 -2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.322 10.388 -4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.844 8.826 -5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.667 10.327 -5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.813 12.694 -2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -10.073 11.138 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.665 11.904 -3.428 1.00 0.00 H new ATOM 1217 N LYS A 78 -11.401 6.607 -4.383 1.00 0.00 N ATOM 1218 CA LYS A 78 -10.762 5.416 -4.979 1.00 0.00 C ATOM 1219 C LYS A 78 -11.649 4.179 -5.038 1.00 0.00 C ATOM 1220 O LYS A 78 -11.240 3.162 -5.587 1.00 0.00 O ATOM 1221 CB LYS A 78 -9.437 5.108 -4.300 1.00 0.00 C ATOM 1222 CG LYS A 78 -8.410 6.239 -4.412 1.00 0.00 C ATOM 1223 CD LYS A 78 -7.993 6.483 -5.848 1.00 0.00 C ATOM 1224 CE LYS A 78 -6.979 7.605 -5.910 1.00 0.00 C ATOM 1225 NZ LYS A 78 -6.501 7.856 -7.296 1.00 0.00 N ATOM 0 H LYS A 78 -11.429 6.602 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.578 5.683 -6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.619 4.898 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.016 4.203 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.831 7.154 -3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.532 5.992 -3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.567 5.573 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.865 6.737 -6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.424 8.516 -5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.129 7.359 -5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.809 8.632 -7.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.053 6.995 -7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.307 8.116 -7.899 1.00 0.00 H new ATOM 1239 N GLY A 79 -12.840 4.259 -4.490 1.00 0.00 N ATOM 1240 CA GLY A 79 -13.707 3.084 -4.487 1.00 0.00 C ATOM 1241 C GLY A 79 -13.454 2.146 -3.298 1.00 0.00 C ATOM 1242 O GLY A 79 -13.758 0.956 -3.375 1.00 0.00 O ATOM 0 H GLY A 79 -13.230 5.093 -4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.747 3.409 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.561 2.531 -5.415 1.00 0.00 H new ATOM 1246 N ILE A 80 -12.895 2.686 -2.196 1.00 0.00 N ATOM 1247 CA ILE A 80 -12.647 1.912 -0.942 1.00 0.00 C ATOM 1248 C ILE A 80 -11.617 0.770 -1.144 1.00 0.00 C ATOM 1249 O ILE A 80 -11.972 -0.389 -1.402 1.00 0.00 O ATOM 1250 CB ILE A 80 -13.998 1.308 -0.387 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -15.048 2.390 -0.089 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -13.748 0.531 0.875 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -14.628 3.386 0.976 1.00 0.00 C ATOM 0 H ILE A 80 -12.602 3.661 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.230 2.614 -0.220 1.00 0.00 H new ATOM 0 HB ILE A 80 -14.385 0.655 -1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -15.268 2.930 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -15.973 1.906 0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -14.689 0.122 1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.054 -0.284 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -13.319 1.191 1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -15.424 4.115 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -14.437 2.860 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.721 3.900 0.657 1.00 0.00 H new ATOM 1265 N GLN A 81 -10.339 1.133 -1.057 1.00 0.00 N ATOM 1266 CA GLN A 81 -9.218 0.200 -1.274 1.00 0.00 C ATOM 1267 C GLN A 81 -7.984 0.715 -0.506 1.00 0.00 C ATOM 1268 O GLN A 81 -8.006 1.776 0.061 1.00 0.00 O ATOM 1269 CB GLN A 81 -8.949 0.105 -2.758 1.00 0.00 C ATOM 1270 CG GLN A 81 -7.880 -0.883 -3.177 1.00 0.00 C ATOM 1271 CD GLN A 81 -8.272 -2.308 -2.885 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -9.431 -2.682 -3.008 1.00 0.00 O ATOM 1273 NE2 GLN A 81 -7.304 -3.098 -2.472 1.00 0.00 N ATOM 0 H GLN A 81 -10.043 2.083 -0.834 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.458 -0.796 -0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.879 -0.162 -3.259 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.664 1.093 -3.120 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.685 -0.773 -4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.950 -0.651 -2.658 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.354 -2.738 -2.386 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.504 -4.070 -2.238 1.00 0.00 H new ATOM 1282 N PHE A 82 -6.913 -0.075 -0.442 1.00 0.00 N ATOM 1283 CA PHE A 82 -5.717 0.351 0.259 1.00 0.00 C ATOM 1284 C PHE A 82 -5.100 1.617 -0.350 1.00 0.00 C ATOM 1285 O PHE A 82 -5.039 1.774 -1.560 1.00 0.00 O ATOM 1286 CB PHE A 82 -4.676 -0.763 0.292 1.00 0.00 C ATOM 1287 CG PHE A 82 -3.377 -0.291 0.901 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -3.291 0.015 2.258 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -2.251 -0.121 0.107 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -2.098 0.484 2.799 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -1.062 0.352 0.655 1.00 0.00 C ATOM 1292 CZ PHE A 82 -0.996 0.650 2.002 1.00 0.00 C ATOM 0 H PHE A 82 -6.855 -1.002 -0.864 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.025 0.587 1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.062 -1.606 0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.494 -1.122 -0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.155 -0.113 2.893 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.298 -0.358 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.040 0.718 3.852 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.193 0.486 0.028 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.073 1.015 2.428 1.00 0.00 H new ATOM 1302 N GLY A 83 -4.757 2.568 0.521 1.00 0.00 N ATOM 1303 CA GLY A 83 -4.126 3.821 0.088 1.00 0.00 C ATOM 1304 C GLY A 83 -5.125 4.802 -0.443 1.00 0.00 C ATOM 1305 O GLY A 83 -4.761 5.836 -0.990 1.00 0.00 O ATOM 0 H GLY A 83 -4.904 2.497 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.592 4.266 0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.385 3.606 -0.682 1.00 0.00 H new ATOM 1309 N SER A 84 -6.398 4.444 -0.324 1.00 0.00 N ATOM 1310 CA SER A 84 -7.465 5.284 -0.776 1.00 0.00 C ATOM 1311 C SER A 84 -7.775 6.377 0.216 1.00 0.00 C ATOM 1312 O SER A 84 -7.437 6.285 1.386 1.00 0.00 O ATOM 1313 CB SER A 84 -8.715 4.497 -1.057 1.00 0.00 C ATOM 1314 OG SER A 84 -9.269 3.955 0.130 1.00 0.00 O ATOM 0 H SER A 84 -6.704 3.563 0.089 1.00 0.00 H new ATOM 0 HA SER A 84 -7.121 5.739 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.450 5.141 -1.541 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.489 3.691 -1.755 1.00 0.00 H new ATOM 0 HG SER A 84 -8.650 3.297 0.509 1.00 0.00 H new ATOM 1320 N GLN A 85 -8.446 7.383 -0.277 1.00 0.00 N ATOM 1321 CA GLN A 85 -8.905 8.474 0.530 1.00 0.00 C ATOM 1322 C GLN A 85 -10.371 8.770 0.189 1.00 0.00 C ATOM 1323 O GLN A 85 -10.742 8.813 -0.974 1.00 0.00 O ATOM 1324 CB GLN A 85 -7.997 9.659 0.293 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.352 10.895 1.061 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.341 12.003 0.833 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -6.172 11.767 0.553 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -7.817 13.224 0.882 1.00 0.00 N ATOM 0 H GLN A 85 -8.691 7.466 -1.264 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.866 8.231 1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.977 9.372 0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.005 9.896 -0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.342 11.238 0.762 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.403 10.661 2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.797 13.380 1.119 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.208 14.017 0.683 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.214 8.899 1.210 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.658 9.167 0.999 1.00 0.00 C ATOM 1339 C ILE A 86 -13.077 10.364 1.833 1.00 0.00 C ATOM 1340 O ILE A 86 -12.373 10.750 2.753 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.582 7.976 1.329 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -13.844 7.876 2.836 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -13.008 6.682 0.767 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -12.796 7.151 3.636 1.00 0.00 C ATOM 0 H ILE A 86 -10.938 8.825 2.189 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.774 9.360 -0.068 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.546 8.147 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -13.946 8.885 3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.800 7.375 2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.673 5.853 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.913 6.766 -0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.026 6.499 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.083 7.141 4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.706 6.127 3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.838 7.660 3.527 1.00 0.00 H new ATOM 1356 N LYS A 87 -14.229 10.953 1.507 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.676 12.141 2.213 1.00 0.00 C ATOM 1358 C LYS A 87 -15.859 11.874 3.091 1.00 0.00 C ATOM 1359 O LYS A 87 -16.810 11.202 2.717 1.00 0.00 O ATOM 1360 CB LYS A 87 -15.068 13.252 1.247 1.00 0.00 C ATOM 1361 CG LYS A 87 -13.901 14.148 0.806 1.00 0.00 C ATOM 1362 CD LYS A 87 -13.000 13.397 -0.125 1.00 0.00 C ATOM 1363 CE LYS A 87 -11.839 14.244 -0.576 1.00 0.00 C ATOM 1364 NZ LYS A 87 -12.287 15.391 -1.411 1.00 0.00 N ATOM 0 H LYS A 87 -14.856 10.629 0.770 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.828 12.447 2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.522 12.805 0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.830 13.873 1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.284 15.041 0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.339 14.482 1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.627 12.502 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.568 13.065 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.300 14.617 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.140 13.631 -1.