USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 973 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 73 TYR OH : rot 180:sc= 0.239 USER MOD Set 1.2: A 119 ASN : amide:sc= -1.49 K(o=-1.2,f=-8!) USER MOD Set 2.1: A 45 THR OG1 : rot 166:sc= -0.867 USER MOD Set 2.2: A 48 GLN : amide:sc= 0.178 K(o=-0.69,f=-4.2) USER MOD Set 3.1: A 21 THR OG1 : rot 10:sc= 1.6 USER MOD Set 3.2: A 100 GLN : amide:sc= -0.238 K(o=1.4,f=-0.87!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.243 F(o=-1.1,f=-0.24) USER MOD Single : A 13 ASN :FLIP amide:sc= -4.82! C(o=-8!,f=-4.8!) USER MOD Single : A 15 ASN : amide:sc= -0.672 X(o=-0.67,f=-0.5) USER MOD Single : A 16 ASN : amide:sc= -2.77 X(o=-2.8,f=-2.7!) USER MOD Single : A 31 ASN : amide:sc= -2.28 K(o=-2.3,f=-4.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -107:sc= -0.977 (180deg=-2.62!) USER MOD Single : A 42 MET CE :methyl -154:sc= -0.582 (180deg=-1.65!) USER MOD Single : A 55 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.05) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 63 GLN : amide:sc= -0.0674 K(o=-0.067,f=-1.1) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -20.6! C(o=-23!,f=-21!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0805) USER MOD Single : A 79 HIS : no HD1:sc= -0.559 K(o=-0.56,f=-1.5) USER MOD Single : A 81 THR OG1 : rot -120:sc= -1.66! USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -156:sc= -0.823 (180deg=-1.42) USER MOD Single : A 106 SER OG : rot 24:sc= 0.737 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -113:sc=-0.00769 (180deg=-0.383) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.998 -5.913 -4.427 1.00 0.00 N ATOM 21 CA LYS A 2 -20.854 -5.188 -4.965 1.00 0.00 C ATOM 22 C LYS A 2 -19.565 -5.611 -4.269 1.00 0.00 C ATOM 23 O LYS A 2 -19.567 -5.940 -3.082 1.00 0.00 O ATOM 24 CB LYS A 2 -21.059 -3.680 -4.809 1.00 0.00 C ATOM 25 CG LYS A 2 -20.055 -2.845 -5.587 1.00 0.00 C ATOM 26 CD LYS A 2 -20.559 -2.527 -6.984 1.00 0.00 C ATOM 27 CE LYS A 2 -19.428 -2.537 -8.001 1.00 0.00 C ATOM 28 NZ LYS A 2 -19.883 -3.022 -9.333 1.00 0.00 N ATOM 0 HA LYS A 2 -20.770 -5.429 -6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.066 -3.423 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.993 -3.420 -3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.858 -1.917 -5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.108 -3.381 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.316 -3.256 -7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.041 -1.549 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.021 -1.531 -8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.620 -3.173 -7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -19.083 -3.014 -9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -20.248 -3.992 -9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -20.636 -2.400 -9.690 1.00 0.00 H new ATOM 42 N LYS A 3 -18.464 -5.601 -5.014 1.00 0.00 N ATOM 43 CA LYS A 3 -17.167 -5.983 -4.469 1.00 0.00 C ATOM 44 C LYS A 3 -16.075 -5.034 -4.950 1.00 0.00 C ATOM 45 O LYS A 3 -16.097 -4.571 -6.090 1.00 0.00 O ATOM 46 CB LYS A 3 -16.825 -7.421 -4.866 1.00 0.00 C ATOM 47 CG LYS A 3 -16.629 -7.613 -6.361 1.00 0.00 C ATOM 48 CD LYS A 3 -15.676 -8.760 -6.656 1.00 0.00 C ATOM 49 CE LYS A 3 -16.393 -10.101 -6.624 1.00 0.00 C ATOM 50 NZ LYS A 3 -15.531 -11.202 -7.134 1.00 0.00 N ATOM 0 H LYS A 3 -18.445 -5.332 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.224 -5.920 -3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.916 -7.725 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.622 -8.082 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.592 -7.808 -6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.240 -6.694 -6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.220 -8.613 -7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.868 -8.761 -5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.701 -10.324 -5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.301 -10.042 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.055 -12.099 -7.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.258 -11.002 -8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.677 -11.275 -6.545 1.00 0.00 H new ATOM 64 N LEU A 4 -15.122 -4.744 -4.069 1.00 0.00 N ATOM 65 CA LEU A 4 -14.023 -3.845 -4.399 1.00 0.00 C ATOM 66 C LEU A 4 -12.739 -4.277 -3.692 1.00 0.00 C ATOM 67 O LEU A 4 -12.691 -4.347 -2.469 1.00 0.00 O ATOM 68 CB LEU A 4 -14.393 -2.411 -4.012 1.00 0.00 C ATOM 69 CG LEU A 4 -14.348 -2.104 -2.513 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.952 -1.670 -2.094 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.371 -1.035 -2.161 1.00 0.00 C ATOM 0 H LEU A 4 -15.089 -5.119 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.846 -3.888 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.717 -1.728 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.398 -2.201 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.597 -3.014 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.943 -1.457 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.242 -2.468 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.669 -0.773 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.327 -0.827 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.151 -0.124 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.369 -1.387 -2.422 1.00 0.00 H new ATOM 83 N GLN A 5 -11.706 -4.581 -4.467 1.00 0.00 N ATOM 84 CA GLN A 5 -10.434 -5.025 -3.901 1.00 0.00 C ATOM 85 C GLN A 5 -9.395 -3.911 -3.894 1.00 0.00 C ATOM 86 O GLN A 5 -9.449 -2.980 -4.696 1.00 0.00 O ATOM 87 CB GLN A 5 -9.879 -6.209 -4.695 1.00 0.00 C ATOM 88 CG GLN A 5 -10.945 -7.184 -5.166 1.00 0.00 C ATOM 89 CD GLN A 5 -10.377 -8.309 -6.009 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.337 -8.962 -5.503 1.00 0.00 O flip ATOM 91 NE2 GLN A 5 -10.866 -8.588 -7.104 1.00 0.00 N flip ATOM 0 H GLN A 5 -11.721 -4.529 -5.486 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.633 -5.323 -2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.337 -5.831 -5.562 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.158 -6.744 -4.076 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.454 -7.606 -4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.695 -6.645 -5.745 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.665 -8.060 -7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.472 -9.347 -7.660 1.00 0.00 H new ATOM 100 N ILE A 6 -8.438 -4.037 -2.985 1.00 0.00 N ATOM 101 CA ILE A 6 -7.355 -3.073 -2.856 1.00 0.00 C ATOM 102 C ILE A 6 -6.076 -3.785 -2.427 1.00 0.00 C ATOM 103 O ILE A 6 -6.042 -4.435 -1.384 1.00 0.00 O ATOM 104 CB ILE A 6 -7.679 -1.949 -1.844 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.738 -2.406 -0.829 1.00 0.00 C ATOM 106 CG2 ILE A 6 -8.132 -0.690 -2.575 1.00 0.00 C ATOM 107 CD1 ILE A 6 -10.146 -2.460 -1.383 1.00 0.00 C ATOM 0 H ILE A 6 -8.391 -4.808 -2.319 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.222 -2.609 -3.833 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.769 -1.717 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.467 -3.395 -0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.722 -1.730 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.356 0.091 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.338 -0.350 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.026 -0.910 -3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.831 -2.792 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.440 -1.468 -1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.182 -3.159 -2.219 1.00 0.00 H new ATOM 119 N ALA A 7 -5.030 -3.662 -3.233 1.00 0.00 N ATOM 120 CA ALA A 7 -3.757 -4.302 -2.921 1.00 0.00 C ATOM 121 C ALA A 7 -2.649 -3.269 -2.843 1.00 0.00 C ATOM 122 O ALA A 7 -2.434 -2.513 -3.783 1.00 0.00 O ATOM 123 CB ALA A 7 -3.423 -5.352 -3.968 1.00 0.00 C ATOM 0 H ALA A 7 -5.036 -3.129 -4.103 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.845 -4.791 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.470 -5.821 -3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.206 -6.110 -3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.352 -4.879 -4.948 1.00 0.00 H new ATOM 129 N VAL A 8 -1.948 -3.242 -1.718 1.00 0.00 N ATOM 130 CA VAL A 8 -0.871 -2.284 -1.522 1.00 0.00 C ATOM 131 C VAL A 8 0.458 -2.971 -1.246 1.00 0.00 C ATOM 132 O VAL A 8 0.508 -4.148 -0.889 1.00 0.00 O ATOM 133 CB VAL A 8 -1.177 -1.303 -0.365 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.667 -1.264 -0.056 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.377 -1.668 0.879 1.00 0.00 C ATOM 0 H VAL A 8 -2.106 -3.870 -0.930 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.795 -1.725 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.876 -0.305 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.851 -0.566 0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.214 -0.939 -0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.005 -2.259 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.608 -0.965 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.638 -2.678 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.688 -1.623 0.653 1.00 0.00 H new ATOM 145 N GLY A 9 1.531 -2.211 -1.406 1.00 0.00 N ATOM 146 CA GLY A 9 2.856 -2.730 -1.163 1.00 0.00 C ATOM 147 C GLY A 9 3.785 -1.673 -0.599 1.00 0.00 C ATOM 148 O GLY A 9 4.016 -0.643 -1.233 1.00 0.00 O ATOM 0 H GLY A 9 1.504 -1.235 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.796 -3.568 -0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.270 -3.117 -2.094 1.00 0.00 H new ATOM 152 N ILE A 10 4.323 -1.925 0.589 1.00 0.00 N ATOM 153 CA ILE A 10 5.236 -0.974 1.225 1.00 0.00 C ATOM 154 C ILE A 10 6.563 -0.953 0.477 1.00 0.00 C ATOM 155 O ILE A 10 7.355 -1.887 0.583 1.00 0.00 O ATOM 156 CB ILE A 10 5.505 -1.296 2.723 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.649 -2.474 3.211 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.251 -0.065 3.585 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.778 -2.745 4.696 1.00 0.00 C ATOM 0 H ILE A 10 4.147 -2.772 1.130 1.00 0.00 H new ATOM 0 HA ILE A 10 4.750 0.001 1.182 1.00 0.00 H new ATOM 0 HB ILE A 10 6.552 -1.585 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.604 -2.274 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.933 -3.371 2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.444 -0.307 4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.913 0.742 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.214 0.251 3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.145 -3.590 4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.816 -2.977 4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.466 -1.863 5.255 1.00 0.00 H new ATOM 171 N ILE A 11 6.793 0.111 -0.291 1.00 0.00 N ATOM 172 CA ILE A 11 8.020 0.239 -1.072 1.00 0.00 C ATOM 173 C ILE A 11 9.227 0.506 -0.183 1.00 0.00 C ATOM 174 O ILE A 11 9.260 1.482 0.563 1.00 0.00 O ATOM 175 CB ILE A 11 7.920 1.363 -2.120 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.509 1.428 -2.714 1.00 0.00 C ATOM 177 CG2 ILE A 11 8.954 1.142 -3.215 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.434 2.204 -4.011 1.00 0.00 C ATOM 0 H ILE A 11 6.147 0.894 -0.388 1.00 0.00 H new ATOM 0 HA ILE A 11 8.151 -0.715 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 11 8.122 2.316 -1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.149 0.414 -2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.838 1.886 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.878 1.940 -3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.953 1.145 -2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.772 0.182 -3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.406 2.208 -4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.763 3.229 -3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.079 1.734 -4.754 1.00 0.00 H new ATOM 190 N ARG A 12 10.216 -0.376 -0.268 1.00 0.00 N ATOM 191 CA ARG A 12 11.430 -0.252 0.531 1.00 0.00 C ATOM 192 C ARG A 12 12.453 0.658 -0.134 1.00 0.00 C ATOM 193 O ARG A 12 12.811 0.466 -1.299 1.00 0.00 O ATOM 194 CB ARG A 12 12.050 -1.625 0.778 1.00 0.00 C ATOM 195 CG ARG A 12 11.884 -2.110 2.206 1.00 0.00 C ATOM 196 CD ARG A 12 13.224 -2.247 2.912 1.00 0.00 C ATOM 197 NE ARG A 12 13.212 -3.315 3.909 1.00 0.00 N ATOM 198 CZ ARG A 12 14.307 -3.792 4.498 1.00 0.00 C ATOM 199 NH1 ARG A 12 15.500 -3.298 4.194 1.00 0.00 N ATOM 200 NH2 ARG A 12 14.207 -4.765 5.393 1.00 0.00 N ATOM 0 H ARG A 12 10.201 -1.188 -0.885 1.00 0.00 H new ATOM 0 HA ARG A 12 11.145 0.195 1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.596 -2.348 0.101 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.112 -1.585 0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.252 -1.413 2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.372 -3.072 2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.003 -2.447 2.176 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.477 -1.303 3.395 1.00 0.00 H new ATOM 0 HE ARG A 12 12.312 -3.719 4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.582 -2.549 3.506 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.336 -3.667 4.648 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.292 -5.148 5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.045 -5.131 5.844 1.00 0.00 H new ATOM 214 N ASN A 13 12.920 1.638 0.632 1.00 0.00 N ATOM 215 CA ASN A 13 13.914 2.598 0.162 1.00 0.00 C ATOM 216 C ASN A 13 15.327 2.052 0.294 1.00 0.00 C ATOM 217 O ASN A 13 15.539 0.882 0.611 1.00 0.00 O ATOM 218 CB ASN A 13 13.813 3.912 0.926 1.00 0.00 C ATOM 219 CG ASN A 13 14.408 5.103 0.191 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.295 5.114 -1.133 1.00 0.00 O flip ATOM 221 ND2 ASN A 13 14.965 6.008 0.811 1.00 0.00 N flip ATOM 0 H ASN A 13 12.621 1.790 1.595 1.00 0.00 H new ATOM 0 HA ASN A 13 13.703 2.777 -0.892 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.764 4.117 1.139 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.317 3.802 1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.032 5.964 1.828 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.360 6.803 0.308 1.00 0.00 H new ATOM 228 N GLU A 14 16.281 2.927 0.032 1.00 0.00 N ATOM 229 CA GLU A 14 17.697 2.592 0.092 1.00 0.00 C ATOM 230 C GLU A 14 18.255 2.693 1.517 1.00 0.00 C ATOM 231 O GLU A 14 19.460 2.549 1.725 1.00 0.00 O ATOM 232 CB GLU A 14 18.472 3.530 -0.835 1.00 0.00 C ATOM 233 CG GLU A 14 19.979 3.326 -0.803 1.00 0.00 C ATOM 234 CD GLU A 14 20.673 3.916 -2.016 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.101 3.837 -3.124 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.787 4.457 -1.858 1.00 0.00 O ATOM 0 H GLU A 14 16.097 3.895 -0.230 1.00 0.00 H new ATOM 0 HA GLU A 14 17.813 1.557 -0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.118 3.389 -1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.249 4.561 -0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.385 3.781 0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.197 2.259 -0.747 1.00 0.00 H new ATOM 243 N ASN A 15 17.389 2.945 2.495 1.00 0.00 N ATOM 244 CA ASN A 15 17.832 3.067 3.881 1.00 0.00 C ATOM 245 C ASN A 15 16.832 2.429 4.843 1.00 0.00 C ATOM 246 O ASN A 15 16.385 3.062 5.799 1.00 0.00 O ATOM 247 CB ASN A 15 18.035 4.540 4.239 1.00 0.00 C ATOM 248 CG ASN A 15 18.558 4.728 5.650 1.00 0.00 C ATOM 249 OD1 ASN A 15 18.000 