USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 672 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 15 SER OG : rot -80:sc= 0.726 USER MOD Set 1.2: A 78 LYS NZ :NH3+ 146:sc= -0.537 (180deg=-2.69!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.894 K(o=0.89,f=-0.94) USER MOD Single : A 12 ASN : amide:sc= 0.899 K(o=0.9,f=-1.7!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 17 MET CE :methyl 176:sc=-0.00843 (180deg=-0.0209) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00366 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.978 K(o=0.98,f=-4.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 0.631 (180deg=0.602) USER MOD Single : A 42 GLN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 44 GLN : amide:sc= 0.184 X(o=0.18,f=-0.24) USER MOD Single : A 46 ASN : amide:sc= 0.741 K(o=0.74,f=-0.041) USER MOD Single : A 53 GLN : amide:sc= -3.09! K(o=-3.1!,f=-0.074) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00458 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 64 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0759 X(o=-0.076,f=-0.51) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 74 THR OG1 : rot -120:sc= -0.0501 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= 0.748 (180deg=0.697) USER MOD ----------------------------------------------------------------- ATOM 42 N ASP A 4 9.684 9.483 -0.742 1.00 35.41 N ATOM 43 CA ASP A 4 9.708 8.119 -1.228 1.00 35.31 C ATOM 44 C ASP A 4 8.377 7.535 -0.775 1.00 52.52 C ATOM 45 O ASP A 4 8.195 7.137 0.377 1.00 35.34 O ATOM 46 CB ASP A 4 10.873 7.321 -0.621 1.00 23.32 C ATOM 47 CG ASP A 4 12.254 7.769 -1.100 1.00 51.54 C ATOM 48 OD1 ASP A 4 12.643 8.923 -0.772 1.00 14.20 O ATOM 49 OD2 ASP A 4 12.918 7.013 -1.838 1.00 54.45 O ATOM 0 HA ASP A 4 9.848 8.078 -2.308 1.00 35.31 H new ATOM 0 HB2 ASP A 4 10.831 7.407 0.465 1.00 23.32 H new ATOM 0 HB3 ASP A 4 10.741 6.266 -0.862 1.00 23.32 H new ATOM 54 N THR A 5 7.397 7.602 -1.668 1.00 62.42 N ATOM 55 CA THR A 5 6.084 7.010 -1.477 1.00 35.23 C ATOM 56 C THR A 5 6.033 5.672 -2.194 1.00 14.23 C ATOM 57 O THR A 5 6.435 5.575 -3.354 1.00 72.41 O ATOM 58 CB THR A 5 5.004 7.994 -1.946 1.00 15.54 C ATOM 59 OG1 THR A 5 5.164 9.209 -1.228 1.00 3.52 O ATOM 60 CG2 THR A 5 3.584 7.466 -1.762 1.00 35.05 C ATOM 0 H THR A 5 7.498 8.080 -2.563 1.00 62.42 H new ATOM 0 HA THR A 5 5.891 6.815 -0.422 1.00 35.23 H new ATOM 0 HB THR A 5 5.135 8.146 -3.017 1.00 15.54 H new ATOM 0 HG1 THR A 5 4.482 9.851 -1.516 1.00 3.52 H new ATOM 0 HG21 THR A 5 2.870 8.211 -2.114 1.00 35.05 H new ATOM 0 HG22 THR A 5 3.461 6.547 -2.335 1.00 35.05 H new ATOM 0 HG23 THR A 5 3.405 7.262 -0.706 1.00 35.05 H new ATOM 68 N ILE A 6 5.510 4.653 -1.515 1.00 3.22 N ATOM 69 CA ILE A 6 5.089 3.429 -2.186 1.00 24.35 C ATOM 70 C ILE A 6 3.586 3.587 -2.388 1.00 75.21 C ATOM 71 O ILE A 6 2.874 3.994 -1.465 1.00 62.21 O ATOM 72 CB ILE A 6 5.504 2.166 -1.395 1.00 54.42 C ATOM 73 CG1 ILE A 6 7.023 2.195 -1.124 1.00 61.24 C ATOM 74 CG2 ILE A 6 5.103 0.886 -2.145 1.00 75.40 C ATOM 75 CD1 ILE A 6 7.559 0.962 -0.392 1.00 75.14 C ATOM 0 H ILE A 6 5.369 4.652 -0.505 1.00 3.22 H new ATOM 0 HA ILE A 6 5.581 3.284 -3.148 1.00 24.35 H new ATOM 0 HB ILE A 6 4.977 2.163 -0.441 1.00 54.42 H new ATOM 0 HG12 ILE A 6 7.547 2.295 -2.074 1.00 61.24 H new ATOM 0 HG13 ILE A 6 7.258 3.082 -0.536 1.00 61.24 H new ATOM 0 HG21 ILE A 6 5.407 0.014 -1.566 1.00 75.40 H new ATOM 0 HG22 ILE A 6 4.022 0.870 -2.285 1.00 75.40 H new ATOM 0 HG23 ILE A 6 5.595 0.865 -3.117 1.00 75.40 H new ATOM 0 HD11 