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.463 15.830 -1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.948 15.053 -2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.764 16.093 -0.810 1.00 0.00 H new ATOM 1378 N TYR A 88 -15.805 12.484 4.240 1.00 0.00 N ATOM 1379 CA TYR A 88 -16.821 12.485 5.212 1.00 0.00 C ATOM 1380 C TYR A 88 -17.389 13.864 5.325 1.00 0.00 C ATOM 1381 O TYR A 88 -16.906 14.690 6.100 1.00 0.00 O ATOM 1382 CB TYR A 88 -16.228 12.047 6.545 1.00 0.00 C ATOM 1383 CG TYR A 88 -15.809 10.601 6.568 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -16.723 9.597 6.855 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -14.507 10.237 6.325 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -16.331 8.269 6.895 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -14.114 8.939 6.370 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.018 7.956 6.654 1.00 0.00 C ATOM 1389 OH TYR A 88 -14.599 6.656 6.715 1.00 0.00 O ATOM 0 H TYR A 88 -14.989 13.025 4.526 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.617 11.796 4.930 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -15.364 12.671 6.772 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -16.961 12.218 7.334 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -17.754 9.854 7.050 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -13.780 11.001 6.093 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.049 7.492 7.113 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.082 8.682 6.180 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.963 6.159 5.953 1.00 0.00 H new ATOM 1399 N SER A 89 -18.385 14.114 4.539 1.00 0.00 N ATOM 1400 CA SER A 89 -19.049 15.381 4.576 1.00 0.00 C ATOM 1401 C SER A 89 -20.477 15.190 5.046 1.00 0.00 C ATOM 1402 O SER A 89 -21.232 14.493 4.420 1.00 0.00 O ATOM 1403 CB SER A 89 -19.004 16.017 3.182 1.00 0.00 C ATOM 1404 OG SER A 89 -17.655 16.122 2.716 1.00 0.00 O ATOM 0 H SER A 89 -18.761 13.454 3.858 1.00 0.00 H new ATOM 0 HA SER A 89 -18.546 16.049 5.276 1.00 0.00 H new ATOM 0 HB2 SER A 89 -19.589 15.418 2.485 1.00 0.00 H new ATOM 0 HB3 SER A 89 -19.461 17.006 3.213 1.00 0.00 H new ATOM 0 HG SER A 89 -17.648 16.529 1.824 1.00 0.00 H new ATOM 1410 N CYS A 90 -20.804 15.809 6.150 1.00 0.00 N ATOM 1411 CA CYS A 90 -22.116 15.662 6.792 1.00 0.00 C ATOM 1412 C CYS A 90 -23.195 16.492 6.059 1.00 0.00 C ATOM 1413 O CYS A 90 -24.365 16.120 6.030 1.00 0.00 O ATOM 1414 CB CYS A 90 -21.978 16.265 8.185 1.00 0.00 C ATOM 1415 SG CYS A 90 -20.622 15.624 9.202 1.00 0.00 S ATOM 0 H CYS A 90 -20.173 16.438 6.646 1.00 0.00 H new ATOM 0 HA CYS A 90 -22.407 14.612 6.789 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -21.849 17.342 8.081 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -22.913 16.106 8.721 1.00 0.00 H new ATOM 1420 N THR A 91 -22.776 17.617 5.537 1.00 0.00 N ATOM 1421 CA THR A 91 -23.681 18.661 5.049 1.00 0.00 C ATOM 1422 C THR A 91 -22.918 19.631 4.122 1.00 0.00 C ATOM 1423 O THR A 91 -21.705 19.528 4.013 1.00 0.00 O ATOM 1424 CB THR A 91 -24.215 19.408 6.324 1.00 0.00 C ATOM 1425 OG1 THR A 91 -25.075 18.549 7.085 1.00 0.00 O ATOM 1426 CG2 THR A 91 -24.922 20.712 6.048 1.00 0.00 C ATOM 0 H THR A 91 -21.788 17.849 5.432 1.00 0.00 H new ATOM 0 HA THR A 91 -24.504 18.244 4.469 1.00 0.00 H new ATOM 0 HB THR A 91 -23.322 19.666 6.893 1.00 0.00 H new ATOM 0 HG1 THR A 91 -25.745 19.089 7.554 1.00 0.00 H new ATOM 0 HG21 THR A 91 -25.254 21.152 6.988 1.00 0.00 H new ATOM 0 HG22 THR A 91 -24.238 21.398 5.548 1.00 0.00 H new ATOM 0 HG23 THR A 91 -25.785 20.529 5.408 1.00 0.00 H new ATOM 1434 N LYS A 92 -23.621 20.529 3.427 1.00 0.00 N ATOM 1435 CA LYS A 92 -22.965 21.618 2.870 1.00 0.00 C ATOM 1436 C LYS A 92 -23.316 22.789 3.756 1.00 0.00 C ATOM 1437 O LYS A 92 -24.466 23.246 3.786 1.00 0.00 O ATOM 1438 CB LYS A 92 -23.416 21.876 1.445 1.00 0.00 C ATOM 1439 CG LYS A 92 -22.759 23.095 0.845 1.00 0.00 C ATOM 1440 CD LYS A 92 -21.262 22.909 0.701 1.00 0.00 C ATOM 1441 CE LYS A 92 -20.658 24.172 0.161 1.00 0.00 C ATOM 1442 NZ LYS A 92 -19.177 24.114 0.063 1.00 0.00 N ATOM 0 H LYS A 92 -24.627 20.489 3.262 1.00 0.00 H new ATOM 0 HA LYS A 92 -21.890 21.445 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -23.188 21.005 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -24.498 22.004 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -23.196 23.301 -0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -22.959 23.963 1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -20.819 22.664 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -21.050 22.075 0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -21.074 24.373 -0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -20.941 25.006 0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -18.819 25.014 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -18.773 23.950 1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -18.901 23.337 -0.571 1.00 0.00 H new ATOM 1456 N GLY A 93 -22.338 23.258 4.408 1.00 0.00 N ATOM 1457 CA GLY A 93 -22.511 24.339 5.347 1.00 0.00 C ATOM 1458 C GLY A 93 -22.445 23.860 6.801 1.00 0.00 C ATOM 1459 O GLY A 93 -23.330 24.162 7.599 1.00 0.00 O ATOM 0 H GLY A 93 -21.380 22.919 4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -21.740 25.091 5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -23.472 24.822 5.169 1.00 0.00 H new ATOM 1463 N TYR A 94 -21.394 23.089 7.131 1.00 0.00 N ATOM 1464 CA TYR A 94 -21.215 22.504 8.482 1.00 0.00 C ATOM 1465 C TYR A 94 -19.716 22.396 8.743 1.00 0.00 C ATOM 1466 O TYR A 94 -18.914 22.479 7.793 1.00 0.00 O ATOM 1467 CB TYR A 94 -21.788 21.080 8.517 1.00 0.00 C ATOM 1468 CG TYR A 94 -20.810 20.066 7.979 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -20.500 20.005 6.633 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -20.129 19.213 8.849 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -19.556 19.118 6.163 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -19.167 