5.494 6.435 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.637 4.027 5.980 1.00 0.00 N ATOM 0 H ASN A 15 16.386 3.068 2.356 1.00 0.00 H new ATOM 0 HA ASN A 15 18.779 2.537 3.979 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.734 4.989 3.533 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.089 5.070 4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.034 4.113 6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.068 3.403 5.298 1.00 0.00 H new ATOM 257 N ASN A 16 16.484 1.171 4.579 1.00 0.00 N ATOM 258 CA ASN A 16 15.534 0.434 5.415 1.00 0.00 C ATOM 259 C ASN A 16 14.306 1.281 5.751 1.00 0.00 C ATOM 260 O ASN A 16 13.630 1.046 6.752 1.00 0.00 O ATOM 261 CB ASN A 16 16.212 -0.046 6.702 1.00 0.00 C ATOM 262 CG ASN A 16 16.607 1.097 7.618 1.00 0.00 C ATOM 263 OD1 ASN A 16 15.753 1.819 8.132 1.00 0.00 O ATOM 264 ND2 ASN A 16 17.907 1.264 7.829 1.00 0.00 N ATOM 0 H ASN A 16 16.847 0.637 3.789 1.00 0.00 H new ATOM 0 HA ASN A 16 15.198 -0.432 4.845 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.538 -0.716 7.235 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.100 -0.624 6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.233 2.015 8.438 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.580 0.642 7.382 1.00 0.00 H new ATOM 271 N GLU A 17 14.015 2.253 4.894 1.00 0.00 N ATOM 272 CA GLU A 17 12.862 3.123 5.074 1.00 0.00 C ATOM 273 C GLU A 17 11.917 2.935 3.901 1.00 0.00 C ATOM 274 O GLU A 17 12.360 2.696 2.787 1.00 0.00 O ATOM 275 CB GLU A 17 13.300 4.587 5.175 1.00 0.00 C ATOM 276 CG GLU A 17 14.162 5.046 4.011 1.00 0.00 C ATOM 277 CD GLU A 17 14.805 6.396 4.259 1.00 0.00 C ATOM 278 OE1 GLU A 17 15.108 6.703 5.432 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.006 7.147 3.282 1.00 0.00 O ATOM 0 H GLU A 17 14.568 2.458 4.062 1.00 0.00 H new ATOM 0 HA GLU A 17 12.353 2.861 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.414 5.219 5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.853 4.729 6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.940 4.306 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.551 5.099 3.110 1.00 0.00 H new ATOM 286 N ILE A 18 10.619 3.016 4.143 1.00 0.00 N ATOM 287 CA ILE A 18 9.650 2.821 3.074 1.00 0.00 C ATOM 288 C ILE A 18 8.852 4.090 2.788 1.00 0.00 C ATOM 289 O ILE A 18 8.389 4.773 3.702 1.00 0.00 O ATOM 290 CB ILE A 18 8.694 1.655 3.411 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.412 0.317 3.227 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.427 1.702 2.561 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.955 -0.755 4.191 1.00 0.00 C ATOM 0 H ILE A 18 10.214 3.213 5.058 1.00 0.00 H new ATOM 0 HA ILE A 18 10.211 2.573 2.173 1.00 0.00 H new ATOM 0 HB ILE A 18 8.393 1.759 4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.254 -0.033 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.484 0.470 3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.779 0.866 2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.902 2.640 2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.694 1.633 1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.508 -1.675 4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.138 -0.426 5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.889 -0.937 4.054 1.00 0.00 H new ATOM 305 N PHE A 19 8.690 4.382 1.500 1.00 0.00 N ATOM 306 CA PHE A 19 7.942 5.552 1.059 1.00 0.00 C ATOM 307 C PHE A 19 6.446 5.257 1.095 1.00 0.00 C ATOM 308 O PHE A 19 5.956 4.382 0.381 1.00 0.00 O ATOM 309 CB PHE A 19 8.392 5.952 -0.356 1.00 0.00 C ATOM 310 CG PHE A 19 7.314 6.552 -1.221 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.419 5.740 -1.901 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.203 7.927 -1.361 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.434 6.287 -2.702 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.220 8.479 -2.161 1.00 0.00 C ATOM 315 CZ PHE A 19 5.335 7.658 -2.832 1.00 0.00 C ATOM 0 H PHE A 19 9.071 3.819 0.740 1.00 0.00 H new ATOM 0 HA PHE A 19 8.140 6.386 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.210 6.668 -0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.790 5.070 -0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.492 4.667 -1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.892 8.574 -0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.743 5.643 -3.225 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.144 9.552 -2.261 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.567 8.088 -3.457 1.00 0.00 H new ATOM 325 N ILE A 20 5.725 5.986 1.938 1.00 0.00 N ATOM 326 CA ILE A 20 4.286 5.796 2.070 1.00 0.00 C ATOM 327 C ILE A 20 3.532 7.053 1.651 1.00 0.00 C ATOM 328 O ILE A 20 3.858 8.158 2.085 1.00 0.00 O ATOM 329 CB ILE A 20 3.883 5.428 3.515 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.058 4.793 4.267 1.00 0.00 C ATOM 331 CG2 ILE A 20 2.689 4.488 3.502 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.783 4.572 5.738 1.00 0.00 C ATOM 0 H ILE A 20 6.112 6.713 2.539 1.00 0.00 H new ATOM 0 HA ILE A 20 4.018 4.969 1.412 1.00 0.00 H new ATOM 0 HB ILE A 20 3.604 6.343 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.302 3.837 3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.935 5.432 4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.414 4.235 4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.847 4.976 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.948 3.578 2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.657 4.120 6.208 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.568 5.528 6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.926 3.909 5.852 1.00 0.00 H new ATOM 344 N THR A 21 2.525 6.877 0.805 1.00 0.00 N ATOM 345 CA THR A 21 1.724 7.997 0.326 1.00 0.00 C ATOM 346 C THR A 21 0.819 8.536 1.430 1.00 0.00 C ATOM 347 O THR A 21 -0.125 7.871 1.853 1.00 0.00 O ATOM 348 CB THR A 21 0.882 7.564 -0.873 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.035 6.551 -0.501 1.00 0.00 O ATOM 350 CG2 THR A 21 1.709 7.034 -2.025 1.00 0.00 C ATOM 0 H THR A 21 2.243 5.969 0.436 1.00 0.00 H new ATOM 0 HA THR A 21 2.403 8.794 0.021 1.00 0.00 H new ATOM 0 HB THR A 21 0.364 8.464 -1.203 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.044 6.460 0.475 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.050 6.744 -2.843 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.394 7.809 -2.368 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.280 6.166 -1.694 1.00 0.00 H new ATOM 358 N ARG A 22 1.103 9.750 1.888 1.00 0.00 N ATOM 359 CA ARG A 22 0.306 10.370 2.935 1.00 0.00 C ATOM 360 C ARG A 22 -0.820 11.189 2.321 1.00 0.00 C ATOM 361 O ARG A 22 -0.865 11.381 1.106 1.00 0.00 O ATOM 362 CB ARG A 22 1.187 11.263 3.812 1.00 0.00 C ATOM 363 CG ARG A 22 0.616 11.514 5.199 1.00 0.00 C ATOM 364 CD ARG A 22 0.172 12.959 5.373 1.00 0.00 C ATOM 365 NE ARG A 22 0.736 13.563 6.579 1.00 0.00 N ATOM 366 CZ ARG A 22 2.001 13.962 6.686 1.00 0.00 C ATOM 367 NH1 ARG A 22 2.837 13.822 5.664 1.00 0.00 N ATOM 368 NH2 ARG A 22 2.432 14.501 7.817 1.00 0.00 N ATOM 0 H ARG A 22 1.877 10.322 1.551 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.127 9.585 3.556 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.170 10.803 3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.332 12.220 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.232 10.850 5.369 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.367 11.271 5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.475 13.539 4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.916 13.001 5.421 1.00 0.00 H new ATOM 0 HE ARG A 22 0.124 13.686 7.386 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.511 13.407 4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.806 14.130 5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.794 14.610 8.606 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.402 14.807 7.899 1.00 0.00 H new ATOM 493 N ASN A 31 -5.421 11.790 8.454 1.00 0.00 N ATOM 494 CA ASN A 31 -5.092 10.572 9.187 1.00 0.00 C ATOM 495 C ASN A 31 -5.360 9.325 8.345 1.00 0.00 C ATOM 496 O ASN A 31 -5.702 8.269 8.877 1.00 0.00 O ATOM 497 CB ASN A 31 -5.896 10.509 10.489 1.00 0.00 C ATOM 498 CG ASN A 31 -5.020 10.663 11.718 1.00 0.00 C ATOM 499 OD1 ASN A 31 -3.857 11.056 11.621 1.00 0.00 O ATOM 500 ND2 ASN A 31 -5.576 10.353 12.883 1.00 0.00 N ATOM 0 HA ASN A 31 -4.028 10.598 9.421 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.652 11.294 10.484 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.425 9.557 10.540 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.036 10.437 13.744 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.543 10.031 12.917 1.00 0.00 H new ATOM 507 N LYS A 32 -5.205 9.450 7.028 1.00 0.00 N ATOM 508 CA LYS A 32 -5.432 8.327 6.123 1.00 0.00 C ATOM 509 C LYS A 32 -4.142 7.891 5.445 1.00 0.00 C ATOM 510 O LYS A 32 -4.158 7.327 4.351 1.00 0.00 O ATOM 511 CB LYS A 32 -6.487 8.682 5.075 1.00 0.00 C ATOM 512 CG LYS A 32 -7.822 7.992 5.301 1.00 0.00 C ATOM 513 CD LYS A 32 -8.914 8.591 4.431 1.00 0.00 C ATOM 514 CE LYS A 32 -9.868 7.524 3.918 1.00 0.00 C ATOM 515 NZ LYS A 32 -10.933 8.099 3.052 1.00 0.00 N ATOM 0 H LYS A 32 -4.924 10.315 6.566 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.798 7.492 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.640 9.761 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.111 8.414 4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.724 6.929 5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.104 8.078 6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.471 9.333 5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.463 9.113 3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.308 6.777 3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.326 7.010 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.562 7.338 2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.484 8.794 3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.498 8.567 2.231 1.00 0.00 H new ATOM 529 N LEU A 33 -3.030 8.153 6.110 1.00 0.00 N ATOM 530 CA LEU A 33 -1.713 7.788 5.596 1.00 0.00 C ATOM 531 C LEU A 33 -1.706 6.342 5.101 1.00 0.00 C ATOM 532 O LEU A 33 -2.107 5.432 5.823 1.00 0.00 O ATOM 533 CB LEU A 33 -0.670 7.976 6.701 1.00 0.00 C ATOM 534 CG LEU A 33 0.772 8.164 6.230 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.725 8.146 7.416 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.157 7.091 5.223 1.00 0.00 C ATOM 0 H LEU A 33 -3.010 8.621 7.016 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.470 8.433 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.953 8.843 7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.707 7.109 7.361 1.00 0.00 H new ATOM 0 HG LEU A 33 0.846 9.134 5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.747 8.281 7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.468 8.954 8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.643 7.190 7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.187 7.246 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.064 6.108 5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.496 7.149 4.359 1.00 0.00 H new ATOM 548 N GLU A 34 -1.254 6.132 3.868 1.00 0.00 N ATOM 549 CA GLU A 34 -1.209 4.788 3.297 1.00 0.00 C ATOM 550 C GLU A 34 -0.176 4.690 2.179 1.00 0.00 C ATOM 551 O GLU A 34 0.579 5.628 1.933 1.00 0.00 O ATOM 552 CB GLU A 34 -2.591 4.387 2.771 1.00 0.00 C ATOM 553 CG GLU A 34 -2.969 2.946 3.076 1.00 0.00 C ATOM 554 CD GLU A 34 -3.452 2.756 4.500 1.00 0.00 C ATOM 555 OE1 GLU A 34 -2.670 3.037 5.433 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.609 2.323 4.681 1.00 0.00 O ATOM 0 H GLU A 34 -0.916 6.868 3.248 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.913 4.101 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.341 5.049 3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.617 4.539 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.750 2.626 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.106 2.304 2.901 1.00 0.00 H new ATOM 563 N PHE A 35 -0.144 3.543 1.509 1.00 0.00 N ATOM 564 CA PHE A 35 0.801 3.320 0.420 1.00 0.00 C ATOM 565 C PHE A 35 0.079 3.028 -0.897 1.00 0.00 C ATOM 566 O PHE A 35 -1.096 2.662 -0.908 1.00 0.00 O ATOM 567 CB PHE A 35 1.761 2.163 0.749 1.00 0.00 C ATOM 568 CG PHE A 35 1.553 1.533 2.102 1.00 0.00 C ATOM 569 CD1 PHE A 35 0.365 0.891 2.408 1.00 0.00 C ATOM 570 CD2 PHE A 35 2.549 1.582 3.063 1.00 0.00 C ATOM 571 CE1 PHE A 35 0.174 0.308 3.648 1.00 0.00 C ATOM 572 CE2 PHE A 35 2.364 1.003 4.304 1.00 0.00 C ATOM 573 CZ PHE A 35 1.175 0.366 4.597 1.00 0.00 C ATOM 0 H PHE A 35 -0.761 2.754 1.700 1.00 0.00 H new ATOM 0 HA PHE A 35 1.377 4.238 0.304 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.654 1.393 -0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.785 2.531 0.689 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.422 0.845 1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.482 2.079 2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.757 -0.192 3.873 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.149 1.049 5.044 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.028 -0.086 5.567 1.00 0.00 H new ATOM 583 N PRO A 36 0.800 3.159 -2.025 1.00 0.00 N ATOM 584 CA PRO A 36 0.267 2.883 -3.365 1.00 0.00 C ATOM 585 C PRO A 36 -0.388 1.507 -3.438 1.00 0.00 C ATOM 586 O PRO A 36 -0.251 0.702 -2.518 1.00 0.00 O ATOM 587 CB PRO A 36 1.498 2.951 -4.281 1.00 0.00 C ATOM 588 CG PRO A 36 2.676 2.924 -3.366 1.00 0.00 C ATOM 589 CD PRO A 36 2.215 3.553 -2.086 1.00 0.00 C ATOM 0 HA PRO A 36 -0.511 3.592 -3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.519 2.109 -4.973 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.489 3.859 -4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.017 1.902 -3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.515 3.475 -3.792 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.776 3.183 -1.228 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.334 4.636 -2.101 1.00 0.00 H new ATOM 597 N GLY A 37 -1.107 1.237 -4.526 1.00 0.00 N ATOM 598 CA GLY A 37 -1.772 -0.049 -4.661 1.00 0.00 C ATOM 599 C GLY A 37 -3.261 -0.001 -4.394 1.00 0.00 C ATOM 600 O GLY A 37 -3.784 -0.681 -3.513 1.00 0.00 O ATOM 0 H GLY A 37 -1.240 1.878 -5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.606 -0.429 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.312 -0.759 -3.973 1.00 0.00 H new ATOM 604 N GLY A 38 -3.931 0.807 -5.184 1.00 0.00 N ATOM 605 CA GLY A 38 -5.370 0.959 -5.083 1.00 0.00 C ATOM 606 C GLY A 38 -6.047 0.812 -6.437 1.00 0.00 C ATOM 607 O GLY A 38 -5.806 1.622 -7.334 1.00 0.00 O ATOM 0 H GLY A 38 -3.499 1.376 -5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.767 0.213 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.604 1.937 -4.663 1.00 0.00 H new ATOM 611 N LYS A 39 -6.890 -0.225 -6.583 1.00 0.00 N ATOM 612 CA LYS A 39 -7.618 -0.502 -7.830 1.00 0.00 C ATOM 613 C LYS A 39 -7.155 -1.807 -8.476 1.00 0.00 C ATOM 614 O LYS A 39 -7.598 -2.149 -9.572 1.00 0.00 O ATOM 615 CB LYS A 39 -7.486 0.638 -8.844 1.00 0.00 C ATOM 616 CG LYS A 39 -8.340 0.440 -10.084 1.00 0.00 C ATOM 617 CD LYS A 39 -9.197 1.662 -10.376 1.00 0.00 C ATOM 618 CE LYS A 39 -10.209 1.912 -9.269 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.727 2.930 -8.294 1.00 0.00 N ATOM 0 H LYS A 39 -7.085 -0.894 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.667 -0.595 -7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.766 1.576 -8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.442 0.731 -9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.697 0.233 -10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.981 -0.431 -9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.557 2.537 -10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.719 1.523 -11.323 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.150 2.245 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.414 0.977 -8.