ILE A 6 8.634 1.066 -0.243 1.00 75.14 H new ATOM 0 HD12 ILE A 6 7.066 0.870 0.576 1.00 75.14 H new ATOM 0 HD13 ILE A 6 7.360 0.071 -0.987 1.00 75.14 H new ATOM 87 N ILE A 7 3.110 3.325 -3.600 1.00 52.33 N ATOM 88 CA ILE A 7 1.690 3.281 -3.935 1.00 60.44 C ATOM 89 C ILE A 7 1.345 1.799 -4.126 1.00 11.53 C ATOM 90 O ILE A 7 2.200 1.004 -4.503 1.00 75.41 O ATOM 91 CB ILE A 7 1.381 4.182 -5.164 1.00 51.11 C ATOM 92 CG1 ILE A 7 1.968 5.596 -4.940 1.00 0.31 C ATOM 93 CG2 ILE A 7 -0.135 4.259 -5.440 1.00 42.30 C ATOM 94 CD1 ILE A 7 1.561 6.654 -5.971 1.00 22.21 C ATOM 0 H ILE A 7 3.716 3.132 -4.398 1.00 52.33 H new ATOM 0 HA ILE A 7 1.059 3.691 -3.147 1.00 60.44 H new ATOM 0 HB ILE A 7 1.850 3.736 -6.041 1.00 51.11 H new ATOM 0 HG12 ILE A 7 1.666 5.943 -3.952 1.00 0.31 H new ATOM 0 HG13 ILE A 7 3.055 5.521 -4.933 1.00 0.31 H new ATOM 0 HG21 ILE A 7 -0.315 4.897 -6.305 1.00 42.30 H new ATOM 0 HG22 ILE A 7 -0.520 3.259 -5.640 1.00 42.30 H new ATOM 0 HG23 ILE A 7 -0.642 4.676 -4.570 1.00 42.30 H new ATOM 0 HD11 ILE A 7 2.028 7.606 -5.719 1.00 22.21 H new ATOM 0 HD12 ILE A 7 1.888 6.341 -6.962 1.00 22.21 H new ATOM 0 HD13 ILE A 7 0.477 6.769 -5.966 1.00 22.21 H new ATOM 106 N LEU A 8 0.103 1.412 -3.854 1.00 31.44 N ATOM 107 CA LEU A 8 -0.423 0.070 -4.073 1.00 54.51 C ATOM 108 C LEU A 8 -1.601 0.191 -5.026 1.00 3.15 C ATOM 109 O LEU A 8 -2.274 1.224 -5.044 1.00 54.53 O ATOM 110 CB LEU A 8 -0.925 -0.564 -2.769 1.00 51.40 C ATOM 111 CG LEU A 8 0.114 -1.209 -1.841 1.00 33.24 C ATOM 112 CD1 LEU A 8 1.189 -0.236 -1.351 1.00 60.04 C ATOM 113 CD2 LEU A 8 -0.656 -1.761 -0.634 1.00 51.33 C ATOM 0 H LEU A 8 -0.590 2.048 -3.460 1.00 31.44 H new ATOM 0 HA LEU A 8 0.372 -0.559 -4.473 1.00 54.51 H new ATOM 0 HB2 LEU A 8 -1.449 0.206 -2.202 1.00 51.40 H new ATOM 0 HB3 LEU A 8 -1.661 -1.325 -3.028 1.00 51.40 H new ATOM 0 HG LEU A 8 0.643 -1.982 -2.399 1.00 33.24 H new ATOM 0 HD11 LEU A 8 1.887 -0.763 -0.701 1.00 60.04 H new ATOM 0 HD12 LEU A 8 1.727 0.172 -2.206 1.00 60.04 H new ATOM 0 HD13 LEU A 8 0.719 0.576 -0.797 1.00 60.04 H new ATOM 0 HD21 LEU A 8 0.042 -2.232 0.058 1.00 51.33 H new ATOM 0 HD22 LEU A 8 -1.174 -0.946 -0.129 1.00 51.33 H new ATOM 0 HD23 LEU A 8 -1.384 -2.498 -0.973 1.00 51.33 H new ATOM 125 N ARG A 9 -1.919 -0.878 -5.756 1.00 71.12 N ATOM 126 CA ARG A 9 -3.083 -0.937 -6.654 1.00 55.20 C ATOM 127 C ARG A 9 -3.762 -2.298 -6.522 1.00 64.33 C ATOM 128 O ARG A 9 -3.239 -3.184 -5.847 1.00 51.54 O ATOM 129 CB ARG A 9 -2.676 -0.678 -8.116 1.00 60.21 C ATOM 130 CG ARG A 9 -2.020 0.683 -8.378 1.00 52.52 C ATOM 131 CD ARG A 9 -1.315 0.661 -9.748 1.00 62.41 C ATOM 132 NE ARG A 9 -2.234 0.407 -10.872 1.00 13.23 N ATOM 133 CZ ARG A 9 -3.300 1.127 -11.240 1.00 21.43 C ATOM 134 NH1 ARG A 9 -3.548 2.322 -10.710 1.00 43.22 N ATOM 135 NH2 ARG A 9 -4.144 0.615 -12.124 1.00 61.04 N ATOM 0 H ARG A 9 -1.373 -1.739 -5.744 1.00 71.12 H new ATOM 0 HA ARG A 9 -3.783 -0.154 -6.364 1.00 55.20 H new ATOM 0 HB2 ARG A 9 -1.987 -1.462 -8.429 1.00 60.21 H new ATOM 0 HB3 ARG A 9 -3.563 -0.763 -8.744 1.00 60.21 H new ATOM 0 HG2 ARG A 9 -2.773 1.471 -8.358 1.00 52.52 H new ATOM 0 HG3 ARG A 9 -1.301 0.909 -7.591 1.00 52.52 H new ATOM 0 HD2 ARG A 9 -0.814 1.616 -9.906 1.00 62.41 H new ATOM 0 HD3 ARG A 9 -0.542 -0.107 -9.739 1.00 62.41 H new ATOM 0 HE ARG A 9 -2.033 -0.418 -11.438 1.00 13.23 H new ATOM 0 HH11 ARG A 9 -2.919 2.708 -10.007 1.00 43.22 H new ATOM 0 HH12 ARG A 9 -4.367 2.852 -11.007 1.00 43.22 H new ATOM 0 HH21 ARG A 9 -3.975 -0.313 -12.512 1.00 61.04 H new ATOM 0 HH22 ARG A 9 -4.962 1.149 -12.417 1.00 61.04 H new ATOM 149 N ASN A 10 -4.908 -2.464 -7.180 1.00 34.14 N ATOM 150 CA ASN A 10 -5.794 -3.626 -7.117 1.00 3.32 C ATOM 151 C ASN A 10 -6.364 -3.844 -5.710 1.00 40.10 C ATOM 152 O ASN A 10 -6.629 -4.964 -5.293 1.00 71.21 O ATOM 153 CB ASN A 10 -5.146 -4.884 -7.736 1.00 21.13 C ATOM 154 CG ASN A 10 -6.177 -6.000 -7.922 1.00 34.42 C ATOM 155 OD1 ASN A 10 -7.294 -5.745 -8.363 1.00 52.41 O ATOM 156 ND2 ASN A 10 -5.844 -7.234 -7.585 1.00 43.53 N ATOM 0 H ASN A 10 -5.265 -1.746 -7.811 1.00 34.14 H new ATOM 0 HA ASN A 10 -6.659 -3.411 -7.744 1.00 3.32 H new ATOM 0 HB2 ASN A 10 -4.701 -4.632 -8.699 1.00 21.13 H new ATOM 0 HB3 ASN A 10 -4.338 -5.234 -7.094 1.00 21.13 H new ATOM 0 HD21 ASN A 10 -6.519 -7.991 -7.690 1.00 43.53 H new ATOM 0 HD22 ASN A 10 -4.912 -7.429 -7.220 1.00 43.53 H new ATOM 163 N LEU A 11 -6.556 -2.786 -4.921 1.00 71.34 N ATOM 164 CA LEU A 11 -7.221 -2.889 -3.634 1.00 61.41 C ATOM 165 C LEU A 11 -8.698 -3.136 -3.943 1.00 24.41 C ATOM 166 O LEU A 11 -9.307 -2.349 -4.671 1.00 21.23 O ATOM 167 CB LEU A 11 -7.061 -1.585 -2.841 1.00 4.32 C ATOM 168 CG LEU A 11 -5.647 -1.114 -2.446 1.00 62.00 C ATOM 169 CD1 LEU A 11 -5.078 -1.829 -1.232 1.00 63.21 C ATOM 170 CD2 LEU A 11 -4.586 -1.165 -3.524 1.00 55.34 C ATOM 0 H LEU A 11 -6.255 -1.841 -5.160 1.00 71.34 H new ATOM 0 HA LEU A 11 -6.795 -3.690 -3.031 1.00 61.41 H new ATOM 0 HB2 LEU A 11 -7.521 -0.788 -3.424 1.00 4.32 H new ATOM 0 HB3 LEU A 11 -7.642 -1.685 -1.924 1.00 4.32 H new ATOM 0 HG LEU A 11 -5.852 -0.066 -2.227 1.00 62.00 H new ATOM 0 HD11 LEU A 11 -4.082 -1.443 -1.016 1.00 63.21 H new ATOM 0 HD12 LEU A 11 -5.727 -1.659 -0.373 1.00 63.21 H new ATOM 0 HD13 LEU A 11 -5.017 -2.898 -1.435 1.00 63.21 H new ATOM 0 HD21 LEU A 11 -3.639 -0.808 -3.119 1.00 55.34 H new ATOM 0 HD22 LEU A 11 -4.469 -2.192 -3.871 1.00 55.34 H new ATOM 0 HD23 LEU A 11 -4.885 -0.532 -4.359 1.00 55.34 H new ATOM 182 N ASN A 12 -9.279 -4.216 -3.416 1.00 73.13 N ATOM 183 CA ASN A 12 -10.713 -4.457 -3.595 1.00 51.54 C ATOM 184 C ASN A 12 -11.510 -3.351 -2.908 1.00 72.14 C ATOM 185 O ASN A 12 -11.069 -2.857 -1.864 1.00 62.04 O ATOM 186 CB ASN A 12 -11.166 -5.815 -3.012 1.00 71.43 C ATOM 187 CG ASN A 12 -11.489 -6.853 -4.079 1.00 53.24 C ATOM 188 OD1 ASN A 12 -11.081 -6.729 -5.231 1.00 14.34 O ATOM 189 ND2 ASN A 12 -12.218 -7.887 -3.723 1.00 72.43 N ATOM 0 H ASN A 12 -8.790 -4.926 -2.871 1.00 73.13 H new ATOM 0 HA ASN A 12 -10.898 -4.469 -4.669 1.00 51.54 H new ATOM 0 HB2 ASN A 12 -10.381 -6.204 -2.363 1.00 71.43 H new ATOM 0 HB3 ASN A 12 -12.047 -5.659 -2.389 1.00 71.43 H new ATOM 0 HD21 ASN A 12 -12.454 -8.605 -4.408 1.00 72.43 H new ATOM 0 HD22 ASN A 12 -12.547 -7.972 -2.761 1.00 72.43 H new ATOM 196 N PRO A 13 -12.731 -3.068 -3.387 1.00 11.15 N ATOM 197 CA PRO A 13 -13.645 -2.146 -2.730 1.00 43.42 C ATOM 198 C PRO A 13 -13.970 -2.604 -1.305 1.00 63.10 C ATOM 199 O PRO A 13 -13.923 -1.793 -0.379 1.00 4.21 O ATOM 200 CB PRO A 13 -14.871 -2.070 -3.648 1.00 11.22 C ATOM 201 CG PRO A 13 -14.807 -3.321 -4.516 1.00 41.10 C ATOM 202 CD PRO A 13 -13.317 -3.602 -4.610 1.00 40.41 C ATOM 0 HA PRO A 13 -13.214 -1.154 -2.595 1.00 43.42 H new ATOM 0 HB2 PRO A 13 -15.794 -2.041 -3.069 1.00 11.22 H new ATOM 0 HB3 PRO A 13 -14.849 -1.167 -4.258 1.00 11.22 H new ATOM 0 HG2 PRO A 13 -15.346 -4.153 -4.063 1.00 41.10 H new ATOM 0 HG3 PRO A 13 -15.248 -3.152 -5.499 1.00 41.10 H new ATOM 0 HD2 PRO A 13 -13.126 -4.671 -4.700 1.00 40.41 H new ATOM 0 HD3 PRO A 13 -12.885 -3.126 -5.490 1.00 40.41 H new ATOM 210 N HIS