18.336 8.367 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.898 18.306 7.026 1.00 0.00 C ATOM 1474 OH TYR A 94 -17.956 17.451 6.544 1.00 0.00 O ATOM 0 H TYR A 94 -20.647 22.852 6.478 1.00 0.00 H new ATOM 0 HA TYR A 94 -21.719 23.127 9.221 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -22.053 20.820 9.542 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -22.707 21.044 7.932 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -21.005 20.662 5.940 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -20.352 19.235 9.905 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.340 19.070 5.106 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -18.636 17.684 9.044 1.00 0.00 H new ATOM 0 HH TYR A 94 -17.119 17.938 6.393 1.00 0.00 H new ATOM 1484 N ARG A 95 -19.332 22.228 9.977 1.00 0.00 N ATOM 1485 CA ARG A 95 -17.923 22.094 10.276 1.00 0.00 C ATOM 1486 C ARG A 95 -17.676 20.627 10.572 1.00 0.00 C ATOM 1487 O ARG A 95 -18.489 20.006 11.265 1.00 0.00 O ATOM 1488 CB ARG A 95 -17.592 22.859 11.541 1.00 0.00 C ATOM 1489 CG ARG A 95 -17.895 24.313 11.398 1.00 0.00 C ATOM 1490 CD ARG A 95 -17.567 25.115 12.626 1.00 0.00 C ATOM 1491 NE ARG A 95 -17.914 26.509 12.462 1.00 0.00 N ATOM 1492 CZ ARG A 95 -19.129 27.007 12.775 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -20.071 26.211 13.339 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -19.396 28.294 12.555 1.00 0.00 N ATOM 0 H ARG A 95 -19.956 22.180 10.782 1.00 0.00 H new ATOM 0 HA ARG A 95 -17.325 22.467 9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -18.161 22.448 12.375 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -16.537 22.728 11.780 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -17.335 24.712 10.552 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -18.953 24.435 11.165 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -18.102 24.705 13.482 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -16.503 25.028 12.844 1.00 0.00 H new ATOM 0 HE ARG A 95 -17.208 27.146 12.093 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -19.863 25.231 13.529 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -20.987 26.593 13.573 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -18.683 28.901 12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -20.314 28.672 12.791 1.00 0.00 H new ATOM 1508 N LEU A 96 -16.644 20.044 10.070 1.00 0.00 N ATOM 1509 CA LEU A 96 -16.349 18.740 10.580 1.00 0.00 C ATOM 1510 C LEU A 96 -15.152 18.913 11.494 1.00 0.00 C ATOM 1511 O LEU A 96 -14.081 19.338 11.054 1.00 0.00 O ATOM 1512 CB LEU A 96 -15.983 17.795 9.445 1.00 0.00 C ATOM 1513 CG LEU A 96 -15.838 16.358 9.859 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -17.159 15.822 10.311 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -15.273 15.542 8.754 1.00 0.00 C ATOM 0 H LEU A 96 -16.021 20.414 9.352 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.209 18.318 11.101 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -16.747 17.862 8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -15.046 18.128 8.998 1.00 0.00 H new ATOM 0 HG LEU A 96 -15.140 16.301 10.694 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.046 14.780 10.610 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.518 16.405 11.159 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -17.878 15.890 9.494 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.178 14.506 9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.935 15.592 7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.291 15.928 8.482 1.00 0.00 H new ATOM 1527 N ILE A 97 -15.338 18.587 12.748 1.00 0.00 N ATOM 1528 CA ILE A 97 -14.317 18.799 13.769 1.00 0.00 C ATOM 1529 C ILE A 97 -13.068 17.922 13.565 1.00 0.00 C ATOM 1530 O ILE A 97 -11.939 18.387 13.670 1.00 0.00 O ATOM 1531 CB ILE A 97 -14.912 18.595 15.186 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -16.152 19.467 15.357 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -13.877 18.977 16.258 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -15.913 20.952 15.189 1.00 0.00 C ATOM 0 H ILE A 97 -16.198 18.167 13.100 1.00 0.00 H new ATOM 0 HA ILE A 97 -13.985 19.832 13.669 1.00 0.00 H new ATOM 0 HB ILE A 97 -15.181 17.545 15.302 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -16.904 19.150 14.634 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -16.569 19.290 16.349 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -14.307 18.829 17.248 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -12.992 18.350 16.150 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -13.597 20.023 16.137 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -16.851 21.490 15.328 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -15.188 21.290 15.929 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -15.528 21.148 14.188 1.00 0.00 H new ATOM 1546 N GLY A 98 -13.305 16.645 13.264 1.00 0.00 N ATOM 1547 CA GLY A 98 -12.227 15.677 13.088 1.00 0.00 C ATOM 1548 C GLY A 98 -11.690 15.619 11.679 1.00 0.00 C ATOM 1549 O GLY A 98 -11.374 16.651 11.088 1.00 0.00 O ATOM 0 H GLY A 98 -14.240 16.257 13.137 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.412 15.926 13.768 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.588 14.688 13.371 1.00 0.00 H new ATOM 1553 N SER A 99 -11.583 14.409 11.096 1.00 0.00 N ATOM 1554 CA SER A 99 -11.020 14.313 