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.464 2.461 -7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.898 3.420 -8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.483 3.620 -8.111 1.00 0.00 H new ATOM 633 N ILE A 40 -6.275 -2.548 -7.798 1.00 0.00 N ATOM 634 CA ILE A 40 -5.787 -3.820 -8.335 1.00 0.00 C ATOM 635 C ILE A 40 -6.954 -4.693 -8.763 1.00 0.00 C ATOM 636 O ILE A 40 -6.843 -5.519 -9.671 1.00 0.00 O ATOM 637 CB ILE A 40 -4.912 -4.589 -7.323 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.771 -5.350 -6.298 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.967 -3.624 -6.630 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.239 -6.728 -5.962 1.00 0.00 C ATOM 0 H ILE A 40 -5.890 -2.294 -6.888 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.165 -3.582 -9.198 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.328 -5.332 -7.866 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.835 -4.762 -5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.785 -5.446 -6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.350 -4.169 -5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.327 -3.146 -7.372 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.545 -2.863 -6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.896 -7.204 -5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.201 -7.334 -6.867 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.237 -6.639 -5.543 1.00 0.00 H new ATOM 652 N GLU A 41 -8.070 -4.489 -8.082 1.00 0.00 N ATOM 653 CA GLU A 41 -9.297 -5.225 -8.336 1.00 0.00 C ATOM 654 C GLU A 41 -9.542 -5.386 -9.831 1.00 0.00 C ATOM 655 O GLU A 41 -9.261 -6.442 -10.395 1.00 0.00 O ATOM 656 CB GLU A 41 -10.477 -4.509 -7.672 1.00 0.00 C ATOM 657 CG GLU A 41 -10.367 -2.985 -7.678 1.00 0.00 C ATOM 658 CD GLU A 41 -11.558 -2.312 -8.332 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.659 -2.350 -7.743 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.390 -1.746 -9.432 1.00 0.00 O ATOM 0 H GLU A 41 -8.150 -3.803 -7.332 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.197 -6.222 -7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.396 -4.798 -8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.562 -4.852 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.272 -2.628 -6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.457 -2.693 -8.203 1.00 0.00 H new ATOM 667 N MET A 42 -10.055 -4.328 -10.460 1.00 0.00 N ATOM 668 CA MET A 42 -10.338 -4.324 -11.900 1.00 0.00 C ATOM 669 C MET A 42 -10.714 -5.716 -12.416 1.00 0.00 C ATOM 670 O MET A 42 -11.892 -6.062 -12.492 1.00 0.00 O ATOM 671 CB MET A 42 -9.130 -3.785 -12.671 1.00 0.00 C ATOM 672 CG MET A 42 -8.914 -2.291 -12.496 1.00 0.00 C ATOM 673 SD MET A 42 -10.063 -1.304 -13.474 1.00 0.00 S ATOM 674 CE MET A 42 -9.773 -1.969 -15.112 1.00 0.00 C ATOM 0 H MET A 42 -10.286 -3.452 -9.990 1.00 0.00 H new ATOM 0 HA MET A 42 -11.196 -3.672 -12.064 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.235 -4.314 -12.343 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.259 -4.003 -13.731 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.025 -2.033 -11.443 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.892 -2.040 -12.780 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.020 -1.215 -15.860 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.724 -2.248 -15.211 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.398 -2.849 -15.263 1.00 0.00 H new ATOM 684 N GLY A 43 -9.702 -6.509 -12.767 1.00 0.00 N ATOM 685 CA GLY A 43 -9.948 -7.848 -13.265 1.00 0.00 C ATOM 686 C GLY A 43 -8.674 -8.643 -13.443 1.00 0.00 C ATOM 687 O GLY A 43 -8.573 -9.483 -14.336 1.00 0.00 O ATOM 0 H GLY A 43 -8.718 -6.245 -12.714 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.607 -8.374 -12.574 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.471 -7.787 -14.220 1.00 0.00 H new ATOM 691 N GLU A 44 -7.701 -8.368 -12.593 1.00 0.00 N ATOM 692 CA GLU A 44 -6.415 -9.055 -12.655 1.00 0.00 C ATOM 693 C GLU A 44 -6.443 -10.350 -11.849 1.00 0.00 C ATOM 694 O GLU A 44 -7.486 -10.748 -11.331 1.00 0.00 O ATOM 695 CB GLU A 44 -5.302 -8.140 -12.142 1.00 0.00 C ATOM 696 CG GLU A 44 -4.600 -7.361 -13.241 1.00 0.00 C ATOM 697 CD GLU A 44 -5.366 -6.119 -13.655 1.00 0.00 C ATOM 698 OE1 GLU A 44 -5.822 -5.377 -12.759 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.509 -5.889 -14.874 1.00 0.00 O ATOM 0 H GLU A 44 -7.773 -7.674 -11.849 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.217 -9.308 -13.697 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.723 -7.438 -11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.566 -8.741 -11.608 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.606 -7.073 -12.899 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.464 -8.006 -14.109 1.00 0.00 H new ATOM 706 N THR A 45 -5.289 -11.006 -11.747 1.00 0.00 N ATOM 707 CA THR A 45 -5.179 -12.254 -11.005 1.00 0.00 C ATOM 708 C THR A 45 -4.620 -11.994 -9.609 1.00 0.00 C ATOM 709 O THR A 45 -3.907 -11.017 -9.394 1.00 0.00 O ATOM 710 CB THR A 45 -4.279 -13.241 -11.758 1.00 0.00 C ATOM 711 OG1 THR A 45 -3.930 -12.731 -13.032 1.00 0.00 O ATOM 712 CG2 THR A 45 -4.918 -14.596 -11.970 1.00 0.00 C ATOM 0 H THR A 45 -4.417 -10.691 -12.171 1.00 0.00 H new ATOM 0 HA THR A 45 -6.174 -12.689 -10.908 1.00 0.00 H new ATOM 0 HB THR A 45 -3.400 -13.366 -11.126 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.192 -13.257 -13.404 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.227 -15.244 -12.509 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.155 -15.042 -11.004 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.833 -14.480 -12.551 1.00 0.00 H new ATOM 720 N PRO A 46 -4.932 -12.867 -8.636 1.00 0.00 N ATOM 721 CA PRO A 46 -4.452 -12.727 -7.260 1.00 0.00 C ATOM 722 C PRO A 46 -2.974 -12.351 -7.191 1.00 0.00 C ATOM 723 O PRO A 46 -2.525 -11.743 -6.219 1.00 0.00 O ATOM 724 CB PRO A 46 -4.686 -14.120 -6.647 1.00 0.00 C ATOM 725 CG PRO A 46 -5.172 -14.988 -7.765 1.00 0.00 C ATOM 726 CD PRO A 46 -5.767 -14.061 -8.782 1.00 0.00 C ATOM 0 HA PRO A 46 -4.971 -11.926 -6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.766 -14.516 -6.217 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.420 -14.074 -5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.353 -15.565 -8.195 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.913 -15.704 -7.409 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.715 -14.474 -9.789 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.817 -13.851 -8.577 1.00 0.00 H new ATOM 734 N GLU A 47 -2.220 -12.718 -8.223 1.00 0.00 N ATOM 735 CA GLU A 47 -0.794 -12.418 -8.269 1.00 0.00 C ATOM 736 C GLU A 47 -0.489 -11.262 -9.221 1.00 0.00 C ATOM 737 O GLU A 47 0.372 -10.430 -8.938 1.00 0.00 O ATOM 738 CB GLU A 47 -0.009 -13.661 -8.694 1.00 0.00 C ATOM 739 CG GLU A 47 0.581 -14.436 -7.528 1.00 0.00 C ATOM 740 CD GLU A 47 1.127 -15.789 -7.941 1.00 0.00 C ATOM 741 OE1 GLU A 47 1.914 -15.839 -8.910 1.00 0.00 O ATOM 742 OE2 GLU A 47 0.768 -16.797 -7.298 1.00 0.00 O ATOM 0 H GLU A 47 -2.572 -13.222 -9.037 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.488 -12.116 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.667 -14.319 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.796 -13.360 -9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.380 -13.849 -7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.185 -14.575 -6.765 1.00 0.00 H new ATOM 749 N GLN A 48 -1.189 -11.217 -10.353 1.00 0.00 N ATOM 750 CA GLN A 48 -0.970 -10.163 -11.340 1.00 0.00 C ATOM 751 C GLN A 48 -1.682 -8.869 -10.955 1.00 0.00 C ATOM 752 O GLN A 48 -1.439 -7.821 -11.553 1.00 0.00 O ATOM 753 CB GLN A 48 -1.444 -10.626 -12.719 1.00 0.00 C ATOM 754 CG GLN A 48 -0.389 -11.394 -13.499 1.00 0.00 C ATOM 755 CD GLN A 48 -0.967 -12.578 -14.249 1.00 0.00 C ATOM 756 OE1 GLN A 48 -2.072 -12.507 -14.787 1.00 0.00 O ATOM 757 NE2 GLN A 48 -0.219 -13.675 -14.289 1.00 0.00 N ATOM 0 H GLN A 48 -1.908 -11.894 -10.608 1.00 0.00 H new ATOM 0 HA GLN A 48 0.100 -9.959 -11.371 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.325 -11.256 -12.598 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.751 -9.756 -13.299 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.096 -10.722 -14.207 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.382 -11.744 -12.813 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.691 -13.689 -13.829 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.555 -14.504 -14.780 1.00 0.00 H new ATOM 766 N ALA A 49 -2.562 -8.940 -9.962 1.00 0.00 N ATOM 767 CA ALA A 49 -3.298 -7.765 -9.517 1.00 0.00 C ATOM 768 C ALA A 49 -2.350 -6.677 -9.030 1.00 0.00 C ATOM 769 O ALA A 49 -2.418 -5.534 -9.482 1.00 0.00 O ATOM 770 CB ALA A 49 -4.283 -8.140 -8.423 1.00 0.00 C ATOM 0 H ALA A 49 -2.782 -9.796 -9.452 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.854 -7.372 -10.368 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.825 -7.251 -8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.989 -8.877 -8.806 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.742 -8.562 -7.576 1.00 0.00 H new ATOM 776 N VAL A 50 -1.467 -7.039 -8.110 1.00 0.00 N ATOM 777 CA VAL A 50 -0.506 -6.089 -7.566 1.00 0.00 C ATOM 778 C VAL A 50 0.650 -5.865 -8.534 1.00 0.00 C ATOM 779 O VAL A 50 1.059 -4.732 -8.774 1.00 0.00 O ATOM 780 CB VAL A 50 0.052 -6.553 -6.200 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.045 -7.189 -5.359 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.218 -7.519 -6.382 1.00 0.00 C ATOM 0 H VAL A 50 -1.396 -7.981 -7.725 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.041 -5.151 -7.420 1.00 0.00 H new ATOM 0 HB VAL A 50 0.423 -5.674 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.631 -7.508 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.839 -6.462 -5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.452 -8.053 -5.885 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.590 -7.828 -5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.882 -8.395 -6.936 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.017 -7.025 -6.935 1.00 0.00 H new ATOM 792 N VAL A 51 1.180 -6.959 -9.077 1.00 0.00 N ATOM 793 CA VAL A 51 2.298 -6.886 -10.008 1.00 0.00 C ATOM 794 C VAL A 51 1.967 -5.988 -11.189 1.00 0.00 C ATOM 795 O VAL A 51 2.820 -5.244 -11.673 1.00 0.00 O ATOM 796 CB VAL A 51 2.695 -8.285 -10.525 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.943 -8.204 -11.392 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.909 -9.244 -9.363 1.00 0.00 C ATOM 0 H VAL A 51 0.851 -7.906 -8.887 1.00 0.00 H new ATOM 0 HA VAL A 51 3.140 -6.463 -9.461 1.00 0.00 H new ATOM 0 HB VAL A 51 1.879 -8.667 -11.138 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.205 -9.201 -11.746 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.751 -7.555 -12.246 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.768 -7.798 -10.806 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.188 -10.225 -9.748 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.705 -8.866 -8.721 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.988 -9.329 -8.787 1.00 0.00 H new ATOM 808 N ARG A 52 0.723 -6.055 -11.647 1.00 0.00 N ATOM 809 CA ARG A 52 0.295 -5.236 -12.767 1.00 0.00 C ATOM 810 C ARG A 52 0.022 -3.808 -12.314 1.00 0.00 C ATOM 811 O ARG A 52 0.474 -2.848 -12.939 1.00 0.00 O ATOM 812 CB ARG A 52 -0.953 -5.826 -13.426 1.00 0.00 C ATOM 813 CG ARG A 52 -0.709 -7.167 -14.101 1.00 0.00 C ATOM 814 CD ARG A 52 -0.707 -7.038 -15.617 1.00 0.00 C ATOM 815 NE ARG A 52 0.085 -5.897 -16.069 1.00 0.00 N ATOM 816 CZ ARG A 52 1.416 -5.866 -16.055 1.00 0.00 C ATOM 817 NH1 ARG A 52 2.106 -6.910 -15.613 1.00 0.00 N ATOM 818 NH2 ARG A 52 2.059 -4.789 -16.485 1.00 0.00 N ATOM 0 H ARG A 52 0.000 -6.663 -11.262 1.00 0.00 H new ATOM 0 HA ARG A 52 1.101 -5.222 -13.501 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.730 -5.945 -12.671 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.331 -5.120 -14.165 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.246 -7.574 -13.769 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.480 -7.874 -13.796 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.310 -7.952 -16.058 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.732 -6.932 -15.973 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.411 -5.076 -16.416 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.617 -7.741 -15.282 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.126 -6.881 -15.605 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.534 -3.984 -16.827 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.079 -4.766 -16.474 1.00 0.00 H new ATOM 832 N GLU A 53 -0.716 -3.676 -11.217 1.00 0.00 N ATOM 833 CA GLU A 53 -1.046 -2.366 -10.673 1.00 0.00 C ATOM 834 C GLU A 53 0.201 -1.674 -10.133 1.00 0.00 C ATOM 835 O GLU A 53 0.233 -0.452 -9.998 1.00 0.00 O ATOM 836 CB GLU A 53 -2.091 -2.498 -9.564 1.00 0.00 C ATOM 837 CG GLU A 53 -2.967 -1.265 -9.406 1.00 0.00 C ATOM 838 CD GLU A 53 -4.192 -1.300 -10.298 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.457 -2.359 -10.906 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.889 -0.267 -10.390 1.00 0.00 O ATOM 0 H GLU A 53 -1.096 -4.461 -10.688 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.458 -1.759 -11.479 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.725 -3.360 -9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.584 -2.697 -8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.282 -1.179 -8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.380 -0.376 -9.636 1.00 0.00 H new ATOM 847 N LEU A 54 1.231 -2.461 -9.823 1.00 0.00 N ATOM 848 CA LEU A 54 2.477 -1.915 -9.300 1.00 0.00 C ATOM 849 C LEU A 54 3.038 -0.866 -10.246 1.00 0.00 C ATOM 850 O LEU A 54 3.455 0.209 -9.820 1.00 0.00 O ATOM 851 CB LEU A 54 3.503 -3.027 -9.093 1.00 0.00 C ATOM 852 CG LEU A 54 4.151 -3.052 -7.711 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.101 -3.265 -6.630 1.00 0.00 C ATOM 854 CD2 LEU A 54 5.220 -4.131 -7.651 1.00 0.00 C ATOM 0 H LEU A 54 1.225 -3.476 -9.926 1.00 0.00 H new ATOM 0 HA LEU A 54 2.266 -1.446 -8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.018 -3.987 -9.268 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.286 -2.924 -9.844 1.00 0.00 H new ATOM 0 HG LEU A 54 4.627 -2.088 -7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.583 -3.280 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.374 -2.454 -6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.593 -4.215 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.674 -4.138 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.768 -5.103 -7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.985 -3.927 -8.400 1.00 0.00 H new ATOM 866 N GLN A 55 3.025 -1.176 -11.536 1.00 0.00 N ATOM 867 CA GLN A 55 3.511 -0.243 -12.540 1.00 0.00 C ATOM 868 C GLN A 55 2.636 1.003 -12.537 1.00 0.00 C