USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 756 hydrogens (18 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 98 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 130 NCZ O2 : rot -118:sc= 1.03 USER MOD Set 2.1: A 36 GLN : amide:sc= -4.28! C(o=-5.1!,f=-6.1!) USER MOD Set 2.2: A 48 ASN :FLIP amide:sc= -0.782 F(o=-5.8!,f=-5.1) USER MOD Single : A 1 ALA N :NH3+ -148:sc= -0.854 (180deg=-2.04!) USER MOD Single : A 4 THR OG1 : rot 18:sc= -1.03! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -51:sc= -4.12! USER MOD Single : A 11 SER OG : rot -2:sc= -10.7! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 91:sc= -2.42! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -11.2! C(o=-17!,f=-11!) USER MOD Single : A 30 THR OG1 : rot 101:sc= 0.974 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -44:sc= -1.15! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -48:sc= -5.59! USER MOD Single : A 60 ASN : amide:sc= -0.337 K(o=-0.34,f=-3!) USER MOD Single : A 62 SER OG : rot 180:sc= -1.34 USER MOD Single : A 64 SER OG : rot 53:sc= 0.106 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.497 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.444 USER MOD Single : A 85 THR OG1 : rot -65:sc= -2.41! USER MOD Single : A 89 THR OG1 : rot 179:sc= -1.13 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -1.35 K(o=-1.3,f=-5.7!) USER MOD Single : A 103 ASN : amide:sc= -0.576 X(o=-0.58,f=-0.086) USER MOD Single : A 111 SER OG : rot 72:sc= 0.692 USER MOD Single : A 113 ASN : amide:sc=-0.00465 K(o=-0.0046,f=-1) USER MOD Single : A 130 NCZ O5 : rot -1:sc= -0.31! USER MOD Single : A 130 NCZ O6 : rot -14:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.972 -6.331 11.865 1.00 0.00 N ATOM 2 CA ALA A 1 -12.388 -6.061 12.050 1.00 0.00 C ATOM 3 C ALA A 1 -12.893 -5.197 10.893 1.00 0.00 C ATOM 4 O ALA A 1 -13.170 -5.707 9.807 1.00 0.00 O ATOM 5 CB ALA A 1 -12.608 -5.398 13.412 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.743 -7.268 12.255 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.745 -6.313 10.850 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.413 -5.605 12.357 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.960 -6.989 12.043 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.670 -5.195 13.551 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.259 -6.064 14.201 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.051 -4.462 13.455 1.00 0.00 H new ATOM 11 N ALA A 2 -12.999 -3.905 11.163 1.00 0.00 N ATOM 12 CA ALA A 2 -13.467 -2.965 10.157 1.00 0.00 C ATOM 13 C ALA A 2 -12.415 -1.875 9.957 1.00 0.00 C ATOM 14 O ALA A 2 -12.754 -0.705 9.778 1.00 0.00 O ATOM 15 CB ALA A 2 -14.823 -2.398 10.580 1.00 0.00 C ATOM 0 H ALA A 2 -12.769 -3.486 12.064 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.608 -3.466 9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.174 -1.693 9.826 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.542 -3.211 10.680 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.721 -1.885 11.536 1.00 0.00 H new ATOM 21 N PRO A 3 -11.126 -2.306 9.992 1.00 0.00 N ATOM 22 CA PRO A 3 -10.020 -1.377 9.817 1.00 0.00 C ATOM 23 C PRO A 3 -9.879 -0.966 8.350 1.00 0.00 C ATOM 24 O PRO A 3 -8.798 -1.076 7.773 1.00 0.00 O ATOM 25 CB PRO A 3 -8.801 -2.112 10.348 1.00 0.00 C ATOM 26 CG PRO A 3 -9.179 -3.585 10.373 1.00 0.00 C ATOM 27 CD PRO A 3 -10.686 -3.682 10.200 1.00 0.00 C ATOM 0 HA PRO A 3 -10.167 -0.440 10.354 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.934 -1.942 9.710 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.536 -1.760 11.345 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.668 -4.124 9.575 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.872 -4.042 11.314 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.947 -4.314 9.351 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.158 -4.120 11.080 1.00 0.00 H new ATOM 35 N THR A 4 -10.985 -0.500 7.789 1.00 0.00 N ATOM 36 CA THR A 4 -10.997 -0.072 6.402 1.00 0.00 C ATOM 37 C THR A 4 -10.305 -1.110 5.517 1.00 0.00 C ATOM 38 O THR A 4 -10.679 -2.282 5.519 1.00 0.00 O ATOM 39 CB THR A 4 -10.353 1.314 6.328 1.00 0.00 C ATOM 40 OG1 THR A 4 -9.051 1.122 6.873 1.00 0.00 O ATOM 41 CG2 THR A 4 -11.010 2.316 7.279 1.00 0.00 C ATOM 0 H THR A 4 -11.879 -0.410 8.271 1.00 0.00 H new ATOM 0 HA THR A 4 -12.016 0.006 6.022 1.00 0.00 H new ATOM 0 HB THR A 4 -10.415 1.688 5.306 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.831 0.167 6.866 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.516 3.283 7.187 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.064 2.422 7.024 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.919 1.958 8.304 1.00 0.00 H new ATOM 49 N ALA A 5 -9.307 -0.642 4.781 1.00 0.00 N ATOM 50 CA ALA A 5 -8.559 -1.517 3.893 1.00 0.00 C ATOM 51 C ALA A 5 -7.473 -2.239 4.691 1.00 0.00 C ATOM 52 O ALA A 5 -6.626 -1.599 5.314 1.00 0.00 O ATOM 53 CB ALA A 5 -7.984 -0.698 2.734 1.00 0.00 C ATOM 0 H ALA A 5 -8.999 0.330 4.781 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.212 -2.277 3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.423 -1.354 2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.798 -0.229 2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.321 0.073 3.127 1.00 0.00 H new ATOM 59 N THR A 6 -7.531 -3.563 4.647 1.00 0.00 N ATOM 60 CA THR A 6 -6.561 -4.378 5.358 1.00 0.00 C ATOM 61 C THR A 6 -6.231 -5.636 4.554 1.00 0.00 C ATOM 62 O THR A 6 -7.088 -6.173 3.854 1.00 0.00 O ATOM 63 CB THR A 6 -7.124 -4.676 6.749 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.530 -4.779 6.539 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.977 -3.491 7.706 1.00 0.00 C ATOM 0 H THR A 6 -8.234 -4.091 4.130 1.00 0.00 H new ATOM 0 HA THR A 6 -5.615 -3.851 5.480 1.00 0.00 H new ATOM 0 HB THR A 6 -6.617 -5.546 7.167 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.975 -4.973 7.391 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.392 -3.755 8.679 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.922 -3.242 7.817 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.512 -2.631 7.305 1.00 0.00 H new ATOM 73 N VAL A 7 -4.986 -6.073 4.682 1.00 0.00 N ATOM 74 CA VAL A 7 -4.532 -7.258 3.976 1.00 0.00 C ATOM 75 C VAL A 7 -4.831 -8.497 4.823 1.00 0.00 C ATOM 76 O VAL A 7 -4.275 -8.660 5.910 1.00 0.00 O ATOM 77 CB VAL A 7 -3.051 -7.122 3.622 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.373 -8.491 3.558 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.872 -6.360 2.307 1.00 0.00 C ATOM 0 H VAL A 7 -4.278 -5.627 5.265 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.069 -7.369 3.034 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.569 -6.548 4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.321 -8.364 3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.456 -8.984 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.858 -9.102 2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.810 -6.276 2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.376 -6.897 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.302 -5.363 2.403 1.00 0.00 H new ATOM 89 N THR A 8 -5.707 -9.339 4.296 1.00 0.00 N ATOM 90 CA THR A 8 -6.088 -10.558 4.990 1.00 0.00 C ATOM 91 C THR A 8 -4.873 -11.172 5.690 1.00 0.00 C ATOM 92 O THR A 8 -4.836 -11.258 6.917 1.00 0.00 O ATOM 93 CB THR A 8 -6.741 -11.496 3.975 1.00 0.00 C ATOM 94 OG1 THR A 8 -8.139 -11.327 4.197 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.489 -12.972 4.293 1.00 0.00 C ATOM 0 H THR A 8 -6.165 -9.201 3.395 1.00 0.00 H new ATOM 0 HA THR A 8 -6.813 -10.355 5.779 1.00 0.00 H new ATOM 0 HB THR A 8 -6.364 -11.271 2.978 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.640 -11.899 3.578 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.975 -13.594 3.541 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.417 -13.167 4.288 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.896 -13.207 5.276 1.00 0.00 H new ATOM 103 N PRO A 9 -3.883 -11.596 4.859 1.00 0.00 N ATOM 104 CA PRO A 9 -2.672 -12.200 5.386 1.00 0.00 C ATOM 105 C PRO A 9 -1.752 -11.142 5.997 1.00 0.00 C ATOM 106 O PRO A 9 -2.214 -10.080 6.413 1.00 0.00 O ATOM 107 CB PRO A 9 -2.045 -12.919 4.202 1.00 0.00 C ATOM 108 CG PRO A 9 -2.677 -12.309 2.961 1.00 0.00 C ATOM 109 CD PRO A 9 -3.891 -11.510 3.402 1.00 0.00 C ATOM 0 HA PRO A 9 -2.870 -12.897 6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.963 -12.788 4.194 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.236 -13.991 4.251 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.963 -11.666 2.446 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.968 -13.089 2.258 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.827 -10.475 3.066 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.810 -11.924 2.986 1.00 0.00 H new ATOM 117 N SER A 10 -0.467 -11.468 6.032 1.00 0.00 N ATOM 118 CA SER A 10 0.521 -10.558 6.586 1.00 0.00 C ATOM 119 C SER A 10 1.320 -9.904 5.458 1.00 0.00 C ATOM 120 O SER A 10 1.865 -8.814 5.629 1.00 0.00 O ATOM 121 CB SER A 10 1.461 -11.285 7.550 1.00 0.00 C ATOM 122 OG SER A 10 2.250 -12.267 6.884 1.00 0.00 O ATOM 0 H SER A 10 -0.088 -12.349 5.686 1.00 0.00 H new ATOM 0 HA SER A 10 -0.003 -9.785 7.147 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.116 -10.560 8.034 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.876 -11.762 8.337 1.00 0.00 H new ATOM 0 HG SER A 10 1.668 -12.849 6.352 1.00 0.00 H new ATOM 128 N SER A 11 1.366 -10.596 4.329 1.00 0.00 N ATOM 129 CA SER A 11 2.089 -10.096 3.171 1.00 0.00 C ATOM 130 C SER A 11 3.491 -9.646 3.587 1.00 0.00 C ATOM 131 O SER A 11 3.860 -9.748 4.757 1.00 0.00 O ATOM 132 CB SER A 11 1.336 -8.942 2.509 1.00 0.00 C ATOM 133 OG SER A 11 0.824 -9.306 1.228 1.00 0.00 O ATOM 0 H SER A 11 0.914 -11.500 4.191 1.00 0.00 H new ATOM 0 HA SER A 11 2.173 -10.903 2.444 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.514 -8.628 3.153 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.003 -8.086 2.404 1.00 0.00 H new ATOM 0 HG SER A 11 1.092 -10.225 1.017 1.00 0.00 H new ATOM 139 N GLY A 12 4.235 -9.157 2.606 1.00 0.00 N ATOM 140 CA GLY A 12 5.588 -8.691 2.855 1.00 0.00 C ATOM 141 C GLY A 12 6.570 -9.863 2.916 1.00 0.00 C ATOM 142 O GLY A 12 7.636 -9.818 2.305 1.00 0.00 O ATOM 0 H GLY A 12 3.926 -9.073 1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.889 -8.000 2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.619 -8.137 3.793 1.00 0.00 H new ATOM 146 N LEU A 13 6.174 -10.886 3.660 1.00 0.00 N ATOM 147 CA LEU A 13 7.006 -12.069 3.809 1.00 0.00 C ATOM 148 C LEU A 13 7.593 -12.449 2.449 1.00 0.00 C ATOM 149 O LEU A 13 8.719 -12.938 2.371 1.00 0.00 O ATOM 150 CB LEU A 13 6.215 -13.197 4.475 1.00 0.00 C ATOM 151 CG LEU A 13 4.812 -13.450 3.923 1.00 0.00 C ATOM 152 CD1 LEU A 13 4.689 -14.870 3.365 1.00 0.00 C ATOM 153 CD2 LEU A 13 3.745 -13.157 4.979 1.00 0.00 C ATOM 0 H LEU A 13 5.289 -10.920 4.166 1.00 0.00 H new ATOM 0 HA LEU A 13 7.846 -11.864 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.790 -14.119 4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.131 -12.975 5.539 1.00 0.00 H new ATOM 0 HG LEU A 13 4.643 -12.762 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.681 -15.023 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.411 -15.008 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.887 -15.591 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.757 -13.345 4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.901 -13.803 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.815 -12.114 5.288 1.00 0.00 H new ATOM 165 N SER A 14 6.804 -12.210 1.412 1.00 0.00 N ATOM 166 CA SER A 14 7.232 -12.522 0.058 1.00 0.00 C ATOM 167 C SER A 14 7.031 -11.305 -0.846 1.00 0.00 C ATOM 168 O SER A 14 5.903 -10.861 -1.057 1.00 0.00 O ATOM 169 CB SER A 14 6.471 -13.728 -0.496 1.00 0.00 C ATOM 170 OG SER A 14 7.349 -14.785 -0.874 1.00 0.00 O ATOM 0 H SER A 14 5.871 -11.804 1.482 1.00 0.00 H new ATOM 0 HA SER A 14 8.291 -12.777 0.083 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.769 -14.090 0.255 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.882 -13.420 -1.360 1.00 0.00 H new ATOM 0 HG SER A 14 6.825 -15.537 -1.221 1.00 0.00 H new ATOM 176 N ASP A 15 8.143 -10.799 -1.359 1.00 0.00 N ATOM 177 CA ASP A 15 8.104 -9.641 -2.239 1.00 0.00 C ATOM 178 C ASP A 15 7.240 -9.963 -3.459 1.00 0.00 C ATOM 179 O ASP A 15 7.763 -10.252 -4.534 1.00 0.00 O ATOM 180 CB ASP A 15 9.505 -9.277 -2.733 1.00 0.00 C ATOM 181 CG ASP A 15 10.268 -10.416 -3.412 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.800 -10.164 -4.515 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.299 -11.513 -2.815 1.00 0.00 O ATOM 0 H ASP A 15 9.077 -11.169 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 15 7.692 -8.803 -1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.422 -8.447 -3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.091 -8.921 -1.886 1.00 0.00 H new ATOM 189 N GLY A 16 5.933 -9.901 -3.253 1.00 0.00 N ATOM 190 CA GLY A 16 4.991 -10.182 -4.323 1.00 0.00 C ATOM 191 C GLY A 16 3.959 -11.224 -3.887 1.00 0.00 C ATOM 192 O GLY A 16 3.599 -12.110 -4.662 1.00 0.00 O ATOM 0 H GLY A 16 5.504 -9.660 -2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.483 -9.263 -4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.529 -10.543 -5.200 1.00 0.00 H new ATOM 196 N THR A 17 3.514 -11.086 -2.648 1.00 0.00 N ATOM 197 CA THR A 17 2.530 -12.005 -2.100 1.00 0.00 C ATOM 198 C THR A 17 1.114 -11.523 -2.419 1.00 0.00 C ATOM 199 O THR A 17 0.733 -10.412 -2.051 1.00 0.00 O ATOM 200 CB THR A 17 2.799 -12.145 -0.599 1.00 0.00 C ATOM 201 OG1 THR A 17 4.192 -12.443 -0.524 1.00 0.00 O ATOM 202 CG2 THR A 17 2.121 -13.377 0.004 1.00 0.00 C ATOM 0 H THR A 17 3.816 -10.352 -2.007 1.00 0.00 H new ATOM 0 HA THR A 17 2.614 -12.992 -2.555 1.00 0.00 H new ATOM 0 HB THR A 17 2.452 -11.250 -0.082 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.701 -11.610 -0.437 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.343 -13.430 1.070 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.043 -13.305 -0.139 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.493 -14.275 -0.489 1.00 0.00 H new ATOM 210 N VAL A 18 0.371 -12.382 -3.101 1.00 0.00 N ATOM 211 CA VAL A 18 -0.995 -12.058 -3.475 1.00 0.00 C ATOM 212 C VAL A 18 -1.891 -12.141 -2.238 1.00 0.00 C ATOM 213 O VAL A 18 -1.966 -13.184 -1.590 1.00 0.00 O ATOM 214 CB VAL A 18 -1.457 -12.973 -4.610 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.527 -12.289 -5.465 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.275 -13.422 -5.468 1.00 0.00 C ATOM 0 H VAL A 18 0.689 -13.302 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.056 -11.037 -3.853 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.903 -13.862 -4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.838 -12.961 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.387 -12.043 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.118 -11.376 -5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.632 -14.071 -6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.213 -12.549 -5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.438 -13.967 -4.849 1.00 0.00 H new ATOM 226 N VAL A 19 -2.550 -11.029 -1.949 1.00 0.00 N ATOM 227 CA VAL A 19 -3.438 -10.962 -0.801 1.00 0.00 C ATOM 228 C VAL A 19 -4.729 -10.247 -1.200 1.00 0.00 C ATOM 229 O VAL A 19 -4.854 -9.768 -2.326 1.00 0.00 O ATOM 230 CB VAL A 19 -2.724 -10.293 0.376 1.00 0.00 C ATOM 231 CG1 VAL A 19 -1.242 -10.673 0.406 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.899 -8.774 0.331 1.00 0.00 C ATOM 0 H VAL A 19 -2.487 -10.167 -2.490 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.710 -11.965 -0.472 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.182 -10.656 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.758 -10.184 1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.146 -11.754 0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.765 -10.352 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.382 -8.323 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.480 -8.387 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.960 -8.528 0.381 1.00 0.00 H new ATOM 242 N LYS A 20 -5.659 -10.198 -0.257 1.00 0.00 N ATOM 243 CA LYS A 20 -6.936 -9.549 -0.497 1.00 0.00 C ATOM 244 C LYS A 20 -7.101 -8.379 0.475 1.00 0.00 C ATOM 245 O LYS A 20 -7.164 -8.579 1.687 1.00 0.00 O ATOM 246 CB LYS A 20 -8.076 -10.568 -0.430 1.00 0.00 C ATOM 247 CG LYS A 20 -9.323 -10.044 -1.145 1.00 0.00 C ATOM 248 CD LYS A 20 -10.239 -11.197 -1.563 1.00 0.00 C ATOM 249 CE LYS A 20 -11.209 -11.565 -0.438 1.00 0.00 C ATOM 250 NZ LYS A 20 -11.004 -12.970 -0.018 1.00 0.00 N ATOM 0 H LYS A 20 -5.553 -10.598 0.675 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.968 -9.134 -1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.758 -11.505 -0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.314 -10.785 0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.865 -9.364 -0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.029 -9.471 -2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.800 -10.915 -2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.637 -12.066 -1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.059 -10.899 0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.236 -11.426 -0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.670 -13.205 0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.169 -13.602 -0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.029 -13.092 0.323 1.00 0.00 H new ATOM 264 N VAL A 21 -7.163 -7.184 -0.093 1.00 0.00 N ATOM 265 CA VAL A 21 -7.318 -5.982 0.707 1.00 0.00 C ATOM 266 C VAL A 21 -8.807 -5.674 0.874 1.00 0.00 C ATOM 267 O VAL A 21 -9.434 -5.120 -0.027 1.00 0.00 O ATOM 268 CB VAL A 21 -6.536 -4.827 0.077 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.792 -3.518 0.826 1.00 0.00 C ATOM 270 CG2 VAL A 21 -5.041 -5.145 0.021 1.00 0.00 C ATOM 0 H VAL A 21 -7.109 -7.023 -1.099 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.903 -6.132 1.704 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.890 -4.701 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.224 -2.714 0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.855 -3.280 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.479 -3.626 1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.508 -4.309 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.666 -5.311 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.882 -6.042 -0.577 1.00 0.00 H new ATOM 280 N ALA A 22 -9.330 -6.047 2.033 1.00 0.00 N ATOM 281 CA ALA A 22 -10.734 -5.818 2.330 1.00 0.00 C ATOM 282 C ALA A 22 -10.899 -4.431 2.955 1.00 0.00 C ATOM 283 O ALA A 22 -10.267 -4.121 3.962 1.00 0.00 O ATOM 284 CB ALA A 22 -11.253 -6.933 3.241 1.00 0.00 C ATOM 0 H ALA A 22 -8.806 -6.507 2.778 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.328 -5.841 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.306 -6.761 3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.141 -7.894 2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.682 -6.939 4.170 1.00 0.00 H new ATOM 290 N GLY A 23 -11.753 -3.634 2.329 1.00 0.00 N ATOM 291 CA GLY A 23 -12.008 -2.286 2.813 1.00 0.00 C ATOM 292 C GLY A 23 -13.352 -2.211 3.539 1.00 0.00 C ATOM 293 O GLY A 23 -14.407 -2.257 2.907 1.00 0.00 O ATOM 0 H GLY A 23 -12.276 -3.894 1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.208 -1.980 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.003 -1.588 1.976 1.00 0.00 H new ATOM 297 N ALA A 24 -13.271 -2.095 4.855 1.00 0.00 N ATOM 298 CA ALA A 24 -14.469 -2.012 5.675 1.00 0.00 C ATOM 299 C ALA A 24 -14.672 -0.566 6.131 1.00 0.00 C ATOM 300 O ALA A 24 -14.044 -0.122 7.092 1.00 0.00 O ATOM 301 CB ALA A 24 -14.352 -2.984 6.850 1.00 0.00 C ATOM 0 H ALA A 24 -12.395 -2.056 5.375 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.348 -2.301 5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.250 -2.922 7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.241 -4.000 6.472 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.482 -2.724 7.452 1.00 0.00 H new ATOM 307 N GLY A 25 -15.546 0.129 5.421 1.00 0.00 N ATOM 308 CA GLY A 25 -15.839 1.516 5.741 1.00 0.00 C ATOM 309 C GLY A 25 -14.739 2.442 5.219 1.00 0.00 C ATOM 310 O GLY A 25 -14.353 3.396 5.894 1.00 0.00 O ATOM 0 H GLY A 25 -16.062 -0.242 4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.796 1.800 5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.935 1.632 6.821 1.00 0.00 H new ATOM 314 N LEU A 26 -14.263 2.128 4.022 1.00 0.00 N ATOM 315 CA LEU A 26 -13.215 2.923 3.403 1.00 0.00 C ATOM 316 C LEU A 26 -13.848 4.053 2.592 1.00 0.00 C ATOM 317 O LEU A 26 -14.595 4.866 3.134 1.00 0.00 O ATOM 318 CB LEU A 26 -12.281 2.028 2.586 1.00 0.00 C ATOM 319 CG LEU A 26 -10.972 2.672 2.121 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.764 4.031 2.790 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.788 1.732 2.344 1.00 0.00 C ATOM 0 H LEU A 26 -14.583 1.335 3.465 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.590 3.390 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.038 1.149 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.823 1.677 1.707 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.040 2.850 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.827 4.468 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.591 4.693 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.726 3.902 3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.871 2.215 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.704 1.498 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.943 0.812 1.781 1.00 0.00 H new ATOM 333 N GLN A 27 -13.528 4.069 1.307 1.00 0.00 N ATOM 334 CA GLN A 27 -14.057 5.087 0.416 1.00 0.00 C ATOM 335 C GLN A 27 -15.517 5.387 0.760 1.00 0.00 C ATOM 336 O GLN A 27 -16.000 6.493 0.520 1.00 0.00 O ATOM 337 CB GLN A 27 -13.915 4.662 -1.048 1.00 0.00 C ATOM 338 CG GLN A 27 -12.443 4.611 -1.463 1.00 0.00 C ATOM 339 CD GLN A 27 -11.747 5.945 -1.184 1.00 0.00 C ATOM 340 OE1 GLN A 27 -11.794 6.801 -2.200 1.00 0.00 O flip ATOM 341 NE2 GLN A 27 -11.204 6.182 -0.117 1.00 0.00 N flip ATOM 0 H GLN A 27 -12.908 3.393 0.861 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.477 5.999 0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.371 3.683 -1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.453 5.362 -1.688 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.936 3.812 -0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.369 4.373 -2.524 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.204 5.480 0.623 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.750 7.083 0.035 1.00 0.00 H new ATOM 350 N ALA A 28 -16.179 4.384 1.316 1.00 0.00 N ATOM 351 CA ALA A 28 -17.575 4.525 1.695 1.00 0.00 C ATOM 352 C ALA A 28 -18.410 4.809 0.447 1.00 0.00 C ATOM 353 O ALA A 28 -19.478 5.418 0.535 1.00 0.00 O ATOM 354 CB ALA A 28 -17.707 5.628 2.749 1.00 0.00 C ATOM 0 H ALA A 28 -15.774 3.469 1.514 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.949 3.602 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.753 5.735 3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.117 5.365 3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.345 6.570 2.337 1.00 0.00 H new ATOM 360 N GLY A 29 -17.897 4.355 -0.687 1.00 0.00 N ATOM 361 CA GLY A 29 -18.585 4.553 -1.952 1.00 0.00 C ATOM 362 C GLY A 29 -17.674 5.249 -2.968 1.00 0.00 C ATOM 363 O GLY A 29 -17.963 5.252 -4.164 1.00 0.00 O ATOM 0 H GLY A 29 -17.013 3.851 -0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.910 3.591 -2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.482 5.151 -1.793 1.00 0.00 H new ATOM 367 N THR A 30 -16.596 5.820 -2.454 1.00 0.00 N ATOM 368 CA THR A 30 -15.642 6.516 -3.300 1.00 0.00 C ATOM 369 C THR A 30 -14.655 5.524 -3.920 1.00 0.00 C ATOM 370 O THR A 30 -14.879 4.317 -3.881 1.00 0.00 O ATOM 371 CB THR A 30 -14.967 7.602 -2.459 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.900 7.864 -1.416 1.00 0.00 O ATOM 373 CG2 THR A 30 -14.854 8.934 -3.203 1.00 0.00 C ATOM 0 H THR A 30 -16.361 5.815 -1.461 1.00 0.00 H new ATOM 0 HA THR A 30 -16.139 6.999 -4.141 1.00 0.00 H new ATOM 0 HB THR A 30 -13.973 7.266 -2.164 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.618 7.399 -0.600 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.368 9.669 -2.561 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.263 8.796 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.850 9.287 -3.470 1.00 0.00 H new ATOM 381 N ALA A 31 -13.585 6.074 -4.476 1.00 0.00 N ATOM 382 CA ALA A 31 -12.563 5.251 -5.103 1.00 0.00 C ATOM 383 C ALA A 31 -11.211 5.958 -4.995 1.00 0.00 C ATOM 384 O ALA A 31 -11.146 7.188 -4.997 1.00 0.00 O ATOM 385 CB ALA A 31 -12.958 4.965 -6.553 1.00 0.00 C ATOM 0 H ALA A 31 -13.403 7.077 -4.506 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.475 4.291 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.192 4.348 -7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.912 4.438 -6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.052 5.905 -7.097 1.00 0.00 H new ATOM 391 N TYR A 32 -10.164 5.152 -4.904 1.00 0.00 N ATOM 392 CA TYR A 32 -8.817 5.684 -4.798 1.00 0.00 C ATOM 393 C TYR A 32 -7.797 4.729 -5.421 1.00 0.00 C ATOM 394 O TYR A 32 -8.173 3.739 -6.048 1.00 0.00 O ATOM 395 CB TYR A 32 -8.530 5.808 -3.299 1.00 0.00 C ATOM 396 CG TYR A 32 -9.045 7.107 -2.674 1.00 0.00 C ATOM 397 CD1 TYR A 32 -9.296 8.205 -3.472 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.258 7.181 -1.312 1.00 0.00 C ATOM 399 CE1 TYR A 32 -9.781 9.427 -2.884 1.00 0.00 C ATOM 400 CE2 TYR A 32 -9.743 8.401 -0.725 1.00 0.00 C ATOM 401 CZ TYR A 32 -9.981 9.465 -1.538 1.00 0.00 C ATOM 402 OH TYR A 32 -10.438 10.619 -0.983 1.00 0.00 O ATOM 0 H TYR A 32 -10.222 4.134 -4.902 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.740 6.637 -5.321 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.983 4.963 -2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.454 5.741 -3.138 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.129 8.148 -4.537 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.060 6.323 -0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.981 10.293 -3.497 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.915 8.471 0.339 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.535 10.501 -0.015 1.00 0.00 H new ATOM 412 N ASP A 33 -6.528 5.057 -5.226 1.00 0.00 N ATOM 413 CA ASP A 33 -5.454 4.241 -5.763 1.00 0.00 C ATOM 414 C ASP A 33 -4.885 3.358 -4.648 1.00 0.00 C ATOM 415 O ASP A 33 -4.290 3.860 -3.695 1.00 0.00 O ATOM 416 CB ASP A 33 -4.315 5.111 -6.300 1.00 0.00 C ATOM 417 CG ASP A 33 -3.868 4.783 -7.725 1.00 0.00 C ATOM 418 OD1 ASP A 33 -3.207 5.656 -8.329 1.00 0.00 O ATOM 419 OD2 ASP A 33 -4.197 3.665 -8.180 1.00 0.00 O ATOM 0 H ASP A 33 -6.220 5.877 -4.703 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.862 3.639 -6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.627 6.155 -6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.457 5.012 -5.634 1.00 0.00 H new ATOM 425 N VAL A 34 -5.091 2.058 -4.805 1.00 0.00 N ATOM 426 CA VAL A 34 -4.608 1.101 -3.825 1.00 0.00 C ATOM 427 C VAL A 34 -3.131 0.808 -4.089 1.00 0.00 C ATOM 428 O VAL A 34 -2.715 0.684 -5.241 1.00 0.00 O ATOM 429 CB VAL A 34 -5.480 -0.156 -3.846 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.681 -1.370 -4.324 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.103 -0.414 -2.472 1.00 0.00 C ATOM 0 H VAL A 34 -5.586 1.646 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.682 1.515 -2.819 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.291 0.010 -4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.324 -2.250 -4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.309 -1.187 -5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.840 -1.540 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.718 -1.313 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.313 -0.549 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.723 0.436 -2.188 1.00 0.00 H new ATOM 441 N GLY A 35 -2.375 0.703 -3.005 1.00 0.00 N ATOM 442 CA GLY A 35 -0.953 0.426 -3.107 1.00 0.00 C ATOM 443 C GLY A 35 -0.272 0.552 -1.742 1.00 0.00 C ATOM 444 O GLY A 35 -0.809 1.181 -0.831 1.00 0.00 O ATOM 0 H GLY A 35 -2.722 0.805 -2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.802 -0.579 -3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.493 1.118 -3.812 1.00 0.00 H new ATOM 448 N GLN A 36 0.900 -0.057 -1.643 1.00 0.00 N ATOM 449 CA GLN A 36 1.660 -0.023 -0.405 1.00 0.00 C ATOM 450 C GLN A 36 2.633 1.158 -0.412 1.00 0.00 C ATOM 451 O GLN A 36 3.689 1.095 -1.038 1.00 0.00 O ATOM 452 CB GLN A 36 2.403 -1.342 -0.181 1.00 0.00 C ATOM 453 CG GLN A 36 3.555 -1.497 -1.176 1.00 0.00 C ATOM 454 CD GLN A 36 3.559 -2.897 -1.795 1.00 0.00 C ATOM 455 OE1 GLN A 36 3.023 -3.847 -1.251 1.00 0.00 O ATOM 456 NE2 GLN A 36 4.193 -2.970 -2.963 1.00 0.00 N ATOM 0 H GLN A 36 1.342 -0.577 -2.401 1.00 0.00 H new ATOM 0 HA GLN A 36 0.963 0.109 0.422 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.790 -1.377 0.837 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.710 -2.177 -0.288 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.465 -0.748 -1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.504 -1.316 -0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.621 -2.135 -3.364 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.251 -3.860 -3.457 1.00 0.00 H new ATOM 465 N CYS A 37 2.238 2.209 0.292 1.00 0.00 N ATOM 466 CA CYS A 37 3.062 3.406 0.375 1.00 0.00 C ATOM 467 C CYS A 37 3.688 3.461 1.770 1.00 0.00 C ATOM 468 O CYS A 37 3.135 2.917 2.725 1.00 0.00 O ATOM 469 CB CYS A 37 2.257 4.668 0.059 1.00 0.00 C ATOM 470 SG CYS A 37 3.240 6.052 -0.626 1.00 0.00 S ATOM 0 H CYS A 37 1.360 2.258 0.810 1.00 0.00 H new ATOM 0 HA CYS A 37 3.852 3.361 -0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.471 4.412 -0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.765 5.006 0.971 1.00 0.00 H new ATOM 475 N ALA A 38 4.834 4.122 1.843 1.00 0.00 N ATOM 476 CA ALA A 38 5.541 4.257 3.104 1.00 0.00 C ATOM 477 C ALA A 38 6.815 5.074 2.886 1.00 0.00 C ATOM 478 O ALA A 38 7.298 5.186 1.762 1.00 0.00 O ATOM 479 CB ALA A 38 5.833 2.867 3.675 1.00 0.00 C ATOM 0 H ALA A 38 5.290 4.570 1.048 1.00 0.00 H new ATOM 0 HA ALA A 38 4.929 4.789 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.364 2.967 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.895 2.337 3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.448 2.307 2.971 1.00 0.00 H new ATOM 485 N TRP A 39 7.319 5.627 3.979 1.00 0.00 N ATOM 486 CA TRP A 39 8.528 6.433 3.921 1.00 0.00 C ATOM 487 C TRP A 39 9.696 5.509 3.572 1.00 0.00 C ATOM 488 O TRP A 39 10.076 4.653 4.371 1.00 0.00 O ATOM 489 CB TRP A 39 8.740 7.198 5.229 1.00 0.00 C ATOM 490 CG TRP A 39 7.571 8.108 5.615 1.00 0.00 C ATOM 491 CD1 TRP A 39 7.402 9.402 5.318 1.00 0.00 C ATOM 492 CD2 TRP A 39 6.409 7.734 6.386 1.00 0.00 C ATOM 493 NE1 TRP A 39 6.220 9.890 5.841 1.00 0.00 N ATOM 494 CE2 TRP A 39 5.598 8.843 6.511 1.00 0.00 C ATOM 495 CE3 TRP A 39 6.058 6.499 6.960 1.00 0.00 C ATOM 496 CZ2 TRP A 39 4.382 8.830 7.203 1.00 0.00 C ATOM 497 CZ3 TRP A 39 4.838 6.502 7.649 1.00 0.00 C ATOM 498 CH2 TRP A 39 4.009 7.609 7.782 1.00 0.00 C ATOM 0 H TRP A 39 6.913 5.533 4.910 1.00 0.00 H new ATOM 0 HA TRP A 39 8.446 7.197 3.148 1.00 0.00 H new ATOM 0 HB2 TRP A 39 8.911 6.482 6.033 1.00 0.00 H new ATOM 0 HB3 TRP A 39 9.644 7.801 5.143 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.101 9.990 4.742 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.868 10.843 5.752 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.679 5.619 6.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.765 9.712 7.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 4.519 5.578 8.109 1.00 0.00 H new ATOM 0 HH2 TRP A 39 3.081 7.529 8.329 1.00 0.00 H new ATOM 509 N VAL A 40 10.233 5.713 2.378 1.00 0.00 N ATOM 510 CA VAL A 40 11.352 4.909 1.915 1.00 0.00 C ATOM 511 C VAL A 40 12.646 5.712 2.061 1.00 0.00 C ATOM 512 O VAL A 40 13.628 5.216 2.611 1.00 0.00 O ATOM 513 CB VAL A 40 11.098 4.439 0.481 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.690 5.421 -0.531 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.647 3.026 0.261 1.00 0.00 C ATOM 0 H VAL A 40 9.915 6.422 1.718 1.00 0.00 H new ATOM 0 HA VAL A 40 11.457 4.011 2.524 1.00 0.00 H new ATOM 0 HB VAL A 40 10.020 4.407 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.495 5.063 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.231 6.401 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.766 5.500 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.453 2.716 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.721 3.020 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.158 2.335 0.947 1.00 0.00 H new ATOM 525 N ASP A 41 12.607 6.936 1.555 1.00 0.00 N ATOM 526 CA ASP A 41 13.764 7.811 1.623 1.00 0.00 C ATOM 527 C ASP A 41 13.694 8.646 2.902 1.00 0.00 C ATOM 528 O ASP A 41 12.671 8.658 3.584 1.00 0.00 O ATOM 529 CB ASP A 41 13.798 8.771 0.433 1.00 0.00 C ATOM 530 CG ASP A 41 14.613 10.048 0.655 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.806 9.907 0.999 1.00 0.00 O ATOM 532 OD2 ASP A 41 14.023 11.135 0.476 1.00 0.00 O ATOM 0 H ASP A 41 11.792 7.342 1.096 1.00 0.00 H new ATOM 0 HA ASP A 41 14.658 7.188 1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.206 8.243 -0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.775 9.050 0.181 1.00 0.00 H new ATOM 538 N THR A 42 14.797 9.322 3.192 1.00 0.00 N ATOM 539 CA THR A 42 14.872 10.158 4.377 1.00 0.00 C ATOM 540 C THR A 42 13.520 10.819 4.652 1.00 0.00 C ATOM 541 O THR A 42 13.158 11.796 3.998 1.00 0.00 O ATOM 542 CB THR A 42 16.009 11.161 4.176 1.00 0.00 C ATOM 543 OG1 THR A 42 16.401 11.512 5.501 1.00 0.00 O ATOM 544 CG2 THR A 42 15.526 12.481 3.568 1.00 0.00 C ATOM 0 H THR A 42 15.645 9.307 2.626 1.00 0.00 H new ATOM 0 HA THR A 42 15.094 9.566 5.265 1.00 0.00 H new ATOM 0 HB THR A 42 16.770 10.722 3.531 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.136 12.159 5.464 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.372 13.157 3.447 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.072 12.289 2.596 1.00 0.00 H new ATOM 0 HG23 THR A 42 14.789 12.938 4.229 1.00 0.00 H new ATOM 552 N GLY A 43 12.810 10.259 5.620 1.00 0.00 N ATOM 553 CA GLY A 43 11.505 10.782 5.990 1.00 0.00 C ATOM 554 C GLY A 43 10.711 11.202 4.751 1.00 0.00 C ATOM 555 O GLY A 43 9.845 12.071 4.830 1.00 0.00 O ATOM 0 H GLY A 43 13.113 9.448 6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.949 10.025 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.627 11.637 6.655 1.00 0.00 H new ATOM 559 N VAL A 44 11.036 10.562 3.635 1.00 0.00 N ATOM 560 CA VAL A 44 10.364 10.858 2.381 1.00 0.00 C ATOM 561 C VAL A 44 9.330 9.768 2.093 1.00 0.00 C ATOM 562 O VAL A 44 9.670 8.588 2.021 1.00 0.00 O ATOM 563 CB VAL A 44 11.394 11.017 1.261 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.811 10.585 -0.085 1.00 0.00 C ATOM 565 CG2 VAL A 44 11.916 12.453 1.197 1.00 0.00 C ATOM 0 H VAL A 44 11.755 9.841 3.574 1.00 0.00 H new ATOM 0 HA VAL A 44 9.828 11.805 2.448 1.00 0.00 H new ATOM 0 HB VAL A 44 12.237 10.364 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.564 10.708 -0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.511 9.538 