A 14 -14.235 -3.902 -1.120 1.00 21.11 N ATOM 211 CA HIS A 14 -14.485 -4.528 0.177 1.00 42.10 C ATOM 212 C HIS A 14 -13.265 -4.543 1.106 1.00 31.41 C ATOM 213 O HIS A 14 -13.426 -4.823 2.291 1.00 21.04 O ATOM 214 CB HIS A 14 -14.997 -5.965 -0.028 1.00 75.30 C ATOM 215 CG HIS A 14 -16.493 -6.060 0.101 1.00 35.03 C ATOM 216 ND1 HIS A 14 -17.189 -6.112 1.286 1.00 3.13 N ATOM 217 CD2 HIS A 14 -17.403 -6.096 -0.919 1.00 0.45 C ATOM 218 CE1 HIS A 14 -18.493 -6.186 0.982 1.00 74.20 C ATOM 219 NE2 HIS A 14 -18.678 -6.209 -0.350 1.00 14.32 N ATOM 0 H HIS A 14 -14.282 -4.564 -1.895 1.00 21.11 H new ATOM 0 HA HIS A 14 -15.239 -3.915 0.670 1.00 42.10 H new ATOM 0 HB2 HIS A 14 -14.696 -6.319 -1.014 1.00 75.30 H new ATOM 0 HB3 HIS A 14 -14.529 -6.623 0.704 1.00 75.30 H new ATOM 0 HD2 HIS A 14 -17.179 -6.046 -1.974 1.00 0.45 H new ATOM 0 HE1 HIS A 14 -19.289 -6.222 1.711 1.00 74.20 H new ATOM 0 HE2 HIS A 14 -19.566 -6.292 -0.845 1.00 14.32 H new ATOM 227 N SER A 15 -12.047 -4.291 0.615 1.00 74.42 N ATOM 228 CA SER A 15 -10.864 -4.297 1.468 1.00 74.23 C ATOM 229 C SER A 15 -10.915 -3.094 2.414 1.00 63.20 C ATOM 230 O SER A 15 -11.575 -2.093 2.126 1.00 75.43 O ATOM 231 CB SER A 15 -9.610 -4.254 0.583 1.00 2.44 C ATOM 232 OG SER A 15 -8.460 -4.746 1.246 1.00 75.42 O ATOM 0 H SER A 15 -11.859 -4.082 -0.365 1.00 74.42 H new ATOM 0 HA SER A 15 -10.833 -5.204 2.071 1.00 74.23 H new ATOM 0 HB2 SER A 15 -9.785 -4.842 -0.318 1.00 2.44 H new ATOM 0 HB3 SER A 15 -9.430 -3.227 0.264 1.00 2.44 H new ATOM 0 HG SER A 15 -8.097 -4.049 1.831 1.00 75.42 H new ATOM 238 N THR A 16 -10.095 -3.120 3.458 1.00 63.44 N ATOM 239 CA THR A 16 -9.830 -1.978 4.316 1.00 41.24 C ATOM 240 C THR A 16 -8.316 -1.758 4.333 1.00 2.34 C ATOM 241 O THR A 16 -7.615 -2.205 3.418 1.00 23.05 O ATOM 242 CB THR A 16 -10.552 -2.174 5.662 1.00 42.21 C ATOM 243 OG1 THR A 16 -10.443 -1.043 6.505 1.00 74.40 O ATOM 244 CG2 THR A 16 -10.091 -3.375 6.485 1.00 55.23 C ATOM 0 H THR A 16 -9.585 -3.958 3.736 1.00 63.44 H new ATOM 0 HA THR A 16 -10.244 -1.036 3.956 1.00 41.24 H new ATOM 0 HB THR A 16 -11.581 -2.344 5.346 1.00 42.21 H new ATOM 0 HG1 THR A 16 -10.918 -1.214 7.345 1.00 74.40 H new ATOM 0 HG21 THR A 16 -10.662 -3.422 7.412 1.00 55.23 H new ATOM 0 HG22 THR A 16 -10.250 -4.290 5.914 1.00 55.23 H new ATOM 0 HG23 THR A 16 -9.031 -3.272 6.717 1.00 55.23 H new ATOM 252 N MET A 17 -7.832 -0.980 5.295 1.00 53.42 N ATOM 253 CA MET A 17 -6.439 -0.801 5.639 1.00 34.04 C ATOM 254 C MET A 17 -6.065 -1.917 6.588 1.00 2.43 C ATOM 255 O MET A 17 -5.123 -2.646 6.325 1.00 12.12 O ATOM 256 CB MET A 17 -6.291 0.540 6.356 1.00 33.14 C ATOM 257 CG MET A 17 -4.856 0.819 6.805 1.00 54.23 C ATOM 258 SD MET A 17 -4.664 2.261 7.879 1.00 75.04 S ATOM 259 CE MET A 17 -4.924 3.613 6.710 1.00 43.31 C ATOM 0 H MET A 17 -8.448 -0.425 5.889 1.00 53.42 H new ATOM 0 HA MET A 17 -5.802 -0.817 4.755 1.00 34.04 H new ATOM 0 HB2 MET A 17 -6.621 1.339 5.693 1.00 33.14 H new ATOM 0 HB3 MET A 17 -6.948 0.556 7.226 1.00 33.14 H new ATOM 0 HG2 MET A 17 -4.477 -0.059 7.328 1.00 54.23 H new ATOM 0 HG3 MET A 17 -4.234 0.957 5.921 1.00 54.23 H new ATOM 0 HE1 MET A 17 -4.906 4.564 7.243 1.00 43.31 H new ATOM 0 HE2 MET A 17 -4.133 3.603 5.960 1.00 43.31 H new ATOM 0 HE3 MET A 17 -5.890 3.490 6.220 1.00 43.31 H new ATOM 269 N ASP A 18 -6.810 -2.029 7.688 1.00 62.03 N ATOM 270 CA ASP A 18 -6.488 -2.864 8.833 1.00 15.23 C ATOM 271 C ASP A 18 -6.322 -4.334 8.455 1.00 0.14 C ATOM 272 O ASP A 18 -5.536 -5.042 9.084 1.00 43.43 O ATOM 273 CB ASP A 18 -7.608 -2.700 