ATOM 869 O GLN A 55 3.110 2.117 -12.761 1.00 0.00 O ATOM 870 CB GLN A 55 3.505 -0.896 -13.925 1.00 0.00 C ATOM 871 CG GLN A 55 4.892 -1.072 -14.521 1.00 0.00 C ATOM 872 CD GLN A 55 5.795 -1.928 -13.654 1.00 0.00 C ATOM 873 OE1 GLN A 55 6.926 -1.550 -13.353 1.00 0.00 O ATOM 874 NE2 GLN A 55 5.296 -3.089 -13.247 1.00 0.00 N ATOM 0 H GLN A 55 2.685 -2.062 -11.909 1.00 0.00 H new ATOM 0 HA GLN A 55 4.537 0.038 -12.302 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.022 -1.871 -13.856 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.903 -0.289 -14.601 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.804 -1.527 -15.508 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.350 -0.093 -14.661 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.352 -3.363 -13.521 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.856 -3.707 -12.660 1.00 0.00 H new ATOM 883 N GLU A 56 1.351 0.795 -12.265 1.00 0.00 N ATOM 884 CA GLU A 56 0.387 1.885 -12.208 1.00 0.00 C ATOM 885 C GLU A 56 0.510 2.656 -10.903 1.00 0.00 C ATOM 886 O GLU A 56 0.139 3.825 -10.831 1.00 0.00 O ATOM 887 CB GLU A 56 -1.034 1.338 -12.338 1.00 0.00 C ATOM 888 CG GLU A 56 -1.988 2.280 -13.056 1.00 0.00 C ATOM 889 CD GLU A 56 -3.339 2.376 -12.370 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.390 2.215 -11.130 1.00 0.00 O ATOM 891 OE2 GLU A 56 -4.345 2.614 -13.070 1.00 0.00 O ATOM 0 H GLU A 56 0.953 -0.126 -12.080 1.00 0.00 H new ATOM 0 HA GLU A 56 0.598 2.561 -13.036 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.001 0.390 -12.875 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.425 1.128 -11.343 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.541 3.273 -13.110 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.129 1.937 -14.081 1.00 0.00 H new ATOM 898 N GLU A 57 1.006 1.991 -9.861 1.00 0.00 N ATOM 899 CA GLU A 57 1.144 2.625 -8.557 1.00 0.00 C ATOM 900 C GLU A 57 2.606 2.902 -8.201 1.00 0.00 C ATOM 901 O GLU A 57 2.906 3.358 -7.098 1.00 0.00 O ATOM 902 CB GLU A 57 0.496 1.753 -7.483 1.00 0.00 C ATOM 903 CG GLU A 57 -0.910 1.307 -7.845 1.00 0.00 C ATOM 904 CD GLU A 57 -1.952 2.365 -7.538 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.690 3.220 -6.666 1.00 0.00 O ATOM 906 OE2 GLU A 57 -3.028 2.338 -8.169 1.00 0.00 O ATOM 0 H GLU A 57 1.316 1.020 -9.896 1.00 0.00 H new ATOM 0 HA GLU A 57 0.635 3.588 -8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.117 0.874 -7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.465 2.306 -6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.948 1.062 -8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.151 0.395 -7.298 1.00 0.00 H new ATOM 913 N VAL A 58 3.508 2.644 -9.143 1.00 0.00 N ATOM 914 CA VAL A 58 4.928 2.887 -8.926 1.00 0.00 C ATOM 915 C VAL A 58 5.523 3.592 -10.131 1.00 0.00 C ATOM 916 O VAL A 58 6.280 4.553 -9.996 1.00 0.00 O ATOM 917 CB VAL A 58 5.704 1.577 -8.676 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.145 1.870 -8.293 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.031 0.753 -7.597 1.00 0.00 C ATOM 0 H VAL A 58 3.280 2.267 -10.063 1.00 0.00 H new ATOM 0 HA VAL A 58 5.019 3.513 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 58 5.703 1.002 -9.602 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.674 0.932 -8.121 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.632 2.418 -9.100 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.165 2.470 -7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.594 -0.166 -7.437 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.998 1.325 -6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.016 0.507 -7.907 1.00 0.00 H new ATOM 929 N GLY A 59 5.157 3.110 -11.315 1.00 0.00 N ATOM 930 CA GLY A 59 5.636 3.699 -12.550 1.00 0.00 C ATOM 931 C GLY A 59 7.113 3.479 -12.796 1.00 0.00 C ATOM 932 O GLY A 59 7.531 3.207 -13.921 1.00 0.00 O ATOM 0 H GLY A 59 4.531 2.314 -11.440 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.072 3.282 -13.384 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.435 4.770 -12.533 1.00 0.00 H new ATOM 936 N ILE A 60 7.895 3.603 -11.746 1.00 0.00 N ATOM 937 CA ILE A 60 9.333 3.425 -11.834 1.00 0.00 C ATOM 938 C ILE A 60 9.696 1.949 -11.895 1.00 0.00 C ATOM 939 O ILE A 60 8.823 1.084 -11.957 1.00 0.00 O ATOM 940 CB ILE A 60 10.087 4.068 -10.645 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.202 4.231 -9.410 1.00 0.00 C ATOM 942 CG2 ILE A 60 10.684 5.406 -11.049 1.00 0.00 C ATOM 943 CD1 ILE A 60 9.971 4.101 -8.111 1.00 0.00 C ATOM 0 H ILE A 60 7.557 3.829 -10.810 1.00 0.00 H new ATOM 0 HA ILE A 60 9.641 3.928 -12.751 1.00 0.00 H new ATOM 0 HB ILE A 60 10.892 3.385 -10.375 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.717 5.207 -9.443 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.411 3.481 -9.435 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.210 5.841 -10.199 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.384 5.259 -11.872 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.887 6.079 -11.366 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.289 4.226 -7.270 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.434 3.115 -8.059 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.745 4.868 -8.068 1.00 0.00 H new ATOM 955 N THR A 61 10.995 1.675 -11.884 1.00 0.00 N ATOM 956 CA THR A 61 11.499 0.324 -11.940 1.00 0.00 C ATOM 957 C THR A 61 12.167 -0.046 -10.621 1.00 0.00 C ATOM 958 O THR A 61 13.362 0.185 -10.439 1.00 0.00 O ATOM 959 CB THR A 61 12.510 0.243 -13.065 1.00 0.00 C ATOM 960 OG1 THR A 61 13.198 1.476 -13.206 1.00 0.00 O ATOM 961 CG2 THR A 61 11.891 -0.088 -14.403 1.00 0.00 C ATOM 0 H THR A 61 11.722 2.389 -11.836 1.00 0.00 H new ATOM 0 HA THR A 61 10.678 -0.371 -12.115 1.00 0.00 H new ATOM 0 HB THR A 61 13.189 -0.563 -12.787 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.848 1.406 -13.936 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.670 -0.130 -15.164 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.389 -1.054 -14.343 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.166 0.681 -14.669 1.00 0.00 H new ATOM 969 N PRO A 62 11.400 -0.583 -9.660 1.00 0.00 N ATOM 970 CA PRO A 62 11.902 -0.932 -8.350 1.00 0.00 C ATOM 971 C PRO A 62 12.008 -2.428 -8.107 1.00 0.00 C ATOM 972 O PRO A 62 11.127 -3.188 -8.508 1.00 0.00 O ATOM 973 CB PRO A 62 10.769 -0.376 -7.502 1.00 0.00 C ATOM 974 CG PRO A 62 9.540 -0.762 -8.266 1.00 0.00 C ATOM 975 CD PRO A 62 9.953 -0.845 -9.721 1.00 0.00 C ATOM 0 HA PRO A 62 12.910 -0.560 -8.164 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.770 -0.805 -6.500 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.847 0.705 -7.386 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.150 -1.718 -7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.749 -0.025 -8.128 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.736 -1.824 -10.149 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.433 -0.108 -10.333 1.00 0.00 H new ATOM 983 N GLN A 63 13.042 -2.847 -7.382 1.00 0.00 N ATOM 984 CA GLN A 63 13.160 -4.249 -7.038 1.00 0.00 C ATOM 985 C GLN A 63 12.135 -4.492 -5.947 1.00 0.00 C ATOM 986 O GLN A 63 12.439 -4.474 -4.755 1.00 0.00 O ATOM 987 CB GLN A 63 14.568 -4.586 -6.550 1.00 0.00 C ATOM 988 CG GLN A 63 15.665 -3.984 -7.410 1.00 0.00 C ATOM 989 CD GLN A 63 17.044 -4.158 -6.805 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.190 -4.707 -5.713 1.00 0.00 O ATOM 991 NE2 GLN A 63 18.064 -3.689 -7.513 1.00 0.00 N ATOM 0 H GLN A 63 13.790 -2.248 -7.032 1.00 0.00 H new ATOM 0 HA GLN A 63 12.982 -4.885 -7.905 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.684 -4.232 -5.526 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.687 -5.669 -6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.644 -4.448 -8.396 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.467 -2.922 -7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.896 -3.241 -8.414 1.00 0.00 H new ATOM 0 HE22 GLN A 63 19.016 -3.777 -7.156 1.00 0.00 H new ATOM 1000 N HIS A 64 10.900 -4.645 -6.391 1.00 0.00 N ATOM 1001 CA HIS A 64 9.762 -4.811 -5.508 1.00 0.00 C ATOM 1002 C HIS A 64 9.081 -6.145 -5.756 1.00 0.00 C ATOM 1003 O HIS A 64 8.772 -6.488 -6.897 1.00 0.00 O ATOM 1004 CB HIS A 64 8.809 -3.638 -5.775 1.00 0.00 C ATOM 1005 CG HIS A 64 7.397 -3.780 -5.263 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.612 -4.869 -5.052 1.00 0.00 N flip ATOM 1007 CD2 HIS A 64 6.613 -2.688 -4.952 1.00 0.00 C flip ATOM 1008 CE1 HIS A 64 5.389 -4.413 -4.626 1.00 0.00 C flip ATOM 1009 NE2 HIS A 64 5.415 -3.096 -4.575 1.00 0.00 N flip ATOM 0 H HIS A 64 10.658 -4.657 -7.382 1.00 0.00 H new ATOM 0 HA HIS A 64 10.076 -4.811 -4.464 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.242 -2.741 -5.333 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.765 -3.474 -6.852 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.931 -1.657 -5.008 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.542 -5.034 -4.373 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.641 -2.494 -4.292 1.00 0.00 H new ATOM 1018 N PHE A 65 8.851 -6.899 -4.685 1.00 0.00 N ATOM 1019 CA PHE A 65 8.212 -8.199 -4.805 1.00 0.00 C ATOM 1020 C PHE A 65 8.080 -8.891 -3.452 1.00 0.00 C ATOM 1021 O PHE A 65 8.694 -8.477 -2.470 1.00 0.00 O ATOM 1022 CB PHE A 65 9.035 -9.075 -5.729 1.00 0.00 C ATOM 1023 CG PHE A 65 8.241 -10.143 -6.424 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.093 -9.817 -7.128 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.640 -11.468 -6.376 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.358 -10.793 -7.773 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.908 -12.450 -7.018 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.765 -12.110 -7.718 1.00 0.00 C ATOM 0 H PHE A 65 9.097 -6.632 -3.732 1.00 0.00 H new ATOM 0 HA PHE A 65 7.211 -8.046 -5.207 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.513 -8.446 -6.479 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.832 -9.546 -5.153 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.769 -8.788 -7.173 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.533 -11.738 -5.831 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.466 -10.525 -8.320 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.228 -13.480 -6.973 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.192 -12.875 -8.221 1.00 0.00 H new ATOM 1038 N SER A 66 7.280 -9.960 -3.423 1.00 0.00 N ATOM 1039 CA SER A 66 7.050 -10.743 -2.208 1.00 0.00 C ATOM 1040 C SER A 66 5.907 -10.148 -1.400 1.00 0.00 C ATOM 1041 O SER A 66 5.613 -8.958 -1.511 1.00 0.00 O ATOM 1042 CB SER A 66 8.316 -10.825 -1.348 1.00 0.00 C ATOM 1043 OG SER A 66 8.427 -12.093 -0.725 1.00 0.00 O ATOM 0 H SER A 66 6.775 -10.306 -4.239 1.00 0.00 H new ATOM 0 HA SER A 66 6.781 -11.755 -2.512 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.194 -10.643 -1.968 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.295 -10.044 -0.588 1.00 0.00 H new ATOM 0 HG SER A 66 9.243 -12.121 -0.183 1.00 0.00 H new ATOM 1049 N LEU A 67 5.257 -10.979 -0.593 1.00 0.00 N ATOM 1050 CA LEU A 67 4.148 -10.526 0.223 1.00 0.00 C ATOM 1051 C LEU A 67 4.588 -10.327 1.669 1.00 0.00 C ATOM 1052 O LEU A 67 5.563 -10.923 2.123 1.00 0.00 O ATOM 1053 CB LEU A 67 2.981 -11.525 0.127 1.00 0.00 C ATOM 1054 CG LEU A 67 2.860 -12.551 1.264 1.00 0.00 C ATOM 1055 CD1 LEU A 67 4.188 -13.251 1.517 1.00 0.00 C ATOM 1056 CD2 LEU A 67 2.363 -11.880 2.530 1.00 0.00 C ATOM 0 H LEU A 67 5.482 -11.968 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 67 3.805 -9.562 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.051 -10.959 0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.073 -12.068 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 67 2.136 -13.307 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.071 -13.971 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.504 -13.770 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.941 -12.513 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.282 -12.620 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.064 -11.101 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.384 -11.436 2.347 1.00 0.00 H new ATOM 1068 N PHE A 68 3.855 -9.488 2.385 1.00 0.00 N ATOM 1069 CA PHE A 68 4.155 -9.210 3.781 1.00 0.00 C ATOM 1070 C PHE A 68 2.996 -9.669 4.662 1.00 0.00 C ATOM 1071 O PHE A 68 3.197 -10.267 5.719 1.00 0.00 O ATOM 1072 CB PHE A 68 4.440 -7.709 3.961 1.00 0.00 C ATOM 1073 CG PHE A 68 3.734 -7.062 5.124 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.371 -6.819 5.077 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.437 -6.695 6.258 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.722 -6.224 6.139 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.794 -6.096 7.323 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.434 -5.860 7.265 1.00 0.00 C ATOM 0 H PHE A 68 3.045 -8.986 2.020 1.00 0.00 H new ATOM 0 HA PHE A 68 5.045 -9.762 4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.514 -7.571 4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.155 -7.188 3.047 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.809 -7.099 4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.500 -6.879 6.311 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.658 -6.043 6.090 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.354 -5.812 8.201 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.929 -5.392 8.097 1.00 0.00 H new ATOM 1088 N GLU A 69 1.782 -9.382 4.208 1.00 0.00 N ATOM 1089 CA GLU A 69 0.574 -9.754 4.931 1.00 0.00 C ATOM 1090 C GLU A 69 -0.657 -9.477 4.076 1.00 0.00 C ATOM 1091 O GLU A 69 -0.592 -8.718 3.110 1.00 0.00 O ATOM 1092 CB GLU A 69 0.483 -8.983 6.249 1.00 0.00 C ATOM 1093 CG GLU A 69 -0.127 -9.789 7.385 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.857 -8.921 8.389 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.201 -8.071 9.029 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -2.086 -9.090 8.538 1.00 0.00 O ATOM 0 H GLU A 69 1.608 -8.887 3.333 1.00 0.00 H new ATOM 0 HA GLU A 69 0.617 -10.820 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.482 -8.659 6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.111 -8.083 6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.820 -10.523 6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.660 -10.344 7.895 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.778 -10.088 4.434 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.015 -9.890 3.693 1.00 0.00 C ATOM 1105 C LYS A 70 -4.213 -9.871 4.638 1.00 0.00 C ATOM 1106 O LYS A 70 -4.348 -10.739 5.501 1.00 0.00 O ATOM 1107 CB LYS A 70 -3.192 -10.990 2.646 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.957 -12.391 3.189 1.00 0.00 C ATOM 1109 CD LYS A 70 -2.543 -13.353 2.088 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.753 -13.961 1.395 1.00 0.00 C ATOM 1111 NZ LYS A 70 -4.422 -14.987 2.242 1.00 0.00 N ATOM 0 H LYS A 70 -1.856 -10.722 5.229 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.957 -8.927 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.201 -10.932 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.503 -10.809 1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.183 -12.360 3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.866 -12.754 3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.929 -12.828 1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.927 -14.147 2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.465 -13.173 1.150 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.442 -14.414 0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.071 -15.551 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.704 -15.611 2.