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.942 11.200 -0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.647 12.539 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.086 13.134 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.388 12.711 2.145 1.00 0.00 H new ATOM 575 N LEU A 45 8.090 10.204 1.935 1.00 0.00 N ATOM 576 CA LEU A 45 7.002 9.279 1.655 1.00 0.00 C ATOM 577 C LEU A 45 7.095 8.815 0.201 1.00 0.00 C ATOM 578 O LEU A 45 6.843 9.589 -0.719 1.00 0.00 O ATOM 579 CB LEU A 45 5.656 9.911 2.015 1.00 0.00 C ATOM 580 CG LEU A 45 4.542 8.939 2.407 1.00 0.00 C ATOM 581 CD1 LEU A 45 3.846 8.373 1.170 1.00 0.00 C ATOM 582 CD2 LEU A 45 5.078 7.834 3.321 1.00 0.00 C ATOM 0 H LEU A 45 7.813 11.184 1.995 1.00 0.00 H new ATOM 0 HA LEU A 45 7.087 8.390 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.812 10.605 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.314 10.500 1.164 1.00 0.00 H new ATOM 0 HG LEU A 45 3.790 9.490 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.059 7.685 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.410 9.188 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.572 7.841 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.267 7.156 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.860 7.280 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.489 8.279 4.227 1.00 0.00 H new ATOM 594 N ALA A 46 7.459 7.552 0.039 1.00 0.00 N ATOM 595 CA ALA A 46 7.588 6.974 -1.288 1.00 0.00 C ATOM 596 C ALA A 46 6.653 5.771 -1.411 1.00 0.00 C ATOM 597 O ALA A 46 6.492 5.006 -0.461 1.00 0.00 O ATOM 598 CB ALA A 46 9.051 6.603 -1.543 1.00 0.00 C ATOM 0 H ALA A 46 7.669 6.912 0.805 1.00 0.00 H new ATOM 0 HA ALA A 46 7.296 7.697 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.148 6.169 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.670 7.497 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.378 5.878 -0.798 1.00 0.00 H new ATOM 604 N CYS A 47 6.059 5.638 -2.587 1.00 0.00 N ATOM 605 CA CYS A 47 5.143 4.543 -2.845 1.00 0.00 C ATOM 606 C CYS A 47 5.857 3.518 -3.729 1.00 0.00 C ATOM 607 O CYS A 47 6.829 3.846 -4.407 1.00 0.00 O ATOM 608 CB CYS A 47 3.838 5.031 -3.478 1.00 0.00 C ATOM 609 SG CYS A 47 3.014 6.396 -2.581 1.00 0.00 S ATOM 0 H CYS A 47 6.195 6.273 -3.374 1.00 0.00 H new ATOM 0 HA CYS A 47 4.859 4.075 -1.902 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.045 5.357 -4.497 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.147 4.191 -3.546 1.00 0.00 H new ATOM 614 N ASN A 48 5.347 2.294 -3.691 1.00 0.00 N ATOM 615 CA ASN A 48 5.925 1.220 -4.481 1.00 0.00 C ATOM 616 C ASN A 48 5.383 1.294 -5.910 1.00 0.00 C ATOM 617 O ASN A 48 4.397 1.977 -6.168 1.00 0.00 O ATOM 618 CB ASN A 48 5.553 -0.150 -3.904 1.00 0.00 C ATOM 619 CG ASN A 48 6.462 -0.513 -2.728 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.873 0.532 -2.018 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 6.768 -1.669 -2.483 1.00 0.00 N flip ATOM 0 H ASN A 48 4.542 2.024 -3.126 1.00 0.00 H new ATOM 0 HA ASN A 48 7.009 1.336 -4.466 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.514 -0.141 -3.576 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.635 -0.910 -4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.416 -2.425 -3.070 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.375 -1.879 -1.691 1.00 0.00 H new ATOM 628 N PRO A 49 6.073 0.559 -6.826 1.00 0.00 N ATOM 629 CA PRO A 49 5.672 0.535 -8.221 1.00 0.00 C ATOM 630 C PRO A 49 4.423 -0.329 -8.417 1.00 0.00 C ATOM 631 O PRO A 49 3.770 -0.253 -9.457 1.00 0.00 O ATOM 632 CB PRO A 49 6.882 0.005 -8.968 1.00 0.00 C ATOM 633 CG PRO A 49 7.750 -0.683 -7.926 1.00 0.00 C ATOM 634 CD PRO A 49 7.249 -0.264 -6.554 1.00 0.00 C ATOM 0 HA PRO A 49 5.389 1.519 -8.595 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.583 -0.694 -9.749 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.425 0.815 -9.455 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.696 -1.766 -8.038 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.795 -0.401 -8.053 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.994 -1.130 -5.944 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.008 0.297 -6.009 1.00 0.00 H new ATOM 642 N ALA A 50 4.129 -1.126 -7.401 1.00 0.00 N ATOM 643 CA ALA A 50 2.971 -2.003 -7.450 1.00 0.00 C ATOM 644 C ALA A 50 1.869 -1.433 -6.553 1.00 0.00 C ATOM 645 O ALA A 50 0.893 -2.119 -6.255 1.00 0.00 O ATOM 646 CB ALA A 50 3.384 -3.418 -7.040 1.00 0.00 C ATOM 0 H ALA A 50 4.672 -1.183 -6.539 1.00 0.00 H new ATOM 0 HA ALA A 50 2.575 -2.061 -8.464 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.515 -4.076 -7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.148 -3.787 -7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.784 -3.401 -6.026 1.00 0.00 H new ATOM 652 N ASP A 51 2.063 -0.187 -6.150 1.00 0.00 N ATOM 653 CA ASP A 51 1.098 0.481 -5.293 1.00 0.00 C ATOM 654 C ASP A 51 0.054 1.185 -6.161 1.00 0.00 C ATOM 655 O ASP A 51 -0.737 1.985 -5.664 1.00 0.00 O ATOM 656 CB ASP A 51 1.778 1.540 -4.420 1.00 0.00 C ATOM 657 CG ASP A 51 1.031 2.870 -4.320 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.400 3.089 -3.262 1.00 0.00 O ATOM 659 OD2 ASP A 51 1.106 3.638 -5.301 1.00 0.00 O ATOM 0 H ASP A 51 2.874 0.378 -6.401 1.00 0.00 H new ATOM 0 HA ASP A 51 0.635 -0.272 -4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.905 1.135 -3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.776 1.730 -4.816 1.00 0.00 H new ATOM 665 N PHE A 52 0.083 0.862 -7.447 1.00 0.00 N ATOM 666 CA PHE A 52 -0.851 1.453 -8.390 1.00 0.00 C ATOM 667 C PHE A 52 -1.929 0.447 -8.795 1.00 0.00 C ATOM 668 O PHE A 52 -1.780 -0.260 -9.789 1.00 0.00 O ATOM 669 CB PHE A 52 -0.047 1.848 -9.629 1.00 0.00 C ATOM 670 CG PHE A 52 1.362 2.361 -9.320 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.587 3.093 -8.195 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.388 2.086 -10.169 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.893 3.570 -7.907 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.694 2.564 -9.882 1.00 0.00 C ATOM 675 CZ PHE A 52 3.919 3.295 -8.757 1.00 0.00 C ATOM 0 H PHE A 52 0.740 0.198 -7.857 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.345 2.312 -7.936 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.029 0.985 -10.291 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.592 2.620 -10.173 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.772 3.311 -7.521 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.210 1.504 -11.061 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.072 4.151 -7.014 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.509 2.347 -10.557 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.913 3.657 -8.539 1.00 0.00 H new ATOM 685 N SER A 53 -2.992 0.416 -8.004 1.00 0.00 N ATOM 686 CA SER A 53 -4.097 -0.491 -8.269 1.00 0.00 C ATOM 687 C SER A 53 -5.414 0.143 -7.819 1.00 0.00 C ATOM 688 O SER A 53 -5.860 -0.076 -6.692 1.00 0.00 O ATOM 689 CB SER A 53 -3.886 -1.834 -7.567 1.00 0.00 C ATOM 690 OG SER A 53 -5.100 -2.353 -7.033 1.00 0.00 O ATOM 0 H SER A 53 -3.112 1.004 -7.179 1.00 0.00 H new ATOM 0 HA SER A 53 -4.139 -0.675 -9.342 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.465 -2.550 -8.273 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.159 -1.713 -6.764 1.00 0.00 H new ATOM 0 HG SER A 53 -5.594 -1.635 -6.585 1.00 0.00 H new ATOM 696 N SER A 54 -6.002 0.914 -8.721 1.00 0.00 N ATOM 697 CA SER A 54 -7.260 1.580 -8.431 1.00 0.00 C ATOM 698 C SER A 54 -8.147 0.675 -7.575 1.00 0.00 C ATOM 699 O SER A 54 -8.050 -0.550 -7.655 1.00 0.00 O ATOM 700 CB SER A 54 -7.987 1.970 -9.720 1.00 0.00 C ATOM 701 OG SER A 54 -8.739 3.172 -9.567 1.00 0.00 O ATOM 0 H SER A 54 -5.630 1.093 -9.654 1.00 0.00 H new ATOM 0 HA SER A 54 -7.043 2.493 -7.877 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.260 2.097 -10.522 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.654 1.161 -10.019 1.00 0.00 H new ATOM 0 HG SER A 54 -9.186 3.388 -10.412 1.00 0.00 H new ATOM 707 N VAL A 55 -8.990 1.310 -6.775 1.00 0.00 N ATOM 708 CA VAL A 55 -9.893 0.576 -5.904 1.00 0.00 C ATOM 709 C VAL A 55 -11.111 1.448 -5.591 1.00 0.00 C ATOM 710 O VAL A 55 -11.041 2.673 -5.672 1.00 0.00 O ATOM 711 CB VAL A 55 -9.150 0.116 -4.649 1.00 0.00 C ATOM 712 CG1 VAL A 55 -8.665 1.311 -3.829 1.00 0.00 C ATOM 713 CG2 VAL A 55 -10.026 -0.812 -3.805 1.00 0.00 C ATOM 0 H VAL A 55 -9.067 2.325 -6.711 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.255 -0.325 -6.400 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.273 -0.448 -4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.140 0.955 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.989 1.916 -4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.520 1.916 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.475 -1.125 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.930 -0.283 -3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.298 -1.689 -4.392 1.00 0.00 H new ATOM 723 N THR A 56 -12.201 0.781 -5.242 1.00 0.00 N ATOM 724 CA THR A 56 -13.433 1.479 -4.916 1.00 0.00 C ATOM 725 C THR A 56 -14.200 0.726 -3.826 1.00 0.00 C ATOM 726 O THR A 56 -14.400 -0.483 -3.925 1.00 0.00 O ATOM 727 CB THR A 56 -14.233 1.657 -6.208 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.583 3.038 -6.212 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.578 0.928 -6.171 1.00 0.00 C ATOM 0 H THR A 56 -12.257 -0.235 -5.178 1.00 0.00 H new ATOM 0 HA THR A 56 -13.230 2.467 -4.504 1.00 0.00 H new ATOM 0 HB THR A 56 -13.647 1.290 -7.051 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.947 3.286 -5.336 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.104 1.088 -7.112 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.410 -0.139 -6.026 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.179 1.316 -5.349 1.00 0.00 H new ATOM 737 N ALA A 57 -14.609 1.474 -2.811 1.00 0.00 N ATOM 738 CA ALA A 57 -15.349 0.893 -1.703 1.00 0.00 C ATOM 739 C ALA A 57 -16.848 1.027 -1.974 1.00 0.00 C ATOM 740 O ALA A 57 -17.352 2.133 -2.169 1.00 0.00 O ATOM 741 CB ALA A 57 -14.928 1.570 -0.396 1.00 0.00 C ATOM 0 H ALA A 57 -14.442 2.477 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.125 -0.169 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.483 1.134 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.860 1.421 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.141 2.637 -0.454 1.00 0.00 H new ATOM 747 N ASP A 58 -17.523 -0.113 -1.973 1.00 0.00 N ATOM 748 CA ASP A 58 -18.955 -0.137 -2.214 1.00 0.00 C ATOM 749 C ASP A 58 -19.639 0.878 -1.297 1.00 0.00 C ATOM 750 O ASP A 58 -19.035 1.363 -0.340 1.00 0.00 O ATOM 751 CB ASP A 58 -19.542 -1.518 -1.911 1.00 0.00 C ATOM 752 CG ASP A 58 -18.732 -2.698 -2.452 1.00 0.00 C ATOM 753 OD1 ASP A 58 -19.117 -3.843 -2.135 1.00 0.00 O ATOM 754 OD2 ASP A 58 -17.745 -2.427 -3.172 1.00 0.00 O ATOM 0 H ASP A 58 -17.103 -1.028 -1.809 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.124 0.105 -3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.637 -1.627 -0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.549 -1.567 -2.326 1.00 0.00 H new ATOM 760 N ALA A 59 -20.890 1.173 -1.620 1.00 0.00 N ATOM 761 CA ALA A 59 -21.661 2.122 -0.839 1.00 0.00 C ATOM 762 C ALA A 59 -21.326 1.948 0.643 1.00 0.00 C ATOM 763 O ALA A 59 -21.165 2.930 1.367 1.00 0.00 O ATOM 764 CB ALA A 59 -23.152 1.927 -1.125 1.00 0.00 C ATOM 0 H ALA A 59 -21.388 0.770 -2.414 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.406 3.144 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.731 2.640 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.343 2.090 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.445 0.912 -0.855 1.00 0.00 H new ATOM 770 N ASN A 60 -21.230 0.691 1.052 1.00 0.00 N ATOM 771 CA ASN A 60 -20.917 0.376 2.434 1.00 0.00 C