9.771 1.00 0.00 C ATOM 1555 C SER A 99 -12.120 14.169 8.735 1.00 0.00 C ATOM 1556 O SER A 99 -12.915 13.241 8.752 1.00 0.00 O ATOM 1557 CB SER A 99 -10.045 13.124 9.682 1.00 0.00 C ATOM 1558 OG SER A 99 -9.185 13.269 8.585 1.00 0.00 O ATOM 0 H SER A 99 -11.872 13.526 11.517 1.00 0.00 H new ATOM 0 HA SER A 99 -10.468 15.230 9.567 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.462 13.056 10.601 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.606 12.194 9.590 1.00 0.00 H new ATOM 0 HG SER A 99 -9.351 12.548 7.942 1.00 0.00 H new ATOM 1564 N SER A 100 -12.147 15.148 7.835 1.00 0.00 N ATOM 1565 CA SER A 100 -13.015 15.190 6.685 1.00 0.00 C ATOM 1566 C SER A 100 -12.768 14.030 5.759 1.00 0.00 C ATOM 1567 O SER A 100 -13.680 13.490 5.188 1.00 0.00 O ATOM 1568 CB SER A 100 -12.899 16.534 5.981 1.00 0.00 C ATOM 1569 OG SER A 100 -13.082 17.590 6.910 1.00 0.00 O ATOM 0 H SER A 100 -11.536 15.962 7.899 1.00 0.00 H new ATOM 0 HA SER A 100 -14.045 15.088 7.028 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.921 16.622 5.507 1.00 0.00 H new ATOM 0 HB3 SER A 100 -13.644 16.603 5.189 1.00 0.00 H new ATOM 0 HG SER A 100 -13.004 18.450 6.447 1.00 0.00 H new ATOM 1575 N SER A 101 -11.523 13.666 5.585 1.00 0.00 N ATOM 1576 CA SER A 101 -11.203 12.563 4.724 1.00 0.00 C ATOM 1577 C SER A 101 -10.329 11.573 5.494 1.00 0.00 C ATOM 1578 O SER A 101 -9.576 11.957 6.375 1.00 0.00 O ATOM 1579 CB SER A 101 -10.477 13.085 3.479 1.00 0.00 C ATOM 1580 OG SER A 101 -11.237 14.086 2.817 1.00 0.00 O ATOM 0 H SER A 101 -10.721 14.116 6.026 1.00 0.00 H new ATOM 0 HA SER A 101 -12.111 12.053 4.402 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.507 13.492 3.765 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.286 12.259 2.794 1.00 0.00 H new ATOM 0 HG SER A 101 -10.632 14.714 2.370 1.00 0.00 H new ATOM 1586 N ALA A 102 -10.425 10.315 5.123 1.00 0.00 N ATOM 1587 CA ALA A 102 -9.684 9.270 5.788 1.00 0.00 C ATOM 1588 C ALA A 102 -8.903 8.509 4.761 1.00 0.00 C ATOM 1589 O ALA A 102 -9.336 8.391 3.606 1.00 0.00 O ATOM 1590 CB ALA A 102 -10.643 8.311 6.511 1.00 0.00 C ATOM 0 H ALA A 102 -11.015 9.991 4.357 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.014 9.714 6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.069 7.529 7.008 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.220 8.864 7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.321 7.860 5.787 1.00 0.00 H new ATOM 1596 N THR A 103 -7.765 8.016 5.147 1.00 0.00 N ATOM 1597 CA THR A 103 -6.905 7.319 4.251 1.00 0.00 C ATOM 1598 C THR A 103 -6.698 5.889 4.809 1.00 0.00 C ATOM 1599 O THR A 103 -6.370 5.724 5.991 1.00 0.00 O ATOM 1600 CB THR A 103 -5.558 8.058 4.123 1.00 0.00 C ATOM 1601 OG1 THR A 103 -5.797 9.409 3.689 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.665 7.356 3.111 1.00 0.00 C ATOM 0 H THR A 103 -7.408 8.089 6.100 1.00 0.00 H new ATOM 0 HA THR A 103 -7.348 7.269 3.256 1.00 0.00 H new ATOM 0 HB THR A 103 -5.061 8.060 5.093 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.943 9.883 3.608 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.717 7.889 3.031 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.480 6.333 3.437 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.157 7.343 2.139 1.00 0.00 H new ATOM 1610 N CYS A 104 -6.902 4.881 3.974 1.00 0.00 N ATOM 1611 CA CYS A 104 -6.843 3.478 4.432 1.00 0.00 C ATOM 1612 C CYS A 104 -5.434 2.902 4.420 1.00 0.00 C ATOM 1613 O CYS A 104 -4.729 2.966 3.414 1.00 0.00 O ATOM 1614 CB CYS A 104 -7.816 2.626 3.613 1.00 0.00 C ATOM 1615 SG CYS A 104 -8.100 0.903 4.239 1.00 0.00 S ATOM 0 H CYS A 104 -7.109 4.994 2.982 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.150 3.460 5.478 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -8.776 3.141 3.573 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -7.444 2.565 2.590 1.00 0.00 H new ATOM 1620 N ILE A 105 -5.029 2.343 5.566 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.676 1.799 5.759 1.00 0.00 C ATOM 1622 C ILE A 105 -3.742 0.370 6.322 1.00 0.00 C ATOM 1623 O ILE A 105 -4.774 -0.052 6.854 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.794 2.673 6.710 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.534 3.014 8.020 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.358 3.979 5.990 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.453 4.181 7.913 1.00 0.00 C ATOM 0 H ILE A 105 -5.628 2.254 6.387 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.210 1.800 4.774 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.910 2.090 6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.106 2.143 8.339 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.798 3.215 8.799 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.745 4.578 6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.781 3.728 5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.242 4.548 5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.934 4.355 8.876 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.885 5.066 7.626 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.213 3.977 7.159 1.00 0.00 H new ATOM 1639 N ILE A 106 -2.637 -0.350 6.208 1.00 0.00 N ATOM 1640 CA ILE A 106 -2.560 -1.736 6.693 1.00 0.00 C ATOM 1641 C ILE A 106 -2.450 -1.777 8.235 1.00 0.00 C ATOM 1642 O ILE A 106 -1.606 -1.091 8.816 1.00 0.00 O ATOM 1643 CB ILE A 106 -1.256 -2.402 6.161 