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.959 -14.516 2.998 1.00 0.00 H new ATOM 1125 N LEU A 71 -5.079 -8.876 4.473 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.259 -8.743 5.313 1.00 0.00 C ATOM 1127 C LEU A 71 -7.524 -8.698 4.459 1.00 0.00 C ATOM 1128 O LEU A 71 -7.638 -7.884 3.545 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.146 -7.480 6.165 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.379 -7.148 7.000 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.258 -7.753 8.389 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.574 -5.643 7.090 1.00 0.00 C ATOM 0 H LEU A 71 -4.983 -8.150 3.763 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.323 -9.610 5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.292 -7.587 6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.933 -6.636 5.509 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.252 -7.578 6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.146 -7.507 8.972 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.166 -8.836 8.307 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.375 -7.351 8.885 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.458 -5.426 7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.699 -5.190 7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.705 -5.233 6.089 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.471 -9.584 4.760 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.720 -9.650 4.015 1.00 0.00 C ATOM 1146 C GLU A 72 -10.916 -9.355 4.922 1.00 0.00 C ATOM 1147 O GLU A 72 -11.238 -10.136 5.816 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.867 -11.032 3.368 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.287 -11.368 2.947 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.348 -12.526 1.970 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.782 -13.595 2.279 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.964 -12.363 0.895 1.00 0.00 O ATOM 0 H GLU A 72 -8.394 -10.265 5.515 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.697 -8.891 3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.218 -11.084 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.518 -11.790 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.876 -11.612 3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.744 -10.489 2.492 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.569 -8.225 4.675 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.734 -7.820 5.454 1.00 0.00 C ATOM 1161 C TYR A 73 -13.784 -7.185 4.549 1.00 0.00 C ATOM 1162 O TYR A 73 -13.453 -6.633 3.502 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.329 -6.841 6.560 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.519 -5.663 6.067 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.270 -5.845 5.485 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.003 -4.367 6.186 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -9.530 -4.770 5.035 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -11.266 -3.286 5.738 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.032 -3.494 5.164 1.00 0.00 C ATOM 1170 OH TYR A 73 -9.296 -2.421 4.716 1.00 0.00 O ATOM 0 H TYR A 73 -11.310 -7.570 3.937 1.00 0.00 H new ATOM 0 HA TYR A 73 -13.162 -8.709 5.917 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.229 -6.471 7.052 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.752 -7.377 7.313 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.872 -6.844 5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.971 -4.200 6.636 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.562 -4.929 4.584 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.656 -2.284 5.838 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.792 -1.592 4.881 1.00 0.00 H new ATOM 1180 N GLU A 74 -15.048 -7.268 4.950 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.132 -6.700 4.153 1.00 0.00 C ATOM 1182 C GLU A 74 -16.859 -5.592 4.906 1.00 0.00 C ATOM 1183 O GLU A 74 -17.106 -5.692 6.108 1.00 0.00 O ATOM 1184 CB GLU A 74 -17.130 -7.784 3.736 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.402 -8.817 4.815 1.00 0.00 C ATOM 1186 CD GLU A 74 -18.073 -10.064 4.272 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -18.914 -9.936 3.359 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -17.756 -11.170 4.761 1.00 0.00 O ATOM 0 H GLU A 74 -15.347 -7.719 5.815 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.682 -6.269 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.070 -7.310 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.751 -8.291 2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.462 -9.093 5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.034 -8.375 5.585 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.203 -4.540 4.176 1.00 0.00 N ATOM 1196 CA PHE A 75 -17.908 -3.399 4.732 1.00 0.00 C ATOM 1197 C PHE A 75 -19.421 -3.603 4.622 1.00 0.00 C ATOM 1198 O PHE A 75 -19.881 -4.440 3.847 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.497 -2.127 3.987 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.510 -1.272 4.733 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -15.189 -1.673 4.864 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -16.900 -0.068 5.299 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -14.279 -0.888 5.547 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -15.994 0.719 5.982 1.00 0.00 C ATOM 1205 CZ PHE A 75 -14.681 0.309 6.106 1.00 0.00 C ATOM 0 H PHE A 75 -17.000 -4.456 3.180 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.646 -3.301 5.785 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.067 -2.405 3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.389 -1.536 3.779 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -14.868 -2.608 4.428 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -17.925 0.258 5.205 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -13.253 -1.211 5.643 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -16.312 1.654 6.419 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.970 0.923 6.639 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.212 -2.837 5.394 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.674 -2.932 5.376 1.00 0.00 C ATOM 1217 C PRO A 76 -22.241 -2.765 3.972 1.00 0.00 C ATOM 1218 O PRO A 76 -22.660 -1.675 3.584 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.135 -1.780 6.283 1.00 0.00 C ATOM 1220 CG PRO A 76 -20.936 -0.910 6.459 1.00 0.00 C ATOM 1221 CD PRO A 76 -19.746 -1.817 6.334 1.00 0.00 C ATOM 0 HA PRO A 76 -22.019 -3.909 5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -22.958 -1.228 5.829 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -22.493 -2.154 7.242 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -20.909 -0.125 5.704 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -20.951 -0.417 7.431 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -18.872 -1.287 5.955 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -19.465 -2.250 7.294 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.238 -3.865 3.221 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.740 -3.898 1.841 1.00 0.00 C ATOM 1231 C ASP A 77 -21.631 -3.588 0.835 1.00 0.00 C ATOM 1232 O ASP A 77 -21.898 -3.357 -0.343 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.910 -2.926 1.642 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.934 -3.013 2.757 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.249 -4.144 3.187 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.422 -1.952 3.201 1.00 0.00 O ATOM 0 H ASP A 77 -21.887 -4.764 3.550 1.00 0.00 H new ATOM 0 HA ASP A 77 -23.099 -4.911 1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -23.526 -1.907 1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -24.396 -3.138 0.690 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.385 -3.596 1.304 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.240 -3.326 0.442 1.00 0.00 C ATOM 1243 C ARG A 78 -18.106 -4.300 0.744 1.00 0.00 C ATOM 1244 O ARG A 78 -17.352 -4.110 1.695 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.760 -1.886 0.628 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.830 -1.408 -0.474 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.567 0.086 -0.373 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.463 0.388 0.536 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.785 1.534 0.523 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.098 2.491 -0.342 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.791 1.725 1.381 1.00 0.00 N ATOM 0 H ARG A 78 -20.144 -3.787 2.277 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.550 -3.460 -0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.626 -1.226 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.247 -1.804 1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.886 -1.949 -0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.268 -1.636 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.340 0.482 -1.363 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.469 0.590 -0.027 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.196 -0.320 1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.862 2.351 -1.003 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.574 3.366 -0.346 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.547 0.994 2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.271 2.602 1.372 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.989 -5.345 -0.067 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.948 -6.346 0.128 1.00 0.00 C ATOM 1267 C HIS A 79 -15.609 -5.845 -0.394 1.00 0.00 C ATOM 1268 O HIS A 79 -15.449 -5.614 -1.593 1.00 0.00 O ATOM 1269 CB HIS A 79 -17.327 -7.651 -0.578 1.00 0.00 C ATOM 1270 CG HIS A 79 -16.428 -8.799 -0.236 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -15.078 -8.806 -0.517 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -16.692 -9.982 0.367 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -14.550 -9.945 -0.103 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -15.508 -10.675 0.438 1.00 0.00 N ATOM 0 H HIS A 79 -18.601 -5.521 -0.864 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.854 -6.533 1.198 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -18.352 -7.912 -0.316 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -17.305 -7.491 -1.656 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -17.654 -10.318 0.725 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.512 -10.230 -0.192 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -15.388 -11.603 0.843 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.646 -5.677 0.508 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.328 -5.200 0.118 1.00 0.00 C ATOM 1285 C ILE A 80 -12.241 -6.219 0.442 1.00 0.00 C ATOM 1286 O ILE A 80 -12.391 -7.044 1.343 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.981 -3.847 0.780 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -12.588 -4.044 2.245 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -14.150 -2.880 0.660 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -12.312 -2.749 2.979 1.00 0.00 C ATOM 0 H ILE A 80 -14.754 -5.863 1.505 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.365 -5.056 -0.962 1.00 0.00 H new ATOM 0 HB ILE A 80 -12.126 -3.419 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -13.387 -4.579 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.700 -4.675 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.888 -1.933 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.376 -2.711 -0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -15.024 -3.303 1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.040 -2.967 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.492 -2.222 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.205 -2.125 2.964 1.00 0.00 H new ATOM 1302 N THR A 81 -11.147 -6.153 -0.305 1.00 0.00 N ATOM 1303 CA THR A 81 -10.025 -7.061 -0.112 1.00 0.00 C ATOM 1304 C THR A 81 -8.726 -6.273 0.018 1.00 0.00 C ATOM 1305 O THR A 81 -8.334 -5.553 -0.898 1.00 0.00 O ATOM 1306 CB THR A 81 -9.936 -8.034 -1.289 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.952 -7.765 -2.237 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.068 -9.483 -0.882 1.00 0.00 C ATOM 0 H THR A 81 -11.013 -5.475 -1.055 1.00 0.00 H new ATOM 0 HA THR A 81 -10.182 -7.628 0.806 1.00 0.00 H new ATOM 0 HB THR A 81 -8.944 -7.881 -1.713 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.521 -8.556 -2.340 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.996 -10.117 -1.766 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.270 -9.739 -0.185 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.034 -9.639 -0.401 1.00 0.00 H new ATOM 1316 N LEU A 82 -8.066 -6.403 1.164 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.821 -5.687 1.406 1.00 0.00 C ATOM 1318 C LEU A 82 -5.615 -6.619 1.338 1.00 0.00 C ATOM 1319 O LEU A 82 -5.455 -7.507 2.175 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.871 -5.007 2.773 1.00 0.00 C ATOM 1321 CG LEU A 82 -5.709 -4.063 3.071 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -6.040 -2.654 2.608 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -5.382 -4.078 4.558 1.00 0.00 C ATOM 0 H LEU A 82 -8.372 -6.995 1.936 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.710 -4.936 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.803 -4.446 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.899 -5.777 3.544 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.831 -4.406 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.202 -1.993 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.227 -2.658 1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.929 -2.299 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.551 -3.400 4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.255 -3.757 5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.105 -5.088 4.859 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.760 -6.399 0.341 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.557 -7.208 0.171 1.00 0.00 C ATOM 1337 C TRP A 83 -2.314 -6.363 0.442 1.00 0.00 C ATOM 1338 O TRP A 83 -2.102 -5.342 -0.212 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.463 -7.777 -1.252 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.730 -8.388 -1.789 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.921 -8.554 -1.142 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.916 -8.920 -3.106 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.831 -9.159 -1.974 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -6.240 -9.391 -3.185 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -4.092 -9.043 -4.228 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -6.756 -9.974 -4.339 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -4.606 -9.622 -5.373 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -5.928 -10.081 -5.421 1.00 0.00 C ATOM 0 H TRP A 83 -4.879 -5.668 -0.360 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.614 -8.034 0.880 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.152 -6.978 -1.925 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.678 -8.533 -1.271 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.119 -8.253 -0.124 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.792 -9.397 -1.728 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -3.071 -8.692 -4.