9.860 1.00 33.11 C ATOM 274 CG ASP A 18 -7.340 -3.528 11.109 1.00 3.31 C ATOM 275 OD1 ASP A 18 -6.566 -3.071 11.971 1.00 55.22 O ATOM 276 OD2 ASP A 18 -7.915 -4.633 11.238 1.00 14.21 O ATOM 0 H ASP A 18 -7.686 -1.519 7.805 1.00 62.03 H new ATOM 0 HA ASP A 18 -5.530 -2.546 9.245 1.00 15.23 H new ATOM 0 HB2 ASP A 18 -7.704 -1.649 10.132 1.00 33.11 H new ATOM 0 HB3 ASP A 18 -8.557 -3.003 9.417 1.00 33.11 H new ATOM 281 N SER A 19 -7.016 -4.778 7.406 1.00 43.33 N ATOM 282 CA SER A 19 -6.943 -6.152 6.936 1.00 0.14 C ATOM 283 C SER A 19 -5.581 -6.372 6.286 1.00 61.21 C ATOM 284 O SER A 19 -4.802 -7.223 6.704 1.00 0.54 O ATOM 285 CB SER A 19 -8.113 -6.448 5.989 1.00 61.23 C ATOM 286 OG SER A 19 -8.191 -5.586 4.857 1.00 64.04 O ATOM 0 H SER A 19 -7.645 -4.189 6.860 1.00 43.33 H new ATOM 0 HA SER A 19 -7.035 -6.852 7.766 1.00 0.14 H new ATOM 0 HB2 SER A 19 -8.030 -7.477 5.641 1.00 61.23 H new ATOM 0 HB3 SER A 19 -9.045 -6.375 6.550 1.00 61.23 H new ATOM 0 HG SER A 19 -8.959 -5.840 4.304 1.00 64.04 H new ATOM 292 N ILE A 20 -5.280 -5.539 5.290 1.00 22.05 N ATOM 293 CA ILE A 20 -4.017 -5.490 4.578 1.00 1.52 C ATOM 294 C ILE A 20 -2.884 -5.325 5.592 1.00 71.33 C ATOM 295 O ILE A 20 -1.880 -6.018 5.473 1.00 42.31 O ATOM 296 CB ILE A 20 -4.051 -4.355 3.527 1.00 64.23 C ATOM 297 CG1 ILE A 20 -5.292 -4.497 2.614 1.00 52.23 C ATOM 298 CG2 ILE A 20 -2.764 -4.343 2.684 1.00 51.42 C ATOM 299 CD1 ILE A 20 -5.307 -3.492 1.467 1.00 71.04 C ATOM 0 H ILE A 20 -5.948 -4.849 4.946 1.00 22.05 H new ATOM 0 HA ILE A 20 -3.843 -6.418 4.033 1.00 1.52 H new ATOM 0 HB ILE A 20 -4.116 -3.406 4.059 1.00 64.23 H new ATOM 0 HG12 ILE A 20 -5.322 -5.507 2.205 1.00 52.23 H new ATOM 0 HG13 ILE A 20 -6.193 -4.369 3.213 1.00 52.23 H new ATOM 0 HG21 ILE A 20 -2.815 -3.536 1.954 1.00 51.42 H new ATOM 0 HG22 ILE A 20 -1.904 -4.189 3.335 1.00 51.42 H new ATOM 0 HG23 ILE A 20 -2.660 -5.296 2.165 1.00 51.42 H new ATOM 0 HD11 ILE A 20 -6.202 -3.643 0.863 1.00 71.04 H new ATOM 0 HD12 ILE A 20 -5.308 -2.479 1.870 1.00 71.04 H new ATOM 0 HD13 ILE A 20 -4.422 -3.635 0.847 1.00 71.04 H new ATOM 311 N LEU A 21 -3.036 -4.468 6.605 1.00 42.22 N ATOM 312 CA LEU A 21 -1.963 -4.257 7.574 1.00 63.44 C ATOM 313 C LEU A 21 -1.589 -5.515 8.362 1.00 72.10 C ATOM 314 O LEU A 21 -0.468 -5.562 8.854 1.00 22.41 O ATOM 315 CB LEU A 21 -2.312 -3.122 8.555 1.00 35.11 C ATOM 316 CG LEU A 21 -1.969 -1.707 8.061 1.00 23.35 C ATOM 317 CD1 LEU A 21 -2.472 -0.682 9.086 1.00 60.30 C ATOM 318 CD2 LEU A 21 -0.458 -1.515 7.875 1.00 55.34 C ATOM 0 H LEU A 21 -3.878 -3.918 6.773 1.00 42.22 H new ATOM 0 HA LEU A 21 -1.092 -3.978 6.980 1.00 63.44 H new ATOM 0 HB2 LEU A 21 -3.379 -3.166 8.773 1.00 35.11 H new ATOM 0 HB3 LEU A 21 -1.788 -3.300 9.494 1.00 35.11 H new ATOM 0 HG LEU A 21 -2.452 -1.565 7.094 1.00 23.35 H new ATOM 0 HD11 LEU A 21 -2.232 0.324 8.742 1.00 60.30 H new ATOM 0 HD12 LEU A 21 -3.552 -0.779 9.198 1.00 60.30 H new ATOM 0 HD13 LEU A 21 -1.990 -0.862 10.047 1.00 60.30 H new ATOM 0 HD21 LEU A 21 -0.260 -0.502 7.525 1.00 55.34 H new ATOM 0 HD22 LEU A 21 0.049 -1.676 8.826 1.00 55.34 H new ATOM 0 HD23 LEU A 21 -0.088 -2.231 7.141 1.00 55.34 H new ATOM 330 N GLY A 22 -2.466 -6.522 8.462 1.00 40.41 N ATOM 331 CA GLY A 22 -2.173 -7.760 9.177 1.00 54.33 C ATOM 332 C GLY A 22 -2.083 -8.983 8.264 1.00 34.12 C ATOM 333 O GLY A 22 -2.072 -10.110 8.771 1.00 4.13 O ATOM 0 H GLY A 22 -3.398 -6.496 8.048 1.00 40.41 H new ATOM 0 HA2 GLY A 22 -1.231 -7.647 9.714 1.00 54.33 H new ATOM 0 HA3 GLY A 22 -2.947 -7.931 9.925 1.00 54.33 H new