ATOM 772 C ASN A 60 -19.399 0.350 2.616 1.00 0.00 C ATOM 773 O ASN A 60 -18.870 -0.490 3.342 1.00 0.00 O ATOM 774 CB ASN A 60 -21.463 -1.000 2.825 1.00 0.00 C ATOM 775 CG ASN A 60 -22.140 -0.956 4.196 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.275 0.087 4.815 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.555 -2.140 4.635 1.00 0.00 N ATOM 0 H ASN A 60 -21.364 -0.121 0.449 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.376 1.138 3.064 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.177 -1.338 2.074 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.650 -1.726 2.841 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.018 -2.214 5.541 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.410 -2.974 4.066 1.00 0.00 H new ATOM 784 N GLY A 61 -18.740 1.283 1.943 1.00 0.00 N ATOM 785 CA GLY A 61 -17.291 1.378 2.021 1.00 0.00 C ATOM 786 C GLY A 61 -16.645 -0.005 1.938 1.00 0.00 C ATOM 787 O GLY A 61 -15.671 -0.284 2.637 1.00 0.00 O ATOM 0 H GLY A 61 -19.182 1.979 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.920 2.006 1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.005 1.861 2.955 1.00 0.00 H new ATOM 791 N SER A 62 -17.213 -0.838 1.076 1.00 0.00 N ATOM 792 CA SER A 62 -16.703 -2.186 0.891 1.00 0.00 C ATOM 793 C SER A 62 -15.723 -2.219 -0.285 1.00 0.00 C ATOM 794 O SER A 62 -16.126 -2.441 -1.425 1.00 0.00 O ATOM 795 CB SER A 62 -17.844 -3.178 0.662 1.00 0.00 C ATOM 796 OG SER A 62 -19.108 -2.631 1.023 1.00 0.00 O ATOM 0 H SER A 62 -18.021 -0.605 0.499 1.00 0.00 H new ATOM 0 HA SER A 62 -16.178 -2.482 1.799 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.863 -3.473 -0.387 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.661 -4.082 1.243 1.00 0.00 H new ATOM 0 HG SER A 62 -19.810 -3.295 0.860 1.00 0.00 H new ATOM 802 N ALA A 63 -14.458 -1.996 0.035 1.00 0.00 N ATOM 803 CA ALA A 63 -13.418 -1.998 -0.980 1.00 0.00 C ATOM 804 C ALA A 63 -12.592 -3.279 -0.854 1.00 0.00 C ATOM 805 O ALA A 63 -11.506 -3.269 -0.276 1.00 0.00 O ATOM 806 CB ALA A 63 -12.563 -0.737 -0.838 1.00 0.00 C ATOM 0 H ALA A 63 -14.129 -1.813 0.983 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.856 -1.984 -1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.783 -0.739 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.191 0.145 -0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.105 -0.718 0.151 1.00 0.00 H new ATOM 812 N SER A 64 -13.138 -4.355 -1.404 1.00 0.00 N ATOM 813 CA SER A 64 -12.465 -5.643 -1.362 1.00 0.00 C ATOM 814 C SER A 64 -11.644 -5.846 -2.636 1.00 0.00 C ATOM 815 O SER A 64 -12.081 -6.534 -3.558 1.00 0.00 O ATOM 816 CB SER A 64 -13.469 -6.783 -1.187 1.00 0.00 C ATOM 817 OG SER A 64 -14.571 -6.665 -2.085 1.00 0.00 O ATOM 0 H SER A 64 -14.039 -4.361 -1.881 1.00 0.00 H new ATOM 0 HA SER A 64 -11.795 -5.652 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.967 -7.737 -1.351 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.836 -6.789 -0.161 1.00 0.00 H new ATOM 0 HG SER A 64 -14.237 -6.564 -3.001 1.00 0.00 H new ATOM 823 N THR A 65 -10.468 -5.235 -2.651 1.00 0.00 N ATOM 824 CA THR A 65 -9.584 -5.340 -3.798 1.00 0.00 C ATOM 825 C THR A 65 -8.381 -6.227 -3.464 1.00 0.00 C ATOM 826 O THR A 65 -7.744 -6.049 -2.425 1.00 0.00 O ATOM 827 CB THR A 65 -9.193 -3.925 -4.227 1.00 0.00 C ATOM 828 OG1 THR A 65 -8.951 -4.040 -5.626 1.00 0.00 O ATOM 829 CG2 THR A 65 -7.844 -3.489 -3.649 1.00 0.00 C ATOM 0 H THR A 65 -10.107 -4.665 -1.886 1.00 0.00 H new ATOM 0 HA THR A 65 -10.083 -5.823 -4.638 1.00 0.00 H new ATOM 0 HB THR A 65 -9.966 -3.224 -3.912 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.693 -3.166 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.614 -2.478 -3.984 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.891 -3.508 -2.560 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.065 -4.170 -3.990 1.00 0.00 H new ATOM 837 N SER A 66 -8.107 -7.161 -4.362 1.00 0.00 N ATOM 838 CA SER A 66 -6.994 -8.075 -4.177 1.00 0.00 C ATOM 839 C SER A 66 -5.814 -7.646 -5.050 1.00 0.00 C ATOM 840 O SER A 66 -5.996 -7.273 -6.208 1.00 0.00 O ATOM 841 CB SER A 66 -7.401 -9.514 -4.502 1.00 0.00 C ATOM 842 OG SER A 66 -7.327 -9.786 -5.899 1.00 0.00 O ATOM 0 H SER A 66 -8.638 -7.304 -5.221 1.00 0.00 H new ATOM 0 HA SER A 66 -6.694 -8.040 -3.130 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.753 -10.205 -3.963 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.418 -9.691 -4.151 1.00 0.00 H new ATOM 0 HG SER A 66 -7.593 -10.714 -6.066 1.00 0.00 H new ATOM 848 N LEU A 67 -4.627 -7.713 -4.462 1.00 0.00 N ATOM 849 CA LEU A 67 -3.418 -7.338 -5.172 1.00 0.00 C ATOM 850 C LEU A 67 -2.223 -8.071 -4.560 1.00 0.00 C ATOM 851 O LEU A 67 -2.376 -8.813 -3.591 1.00 0.00 O ATOM 852 CB LEU A 67 -3.259 -5.816 -5.193 1.00 0.00 C ATOM 853 CG LEU A 67 -3.150 -5.171 -6.577 1.00 0.00 C ATOM 854 CD1 LEU A 67 -1.821 -5.530 -7.244 1.00 0.00 C ATOM 855 CD2 LEU A 67 -4.348 -5.545 -7.451 1.00 0.00 C ATOM 0 H LEU A 67 -4.479 -8.022 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.480 -7.644 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.110 -5.375 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.368 -5.556 -4.622 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.167 -4.088 -6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.768 -5.060 -8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.996 -5.175 -6.626 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.751 -6.612 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.246 -5.074 -8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.386 -6.628 -7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.267 -5.200 -6.976 1.00 0.00 H new ATOM 867 N THR A 68 -1.059 -7.838 -5.150 1.00 0.00 N ATOM 868 CA THR A 68 0.160 -8.466 -4.674 1.00 0.00 C ATOM 869 C THR A 68 1.006 -7.463 -3.888 1.00 0.00 C ATOM 870 O THR A 68 1.292 -6.370 -4.376 1.00 0.00 O ATOM 871 CB THR A 68 0.889 -9.059 -5.883 1.00 0.00 C ATOM 872 OG1 THR A 68 0.145 -10.233 -6.194 1.00 0.00 O ATOM 873 CG2 THR A 68 2.281 -9.583 -5.528 1.00 0.00 C ATOM 0 H THR A 68 -0.936 -7.222 -5.954 1.00 0.00 H new ATOM 0 HA THR A 68 -0.059 -9.275 -3.977 1.00 0.00 H new ATOM 0 HB THR A 68 0.975 -8.302 -6.663 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.547 -10.680 -6.968 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.754 -9.993 -6.420 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.888 -8.767 -5.137 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.194 -10.364 -4.773 1.00 0.00 H new ATOM 881 N VAL A 69 1.384 -7.869 -2.684 1.00 0.00 N ATOM 882 CA VAL A 69 2.191 -7.021 -1.826 1.00 0.00 C ATOM 883 C VAL A 69 3.672 -7.272 -2.114 1.00 0.00 C ATOM 884 O VAL A 69 4.296 -8.123 -1.480 1.00 0.00 O ATOM 885 CB VAL A 69 1.819 -7.254 -0.360 1.00 0.00 C ATOM 886 CG1 VAL A 69 2.534 -6.256 0.552 1.00 0.00 C ATOM 887 CG2 VAL A 69 0.303 -7.189 -0.163 1.00 0.00 C ATOM 0 H VAL A 69 1.145 -8.776 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 69 1.993 -5.970 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 69 2.150 -8.255 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.252 -6.443 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.612 -6.371 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.248 -5.241 0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.065 -7.358 0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.061 -6.207 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.176 -7.956 -0.771 1.00 0.00 H new ATOM 897 N ARG A 70 4.193 -6.518 -3.072 1.00 0.00 N ATOM 898 CA ARG A 70 5.588 -6.650 -3.452 1.00 0.00 C ATOM 899 C ARG A 70 6.448 -5.659 -2.663 1.00 0.00 C ATOM 900 O ARG A 70 6.583 -4.500 -3.057 1.00 0.00 O ATOM 901 CB ARG A 70 5.777 -6.401 -4.949 1.00 0.00 C ATOM 902 CG ARG A 70 4.728 -7.154 -5.767 1.00 0.00 C ATOM 903 CD ARG A 70 4.270 -6.325 -6.968 1.00 0.00 C ATOM 904 NE ARG A 70 4.175 -7.185 -8.171 1.00 0.00 N ATOM 905 CZ ARG A 70 4.232 -6.726 -9.427 1.00 0.00 C ATOM 906 NH1 ARG A 70 4.383 -5.413 -9.656 1.00 0.00 N ATOM 907 NH2 ARG A 70 4.137 -7.577 -10.458 1.00 0.00 N ATOM 0 H ARG A 70 3.673 -5.814 -3.596 1.00 0.00 H new ATOM 0 HA ARG A 70 5.900 -7.669 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.706 -5.333 -5.155 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.775 -6.718 -5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.142 -8.102 -6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.871 -7.391 -5.136 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.302 -5.870 -6.759 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.972 -5.511 -7.147 1.00 0.00 H new ATOM 0 HE ARG A 70 4.059 -8.189 -8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.454 -4.764 -8.873 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.426 -5.064 -10.613 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.021 -8.576 -10.286 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.181 -7.226 -11.415 1.00 0.00 H new ATOM 921 N ARG A 71 7.008 -6.149 -1.568 1.00 0.00 N ATOM 922 CA ARG A 71 7.850 -5.322 -0.723 1.00 0.00 C ATOM 923 C ARG A 71 9.086 -4.857 -1.496 1.00 0.00 C ATOM 924 O ARG A 71 9.524 -3.717 -1.348 1.00 0.00 O ATOM 925 CB ARG A 71 8.296 -6.084 0.527 1.00 0.00 C ATOM 926 CG ARG A 71 9.464 -5.375 1.215 1.00 0.00 C ATOM 927 CD ARG A 71 10.061 -6.247 2.320 1.00 0.00 C ATOM 928 NE ARG A 71 10.555 -7.520 1.747 1.00 0.00 N ATOM 929 CZ ARG A 71 11.307 -8.404 2.417 1.00 0.00 C ATOM 930 NH1 ARG A 71 11.658 -8.158 3.687 1.00 0.00 N ATOM 931 NH2 ARG A 71 11.709 -9.533 1.818 1.00 0.00 N ATOM 0 H ARG A 71 6.895 -7.110 -1.246 1.00 0.00 H new ATOM 0 HA ARG A 71 7.262 -4.457 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.460 -6.172 1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.591 -7.097 0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.233 -5.136 0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.122 -4.430 1.637 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.878 -5.718 2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.308 -6.449 3.082 1.00 0.00 H new ATOM 0 HE ARG A 71 10.307 -7.738 0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.353 -7.298 4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.230 -8.831 4.197 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.443 -9.720 0.851 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.281 -10.205 2.329 1.00 0.00 H new ATOM 945 N SER A 72 9.614 -5.764 -2.303 1.00 0.00 N ATOM 946 CA SER A 72 10.791 -5.462 -3.102 1.00 0.00 C ATOM 947 C SER A 72 10.373 -4.847 -4.438 1.00 0.00 C ATOM 948 O SER A 72 9.508 -5.381 -5.131 1.00 0.00 O ATOM 949 CB SER A 72 11.634 -6.718 -3.335 1.00 0.00 C ATOM 950 OG SER A 72 11.817 -6.986 -4.723 1.00 0.00 O ATOM 0 H SER A 72 9.249 -6.709 -2.422 1.00 0.00 H new ATOM 0 HA SER A 72 11.401 -4.743 -2.555 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.606 -6.596 -2.858 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.151 -7.572 -2.861 1.00 0.00 H new ATOM 0 HG SER A 72 12.361 -7.794 -4.831 1.00 0.00 H new ATOM 956 N PHE A 73 11.006 -3.728 -4.761 1.00 0.00 N ATOM 957 CA PHE A 73 10.710 -3.033 -6.003 1.00 0.00 C ATOM 958 C PHE A 73 11.242 -1.598 -5.967 1.00 0.00 C ATOM 959 O PHE A 73 11.728 -1.137 -4.934 1.00 0.00 O ATOM 960 CB PHE A 73 9.189 -2.997 -6.145 1.00 0.00 C ATOM 961 CG PHE A 73 8.651 -3.845 -7.301 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.054 -3.591 -8.574 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.772 -4.853 -7.054 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.555 -4.378 -9.646 1.00 0.00 C ATOM 965 CE2 PHE A 73 7.275 -5.639 -8.127 1.00 0.00 C ATOM 966 CZ PHE A 73 7.676 -5.385 -9.400 1.00 0.00 C ATOM 0 H PHE A 73 11.722 -3.286 -4.185 1.00 0.00 H new ATOM 0 HA PHE A 73 11.183 -3.547 -6.839 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.739 -3.343 -5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.872 -1.964 -6.288 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.753 -2.791 -8.770 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.452 -5.055 -6.042 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.874 -4.176 -10.658 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.577 -6.440 -7.931 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.297 -5.983 -10.216 1.00 0.00 H new ATOM 976 N GLU A 74 11.130 -0.931 -7.107 1.00 0.00 N ATOM 977 CA GLU A 74 11.592 0.442 -7.218 1.00 0.00 C ATOM 978 C GLU A 74 10.549 1.401 -6.642 1.00 0.00 C ATOM 979 O GLU A 74 9.425 1.471 -7.135 1.00 0.00 O ATOM 980 CB GLU A 74 11.917 0.795 -8.671 1.00 0.00 C ATOM 981 CG GLU A 74 12.389 2.245 -8.792 1.00 0.00 C ATOM 982 CD GLU A 74 13.892 2.310 -9.075 1.00 0.00 C ATOM 983 OE1 GLU A 74 14.275 1.900 -10.192 1.00 0.00 O ATOM 984 OE2 GLU A 74 14.620 2.769 -8.172 1.00 0.00 O ATOM 0 H GLU A 74 10.726 -1.316 -7.961 1.00 0.00 H new ATOM 0 HA GLU A 74 12.510 0.544 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.690 0.125 -9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.034 0.644 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.843 2.744 -9.593 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.165 2.782 -7.870 1.00 0.00 H new ATOM 992 N GLY A 75 10.960 2.117 -5.605 1.00 0.00 N ATOM 993 CA GLY A 75 10.075 3.069 -4.955 1.00 0.00 C ATOM 994 C GLY A 75 10.212 4.459 -5.579 1.00 0.00 C ATOM 995 O GLY A 75 11.200 4.746 -6.254 1.00 0.00 O ATOM 0 H GLY A 75 11.894 2.057 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.043 2.728 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.307 3.119 -3.891 1.00 0.00 H new ATOM 999 N PHE A 76 9.207 5.286 -5.331 1.00 0.00 N ATOM 1000 CA PHE A 76 9.203 6.639 -5.860 1.00 0.00 C ATOM 1001 C PHE A 76 8.762 7.643 -4.793 1.00 0.00 C ATOM 1002 O PHE A 76 7.827 7.382 -4.039 1.00 0.00 O ATOM 1003 CB PHE A 76 8.201 6.665 -7.014 1.00 0.00 C ATOM 1004 CG PHE A 76 8.272 5.441 -7.928 1.00 0.00 C ATOM 1005 CD1 PHE A 76 7.789 4.242 -7.498 1.00 0.00 C ATOM 1006 CD2 PHE A 76 8.816 5.547 -9.169 1.00 0.00 C ATOM 1007 CE1 PHE A 76 7.854 3.105 -8.345 1.00 0.00 C ATOM 1008 CE2 PHE A 76 8.880 4.409 -10.015 1.00 0.00 C ATOM 1009 CZ PHE A 76 8.398 3.212 -9.586 1.00 0.00 C ATOM 0 H PHE A 76 8.390 5.045 -4.771 1.00 0.00 H new ATOM 0 HA PHE A 76 10.206 6.914 -6.187 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.194 6.742 -6.605 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.372 7.561 -7.610 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.356 4.157 -6.512 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.199 6.497 -9.511 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.471 2.155 -8.003 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.312 4.494 -11.001 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.447 2.347 -10.231 1.00 0.00 H new ATOM 1019 N LEU A 77 9.457 8.771 -4.765 1.00 0.00 N ATOM 1020 CA LEU A 77 9.148 9.816 -3.803 1.00 0.00 C ATOM 1021 C LEU A 77 7.833 10.494 -4.198 1.00 0.00 C ATOM 1022 O LEU A 77 7.468 10.511 -5.371 1.00 0.00 O ATOM 1023 CB LEU A 77 10.323 10.787 -3.670 1.00 0.00 C ATOM 1024 CG LEU A 77 11.677 10.159 -3.333 1.00 0.00 C ATOM 1025 CD1 LEU A 77 11.497 8.871 -2.525 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.506 9.930 -4.597 1.00 0.00 C ATOM 0 H LEU A 77 10.232 8.984 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 77 9.003 9.389 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.422 11.336 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.080 11.516 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 77 12.231 10.858 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.474 8.444 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.974 9.095 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.915 8.156 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.463 9.483 -4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.968 9.260 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.678 10.883 -5.097 1.00 0.00 H new ATOM 1038 N PHE A 78 7.158 11.032 -3.193 1.00 0.00 N ATOM 1039 CA PHE A 78 5.893 11.710 -3.420 1.00 0.00 C ATOM 1040 C PHE A 78 6.114 13.120 -3.968 1.00 0.00 C ATOM 1041 O PHE A 78 5.227 13.694 -4.597 1.00 0.00 O ATOM 1042 CB PHE A 78 5.189 11.806 -2.064 1.00 0.00 C ATOM 1043 CG PHE A 78 4.161 12.937 -1.977 1.00 0.00 C ATOM 1044 CD1 PHE A 78 3.154 13.011 -2.888 1.00 0.00 C ATOM 1045 CD2 PHE A 78 4.253 13.866 -0.987 1.00 0.00 C ATOM 1046 CE1 PHE A 78 2.199 14.060 -2.808 1.00 0.00 C ATOM 1047 CE2 PHE A 78 3.299 14.913 -0.907 1.00 0.00 C ATOM 1048 CZ PHE A 78 2.291 14.989 -1.818 1.00 0.00 C ATOM 0 H PHE A 78 7.463 11.012 -2.220 1.00 0.00 H new ATOM 0 HA PHE A 78 5.301 11.157 -4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.691 10.859 -1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.939 11.949 -1.286 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.080 12.272 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.052 13.806 -0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.400 14.120 -3.533 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.373 15.651 -0.122 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.565 15.786 -1.755 1.00 0.00 H new ATOM 1058 N ASP A 79 7.306 13.639 -3.709 1.00 0.00 N ATOM 1059 CA ASP A 79 7.656 14.972 -4.169 1.00 0.00 C ATOM 1060 C ASP A 79 7.505 15.039 -5.690 1.00 0.00 C ATOM 1061 O ASP A 79 6.834 15.926 -6.213 1.00 0.00 O ATOM 1062 CB ASP A 79 9.107 15.311 -3.821 1.00 0.00 C ATOM 1063 CG ASP A 79 9.316 16.686 -3.183 1.00 0.00 C ATOM 1064 OD1 ASP A 79 8.303 17.262 -2.729 1.00 0.00 O ATOM 1065 OD2 ASP A 79 10.484 17.131 -3.164 1.00 0.00 O ATOM 0 H ASP A 79 8.040 13.161 -3.187 1.00 0.00 H new ATOM 0 HA ASP A 79 6.992 15.683 -3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.489 14.550 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.705 15.255 -4.730 1.00 0.00 H new ATOM 1071 N GLY A 80 8.143 14.088 -6.357 1.00 0.00 N ATOM 1072 CA GLY A 80 8.088 14.026 -7.807 1.00 0.00 C ATOM 1073 C GLY A 80 9.181 13.110 -8.359 1.00 0.00 C ATOM 1074 O GLY A 80 9.022 12.522 -9.428 1.00 0.00 O ATOM 0 H GLY A 80 8.701 13.354 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.110 13.662 -8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.204 15.027 -8.222 1.00 0.00 H new ATOM 1078 N THR A 81 10.266 13.014 -7.607 1.00 0.00 N ATOM 1079 CA THR A 81 11.385 12.179 -8.007 1.00 0.00 C ATOM 1080 C THR A 81 11.157 10.734 -7.560 1.00 0.00 C ATOM 1081 O THR A 81 10.187 10.441 -6.862 1.00 0.00 O ATOM 1082 CB THR A 81 12.665 12.796 -7.438 1.00 0.00 C ATOM 1083 OG1 THR A 81 13.650 11.785 -7.623 1.00 0.00 O ATOM 1084 CG2 THR A 81 12.600 12.981 -5.921 1.00 0.00 C ATOM 0 H THR A 81 10.395 13.502 -6.721 1.00 0.00 H new ATOM 0 HA THR A 81 11.481 12.140 -9.092 1.00 0.00 H new ATOM 0 HB THR A 81 12.846 13.760 -7.914 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.512 12.102 -7.283 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.532 13.422 -5.568 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.769 13.640 -5.670 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.452 12.013 -5.442 1.00 0.00 H new ATOM 1092 N ARG A 82 12.070 9.868 -7.977 1.00 0.00 N ATOM 1093 CA ARG A 82 11.980 8.461 -7.628 1.00 0.00 C ATOM 1094 C ARG A 82 13.188 8.045 -6.785 1.00 0.00 C ATOM 1095 O ARG A 82 14.271 8.612 -6.925 1.00 0.00 O ATOM 1096 CB ARG A 82 11.916 7.585 -8.882 1.00 0.00 C ATOM 1097 CG ARG A 82 13.196 7.718 -9.708 1.00 0.00 C ATOM 1098 CD ARG A 82 13.294 6.601 -10.751 1.00 0.00 C ATOM 1099 NE ARG A 82 13.928 7.116 -11.985 1.00 0.00 N ATOM 1100 CZ ARG A 82 14.031 6.416 -13.122 1.00 0.00 C ATOM 1101 NH1 ARG A 82 13.545 5.169 -13.192 1.00 0.00 N ATOM 1102 NH2 ARG A 82 14.622 6.964 -14.196 1.00 0.00 N ATOM 0 H ARG A 82 12.875 10.114 -8.553 1.00 0.00 H new ATOM 0 HA ARG A 82 11.065 8.320 -7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.770 6.543 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.056 7.872 -9.488 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.213 8.688 -10.206 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.064 7.683 -9.049 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.876 5.770 -10.353 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.300 6.215 -10.977 1.00 0.00 H new ATOM 0 HE ARG A 82 14.310 8.062 -11.969 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.095 4.751 -12.378 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.625 4.638 -14.059 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.992 7.913 -14.146 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.701 6.431 -15.062 1.00 0.00 H new ATOM 1116 N TRP A 83 12.960 7.059 -5.929 1.00 0.00 N ATOM 1117 CA TRP A 83 14.018 6.561 -5.065 1.00 0.00 C ATOM 1118 C TRP A 83 14.471 5.204 -5.605 1.00 0.00 C ATOM 1119 O TRP A 83 15.408 5.131 -6.399 1.00 0.00 O ATOM 1120 CB TRP A 83 13.549 6.498 -3.609 1.00 0.00 C ATOM 1121 CG TRP A 83 14.601 5.954 -2.640 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.475 4.949 -1.764 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.954 6.432 -2.484 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.642 4.744 -1.058 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.570 5.674 -1.509 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.635 7.471 -3.145 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.895 5.873 -1.108 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.960 7.657 -2.732 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.595 6.903 -1.753 1.00 0.00 C ATOM 0 H TRP A 83 12.060 6.592 -5.815 1.00 0.00 H new ATOM 0 HA TRP A 83 14.871 7.239 -5.069 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.257 7.498 -3.288 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.658 5.872 -3.551 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.573 4.371 -1.627 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.795 4.039 -0.337 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.172 8.077 -3.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.355 5.266 -0.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.529 8.442 -3.208 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.622 7.109 -1.490 1.00 0.00 H new ATOM 1140 N GLY A 84 13.786 4.163 -5.155 1.00 0.00 N ATOM 1141 CA GLY A 84 14.108 2.813 -5.584 1.00 0.00 C ATOM 1142 C GLY A 84 14.058 1.838 -4.405 1.00 0.00 C ATOM 1143 O GLY A 84 12.981 1.421 -3.984 1.00 0.00 O ATOM 0 H GLY A 84 13.009 4.227 -4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.405 2.495 -6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.101 2.797 -6.032 1.00 0.00 H new ATOM 1147 N THR A 85 15.240 1.501 -3.907 1.00 0.00 N ATOM 1148 CA THR A 85 15.345 0.584 -2.786 1.00 0.00 C ATOM 1149 C THR A 85 15.375 -0.863 -3.283 1.00 0.00 C ATOM 1150 O THR A 85 16.347 -1.580 -3.058 1.00 0.00 O ATOM 1151 CB THR A 85 14.190 0.873 -1.827 1.00 0.00 C ATOM 1152 OG1 THR A 85 14.044 2.289 -1.877 1.00 0.00 O ATOM 1153 CG2 THR A 85 14.553 0.587 -0.368 1.00 0.00 C ATOM 0 H THR A 85 16.132 1.847 -4.260 1.00 0.00 H new ATOM 0 HA THR A 85 16.279 0.729 -2.243 1.00 0.00 H new ATOM 0 HB THR A 85 13.325 0.273 -2.110 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.848 2.714 -1.512 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.698 0.809 0.270 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.824 -0.463 -0.260 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.397 1.211 -0.074 1.00 0.00 H new ATOM 1161 N VAL A 86 14.297 -1.248 -3.950 1.00 0.00 N ATOM 1162 CA VAL A 86 14.187 -2.596 -4.482 1.00 0.00 C ATOM 1163 C VAL A 86 13.792 -3.553 -3.353 1.00 0.00 C ATOM 1164 O VAL A 86 13.308 -4.655 -3.611 1.00 0.00 O ATOM 1165 CB VAL A 86 15.492 -2.995 -5.173 1.00 0.00 C ATOM 1166 CG1 VAL A 86 16.207 -1.767 -5.741 1.00 0.00 C ATOM 1167 CG2 VAL A 86 16.403 -3.769 -4.218 1.00 0.00 