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -7.775 -10.329 -4.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -3.977 -9.722 -6.245 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -6.301 -10.528 -6.331 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.485 -6.788 1.392 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.263 -6.051 1.711 1.00 0.00 C ATOM 1361 C PHE A 84 0.966 -6.819 1.224 1.00 0.00 C ATOM 1362 O PHE A 84 1.306 -7.873 1.761 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.164 -5.776 3.220 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.938 -4.563 3.680 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -1.970 -4.044 2.910 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.635 -3.942 4.886 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.681 -2.937 3.332 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.345 -2.836 5.310 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.369 -2.334 4.532 1.00 0.00 C ATOM 0 H PHE A 84 -1.633 -7.629 1.949 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.301 -5.092 1.195 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.525 -6.650 3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.885 -5.646 3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.220 -4.511 1.969 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.165 -4.329 5.499 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.481 -2.544 2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.099 -2.364 6.250 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.925 -1.470 4.863 1.00 0.00 H new ATOM 1379 N TRP A 85 1.614 -6.291 0.186 1.00 0.00 N ATOM 1380 CA TRP A 85 2.792 -6.932 -0.398 1.00 0.00 C ATOM 1381 C TRP A 85 4.091 -6.290 0.084 1.00 0.00 C ATOM 1382 O TRP A 85 4.138 -5.097 0.385 1.00 0.00 O ATOM 1383 CB TRP A 85 2.714 -6.887 -1.922 1.00 0.00 C ATOM 1384 CG TRP A 85 1.629 -7.759 -2.472 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.284 -7.572 -2.335 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.793 -8.961 -3.234 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.399 -8.582 -2.967 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.505 -9.446 -3.528 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.904 -9.672 -3.699 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.298 -10.609 -4.264 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.697 -10.826 -4.429 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.402 -11.285 -4.707 1.00 0.00 C ATOM 0 H TRP A 85 1.342 -5.419 -0.269 1.00 0.00 H new ATOM 0 HA TRP A 85 2.799 -7.970 -0.067 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.546 -5.859 -2.243 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.671 -7.198 -2.340 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.176 -6.750 -1.807 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.414 -8.674 -3.012 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.905 -9.325 -3.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.699 -10.965 -4.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.547 -11.384 -4.792 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.273 -12.190 -5.282 1.00 0.00 H new ATOM 1403 N LEU A 86 5.143 -7.103 0.165 1.00 0.00 N ATOM 1404 CA LEU A 86 6.450 -6.639 0.621 1.00 0.00 C ATOM 1405 C LEU A 86 7.331 -6.183 -0.543 1.00 0.00 C ATOM 1406 O LEU A 86 7.369 -6.812 -1.596 1.00 0.00 O ATOM 1407 CB LEU A 86 7.156 -7.746 1.405 1.00 0.00 C ATOM 1408 CG LEU A 86 8.567 -7.401 1.888 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.516 -6.325 2.961 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.268 -8.646 2.412 1.00 0.00 C ATOM 0 H LEU A 86 5.114 -8.092 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 86 6.285 -5.779 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.545 -8.003 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.211 -8.636 0.778 1.00 0.00 H new ATOM 0 HG LEU A 86 9.136 -7.015 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.528 -6.093 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.053 -5.427 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.931 -6.683 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.270 -8.384 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.700 -9.060 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.337 -9.387 1.616 1.00 0.00 H new ATOM 1422 N VAL A 87 8.032 -5.076 -0.327 1.00 0.00 N ATOM 1423 CA VAL A 87 8.933 -4.494 -1.321 1.00 0.00 C ATOM 1424 C VAL A 87 10.321 -4.352 -0.750 1.00 0.00 C ATOM 1425 O VAL A 87 10.472 -4.118 0.450 1.00 0.00 O ATOM 1426 CB VAL A 87 8.469 -3.117 -1.767 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.301 -2.614 -2.935 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.000 -3.171 -2.125 1.00 0.00 C ATOM 0 H VAL A 87 7.993 -4.552 0.547 1.00 0.00 H new ATOM 0 HA VAL A 87 8.934 -5.168 -2.178 1.00 0.00 H new ATOM 0 HB VAL A 87 8.605 -2.413 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.948 -1.627 -3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.347 -2.550 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.205 -3.304 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.667 -2.184 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.849 -3.885 -2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.424 -3.483 -1.254 1.00 0.00 H new ATOM 1438 N GLU A 88 11.340 -4.518 -1.579 1.00 0.00 N ATOM 1439 CA GLU A 88 12.695 -4.418 -1.068 1.00 0.00 C ATOM 1440 C GLU A 88 13.479 -3.207 -1.595 1.00 0.00 C ATOM 1441 O GLU A 88 14.409 -2.751 -0.928 1.00 0.00 O ATOM 1442 CB GLU A 88 13.466 -5.708 -1.359 1.00 0.00 C ATOM 1443 CG GLU A 88 14.916 -5.670 -0.907 1.00 0.00 C ATOM 1444 CD GLU A 88 15.649 -6.966 -1.189 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.684 -7.385 -2.365 1.00 0.00 O ATOM 1446 OE2 GLU A 88 16.187 -7.564 -0.234 1.00 0.00 O ATOM 0 H GLU A 88 11.260 -4.716 -2.576 1.00 0.00 H new ATOM 0 HA GLU A 88 12.597 -4.268 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.963 -6.540 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.434 -5.906 -2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.428 -4.850 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.954 -5.461 0.162 1.00 0.00 H new ATOM 1453 N ARG A 89 13.142 -2.691 -2.774 1.00 0.00 N ATOM 1454 CA ARG A 89 13.883 -1.551 -3.314 1.00 0.00 C ATOM 1455 C ARG A 89 13.107 -0.849 -4.422 1.00 0.00 C ATOM 1456 O ARG A 89 12.216 -1.435 -5.035 1.00 0.00 O ATOM 1457 CB ARG A 89 15.258 -2.030 -3.817 1.00 0.00 C ATOM 1458 CG ARG A 89 15.889 -1.169 -4.908 1.00 0.00 C ATOM 1459 CD ARG A 89 16.546 0.078 -4.336 1.00 0.00 C ATOM 1460 NE ARG A 89 17.962 0.163 -4.690 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.937 -0.438 -4.011 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.658 -1.171 -2.940 1.00 0.00 N ATOM 1463 NH2 ARG A 89 20.196 -0.305 -4.405 1.00 0.00 N ATOM 0 H ARG A 89 12.381 -3.032 -3.362 1.00 0.00 H new ATOM 0 HA ARG A 89 14.026 -0.819 -2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.942 -2.072 -2.969 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.154 -3.047 -4.194 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.632 -1.755 -5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.125 -0.879 -5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.027 0.963 -4.704 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.443 0.077 -3.251 1.00 0.00 H new ATOM 0 HE ARG A 89 18.219 0.717 -5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.691 -1.277 -2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.410 -1.628 -2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.416 0.257 -5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.944 -0.765 -3.886 1.00 0.00 H new ATOM 1477 N TRP A 90 13.470 0.405 -4.688 1.00 0.00 N ATOM 1478 CA TRP A 90 12.822 1.178 -5.738 1.00 0.00 C ATOM 1479 C TRP A 90 13.763 2.240 -6.305 1.00 0.00 C ATOM 1480 O TRP A 90 14.292 3.072 -5.568 1.00 0.00 O ATOM 1481 CB TRP A 90 11.516 1.799 -5.221 1.00 0.00 C ATOM 1482 CG TRP A 90 11.660 3.155 -4.601 1.00 0.00 C ATOM 1483 CD1 TRP A 90 11.923 4.330 -5.245 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.525 3.478 -3.213 1.00 0.00 C ATOM 1485 NE1 TRP A 90 11.963 5.363 -4.343 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.720 4.866 -3.089 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.260 2.728 -2.064 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.654 5.519 -1.863 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.195 3.378 -0.846 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.390 4.762 -0.755 1.00 0.00 C ATOM 0 H TRP A 90 14.208 0.903 -4.190 1.00 0.00 H new ATOM 0 HA TRP A 90 12.572 0.502 -6.555 1.00 0.00 H new ATOM 0 HB2 TRP A 90 10.812 1.868 -6.050 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.077 1.125 -4.485 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.077 4.431 -6.309 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.144 6.341 -4.569 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.109 1.660 -2.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.806 6.586 -1.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.991 2.810 0.050 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.331 5.242 0.211 1.00 0.00 H new ATOM 1501 N GLU A 91 13.976 2.196 -7.622 1.00 0.00 N ATOM 1502 CA GLU A 91 14.860 3.149 -8.285 1.00 0.00 C ATOM 1503 C GLU A 91 14.215 4.528 -8.371 1.00 0.00 C ATOM 1504 O GLU A 91 13.001 4.649 -8.529 1.00 0.00 O ATOM 1505 CB GLU A 91 15.218 2.655 -9.687 1.00 0.00 C ATOM 1506 CG GLU A 91 16.379 1.673 -9.709 1.00 0.00 C ATOM 1507 CD GLU A 91 17.283 1.865 -10.910 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.763 2.203 -11.995 1.00 0.00 O ATOM 1509 OE2 GLU A 91 18.509 1.679 -10.767 1.00 0.00 O ATOM 0 H GLU A 91 13.549 1.512 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 91 15.770 3.231 -7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.343 2.180 -10.130 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.466 3.512 -10.313 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.964 1.788 -8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.989 0.655 -9.712 1.00 0.00 H new ATOM 1516 N GLY A 92 15.040 5.568 -8.267 1.00 0.00 N ATOM 1517 CA GLY A 92 14.536 6.928 -8.337 1.00 0.00 C ATOM 1518 C GLY A 92 13.437 7.195 -7.328 1.00 0.00 C ATOM 1519 O GLY A 92 13.592 6.914 -6.140 1.00 0.00 O ATOM 0 H GLY A 92 16.049 5.492 -8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.357 7.625 -8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.157 7.120 -9.341 1.00 0.00 H new ATOM 1523 N GLU A 93 12.322 7.741 -7.803 1.00 0.00 N ATOM 1524 CA GLU A 93 11.190 8.045 -6.936 1.00 0.00 C ATOM 1525 C GLU A 93 9.932 7.325 -7.417 1.00 0.00 C ATOM 1526 O GLU A 93 9.701 7.207 -8.619 1.00 0.00 O ATOM 1527 CB GLU A 93 10.943 9.555 -6.896 1.00 0.00 C ATOM 1528 CG GLU A 93 9.815 9.964 -5.964 1.00 0.00 C ATOM 1529 CD GLU A 93 9.764 11.461 -5.731 1.00 0.00 C ATOM 1530 OE1 GLU A 93 10.825 12.112 -5.826 1.00 0.00 O ATOM 1531 OE2 GLU A 93 8.663 11.981 -5.453 1.00 0.00 O ATOM 0 H GLU A 93 12.179 7.982 -8.784 1.00 0.00 H new ATOM 0 HA GLU A 93 11.427 7.696 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.860 10.056 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.715 9.904 -7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.865 9.633 -6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.936 9.455 -5.008 1.00 0.00 H new ATOM 1538 N PRO A 94 9.093 6.837 -6.484 1.00 0.00 N ATOM 1539 CA PRO A 94 7.856 6.136 -6.820 1.00 0.00 C ATOM 1540 C PRO A 94 6.772 7.105 -7.257 1.00 0.00 C ATOM 1541 O PRO A 94 6.492 8.085 -6.566 1.00 0.00 O ATOM 1542 CB PRO A 94 7.457 5.435 -5.508 1.00 0.00 C ATOM 1543 CG PRO A 94 8.586 5.684 -4.557 1.00 0.00 C ATOM 1544 CD PRO A 94 9.260 6.935 -5.034 1.00 0.00 C ATOM 0 HA PRO A 94 7.988 5.443 -7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.521 5.836 -5.119 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.305 4.367 -5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.218 5.803 -3.538 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.282 4.845 -4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.790 7.831 -4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.311 6.968 -4.746 1.00 0.00 H new ATOM 1552 N TRP A 95 6.164 6.837 -8.404 1.00 0.00 N ATOM 1553 CA TRP A 95 5.117 7.709 -8.907 1.00 0.00 C ATOM 1554 C TRP A 95 3.885 6.927 -9.331 1.00 0.00 C ATOM 1555 O TRP A 95 2.788 7.154 -8.823 1.00 0.00 O ATOM 1556 CB TRP A 95 5.624 8.549 -10.083 1.00 0.00 C ATOM 1557 CG TRP A 95 6.331 7.770 -11.163 1.00 0.00 C ATOM 1558 CD1 TRP A 95 7.667 7.507 -11.237 1.00 0.00 C ATOM 1559 CD2 TRP A 95 5.746 7.176 -12.333 1.00 0.00 C ATOM 1560 NE1 TRP A 95 7.954 6.806 -12.387 1.00 0.00 N ATOM 1561 CE2 TRP A 95 6.792 6.593 -13.076 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.441 7.082 -12.825 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.572 5.935 -14.284 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.224 6.425 -14.023 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.286 5.863 -14.742 1.00 0.00 C ATOM 0 H TRP A 95 6.375 6.033 -8.996 1.00 0.00 H new ATOM 0 HA TRP A 95 4.835 8.371 -8.088 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.778 9.072 -10.528 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.304 9.310 -9.700 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.396 7.806 -10.499 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.881 6.496 -12.677 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.616 7.515 -12.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.389 5.497 -14.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.219 6.344 -14.410 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.085 5.362 -15.678 1.00 0.00 H new ATOM 1576 N GLY A 96 4.078 6.013 -10.270 1.00 0.00 N ATOM 1577 CA GLY A 96 2.973 5.210 -10.768 1.00 0.00 C ATOM 1578 C GLY A 96 1.729 6.031 -11.057 1.00 0.00 C ATOM 1579 O GLY A 96 1.588 6.600 -12.140 1.00 0.00 O ATOM 0 H GLY A 96 4.981 5.810 -10.699 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.284 4.698 -11.679 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.732 4.439 -10.036 1.00 0.00 H new ATOM 1583 N LYS A 97 0.826 6.088 -10.083 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.417 6.839 -10.230 1.00 0.00 C ATOM 1585 C LYS A 97 -1.277 6.725 -8.973 1.00 0.00 C ATOM 1586 O LYS A 97 -2.506 6.725 -9.049 1.00 0.00 O ATOM 1587 CB LYS A 97 -1.202 6.339 -11.445 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.818 7.455 -12.274 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.913 8.177 -11.507 1.00 0.00 C ATOM 1590 CE LYS A 97 -4.162 7.319 -11.379 1.00 0.00 C ATOM 1591 NZ LYS A 97 -5.291 8.072 -10.766 1.00 0.00 N ATOM 0 H LYS A 97 0.932 5.622 -9.182 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.160 7.888 -10.379 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.538 5.751 -12.079 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.993 5.671 -11.106 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.044 8.166 -12.562 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.229 7.042 -13.195 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.549 8.442 -10.514 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.161 9.109 -12.015 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.458 6.959 -12.364 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.939 6.441 -10.