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -1.116 -2.216 4.642 1.00 0.00 C ATOM 1645 CG2 ILE A 106 -1.202 -3.882 6.510 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -2.229 -2.815 3.859 1.00 0.00 C ATOM 0 H ILE A 106 -1.776 -0.005 5.785 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.459 -2.249 6.351 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.420 -1.903 6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.060 -1.150 4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.175 -2.660 4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.279 -4.314 6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.233 -4.002 7.593 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.056 -4.392 6.064 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.060 -2.643 2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.273 -3.887 4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.171 -2.355 4.155 1.00 0.00 H new ATOM 1658 N SER A 107 -3.345 -2.523 8.889 1.00 0.00 N ATOM 1659 CA SER A 107 -3.217 -2.803 10.318 1.00 0.00 C ATOM 1660 C SER A 107 -2.431 -4.102 10.533 1.00 0.00 C ATOM 1661 O SER A 107 -2.015 -4.439 11.638 1.00 0.00 O ATOM 1662 CB SER A 107 -4.598 -2.940 10.958 1.00 0.00 C ATOM 1663 OG SER A 107 -5.350 -1.769 10.780 1.00 0.00 O ATOM 0 H SER A 107 -4.165 -2.943 8.450 1.00 0.00 H new ATOM 0 HA SER A 107 -2.684 -1.974 10.784 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.125 -3.786 10.517 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.491 -3.150 12.022 1.00 0.00 H new ATOM 0 HG SER A 107 -4.884 -1.015 11.198 1.00 0.00 H new ATOM 1669 N GLY A 108 -2.234 -4.814 9.439 1.00 0.00 N ATOM 1670 CA GLY A 108 -1.579 -6.093 9.481 1.00 0.00 C ATOM 1671 C GLY A 108 -2.580 -7.216 9.340 1.00 0.00 C ATOM 1672 O GLY A 108 -2.467 -8.019 8.405 1.00 0.00 O ATOM 0 H GLY A 108 -2.524 -4.519 8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.842 -6.155 8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.038 -6.198 10.421 1.00 0.00 H new ATOM 1676 N ASP A 109 -3.526 -7.304 10.253 1.00 0.00 N ATOM 1677 CA ASP A 109 -4.622 -8.268 10.142 1.00 0.00 C ATOM 1678 C ASP A 109 -5.517 -7.899 8.976 1.00 0.00 C ATOM 1679 O ASP A 109 -6.017 -8.753 8.252 1.00 0.00 O ATOM 1680 CB ASP A 109 -5.476 -8.315 11.461 1.00 0.00 C ATOM 1681 CG ASP A 109 -6.038 -6.942 11.873 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -5.449 -5.911 11.498 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -7.111 -6.913 12.551 1.00 0.00 O ATOM 0 H ASP A 109 -3.565 -6.719 11.088 1.00 0.00 H new ATOM 0 HA ASP A 109 -4.187 -9.254 9.978 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.303 -9.012 11.325 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.860 -8.705 12.271 1.00 0.00 H new ATOM 1688 N THR A 110 -5.704 -6.613 8.834 1.00 0.00 N ATOM 1689 CA THR A 110 -6.641 -6.057 7.922 1.00 0.00 C ATOM 1690 C THR A 110 -6.188 -4.653 7.506 1.00 0.00 C ATOM 1691 O THR A 110 -5.102 -4.225 7.866 1.00 0.00 O ATOM 1692 CB THR A 110 -8.041 -6.015 8.574 1.00 0.00 C ATOM 1693 OG1 THR A 110 -9.073 -5.908 7.587 1.00 0.00 O ATOM 1694 CG2 THR A 110 -8.146 -4.853 9.584 1.00 0.00 C ATOM 0 H THR A 110 -5.190 -5.913 9.369 1.00 0.00 H new ATOM 0 HA THR A 110 -6.696 -6.679 7.029 1.00 0.00 H new ATOM 0 HB THR A 110 -8.179 -6.954 9.110 1.00 0.00 H new ATOM 0 HG1 THR A 110 -9.947 -5.885 8.029 1.00 0.00 H new ATOM 0 HG21 THR A 110 -9.141 -4.846 10.028 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.400 -4.983 10.368 1.00 0.00 H new ATOM 0 HG23 THR A 110 -7.971 -3.908 9.070 1.00 0.00 H new ATOM 1702 N VAL A 111 -6.988 -3.968 6.730 1.00 0.00 N ATOM 1703 CA VAL A 111 -6.723 -2.563 6.400 1.00 0.00 C ATOM 1704 C VAL A 111 -7.812 -1.660 7.019 1.00 0.00 C ATOM 1705 O VAL A 111 -9.009 -1.959 6.929 1.00 0.00 O ATOM 1706 CB VAL A 111 -6.713 -2.320 4.900 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -5.502 -2.923 4.283 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -7.955 -2.867 4.269 1.00 0.00 C ATOM 0 H VAL A 111 -7.834 -4.348 6.306 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.739 -2.325 6.804 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.688 -1.244 4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.511 -2.739 3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.610 -2.475 4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.496 -3.997 4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.929 -2.683 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.014 -3.940 4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.828 -2.377 4.700 1.00 0.00 H new ATOM 1718 N ILE A 112 -7.390 -0.602 7.686 1.00 0.00 N ATOM 1719 CA ILE A 112 -8.315 0.310 8.383 1.00 0.00 C ATOM 1720 C ILE A 112 -8.060 1.738 7.960 1.00 0.00 C ATOM 1721 O ILE A 112 -7.046 2.045 7.352 1.00 0.00 O ATOM 1722 CB ILE A 112 -8.245 0.271 9.928 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -6.865 0.692 10.420 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -8.594 -1.111 10.444 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -6.762 0.838 11.935 1.00 0.00 C ATOM 0 H ILE A 112 -6.407 -0.341 7.767 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.304 -0.044 8.094 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.976 0.979 10.317 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.132 -0.042 10.086 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.599 1.642 9.955 