ATOM 337 N ALA A 23 -1.988 -8.791 6.945 1.00 42.11 N ATOM 338 CA ALA A 23 -1.923 -9.890 5.982 1.00 42.51 C ATOM 339 C ALA A 23 -1.020 -9.595 4.785 1.00 63.33 C ATOM 340 O ALA A 23 -0.517 -10.528 4.166 1.00 31.11 O ATOM 341 CB ALA A 23 -3.338 -10.247 5.538 1.00 33.35 C ATOM 0 H ALA A 23 -1.954 -7.866 6.516 1.00 42.11 H new ATOM 0 HA ALA A 23 -1.465 -10.744 6.482 1.00 42.51 H new ATOM 0 HB1 ALA A 23 -3.298 -11.066 4.820 1.00 33.35 H new ATOM 0 HB2 ALA A 23 -3.925 -10.552 6.404 1.00 33.35 H new ATOM 0 HB3 ALA A 23 -3.803 -9.378 5.072 1.00 33.35 H new ATOM 347 N LEU A 24 -0.749 -8.326 4.478 1.00 40.30 N ATOM 348 CA LEU A 24 0.286 -7.932 3.527 1.00 33.34 C ATOM 349 C LEU A 24 1.587 -7.643 4.282 1.00 34.23 C ATOM 350 O LEU A 24 2.499 -7.027 3.725 1.00 53.40 O ATOM 351 CB LEU A 24 -0.177 -6.683 2.766 1.00 32.41 C ATOM 352 CG LEU A 24 0.506 -6.502 1.393 1.00 33.12 C ATOM 353 CD1 LEU A 24 -0.275 -7.229 0.299 1.00 34.02 C ATOM 354 CD2 LEU A 24 0.589 -5.016 1.039 1.00 60.23 C ATOM 0 H LEU A 24 -1.248 -7.536 4.888 1.00 40.30 H new ATOM 0 HA LEU A 24 0.463 -8.738 2.814 1.00 33.34 H new ATOM 0 HB2 LEU A 24 -1.256 -6.737 2.621 1.00 32.41 H new ATOM 0 HB3 LEU A 24 0.019 -5.802 3.378 1.00 32.41 H new ATOM 0 HG LEU A 24 1.509 -6.924 1.458 1.00 33.12 H new ATOM 0 HD11 LEU A 24 0.224 -7.088 -0.660 1.00 34.02 H new ATOM 0 HD12 LEU A 24 -0.321 -8.293 0.531 1.00 34.02 H new ATOM 0 HD13 LEU A 24 -1.286 -6.825 0.244 1.00 34.02 H new ATOM 0 HD21 LEU A 24 1.072 -4.899 0.069 1.00 60.23 H new ATOM 0 HD22 LEU A 24 -0.416 -4.595 0.997 1.00 60.23 H new ATOM 0 HD23 LEU A 24 1.170 -4.493 1.799 1.00 60.23 H new ATOM 366 N ALA A 25 1.697 -8.055 5.552 1.00 71.41 N ATOM 367 CA ALA A 25 2.829 -7.723 6.401 1.00 35.13 C ATOM 368 C ALA A 25 3.597 -8.961 6.911 1.00 12.12 C ATOM 369 O ALA A 25 3.919 -9.029 8.096 1.00 43.51 O ATOM 370 CB ALA A 25 2.231 -6.935 7.568 1.00 34.41 C ATOM 0 H ALA A 25 0.994 -8.631 6.014 1.00 71.41 H new ATOM 0 HA ALA A 25 3.570 -7.155 5.839 1.00 35.13 H new ATOM 0 HB1 ALA A 25 3.025 -6.646 8.257 1.00 34.41 H new ATOM 0 HB2 ALA A 25 1.737 -6.041 7.188 1.00 34.41 H new ATOM 0 HB3 ALA A 25 1.504 -7.556 8.092 1.00 34.41 H new ATOM 376 N PRO A 26 4.033 -9.896 6.047 1.00 21.01 N ATOM 377 CA PRO A 26 5.019 -10.896 6.428 1.00 14.31 C ATOM 378 C PRO A 26 6.419 -10.282 6.539 1.00 71.22 C ATOM 379 O PRO A 26 7.211 -10.746 7.363 1.00 14.41 O ATOM 380 CB PRO A 26 4.942 -11.983 5.349 1.00 31.13 C ATOM 381 CG PRO A 26 4.395 -11.255 4.127 1.00 52.33 C ATOM 382 CD PRO A 26 3.496 -10.192 4.732 1.00 2.13 C ATOM 0 HA PRO A 26 4.814 -11.314 7.414 1.00 14.31 H new ATOM 0 HB2 PRO A 26 5.922 -12.417 5.149 1.00 31.13 H new ATOM 0 HB3 PRO A 26 4.288 -12.800 5.652 1.00 31.13 H new ATOM 0 HG2 PRO A 26 5.193 -10.815 3.529 1.00 52.33 H new ATOM 0 HG3 PRO A 26 3.840 -11.927 3.472 1.00 52.33 H new ATOM 0 HD2 PRO A 26 3.480 -9.297 4.109 1.00 2.13 H new ATOM 0 HD3 PRO A 26 2.468 -10.548 4.804 1.00 2.13 H new ATOM 390 N TYR A 27 6.752 -9.266 5.730 1.00 75.22 N ATOM 391 CA TYR A 27 8.125 -8.782 5.589 1.00 11.14 C ATOM 392 C TYR A 27 8.338 -7.417 6.220 1.00 72.34 C ATOM 393 O TYR A 27 9.421 -7.170 6.740 1.00 23.34 O ATOM 394 CB TYR A 27 8.505 -8.735 4.109 1.00 42.13 C ATOM 395 CG TYR A 27 8.519 -10.107 3.477 1.00 71.14 C ATOM 396 CD1 TYR A 27 9.517 -11.017 3.855 1.00 53.52 C ATOM 397 CD2 TYR A 27 7.499 -10.510 2.597 1.00 62.41 C ATOM 398 CE1 TYR A 27 9.456 -12.347 3.424 1.00 75.41 C ATOM 399 CE2 TYR A 27 7.419 -11.851 2.175 1.00 55.50 C ATOM 400 CZ TYR A 27 8.390 -12.780 2.605 1.00 0.24 C ATOM 401 