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.124 7.453 -10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.018 8.394 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.521 8.896 -11.358 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.625 6.635 -7.817 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.336 6.527 -6.545 1.00 0.00 C ATOM 1607 C GLU A 98 -2.085 7.825 -6.234 1.00 0.00 C ATOM 1608 O GLU A 98 -3.073 7.821 -5.498 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.363 6.181 -5.408 1.00 0.00 C ATOM 1610 CG GLU A 98 1.053 6.700 -5.616 1.00 0.00 C ATOM 1611 CD GLU A 98 1.095 8.162 -6.013 1.00 0.00 C ATOM 1612 OE1 GLU A 98 1.082 9.023 -5.110 1.00 0.00 O ATOM 1613 OE2 GLU A 98 1.140 8.445 -7.229 1.00 0.00 O ATOM 0 H GLU A 98 0.392 6.635 -7.734 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.065 5.721 -6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.753 6.588 -4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.327 5.098 -5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.623 6.562 -4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.542 6.105 -6.387 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.621 8.929 -6.818 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.267 10.215 -6.614 1.00 0.00 C ATOM 1622 C GLY A 99 -2.113 10.755 -5.204 1.00 0.00 C ATOM 1623 O GLY A 99 -2.897 11.600 -4.773 1.00 0.00 O ATOM 0 H GLY A 99 -0.806 8.955 -7.431 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.852 10.936 -7.318 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.328 10.120 -6.844 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.106 10.276 -4.483 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.868 10.732 -3.117 1.00 0.00 C ATOM 1629 C GLN A 100 0.620 10.895 -2.838 1.00 0.00 C ATOM 1630 O GLN A 100 1.299 9.947 -2.445 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.490 9.757 -2.116 1.00 0.00 C ATOM 1632 CG GLN A 100 -3.001 9.876 -2.009 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.687 8.526 -1.921 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.033 7.492 -1.790 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -5.013 8.531 -1.991 1.00 0.00 N ATOM 0 H GLN A 100 -0.444 9.576 -4.818 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.340 11.708 -3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.234 8.738 -2.407 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.050 9.928 -1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.254 10.466 -1.128 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.382 10.417 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.515 9.412 -2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.530 7.653 -1.936 1.00 0.00 H new ATOM 1644 N PRO A 101 1.146 12.115 -3.032 1.00 0.00 N ATOM 1645 CA PRO A 101 2.558 12.421 -2.794 1.00 0.00 C ATOM 1646 C PRO A 101 3.079 11.812 -1.493 1.00 0.00 C ATOM 1647 O PRO A 101 2.428 11.899 -0.453 1.00 0.00 O ATOM 1648 CB PRO A 101 2.545 13.942 -2.700 1.00 0.00 C ATOM 1649 CG PRO A 101 1.466 14.354 -3.634 1.00 0.00 C ATOM 1650 CD PRO A 101 0.399 13.304 -3.499 1.00 0.00 C ATOM 0 HA PRO A 101 3.210 12.018 -3.569 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.341 14.277 -1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.506 14.367 -2.989 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.081 15.341 -3.378 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.834 14.411 -4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.370 13.601 -2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -0.103 13.116 -4.448 1.00 0.00 H new ATOM 1658 N GLY A 102 4.254 11.193 -1.560 1.00 0.00 N ATOM 1659 CA GLY A 102 4.835 10.577 -0.379 1.00 0.00 C ATOM 1660 C GLY A 102 6.307 10.906 -0.207 1.00 0.00 C ATOM 1661 O GLY A 102 6.905 11.578 -1.046 1.00 0.00 O ATOM 0 H GLY A 102 4.813 11.107 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.288 10.908 0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.714 9.496 -0.442 1.00 0.00 H new ATOM 1665 N GLU A 103 6.890 10.423 0.888 1.00 0.00 N ATOM 1666 CA GLU A 103 8.301 10.659 1.179 1.00 0.00 C ATOM 1667 C GLU A 103 8.930 9.421 1.811 1.00 0.00 C ATOM 1668 O GLU A 103 8.228 8.587 2.384 1.00 0.00 O ATOM 1669 CB GLU A 103 8.458 11.861 2.113 1.00 0.00 C ATOM 1670 CG GLU A 103 7.817 11.660 3.477 1.00 0.00 C ATOM 1671 CD GLU A 103 6.350 12.041 3.493 1.00 0.00 C ATOM 1672 OE1 GLU A 103 5.982 13.015 2.805 1.00 0.00 O ATOM 1673 OE2 GLU A 103 5.569 11.363 4.194 1.00 0.00 O ATOM 0 H GLU A 103 6.405 9.864 1.590 1.00 0.00 H new ATOM 0 HA GLU A 103 8.814 10.872 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.519 12.070 2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.017 12.738 1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.921 10.616 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.351 12.256 4.217 1.00 0.00 H new ATOM 1680 N TRP A 104 10.251 9.299 1.706 1.00 0.00 N ATOM 1681 CA TRP A 104 10.947 8.148 2.277 1.00 0.00 C ATOM 1682 C TRP A 104 10.913 8.214 3.801 1.00 0.00 C ATOM 1683 O TRP A 104 11.609 9.025 4.413 1.00 0.00 O ATOM 1684 CB TRP A 104 12.405 8.081 1.789 1.00 0.00 C ATOM 1685 CG TRP A 104 12.629 8.701 0.440 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.758 8.719 -0.611 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.804 9.391 0.000 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.319 9.379 -1.677 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.575 9.801 -1.327 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.028 9.704 0.599 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.524 10.507 -2.063 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 15.968 10.404 -0.132 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.712 10.799 -1.451 1.00 0.00 C ATOM 0 H TRP A 104 10.855 9.974 1.237 1.00 0.00 H new ATOM 0 HA TRP A 104 10.433 7.246 1.944 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.044 8.581 2.517 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.717 7.037 1.754 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.772 8.279 -0.605 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.873 9.530 -2.582 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.235 9.404 1.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.329 10.813 -3.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.917 10.651 0.321 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.468 11.345 -1.996 1.00 0.00 H new ATOM 1704 N MET A 105 10.098 7.356 4.407 1.00 0.00 N ATOM 1705 CA MET A 105 9.970 7.314 5.861 1.00 0.00 C ATOM 1706 C MET A 105 10.361 5.947 6.406 1.00 0.00 C ATOM 1707 O MET A 105 10.257 4.939 5.709 1.00 0.00 O ATOM 1708 CB MET A 105 8.538 7.654 6.279 1.00 0.00 C ATOM 1709 CG MET A 105 7.475 6.974 5.432 1.00 0.00 C ATOM 1710 SD MET A 105 5.815 7.582 5.781 1.00 0.00 S ATOM 1711 CE MET A 105 5.734 7.348 7.555 1.00 0.00 C ATOM 0 H MET A 105 9.515 6.679 3.914 1.00 0.00 H new ATOM 0 HA MET A 105 10.649 8.057 6.280 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.396 7.369 7.321 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.399 8.734 6.222 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.701 7.131 4.377 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.508 5.899 5.608 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.692 7.262 7.863 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.269 6.438 7.827 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.191 8.201 8.056 1.00 0.00 H new ATOM 1721 N SER A 106 10.801 5.914 7.658 1.00 0.00 N ATOM 1722 CA SER A 106 11.196 4.663 8.292 1.00 0.00 C ATOM 1723 C SER A 106 9.969 3.837 8.665 1.00 0.00 C ATOM 1724 O SER A 106 9.170 4.241 9.511 1.00 0.00 O ATOM 1725 CB SER A 106 12.037 4.941 9.539 1.00 0.00 C ATOM 1726 OG SER A 106 11.259 5.552 10.553 1.00 0.00 O ATOM 0 H SER A 106 10.893 6.737 8.253 1.00 0.00 H new ATOM 0 HA SER A 106 11.795 4.095 7.580 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.459 4.008 9.912 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.875 5.588 9.280 1.00 0.00 H new ATOM 0 HG SER A 106 10.314 5.330 10.419 1.00 0.00 H new ATOM 1732 N LEU A 107 9.822 2.680 8.026 1.00 0.00 N ATOM 1733 CA LEU A 107 8.689 1.800 8.291 1.00 0.00 C ATOM 1734 C LEU A 107 8.804 1.157 9.670 1.00 0.00 C ATOM 1735 O LEU A 107 7.804 0.742 10.256 1.00 0.00 O ATOM 1736 CB LEU A 107 8.592 0.718 7.216 1.00 0.00 C ATOM 1737 CG LEU A 107 7.167 0.300 6.847 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.489 -0.377 8.026 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.362 1.505 6.385 1.00 0.00 C ATOM 0 H LEU A 107 10.472 2.331 7.322 1.00 0.00 H new ATOM 0 HA LEU A 107 7.782 2.405 8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.095 1.074 6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.136 -0.163 7.558 1.00 0.00 H new ATOM 0 HG LEU A 107 7.218 -0.414 6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.477 -0.668 7.746 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.055 -1.264 8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.448 0.314 8.868 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.351 1.190 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.318 2.242 7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.839 1.948 5.510 1.00 0.00 H new ATOM 1751 N VAL A 108 10.028 1.079 10.185 1.00 0.00 N ATOM 1752 CA VAL A 108 10.268 0.490 11.497 1.00 0.00 C ATOM 1753 C VAL A 108 9.483 1.221 12.586 1.00 0.00 C ATOM 1754 O VAL A 108 9.270 0.687 13.674 1.00 0.00 O ATOM 1755 CB VAL A 108 11.769 0.509 11.854 1.00 0.00 C ATOM 1756 CG1 VAL A 108 12.291 1.938 11.898 1.00 0.00 C ATOM 1757 CG2 VAL A 108 12.015 -0.199 13.178 1.00 0.00 C ATOM 0 H VAL A 108 10.867 1.416 9.714 1.00 0.00 H new ATOM 0 HA VAL A 108 9.927 -0.544 11.446 1.00 0.00 H new ATOM 0 HB VAL A 108 12.314 -0.028 11.077 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.351 1.930 12.151 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.154 2.406 10.923 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.742 2.503 12.651 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.079 -0.174 13.411 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.458 0.304 13.969 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.684 -1.235 13.104 1.00 0.00 H new ATOM 1767 N GLY A 109 9.054 2.444 12.286 1.00 0.00 N ATOM 1768 CA GLY A 109 8.298 3.223 13.247 1.00 0.00 C ATOM 1769 C GLY A 109 6.972 3.695 12.691 1.00 0.00 C ATOM 1770 O GLY A 109 6.587 4.850 12.872 1.00 0.00 O ATOM 0 H GLY A 109 9.218 2.909 11.393 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.122 2.622 14.139 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.888 4.086 13.555 1.00 0.00 H new ATOM 1774 N LEU A 110 6.269 2.795 12.010 1.00 0.00 N ATOM 1775 CA LEU A 110 4.975 3.115 11.422 1.00 0.00 C ATOM 1776 C LEU A 110 3.973 3.484 12.511 1.00 0.00 C ATOM 1777 O LEU A 110 4.073 3.001 13.640 1.00 0.00 O ATOM 1778 CB LEU A 110 4.467 1.920 10.616 1.00 0.00 C ATOM 1779 CG LEU A 110 3.530 2.254 9.455 1.00 0.00 C ATOM 1780 CD1 LEU A 110 4.086 3.396 8.618 1.00 0.00 C ATOM 1781 CD2 LEU A 110 3.311 1.021 8.593 1.00 0.00 C ATOM 0 H LEU A 110 6.576 1.835 11.852 1.00 0.00 H new ATOM 0 HA LEU A 110 5.089 3.971 10.757 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.327 1.380 10.221 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.949 1.242 11.294 1.00 0.00 H new ATOM 0 HG LEU A 110 2.572 2.574 9.866 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.401 3.614 7.799 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.199 4.283 9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.057 3.111 8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.642 1.268 7.768 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.267 0.680 8.196 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.866 0.230 9.196 1.00 0.00 H new ATOM 1793 N ASN A 111 3.023 4.357 12.184 1.00 0.00 N ATOM 1794 CA ASN A 111 2.035 4.791 13.164 1.00 0.00 C ATOM 1795 C ASN A 111 0.604 4.532 12.713 1.00 0.00 C ATOM 1796 O ASN A 111 0.186 4.954 11.635 1.00 0.00 O ATOM 1797 CB ASN A 111 2.222 6.277 13.471 1.00 0.00 C ATOM 1798 CG ASN A 111 2.594 6.528 14.919 1.00 0.00 C ATOM 1799 OD1 ASN A 111 3.642 6.085 15.389 1.00 0.00 O ATOM 1800 ND2 ASN A 111 1.734 7.242 15.636 1.00 0.00 N ATOM 0 H ASN A 111 2.918 4.773 11.259 1.00 0.00 H new ATOM 0 HA ASN A 111 2.199 4.199 14.065 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.999 6.683 12.824 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.301 6.812 13.238 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.931 7.443 16.617 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.877 7.590 15.206 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.150 3.854 13.576 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.547 3.553 13.311 1.00 0.00 C ATOM 1809 C ALA A 112 -2.403 4.819 13.433 1.00 0.00 C ATOM 1810 O ALA A 112 -3.562 4.842 13.019 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.057 2.472 14.257 1.00 0.00 C ATOM 0 H ALA A 112 0.191 3.502 14.471 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.626 3.179 12.290 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.105 2.263 14.040 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.470 1.563 14.121 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.961 2.815 15.287 1.00 0.00 H new ATOM 1817 N ASP A 113 -1.833 5.866 14.032 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.550 7.125 14.224 1.00 0.00 C ATOM 1819 C ASP A 113 -2.596 7.949 12.936 1.00 0.00 C ATOM 1820 O ASP A 113 -3.659 8.422 12.533 1.00 0.00 O ATOM 1821 CB ASP A 113 -1.893 7.941 15.339 1.00 0.00 C ATOM 1822 CG ASP A 113 -2.897 8.769 16.117 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -3.446 9.731 15.541 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -3.134 8.454 17.302 1.00 0.00 O ATOM 0 H ASP A 113 -0.878 5.866 14.392 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.575 6.883 14.506 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.375 7.267 16.022 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.139 8.600 14.908 1.00 0.00 H new ATOM 1829 N ASP A 114 -1.441 8.124 12.294 1.00 0.00 N ATOM 1830 CA ASP A 114 -1.368 8.900 11.054 1.00 0.00 C ATOM 1831 C ASP A 114 -2.113 8.191 9.929 1.00 0.00 C ATOM 1832 O ASP A 114 -2.784 8.826 9.117 1.00 0.00 O ATOM 1833 CB ASP A 114 0.086 9.158 10.625 1.00 0.00 C ATOM 1834 CG ASP A 114 1.118 8.516 11.532 1.00 0.00 C ATOM 1835 OD1 ASP A 114 1.254 8.967 12.690 1.00 0.00 O ATOM 1836 OD2 ASP A 114 1.791 7.564 11.086 1.00 0.00 O ATOM 0 H ASP A 114 -0.549 7.743 12.608 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.841 9.862 11.252 1.00 0.00 H new ATOM 0 HB2 ASP A 114 0.227 8.785 9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 114 0.261 10.234 10.597 1.00 0.00 H new ATOM 1841 N PHE A 115 -1.988 6.873 9.891 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.648 6.071 8.872 1.00 0.00 C ATOM 1843 C PHE A 115 -4.127 5.878 9.227 1.00 0.00 C ATOM 1844 O PHE A 115 -4.560 6.267 10.311 1.00 0.00 O ATOM 1845 CB PHE A 115 -1.924 4.718 8.740 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.652 3.565 9.368 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.185 3.693 10.631 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -2.800 2.361 8.702 