C ATOM 0 H VAL A 86 13.492 -0.650 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 86 13.406 -2.645 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 86 15.245 -3.654 -6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.132 -2.077 -6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 86 15.562 -1.275 -6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 86 16.437 -1.073 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.324 -4.041 -4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 86 16.640 -3.145 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.895 -4.673 -3.883 1.00 0.00 H new ATOM 1177 N ASP A 87 14.012 -3.096 -2.130 1.00 0.00 N ATOM 1178 CA ASP A 87 13.682 -3.897 -0.963 1.00 0.00 C ATOM 1179 C ASP A 87 13.127 -2.989 0.135 1.00 0.00 C ATOM 1180 O ASP A 87 13.878 -2.269 0.791 1.00 0.00 O ATOM 1181 CB ASP A 87 14.924 -4.600 -0.411 1.00 0.00 C ATOM 1182 CG ASP A 87 14.713 -6.057 0.005 1.00 0.00 C ATOM 1183 OD1 ASP A 87 14.296 -6.844 -0.873 1.00 0.00 O ATOM 1184 OD2 ASP A 87 14.971 -6.352 1.192 1.00 0.00 O ATOM 0 H ASP A 87 14.414 -2.182 -1.921 1.00 0.00 H new ATOM 0 HA ASP A 87 12.946 -4.643 -1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.709 -4.564 -1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.286 -4.041 0.452 1.00 0.00 H new ATOM 1190 N CYS A 88 11.812 -3.051 0.301 1.00 0.00 N ATOM 1191 CA CYS A 88 11.147 -2.242 1.307 1.00 0.00 C ATOM 1192 C CYS A 88 11.116 -3.034 2.616 1.00 0.00 C ATOM 1193 O CYS A 88 10.070 -3.143 3.256 1.00 0.00 O ATOM 1194 CB CYS A 88 9.746 -1.823 0.861 1.00 0.00 C ATOM 1195 SG CYS A 88 8.777 -0.914 2.119 1.00 0.00 S ATOM 0 H CYS A 88 11.191 -3.649 -0.245 1.00 0.00 H new ATOM 0 HA CYS A 88 11.701 -1.315 1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.835 -1.199 -0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.191 -2.715 0.571 1.00 0.00 H new ATOM 1200 N THR A 89 12.273 -3.567 2.975 1.00 0.00 N ATOM 1201 CA THR A 89 12.392 -4.345 4.197 1.00 0.00 C ATOM 1202 C THR A 89 12.804 -3.446 5.365 1.00 0.00 C ATOM 1203 O THR A 89 12.687 -3.839 6.524 1.00 0.00 O ATOM 1204 CB THR A 89 13.375 -5.488 3.935 1.00 0.00 C ATOM 1205 OG1 THR A 89 13.085 -6.438 4.958 1.00 0.00 O ATOM 1206 CG2 THR A 89 14.827 -5.086 4.201 1.00 0.00 C ATOM 0 H THR A 89 13.138 -3.476 2.441 1.00 0.00 H new ATOM 0 HA THR A 89 11.434 -4.779 4.484 1.00 0.00 H new ATOM 0 HB THR A 89 13.275 -5.822 2.902 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.666 -7.220 4.852 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.482 -5.934 4.000 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.099 -4.255 3.551 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.936 -4.783 5.242 1.00 0.00 H new ATOM 1214 N THR A 90 13.275 -2.259 5.018 1.00 0.00 N ATOM 1215 CA THR A 90 13.703 -1.300 6.024 1.00 0.00 C ATOM 1216 C THR A 90 12.524 -0.440 6.476 1.00 0.00 C ATOM 1217 O THR A 90 12.250 -0.335 7.671 1.00 0.00 O ATOM 1218 CB THR A 90 14.861 -0.488 5.438 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.998 -1.329 5.609 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.185 0.752 6.275 1.00 0.00 C ATOM 0 H THR A 90 13.370 -1.938 4.055 1.00 0.00 H new ATOM 0 HA THR A 90 14.061 -1.801 6.923 1.00 0.00 H new ATOM 0 HB THR A 90 14.615 -0.187 4.420 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.793 -0.880 5.254 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.013 1.294 5.818 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.309 1.399 6.321 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.464 0.447 7.284 1.00 0.00 H new ATOM 1228 N ALA A 91 11.857 0.157 5.499 1.00 0.00 N ATOM 1229 CA ALA A 91 10.713 1.006 5.782 1.00 0.00 C ATOM 1230 C ALA A 91 9.438 0.160 5.757 1.00 0.00 C ATOM 1231 O ALA A 91 9.241 -0.648 4.852 1.00 0.00 O ATOM 1232 CB ALA A 91 10.669 2.157 4.774 1.00 0.00 C ATOM 0 H ALA A 91 12.088 0.069 4.509 1.00 0.00 H new ATOM 0 HA ALA A 91 10.798 1.446 6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.810 2.794 4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.584 2.744 4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.581 1.754 3.765 1.00 0.00 H new ATOM 1238 N ALA A 92 8.601 0.378 6.763 1.00 0.00 N ATOM 1239 CA ALA A 92 7.351 -0.353 6.868 1.00 0.00 C ATOM 1240 C ALA A 92 6.414 0.084 5.741 1.00 0.00 C ATOM 1241 O ALA A 92 5.965 1.230 5.711 1.00 0.00 O ATOM 1242 CB ALA A 92 6.743 -0.128 8.254 1.00 0.00 C ATOM 0 H ALA A 92 8.766 1.051 7.512 1.00 0.00 H new ATOM 0 HA ALA A 92 7.521 -1.424 6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.805 -0.677 8.333 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.436 -0.482 9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.555 0.936 8.400 1.00 0.00 H new ATOM 1248 N CYS A 93 6.145 -0.851 4.841 1.00 0.00 N ATOM 1249 CA CYS A 93 5.268 -0.575 3.715 1.00 0.00 C ATOM 1250 C CYS A 93 3.826 -0.838 4.153 1.00 0.00 C ATOM 1251 O CYS A 93 3.499 -1.940 4.592 1.00 0.00 O ATOM 1252 CB CYS A 93 5.651 -1.401 2.486 1.00 0.00 C ATOM 1253 SG CYS A 93 7.319 -2.152 2.553 1.00 0.00 S ATOM 0 H CYS A 93 6.519 -1.800 4.869 1.00 0.00 H new ATOM 0 HA CYS A 93 5.371 0.468 3.417 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.916 -2.195 2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.591 -0.763 1.604 1.00 0.00 H new ATOM 1258 N GLN A 94 3.003 0.190 4.017 1.00 0.00 N ATOM 1259 CA GLN A 94 1.604 0.085 4.394 1.00 0.00 C ATOM 1260 C GLN A 94 0.726 -0.022 3.148 1.00 0.00 C ATOM 1261 O GLN A 94 0.757 0.855 2.284 1.00 0.00 O ATOM 1262 CB GLN A 94 1.179 1.269 5.265 1.00 0.00 C ATOM 1263 CG GLN A 94 0.524 2.363 4.419 1.00 0.00 C ATOM 1264 CD GLN A 94 0.235 3.609 5.261 1.00 0.00 C ATOM 1265 OE1 GLN A 94 -0.901 3.953 5.536 1.00 0.00 O ATOM 1266 NE2 GLN A 94 1.327 4.262 5.654 1.00 0.00 N ATOM 0 H GLN A 94 3.278 1.101 3.650 1.00 0.00 H new ATOM 0 HA GLN A 94 1.475 -0.822 4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.482 0.930 6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.048 1.675 5.782 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.178 2.625 3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.404 1.988 3.988 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.250 3.919 5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.240 5.105 6.221 1.00 0.00 H new ATOM 1275 N VAL A 95 -0.038 -1.103 3.091 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.924 -1.337 1.963 1.00 0.00 C ATOM 1277 C VAL A 95 -2.252 -0.617 2.206 1.00 0.00 C ATOM 1278 O VAL A 95 -3.012 -0.994 3.099 1.00 0.00 O ATOM 1279 CB VAL A 95 -1.092 -2.840 1.729 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.718 -3.116 0.360 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.244 -3.570 1.881 1.00 0.00 C ATOM 0 H VAL A 95 -0.062 -1.827 3.809 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.494 -0.927 1.049 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.772 -3.224 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.826 -4.191 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.698 -2.643 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.076 -2.711 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.097 -4.636 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.956 -3.180 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.631 -3.414 2.888 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.494 0.404 1.397 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.717 1.178 1.514 1.00 0.00 C ATOM 1293 C GLY A 96 -3.987 1.973 0.235 1.00 0.00 C ATOM 1294 O GLY A 96 -3.188 1.940 -0.701 1.00 0.00 O ATOM 0 H GLY A 96 -1.863 0.713 0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.555 0.512 1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.641 1.860 2.361 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.115 2.668 0.234 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.498 3.471 -0.914 1.00 0.00 C ATOM 1300 C LEU A 97 -5.308 4.952 -0.583 1.00 0.00 C ATOM 1301 O LEU A 97 -5.830 5.441 0.415 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.919 3.120 -1.361 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.899 2.738 -0.249 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.347 2.907 -0.711 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -7.621 1.324 0.263 1.00 0.00 C ATOM 0 H LEU A 97 -5.776 2.691 1.010 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.854 3.249 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.329 3.973 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.862 2.292 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.748 3.419 0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.022 2.629 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.522 3.947 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.531 2.266 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.331 1.077 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.727 0.613 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.606 1.273 0.658 1.00 0.00 H new ATOM 1317 N SER A 98 -4.554 5.625 -1.443 1.00 0.00 N ATOM 1318 CA SER A 98 -4.287 7.041 -1.255 1.00 0.00 C ATOM 1319 C SER A 98 -5.406 7.872 -1.884 1.00 0.00 C ATOM 1320 O SER A 98 -6.085 7.414 -2.800 1.00 0.00 O ATOM 1321 CB SER A 98 -2.935 7.430 -1.854 1.00 0.00 C ATOM 1322 OG SER A 98 -2.922 7.300 -3.273 1.00 0.00 O ATOM 0 H SER A 98 -4.121 5.215 -2.270 1.00 0.00 H new ATOM 0 HA SER A 98 -4.251 7.244 -0.185 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.701 8.459 -1.582 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.154 6.802 -1.425 1.00 0.00 H new ATOM 0 HG SER A 98 -2.105 7.706 -3.631 1.00 0.00 H new ATOM 1328 N ASP A 99 -5.565 9.082 -1.366 1.00 0.00 N ATOM 1329 CA ASP A 99 -6.589 9.983 -1.866 1.00 0.00 C ATOM 1330 C ASP A 99 -6.102 10.630 -3.163 1.00 0.00 C ATOM 1331 O ASP A 99 -4.902 10.664 -3.432 1.00 0.00 O ATOM 1332 CB ASP A 99 -6.881 11.097 -0.860 1.00 0.00 C ATOM 1333 CG ASP A 99 -6.531 10.766 0.592 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -5.375 10.353 0.818 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -7.430 10.933 1.444 1.00 0.00 O ATOM 0 H ASP A 99 -5.001 9.459 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.497 9.403 -2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.328 11.988 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.941 11.347 -0.915 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.059 11.132 -3.931 1.00 0.00 N ATOM 1342 CA ALA A 100 -6.742 11.779 -5.193 1.00 0.00 C ATOM 1343 C ALA A 100 -6.454 13.259 -4.946 1.00 0.00 C ATOM 1344 O ALA A 100 -6.365 14.046 -5.887 1.00 0.00 O ATOM 1345 CB ALA A 100 -7.894 11.567 -6.179 1.00 0.00 C ATOM 0 H ALA A 100 -8.053 11.104 -3.704 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.848 11.339 -5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.657 12.052 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.039 10.500 -6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.807 11.998 -5.769 1.00 0.00 H new ATOM 1351 N ALA A 101 -6.315 13.597 -3.671 1.00 0.00 N ATOM 1352 CA ALA A 101 -6.036 14.971 -3.287 1.00 0.00 C ATOM 1353 C ALA A 101 -4.570 15.093 -2.872 1.00 0.00 C ATOM 1354 O ALA A 101 -3.756 15.644 -3.612 1.00 0.00 O ATOM 1355 CB ALA A 101 -6.996 15.392 -2.170 1.00 0.00 C ATOM 0 H ALA A 101 -6.390 12.943 -2.892 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.196 15.645 -4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.788 16.422 -1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.024 15.315 -2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.860 14.739 -1.308 1.00 0.00 H new ATOM 1361 N GLY A 102 -4.277 14.571 -1.691 1.00 0.00 N ATOM 1362 CA GLY A 102 -2.920 14.616 -1.169 1.00 0.00 C ATOM 1363 C GLY A 102 -2.911 14.429 0.349 1.00 0.00 C ATOM 1364 O GLY A 102 -2.258 15.186 1.068 1.00 0.00 O ATOM 0 H GLY A 102 -4.954 14.115 -1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.320 