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.539 -1.118 11.533 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.605 -1.372 10.130 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.890 -1.839 10.041 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.750 1.140 12.203 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -7.469 1.594 12.277 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -6.994 -0.116 12.409 1.00 0.00 H new ATOM 1737 N TRP A 113 -8.984 2.579 8.286 1.00 0.00 N ATOM 1738 CA TRP A 113 -8.931 3.984 7.936 1.00 0.00 C ATOM 1739 C TRP A 113 -8.241 4.768 9.059 1.00 0.00 C ATOM 1740 O TRP A 113 -8.334 4.380 10.231 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.365 4.447 7.772 1.00 0.00 C ATOM 1742 CG TRP A 113 -11.011 3.790 6.607 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -11.881 2.745 6.641 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -10.848 4.133 5.232 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -12.261 2.412 5.374 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.642 3.254 4.497 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -10.108 5.099 4.559 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -11.732 3.306 3.100 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -10.188 5.155 3.181 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -11.006 4.261 2.458 1.00 0.00 C ATOM 0 H TRP A 113 -9.818 2.318 8.813 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.366 4.146 7.018 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.928 4.223 8.678 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.388 5.529 7.642 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.221 2.251 7.539 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.902 1.659 5.124 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.483 5.792 5.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -12.355 2.614 2.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.613 5.897 2.647 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -11.056 4.336 1.382 1.00 0.00 H new ATOM 1761 N ASP A 114 -7.512 5.838 8.695 1.00 0.00 N ATOM 1762 CA ASP A 114 -6.719 6.618 9.680 1.00 0.00 C ATOM 1763 C ASP A 114 -7.524 7.681 10.396 1.00 0.00 C ATOM 1764 O ASP A 114 -7.001 8.390 11.257 1.00 0.00 O ATOM 1765 CB ASP A 114 -5.472 7.259 9.019 1.00 0.00 C ATOM 1766 CG ASP A 114 -5.794 8.362 7.997 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -6.982 8.563 7.675 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -4.852 9.029 7.525 1.00 0.00 O ATOM 0 H ASP A 114 -7.451 6.185 7.738 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.400 5.897 10.432 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -4.836 7.677 9.799 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -4.896 6.478 8.523 1.00 0.00 H new ATOM 1773 N GLN A 115 -8.790 7.808 10.048 1.00 0.00 N ATOM 1774 CA GLN A 115 -9.670 8.713 10.754 1.00 0.00 C ATOM 1775 C GLN A 115 -9.974 8.239 12.162 1.00 0.00 C ATOM 1776 O GLN A 115 -10.203 7.063 12.402 1.00 0.00 O ATOM 1777 CB GLN A 115 -10.941 8.962 9.989 1.00 0.00 C ATOM 1778 CG GLN A 115 -11.901 9.889 10.724 1.00 0.00 C ATOM 1779 CD GLN A 115 -13.076 10.260 9.864 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -12.992 10.190 8.668 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -14.165 10.615 10.466 1.00 0.00 N ATOM 0 H GLN A 115 -9.229 7.297 9.283 1.00 0.00 H new ATOM 0 HA GLN A 115 -9.135 9.659 10.837 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -10.697 9.395 9.019 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -11.437 8.010 9.798 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -12.254 9.402 11.633 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -11.373 10.792 11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -14.193 10.661 11.485 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -14.996 10.849 9.922 1.00 0.00 H new ATOM 1790 N GLU A 116 -9.971 9.181 13.074 1.00 0.00 N ATOM 1791 CA GLU A 116 -10.136 8.892 14.515 1.00 0.00 C ATOM 1792 C GLU A 116 -11.520 8.294 14.864 1.00 0.00 C ATOM 1793 O GLU A 116 -11.595 7.325 15.629 1.00 0.00 O ATOM 1794 CB GLU A 116 -9.961 10.203 15.301 1.00 0.00 C ATOM 1795 CG GLU A 116 -8.576 10.805 15.262 1.00 0.00 C ATOM 1796 CD GLU A 116 -7.518 9.913 15.916 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -7.888 9.026 16.714 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -6.312 10.142 15.673 1.00 0.00 O ATOM 0 H GLU A 116 -9.856 10.172 12.860 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.384 8.149 14.782 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.668 10.936 14.913 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.230 10.021 16.342 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.296 10.991 14.225 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.591 11.771 15.767 1.00 0.00 H new ATOM 1805 N THR A 117 -12.586 8.838 14.269 1.00 0.00 N ATOM 1806 CA THR A 117 -13.971 8.400 14.565 1.00 0.00 C ATOM 1807 C THR A 117 -14.945 9.283 13.772 1.00 0.00 C ATOM 1808 O THR A 117 -14.521 10.302 13.264 1.00 0.00 O ATOM 1809 CB THR A 117 -14.256 8.532 16.115 1.00 0.00 C ATOM 1810 OG1 THR A 117 -15.175 7.526 16.550 1.00 0.00 O ATOM 1811 CG2 THR A 117 -14.828 9.909 16.455 1.00 0.00 C ATOM 0 H THR A 117 -12.525 9.585 13.577 1.00 0.00 H new ATOM 0 HA THR A 117 -14.102 7.357 14.276 1.00 0.00 H new ATOM 0 HB THR A 117 -13.305 8.403 16.631 1.00 