OH TYR A 27 8.274 -14.092 2.272 1.00 31.02 O ATOM 0 H TYR A 27 6.076 -8.760 5.158 1.00 75.22 H new ATOM 0 HA TYR A 27 8.768 -9.482 6.123 1.00 11.14 H new ATOM 0 HB2 TYR A 27 7.799 -8.099 3.575 1.00 42.13 H new ATOM 0 HB3 TYR A 27 9.489 -8.279 4.003 1.00 42.13 H new ATOM 0 HD1 TYR A 27 10.335 -10.690 4.480 1.00 53.52 H new ATOM 0 HD2 TYR A 27 6.776 -9.790 2.244 1.00 62.41 H new ATOM 0 HE1 TYR A 27 10.226 -13.044 3.719 1.00 75.41 H new ATOM 0 HE2 TYR A 27 6.617 -12.167 1.524 1.00 55.50 H new ATOM 0 HH TYR A 27 7.485 -14.217 1.705 1.00 31.02 H new ATOM 411 N ALA A 28 7.343 -6.535 6.181 1.00 0.32 N ATOM 412 CA ALA A 28 7.400 -5.257 6.862 1.00 44.32 C ATOM 413 C ALA A 28 6.025 -4.978 7.433 1.00 43.32 C ATOM 414 O ALA A 28 5.007 -5.268 6.795 1.00 75.41 O ATOM 415 CB ALA A 28 7.832 -4.152 5.898 1.00 54.20 C ATOM 0 H ALA A 28 6.473 -6.693 5.672 1.00 0.32 H new ATOM 0 HA ALA A 28 8.137 -5.285 7.665 1.00 44.32 H new ATOM 0 HB1 ALA A 28 7.869 -3.200 6.428 1.00 54.20 H new ATOM 0 HB2 ALA A 28 8.819 -4.383 5.499 1.00 54.20 H new ATOM 0 HB3 ALA A 28 7.116 -4.083 5.079 1.00 54.20 H new ATOM 421 N VAL A 29 5.999 -4.402 8.624 1.00 13.24 N ATOM 422 CA VAL A 29 4.795 -4.153 9.381 1.00 71.24 C ATOM 423 C VAL A 29 4.691 -2.635 9.526 1.00 41.50 C ATOM 424 O VAL A 29 5.414 -2.013 10.308 1.00 0.35 O ATOM 425 CB VAL A 29 4.813 -4.963 10.695 1.00 64.03 C ATOM 426 CG1 VAL A 29 3.396 -4.965 11.257 1.00 44.20 C ATOM 427 CG2 VAL A 29 5.237 -6.436 10.529 1.00 1.21 C ATOM 0 H VAL A 29 6.844 -4.087 9.100 1.00 13.24 H new ATOM 0 HA VAL A 29 3.886 -4.499 8.888 1.00 71.24 H new ATOM 0 HB VAL A 29 5.547 -4.487 11.345 1.00 64.03 H new ATOM 0 HG11 VAL A 29 3.375 -5.531 12.188 1.00 44.20 H new ATOM 0 HG12 VAL A 29 3.079 -3.940 11.448 1.00 44.20 H new ATOM 0 HG13 VAL A 29 2.720 -5.426 10.537 1.00 44.20 H new ATOM 0 HG21 VAL A 29 5.222 -6.931 11.500 1.00 1.21 H new ATOM 0 HG22 VAL A 29 4.545 -6.940 9.854 1.00 1.21 H new ATOM 0 HG23 VAL A 29 6.244 -6.480 10.115 1.00 1.21 H new ATOM 437 N LEU A 30 3.877 -2.014 8.674 1.00 20.42 N ATOM 438 CA LEU A 30 3.607 -0.577 8.668 1.00 0.34 C ATOM 439 C LEU A 30 2.666 -0.214 9.821 1.00 53.51 C ATOM 440 O LEU A 30 2.170 -1.100 10.522 1.00 23.12 O ATOM 441 CB LEU A 30 2.931 -0.194 7.347 1.00 34.43 C ATOM 442 CG LEU A 30 3.667 -0.601 6.064 1.00 44.53 C ATOM 443 CD1 LEU A 30 2.667 -0.467 4.918 1.00 64.44 C ATOM 444 CD2 LEU A 30 4.920 0.244 5.827 1.00 4.51 C ATOM 0 H LEU A 30 3.370 -2.514 7.944 1.00 20.42 H new ATOM 0 HA LEU A 30 4.549 -0.040 8.782 1.00 0.34 H new ATOM 0 HB2 LEU A 30 1.938 -0.642 7.328 1.00 34.43 H new ATOM 0 HB3 LEU A 30 2.793 0.887 7.334 1.00 34.43 H new ATOM 0 HG LEU A 30 4.025 -1.628 6.142 1.00 44.53 H new ATOM 0 HD11 LEU A 30 3.148 -0.747 3.981 1.00 64.44 H new ATOM 0 HD12 LEU A 30 1.816 -1.123 5.099 1.00 64.44 H new ATOM 0 HD13 LEU A 30 2.323 0.565 4.855 1.00 64.44 H new ATOM 0 HD21 LEU A 30 5.409 -0.080 4.908 1.00 4.51 H new ATOM 0 HD22 LEU A 30 4.640 1.294 5.739 1.00 4.51 H new ATOM 0 HD23 LEU A 30 5.606 0.121 6.665 1.00 4.51 H new ATOM 456 N SER A 31 2.346 1.074 9.971 1.00 71.24 N ATOM 457 CA SER A 31 1.298 1.547 10.861 1.00 74.20 C ATOM 458 C SER A 31 0.275 2.398 10.100 1.00 11.53 C ATOM 459 O SER A 31 0.437 2.720 8.917 1.00 64.02 O ATOM 460 CB SER A 31 1.925 2.281 12.050 1.00 12.34 C ATOM 461 OG SER A 31 0.999 2.265 13.124 1.00 43.43 O ATOM 0 H SER A 31 2.819 1.824 9.467 1.00 71.24 H new ATOM 0 HA SER A 31 0.743 0.697 11.259 1.00 74.20 H new ATOM 0 HB2 SER A 31 2.857 1.798 12.345 1.00 12.34 H new ATOM 0 HB3 SER A 31 2.170 3.307 