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.856 2.650 11.230 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.470 1.311 9.293 1.00 0.00 C ATOM 1851 CZ PHE A 115 -3.998 1.456 10.561 1.00 0.00 C ATOM 0 H PHE A 115 -1.433 6.335 10.557 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.602 6.585 7.912 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.770 4.503 7.683 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.937 4.801 9.195 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.075 4.627 11.161 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.387 2.243 7.711 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.269 2.769 12.221 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.582 0.376 8.765 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.521 0.634 11.026 1.00 0.00 H new ATOM 1861 N PRO A 116 -4.919 5.265 8.331 1.00 0.00 N ATOM 1862 CA PRO A 116 -6.342 5.020 8.587 1.00 0.00 C ATOM 1863 C PRO A 116 -6.546 3.895 9.604 1.00 0.00 C ATOM 1864 O PRO A 116 -5.998 2.807 9.447 1.00 0.00 O ATOM 1865 CB PRO A 116 -6.878 4.608 7.216 1.00 0.00 C ATOM 1866 CG PRO A 116 -5.708 4.005 6.521 1.00 0.00 C ATOM 1867 CD PRO A 116 -4.497 4.752 7.014 1.00 0.00 C ATOM 0 HA PRO A 116 -6.847 5.889 9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.696 3.893 7.309 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.266 5.467 6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.627 2.941 6.745 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.808 4.096 5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.629 4.098 7.098 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -4.222 5.561 6.338 1.00 0.00 H new ATOM 1875 N PRO A 117 -7.333 4.143 10.668 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.591 3.141 11.713 1.00 0.00 C ATOM 1877 C PRO A 117 -8.301 1.894 11.189 1.00 0.00 C ATOM 1878 O PRO A 117 -8.348 0.868 11.868 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.485 3.881 12.715 1.00 0.00 C ATOM 1880 CG PRO A 117 -9.069 5.016 11.948 1.00 0.00 C ATOM 1881 CD PRO A 117 -8.026 5.412 10.945 1.00 0.00 C ATOM 0 HA PRO A 117 -6.659 2.770 12.140 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.264 3.227 13.106 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.909 4.237 13.569 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -9.994 4.719 11.454 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.313 5.849 12.607 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.472 5.833 10.044 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.346 6.164 11.345 1.00 0.00 H new ATOM 1889 N ALA A 118 -8.858 1.987 9.987 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.569 0.864 9.386 1.00 0.00 C ATOM 1891 C ALA A 118 -8.623 -0.256 8.961 1.00 0.00 C ATOM 1892 O ALA A 118 -9.067 -1.340 8.582 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.390 1.339 8.196 1.00 0.00 C ATOM 0 H ALA A 118 -8.831 2.827 9.410 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.235 0.456 10.146 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -10.916 0.492 7.756 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.114 2.083 8.527 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.729 1.782 7.451 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.324 0.011 9.006 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.329 -0.976 8.603 1.00 0.00 C ATOM 1901 C ASN A 119 -5.349 -1.277 9.738 1.00 0.00 C ATOM 1902 O ASN A 119 -4.177 -1.565 9.496 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.577 -0.449 7.382 1.00 0.00 C ATOM 1904 CG ASN A 119 -6.069 -1.049 6.078 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.286 -1.290 5.162 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.373 -1.284 5.984 1.00 0.00 N ATOM 0 H ASN A 119 -6.935 0.901 9.317 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.838 -1.908 8.355 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.680 0.635 7.339 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.514 -0.663 7.496 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -7.759 -1.680 5.127 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.988 -1.069 6.769 1.00 0.00 H new ATOM 1913 N GLU A 120 -5.830 -1.201 10.975 1.00 0.00 N ATOM 1914 CA GLU A 120 -4.985 -1.453 12.142 1.00 0.00 C ATOM 1915 C GLU A 120 -4.650 -2.939 12.313 1.00 0.00 C ATOM 1916 O GLU A 120 -3.551 -3.273 12.741 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.652 -0.910 13.410 1.00 0.00 C ATOM 1918 CG GLU A 120 -4.900 0.251 14.040 1.00 0.00 C ATOM 1919 CD GLU A 120 -5.356 0.539 15.457 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -4.906 -0.170 16.381 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -6.161 1.476 15.641 1.00 0.00 O ATOM 0 H GLU A 120 -6.798 -0.968 11.197 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.044 -0.929 11.975 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.665 -0.588 13.169 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.738 -1.715 14.139 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.833 0.029 14.043 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.038 1.143 13.429 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.580 -3.855 11.999 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.333 -5.296 12.144 1.00 0.00 C ATOM 1930 C PRO A 121 -4.036 -5.746 11.474 1.00 0.00 C ATOM 1931 O PRO A 121 -3.254 -6.497 12.058 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.541 -5.934 11.456 1.00 0.00 C ATOM 1933 CG PRO A 121 -7.621 -4.914 11.567 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.938 -3.576 11.493 1.00 0.00 C ATOM 0 HA PRO A 121 -5.218 -5.581 13.190 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.325 -6.170 10.414 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -6.826 -6.867 11.942 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.347 -5.026 10.762 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.165 -5.023 12.505 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.915 -3.193 10.473 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.448 -2.830 12.103 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.814 -5.288 10.248 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.612 -5.647 9.500 1.00 0.00 C ATOM 1944 C VAL A 122 -1.409 -4.854 9.991 1.00 0.00 C ATOM 1945 O VAL A 122 -0.357 -5.418 10.295 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.772 -5.398 7.984 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.907 -6.364 7.192 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.229 -5.509 7.558 1.00 0.00 C ATOM 0 H VAL A 122 -4.450 -4.666 9.749 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.456 -6.712 9.669 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.440 -4.382 7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.032 -6.174 6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.861 -6.224 7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.206 -7.388 7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.309 -5.329 6.486 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.600 -6.508 7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.823 -4.770 8.096 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.576 -3.540 10.056 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.513 -2.653 10.500 1.00 0.00 C ATOM 1960 C ILE A 123 -0.114 -2.947 11.941 1.00 0.00 C ATOM 1961 O ILE A 123 1.044 -2.788 12.313 1.00 0.00 O ATOM 1962 CB ILE A 123 -0.934 -1.175 10.361 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -0.859 -0.751 8.891 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.063 -0.275 11.231 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.471 -0.147 8.499 1.00 0.00 C ATOM 0 H ILE A 123 -2.443 -3.064 9.805 1.00 0.00 H new ATOM 0 HA ILE A 123 0.351 -2.833 9.860 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.963 -1.070 10.706 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.053 -1.619 8.261 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.650 -0.028 8.690 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.380 0.761 11.115 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.164 -0.570 12.275 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.979 -0.372 10.926 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.449 0.129 7.445 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.659 0.741 9.102 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.265 -0.875 8.667 1.00 0.00 H new ATOM 1977 N ALA A 124 -1.076 -3.378 12.747 1.00 0.00 N ATOM 1978 CA ALA A 124 -0.811 -3.694 14.144 1.00 0.00 C ATOM 1979 C ALA A 124 0.319 -4.706 14.254 1.00 0.00 C ATOM 1980 O ALA A 124 1.126 -4.657 15.182 1.00 0.00 O ATOM 1981 CB ALA A 124 -2.068 -4.223 14.817 1.00 0.00 C ATOM 0 H ALA A 124 -2.044 -3.516 12.458 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.506 -2.780 14.654 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -1.852 -4.454 15.860 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.853 -3.468 14.767 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.401 -5.127 14.307 1.00 0.00 H new ATOM 1987 N LYS A 125 0.369 -5.622 13.294 1.00 0.00 N ATOM 1988 CA LYS A 125 1.405 -6.649 13.274 1.00 0.00 C ATOM 1989 C LYS A 125 2.789 -6.031 13.061 1.00 0.00 C ATOM 1990 O LYS A 125 3.716 -6.281 13.833 1.00 0.00 O ATOM 1991 CB LYS A 125 1.114 -7.674 12.175 1.00 0.00 C ATOM 1992 CG LYS A 125 0.685 -9.032 12.707 1.00 0.00 C ATOM 1993 CD LYS A 125 -0.820 -9.104 12.904 1.00 0.00 C ATOM 1994 CE LYS A 125 -1.244 -10.448 13.470 1.00 0.00 C ATOM 1995 NZ LYS A 125 -2.567 -10.374 14.151 1.00 0.00 N ATOM 0 H LYS A 125 -0.294 -5.675 12.521 1.00 0.00 H new ATOM 0 HA LYS A 125 1.400 -7.151 14.241 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.331 -7.284 11.524 1.00 0.00 H new ATOM 0 HB3 LYS A 125 2.006 -7.799 11.561 1.00 0.00 H new ATOM 0 HG2 LYS A 125 1.000 -9.811 12.013 1.00 0.00 H new ATOM 0 HG3 LYS A 125 1.187 -9.227 13.655 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.138 -8.308 13.577 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.321 -8.935 11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.291 -11.182 12.665 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.491 -10.798 14.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.819 -11.312 14.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.516 -9.693 14.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.291 -10.065 13.471 1.00 0.00 H new ATOM 2009 N LEU A 126 2.920 -5.230 12.008 1.00 0.00 N ATOM 2010 CA LEU A 126 4.188 -4.579 11.684 1.00 0.00 C ATOM 2011 C LEU A 126 4.439 -3.363 12.571 1.00 0.00 C ATOM 2012 O LEU A 126 5.572 -2.903 12.704 1.00 0.00 O ATOM 2013 CB LEU A 126 4.203 -4.156 10.214 1.00 0.00 C ATOM 2014 CG LEU A 126 5.581 -4.164 9.549 1.00 0.00 C ATOM 2015 CD1 LEU A 126 6.451 -3.050 10.108 1.00 0.00 C ATOM 2016 CD2 LEU A 126 6.256 -5.516 9.736 1.00 0.00 C ATOM 0 H LEU A 126 2.161 -5.015 11.361 1.00 0.00 H new ATOM 0 HA LEU A 126 4.984 -5.301 11.866 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.543 -4.819 9.655 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.786 -3.152 10.137 1.00 0.00 H new ATOM 0 HG LEU A 126 5.448 -3.991 8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 126 7.427 -3.072 9.623 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.975 -2.088 9.921 1.00 0.00 H new ATOM 0 HD13 LEU A 126 6.576 -3.190 11.182 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.235 -5.503 9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.376 -5.719 10.800 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.641 -6.295 9.285 1.00 0.00 H new ATOM 2028 N LYS A 127 3.378 -2.836 13.168 1.00 0.00 N ATOM 2029 CA LYS A 127 3.492 -1.671 14.032 1.00 0.00 C ATOM 2030 C LYS A 127 4.106 -2.053 15.364 1.00 0.00 C ATOM 2031 O LYS A 127 4.975 -1.356 15.889 1.00 0.00 O ATOM 2032 CB LYS A 127 2.122 -1.058 14.263 1.00 0.00 C ATOM 2033 CG LYS A 127 2.164 0.265 15.006 1.00 0.00 C ATOM 2034 CD LYS A 127 0.810 0.955 14.993 1.00 0.00 C ATOM 2035 CE LYS A 127 0.549 1.691 16.298 1.00 0.00 C ATOM 2036 NZ LYS A 127 1.566 2.748 16.553 1.00 0.00 N ATOM 0 H LYS A 127 2.429 -3.198 13.069 1.00 0.00 H new ATOM 0 HA LYS A 127 4.138 -0.943 13.542 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.633 -0.909 13.300 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.509 -1.762 14.826 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.477 0.095 16.036 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.910 0.916 14.550 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.767 1.659 14.162 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.025 0.217 14.827 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.443 2.142 16.268 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.551 0.979 17.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 2.139 2.486 17.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 2.183 2.844 15.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 1.088 3.653 16.736 1.00 0.00 H new ATOM 2050 N ARG A 128 3.660 -3.182 15.896 1.00 0.00 N ATOM 2051 CA ARG A 128 4.176 -3.681 17.157 1.00 0.00 C ATOM 2052 C ARG A 128 5.636 -4.091 16.995 1.00 0.00 C ATOM 2053 O ARG A 128 6.326 -4.359 17.979 1.00 0.00 O ATOM 2054 CB ARG A 128 3.338 -4.868 17.639 1.00 0.00 C ATOM 2055 CG ARG A 128 3.890 -5.546 18.883 1.00 0.00 C ATOM 2056 CD ARG A 128 3.026 -6.723 19.305 1.00 0.00 C ATOM 2057 NE ARG A 128 3.461 -7.973 18.687 1.00 0.00 N ATOM 2058 CZ ARG A 128 2.832 -9.135 18.840 1.00 0.00 C ATOM 2059 NH1 ARG A 128 1.739 -9.211 19.589 1.00 0.00 N ATOM 2060 NH2 ARG A 128 3.296 -10.224 18.242 1.00 0.00 N ATOM 0 H ARG A 128 2.941 -3.768 15.472 1.00 0.00 H new ATOM 0 HA ARG A 128 4.115 -2.889 17.904 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.324 -4.525 17.844 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.270 -5.602 16.836 1.00 0.00 H new ATOM 0 HG2 ARG A 128 4.906 -5.890 18.691 1.00 0.00 H new ATOM 0 HG3 ARG A 128 3.946 -4.824 19.698 1.00 0.00 H new ATOM 0 HD2 ARG A 128 3.058 -6.825 20.390 1.00 0.00 H new ATOM 0 HD3 ARG A 128 1.989 -6.527 19.034 1.00 0.00 H new ATOM 0 HE ARG A 128 4.297 -7.954 18.103 1.00 0.00 H new ATOM 0 HH11 ARG A 128 1.378 -8.376 20.050 1.00 0.00 H new ATOM 0 HH12 ARG A 128 1.260 -10.104 19.703 1.00 0.00 H new ATOM 0 HH21 ARG A 128 4.135 -10.171 17.665 1.00 0.00 H new ATOM 0 HH22 ARG A 128 2.814 -11.115 18.359 1.00 0.00 H new ATOM 2074 N LEU A 129 6.104 -4.132 15.747 1.00 0.00 N ATOM 2075 CA LEU A 129 7.489 -4.506 15.474 1.00 0.00 C ATOM 2076 C LEU A 129 8.452 -3.499 16.102 1.00 0.00 C ATOM 2077 O LEU A 129 9.650 -3.758 16.215 1.00 0.00 O ATOM 2078 CB LEU A 129 7.727 -4.624 13.960 1.00 0.00 C ATOM 2079 CG LEU A 129 8.737 -3.639 13.362 1.00 0.00 C ATOM 2080 CD1 LEU A 129 9.128 -4.062 11.954 1.00 0.00 C ATOM 2081 CD2 LEU A 129 8.170 -2.226 13.360 1.00 0.00 C ATOM 0 H LEU A 129 5.550 -3.913 14.919 1.00 0.00 H new ATOM 0 HA LEU A 129 7.679 -5.480 15.924 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.065 -5.637 13.743 1.00 0.00 H new ATOM 0 HB3 LEU A 129 6.773 -4.490 13.450 1.00 0.00 H new ATOM 0 HG LEU A 129 9.633 -3.647 13.983 1.00 0.00 H new ATOM 0 HD11 LEU A 129 9.846 -3.350 11.546 1.00 0.00 H new ATOM 0 HD12 LEU A 129 9.578 -5.054 11.984 1.00 0.00 H new ATOM 0 HD13 LEU A 129 8.241 -4.085 11.321 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.902 -1.541 12.932 1.00 0.00 H new ATOM 0 HD22 LEU A 129 7.257 -2.201 12.764 1.00 0.00 H new ATOM 0 HD23 LEU A 129 7.944 -1.923 14.382 1.00 0.00 H new