0.00 H new ATOM 0 HG1 THR A 117 -15.336 7.624 17.512 1.00 0.00 H new ATOM 0 HG21 THR A 117 -15.014 9.971 17.527 1.00 0.00 H new ATOM 0 HG22 THR A 117 -14.115 10.681 16.165 1.00 0.00 H new ATOM 0 HG23 THR A 117 -15.763 10.058 15.915 1.00 0.00 H new ATOM 1819 N PRO A 118 -16.243 8.883 13.583 1.00 0.00 N ATOM 1820 CA PRO A 118 -17.211 9.746 12.876 1.00 0.00 C ATOM 1821 C PRO A 118 -17.449 11.090 13.637 1.00 0.00 C ATOM 1822 O PRO A 118 -17.526 11.101 14.876 1.00 0.00 O ATOM 1823 CB PRO A 118 -18.486 8.901 12.851 1.00 0.00 C ATOM 1824 CG PRO A 118 -18.064 7.500 13.162 1.00 0.00 C ATOM 1825 CD PRO A 118 -16.840 7.599 14.004 1.00 0.00 C ATOM 0 HA PRO A 118 -16.866 10.035 11.883 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.207 9.262 13.584 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.969 8.955 11.876 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -18.854 6.966 13.689 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -17.860 6.945 12.246 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -17.081 7.597 15.067 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -16.162 6.763 13.829 1.00 0.00 H new ATOM 1833 N ILE A 119 -17.607 12.196 12.893 1.00 0.00 N ATOM 1834 CA ILE A 119 -17.819 13.544 13.483 1.00 0.00 C ATOM 1835 C ILE A 119 -18.814 14.345 12.666 1.00 0.00 C ATOM 1836 O ILE A 119 -18.951 14.061 11.518 1.00 0.00 O ATOM 1837 CB ILE A 119 -16.507 14.376 13.526 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -15.326 13.535 13.933 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -16.639 15.554 14.480 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -14.447 13.134 12.783 1.00 0.00 C ATOM 0 H ILE A 119 -17.593 12.191 11.873 1.00 0.00 H new ATOM 0 HA ILE A 119 -18.187 13.369 14.494 1.00 0.00 H new ATOM 0 HB ILE A 119 -16.337 14.747 12.516 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -14.730 14.088 14.659 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -15.686 12.637 14.434 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -15.707 16.119 14.491 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -17.452 16.201 14.149 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -16.853 15.187 15.484 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -13.618 12.531 13.152 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -15.028 12.553 12.066 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.057 14.027 12.295 1.00 0.00 H new ATOM 1852 N CYS A 120 -19.584 15.245 13.298 1.00 0.00 N ATOM 1853 CA CYS A 120 -20.376 16.269 12.550 1.00 0.00 C ATOM 1854 C CYS A 120 -20.688 17.500 13.444 1.00 0.00 C ATOM 1855 O CYS A 120 -21.363 17.336 14.445 1.00 0.00 O ATOM 1856 CB CYS A 120 -21.697 15.700 11.921 1.00 0.00 C ATOM 1857 SG CYS A 120 -21.458 14.403 10.581 1.00 0.00 S ATOM 0 H CYS A 120 -19.683 15.296 14.312 1.00 0.00 H new ATOM 0 HA CYS A 120 -19.745 16.583 11.719 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -22.302 15.267 12.718 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -22.267 16.530 11.503 1.00 0.00 H new ATOM 1862 N ASP A 121 -20.112 18.740 13.160 1.00 0.00 N ATOM 1863 CA ASP A 121 -20.500 19.918 13.976 1.00 0.00 C ATOM 1864 C ASP A 121 -21.976 20.251 13.776 1.00 0.00 C ATOM 1865 O ASP A 121 -22.753 20.301 14.731 1.00 0.00 O ATOM 1866 CB ASP A 121 -19.679 21.151 13.613 1.00 0.00 C ATOM 1867 CG ASP A 121 -20.093 22.401 14.424 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -20.833 22.241 15.428 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -19.678 23.520 14.051 1.00 0.00 O ATOM 0 H ASP A 121 -19.430 18.918 12.423 1.00 0.00 H new ATOM 0 HA ASP A 121 -20.310 19.654 15.016 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -18.623 20.944 13.786 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -19.793 21.359 12.549 1.00 0.00 H new ATOM 1874 N ARG A 122 -22.354 20.354 12.493 1.00 0.00 N ATOM 1875 CA ARG A 122 -23.699 20.736 12.088 1.00 0.00 C ATOM 1876 C ARG A 122 -24.382 21.677 13.094 1.00 0.00 C ATOM 1877 O ARG A 122 -24.028 22.890 13.097 1.00 0.00 O ATOM 1878 CB ARG A 122 -24.547 19.495 11.784 1.00 0.00 C ATOM 1879 CG ARG A 122 -25.926 19.804 11.300 1.00 0.00 C ATOM 1880 CD ARG A 122 -26.690 18.542 10.993 1.00 0.00 C ATOM 1881 NE ARG A 122 -26.137 17.827 9.826 1.00 0.00 N ATOM 1882 CZ ARG A 122 -26.602 16.675 9.372 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -27.471 15.975 10.073 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -26.178 16.214 8.229 1.00 0.00 N ATOM 0 H ARG A 122 -21.726 20.172 11.710 1.00 0.00 H new ATOM 0 HA ARG A 122 -23.607 21.312 11.167 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -24.036 18.894 11.032 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -24.617 18.886 12.685 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -26.459 20.380 12.056 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -25.870 20.425 10.406 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -26.669 17.886 11.863 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -27.735 18.788 10.805 1.00 0.00 H new ATOM 0 HE ARG A 122 -25.346 18.248 9.339 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -27.793 16.320 10.977 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -27.822 15.088 9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -25.491 16.741 7.690 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -26.533 15.326 7.874 1.00 0.00 H new TER 1898 ARG A 122