13.837 -1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -2.460 15.570 -1.424 1.00 0.00 H new ATOM 1368 N ASN A 103 -3.642 13.417 0.793 1.00 0.00 N ATOM 1369 CA ASN A 103 -3.725 13.120 2.214 1.00 0.00 C ATOM 1370 C ASN A 103 -3.234 11.692 2.461 1.00 0.00 C ATOM 1371 O ASN A 103 -3.167 10.884 1.536 1.00 0.00 O ATOM 1372 CB ASN A 103 -5.167 13.218 2.712 1.00 0.00 C ATOM 1373 CG ASN A 103 -5.820 14.522 2.250 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -5.707 15.561 2.882 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -6.508 14.411 1.118 1.00 0.00 N ATOM 0 H ASN A 103 -4.182 12.792 0.194 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.109 13.844 2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.742 12.369 2.342 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.184 13.165 3.801 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -6.982 15.225 0.727 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.562 13.512 0.640 1.00 0.00 H new ATOM 1382 N GLY A 104 -2.903 11.424 3.717 1.00 0.00 N ATOM 1383 CA GLY A 104 -2.421 10.107 4.099 1.00 0.00 C ATOM 1384 C GLY A 104 -3.446 9.378 4.968 1.00 0.00 C ATOM 1385 O GLY A 104 -3.528 9.616 6.171 1.00 0.00 O ATOM 0 H GLY A 104 -2.959 12.096 4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -2.213 9.519 3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.481 10.204 4.643 1.00 0.00 H new ATOM 1389 N PRO A 105 -4.228 8.482 4.305 1.00 0.00 N ATOM 1390 CA PRO A 105 -5.246 7.716 5.005 1.00 0.00 C ATOM 1391 C PRO A 105 -4.616 6.602 5.841 1.00 0.00 C ATOM 1392 O PRO A 105 -3.416 6.625 6.107 1.00 0.00 O ATOM 1393 CB PRO A 105 -6.164 7.194 3.911 1.00 0.00 C ATOM 1394 CG PRO A 105 -5.370 7.292 2.617 1.00 0.00 C ATOM 1395 CD PRO A 105 -4.161 8.176 2.879 1.00 0.00 C ATOM 0 HA PRO A 105 -5.805 8.315 5.724 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.462 6.164 4.109 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.078 7.785 3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.055 6.302 2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.986 7.713 1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.233 7.663 2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.196 9.084 2.277 1.00 0.00 H new ATOM 1403 N GLU A 106 -5.454 5.653 6.230 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.994 4.532 7.031 1.00 0.00 C ATOM 1405 C GLU A 106 -4.548 3.379 6.127 1.00 0.00 C ATOM 1406 O GLU A 106 -5.214 3.066 5.142 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.080 4.072 8.006 1.00 0.00 C ATOM 1408 CG GLU A 106 -5.488 3.774 9.386 1.00 0.00 C ATOM 1409 CD GLU A 106 -5.855 4.870 10.390 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -4.957 5.679 10.702 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -7.028 4.871 10.823 1.00 0.00 O ATOM 0 H GLU A 106 -6.449 5.637 6.005 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.137 4.860 7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.845 4.843 8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.570 3.180 7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.855 2.812 9.743 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.404 3.694 9.311 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.424 2.784 6.494 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.880 1.674 5.729 1.00 0.00 C ATOM 1421 C GLY A 107 -2.530 0.497 6.641 1.00 0.00 C ATOM 1422 O GLY A 107 -2.369 0.670 7.848 1.00 0.00 O ATOM 0 H GLY A 107 -2.874 3.049 7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.604 1.355 4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.989 2.000 5.192 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.421 -0.673 6.028 1.00 0.00 N ATOM 1427 CA VAL A 108 -2.092 -1.878 6.771 1.00 0.00 C ATOM 1428 C VAL A 108 -0.582 -2.116 6.703 1.00 0.00 C ATOM 1429 O VAL A 108 -0.030 -2.320 5.623 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.909 -3.058 6.241 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.486 -3.420 4.817 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.792 -4.266 7.171 1.00 0.00 C ATOM 0 H VAL A 108 -2.555 -0.812 5.026 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.356 -1.764 7.822 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.956 -2.756 6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.082 -4.262 4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.643 -2.563 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.431 -3.694 4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.382 -5.091 6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.747 -4.569 7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.163 -4.000 8.161 1.00 0.00 H new ATOM 1442 N ALA A 109 0.042 -2.083 7.872 1.00 0.00 N ATOM 1443 CA ALA A 109 1.477 -2.294 7.958 1.00 0.00 C ATOM 1444 C ALA A 109 1.805 -3.729 7.534 1.00 0.00 C ATOM 1445 O ALA A 109 1.784 -4.643 8.358 1.00 0.00 O ATOM 1446 CB ALA A 109 1.954 -1.985 9.380 1.00 0.00 C ATOM 0 H ALA A 109 -0.419 -1.914 8.766 1.00 0.00 H new ATOM 0 HA ALA A 109 2.004 -1.621 7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.030 -2.143 9.445 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.724 -0.948 9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.447 -2.644 10.085 1.00 0.00 H new ATOM 1452 N ILE A 110 2.097 -3.880 6.252 1.00 0.00 N ATOM 1453 CA ILE A 110 2.429 -5.186 5.708 1.00 0.00 C ATOM 1454 C ILE A 110 3.848 -5.566 6.135 1.00 0.00 C ATOM 1455 O ILE A 110 4.632 -4.704 6.529 1.00 0.00 O ATOM 1456 CB ILE A 110 2.216 -5.207 4.193 1.00 0.00 C ATOM 1457 CG1 ILE A 110 1.188 -6.269 3.800 1.00 0.00 C ATOM 1458 CG2 ILE A 110 3.543 -5.390 3.455 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.185 -5.954 4.397 1.00 0.00 C ATOM 0 H ILE A 110 2.111 -3.119 5.573 1.00 0.00 H new ATOM 0 HA ILE A 110 1.760 -5.947 6.110 1.00 0.00 H new ATOM 0 HB ILE A 110 1.812 -4.241 3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.112 -6.322 2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.522 -7.248 4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.363 -5.401 2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 110 4.213 -4.567 3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.000 -6.333 3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.896 -6.725 4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.111 -5.926 5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -0.527 -4.986 4.031 1.00 0.00 H new ATOM 1471 N SER A 111 4.136 -6.856 6.039 1.00 0.00 N ATOM 1472 CA SER A 111 5.447 -7.361 6.411 1.00 0.00 C ATOM 1473 C SER A 111 5.364 -8.857 6.716 1.00 0.00 C ATOM 1474 O SER A 111 5.840 -9.679 5.936 1.00 0.00 O ATOM 1475 CB SER A 111 6.008 -6.603 7.616 1.00 0.00 C ATOM 1476 OG SER A 111 6.974 -5.630 7.230 1.00 0.00 O ATOM 0 H SER A 111 3.483 -7.567 5.709 1.00 0.00 H new ATOM 0 HA SER A 111 6.124 -7.205 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.193 -6.113 8.148 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.463 -7.310 8.310 1.00 0.00 H new ATOM 0 HG SER A 111 6.524 -4.879 6.790 1.00 0.00 H new ATOM 1482 N PHE A 112 4.759 -9.164 7.853 1.00 0.00 N ATOM 1483 CA PHE A 112 4.608 -10.547 8.270 1.00 0.00 C ATOM 1484 C PHE A 112 3.894 -10.638 9.621 1.00 0.00 C ATOM 1485 O PHE A 112 3.887 -9.676 10.390 1.00 0.00 O ATOM 1486 CB PHE A 112 6.016 -11.128 8.413 1.00 0.00 C ATOM 1487 CG PHE A 112 6.096 -12.350 9.330 1.00 0.00 C ATOM 1488 CD1 PHE A 112 5.657 -13.559 8.892 1.00 0.00 C ATOM 1489 CD2 PHE A 112 6.607 -12.226 10.585 1.00 0.00 C ATOM 1490 CE1 PHE A 112 5.733 -14.693 9.743 1.00 0.00 C ATOM 1491 CE2 PHE A 112 6.681 -13.358 11.435 1.00 0.00 C ATOM 1492 CZ PHE A 112 6.243 -14.570 10.997 1.00 0.00 C ATOM 0 H PHE A 112 4.367 -8.479 8.499 1.00 0.00 H new ATOM 0 HA PHE A 112 4.014 -11.093 7.537 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.386 -11.403 7.425 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.680 -10.354 8.798 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.250 -13.657 7.896 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.956 -11.265 10.933 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.385 -15.654 9.394 1.00 0.00 H new ATOM 0 HE2 PHE A 112 7.085 -13.259 12.431 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.301 -15.432 11.645 1.00 0.00 H new ATOM 1502 N ASN A 113 3.311 -11.800 9.869 1.00 0.00 N ATOM 1503 CA ASN A 113 2.596 -12.029 11.115 1.00 0.00 C ATOM 1504 C ASN A 113 3.533 -11.758 12.293 1.00 0.00 C ATOM 1505 O ASN A 113 3.135 -11.883 13.451 1.00 0.00 O ATOM 1506 CB ASN A 113 2.116 -13.478 11.216 1.00 0.00 C ATOM 1507 CG ASN A 113 0.597 -13.541 11.398 1.00 0.00 C ATOM 1508 OD1 ASN A 113 -0.166 -12.907 10.688 1.00 0.00 O ATOM 1509 ND2 ASN A 113 0.203 -14.338 12.389 1.00 0.00 N ATOM 0 H ASN A 113 3.318 -12.594 9.229 1.00 0.00 H new ATOM 0 HA ASN A 113 1.735 -11.361 11.137 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.401 -14.023 10.316 1.00 0.00 H new ATOM 0 HB3 ASN A 113 2.607 -13.970 12.055 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.791 -14.446 12.592 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.895 -14.840 12.945 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.636 7.025 1.168 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.197 6.485 -0.047 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.555 5.293 -0.027 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -0.997 4.702 -1.205 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.662 5.277 -2.415 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.092 6.462 -2.465 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.504 7.119 -1.272 1.00 0.00 C HETATM 1524 C11 NCZ A 130 0.858 8.521 -1.317 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.290 9.011 -2.360 1.00 0.00 O HETATM 1526 O4 NCZ A 130 0.782 9.430 -0.169 1.00 0.00 O HETATM 1527 C12 NCZ A 130 1.135 10.840 -0.364 1.00 0.00 C HETATM 1528 C13 NCZ A 130 1.717 11.465 0.907 1.00 0.00 C HETATM 1529 C14 NCZ A 130 0.742 12.107 1.567 1.00 0.00 C HETATM 1530 C15 NCZ A 130 -0.507 12.239 0.779 1.00 0.00 C HETATM 1531 C16 NCZ A 130 -0.141 11.665 -0.604 1.00 0.00 C HETATM 1532 O6 NCZ A 130 0.087 12.779 -1.511 1.00 0.00 O HETATM 1533 O5 NCZ A 130 2.742 12.400 0.563 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.380 6.979 -3.738 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -0.859 4.724 1.188 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.419 5.300 2.371 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.335 6.448 2.373 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.763 6.972 3.583 1.00 0.00 O HETATM 1539 C17 NCZ A 130 1.176 8.338 3.797 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.686 3.482 1.303 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.669 3.658 0.867 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.194 2.667 0.772 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -1.798 3.215 2.354 1.00 0.00 H new HETATM 0 H173 NCZ A 130 2.028 8.565 3.156 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.352 9.009 3.557 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.461 8.473 4.840 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.986 4.806 -3.343 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.601 3.795 -1.174 1.00 0.00 H new HETATM 0 H6 NCZ A 130 1.051 12.926 -1.613 1.00 0.00 H new HETATM 0 H5 NCZ A 130 2.849 12.424 -0.411 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -0.678 4.831 3.320 1.00 0.00 H new HETATM 0 H2 NCZ A 130 1.351 6.998 -3.872 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -0.917 11.042 -1.049 1.00 0.00 H new HETATM 0 H15 NCZ A 130 -1.464 12.648 1.103 1.00 0.00 H new HETATM 0 H14 NCZ A 130 0.856 12.493 2.580 1.00 0.00 H new HETATM 0 H13 NCZ A 130 2.140 10.680 1.534 1.00 0.00 H new HETATM 0 H12 NCZ A 130 1.843 10.857 -1.192 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.237 7.934 1.154 1.00 0.00 H new