11.776 1.00 12.34 H new ATOM 0 HG SER A 31 1.385 2.730 13.896 1.00 43.43 H new ATOM 467 N SER A 32 -0.813 2.742 10.783 1.00 62.14 N ATOM 468 CA SER A 32 -1.998 3.353 10.208 1.00 42.21 C ATOM 469 C SER A 32 -1.767 4.784 9.725 1.00 24.41 C ATOM 470 O SER A 32 -2.497 5.233 8.843 1.00 64.30 O ATOM 471 CB SER A 32 -3.145 3.291 11.214 1.00 0.41 C ATOM 472 OG SER A 32 -3.452 1.943 11.512 1.00 2.25 O ATOM 0 H SER A 32 -0.892 2.596 11.789 1.00 62.14 H new ATOM 0 HA SER A 32 -2.258 2.780 9.318 1.00 42.21 H new ATOM 0 HB2 SER A 32 -2.869 3.820 12.126 1.00 0.41 H new ATOM 0 HB3 SER A 32 -4.024 3.792 10.808 1.00 0.41 H new ATOM 0 HG SER A 32 -4.187 1.910 12.159 1.00 2.25 H new ATOM 478 N SER A 33 -0.783 5.512 10.261 1.00 32.15 N ATOM 479 CA SER A 33 -0.410 6.814 9.726 1.00 73.13 C ATOM 480 C SER A 33 0.490 6.653 8.495 1.00 51.34 C ATOM 481 O SER A 33 0.510 7.546 7.644 1.00 41.13 O ATOM 482 CB SER A 33 0.251 7.657 10.824 1.00 43.13 C ATOM 483 OG SER A 33 0.527 8.977 10.373 1.00 24.03 O ATOM 0 H SER A 33 -0.232 5.216 11.067 1.00 32.15 H new ATOM 0 HA SER A 33 -1.305 7.342 9.397 1.00 73.13 H new ATOM 0 HB2 SER A 33 -0.403 7.698 11.695 1.00 43.13 H new ATOM 0 HB3 SER A 33 1.177 7.179 11.143 1.00 43.13 H new ATOM 0 HG SER A 33 0.946 9.489 11.096 1.00 24.03 H new ATOM 489 N ASN A 34 1.228 5.545 8.364 1.00 31.31 N ATOM 490 CA ASN A 34 2.031 5.314 7.167 1.00 43.40 C ATOM 491 C ASN A 34 1.103 5.038 6.002 1.00 34.23 C ATOM 492 O ASN A 34 1.289 5.589 4.921 1.00 54.31 O ATOM 493 CB ASN A 34 3.006 4.140 7.328 1.00 14.11 C ATOM 494 CG ASN A 34 3.894 4.340 8.532 1.00 11.35 C ATOM 495 OD1 ASN A 34 3.692 3.705 9.561 1.00 11.42 O ATOM 496 ND2 ASN A 34 4.830 5.265 8.444 1.00 52.20 N ATOM 0 H ASN A 34 1.283 4.805 9.064 1.00 31.31 H new ATOM 0 HA ASN A 34 2.629 6.208 6.990 1.00 43.40 H new ATOM 0 HB2 ASN A 34 2.448 3.210 7.433 1.00 14.11 H new ATOM 0 HB3 ASN A 34 3.618 4.045 6.431 1.00 14.11 H new ATOM 0 HD21 ASN A 34 5.418 5.474 9.251 1.00 52.20 H new ATOM 0 HD22 ASN A 34 4.966 5.771 7.569 1.00 52.20 H new ATOM 503 N VAL A 35 0.131 4.149 6.201 1.00 51.14 N ATOM 504 CA VAL A 35 -0.780 3.768 5.141 1.00 60.34 C ATOM 505 C VAL A 35 -1.799 4.883 4.899 1.00 43.53 C ATOM 506 O VAL A 35 -2.319 5.496 5.827 1.00 62.10 O ATOM 507 CB VAL A 35 -1.421 2.403 5.453 1.00 55.22 C ATOM 508 CG1 VAL A 35 -2.304 1.941 4.285 1.00 23.34 C ATOM 509 CG2 VAL A 35 -0.346 1.322 5.625 1.00 14.23 C ATOM 0 H VAL A 35 -0.040 3.682 7.092 1.00 51.14 H new ATOM 0 HA VAL A 35 -0.234 3.641 4.206 1.00 60.34 H new ATOM 0 HB VAL A 35 -2.002 2.531 6.366 1.00 55.22 H new ATOM 0 HG11 VAL A 35 -2.748 0.975 4.525 1.00 23.34 H new ATOM 0 HG12 VAL A 35 -3.095 2.672 4.116 1.00 23.34 H new ATOM 0 HG13 VAL A 35 -1.697 1.848 3.385 1.00 23.34 H new ATOM 0 HG21 VAL A 35 -0.823 0.367 5.845 1.00 14.23 H new ATOM 0 HG22 VAL A 35 0.233 1.236 4.706 1.00 14.23 H new ATOM 0 HG23 VAL A 35 0.316 1.595 6.447 1.00 14.23 H new ATOM 519 N ARG A 36 -2.181 5.095 3.640 1.00 23.45 N ATOM 520 CA ARG A 36 -3.308 5.941 3.261 1.00 41.32 C ATOM 521 C ARG A 36 -4.181 5.122 2.320 1.00 55.51 C ATOM 522 O ARG A 36 -3.752 4.792 1.217 1.00 34.12 O ATOM 523 CB ARG A 36 -2.785 7.274 2.673 1.00 33.13 C ATOM 524 CG ARG A 36 -2.879 8.437 3.677 1.00 71.33 C ATOM 525 CD ARG A 36 -4.260 9.110 3.644 1.00 60.10 C ATOM 526 NE ARG A 36 -4.292 10.252 2.713 1.00 63.44 N ATOM 527 CZ ARG A 36 -5.379 10.959 2.372 1.00 63.03 C ATOM 528 NH1 ARG A 36 -6.590 10.611 2.799 1.00 22.32 N ATOM 529 NH2 ARG A 36 -5.239 12.015 1.583 1.00 41.34 N ATOM 0 H ARG A 36 -1.706 4.675 2.841 1.00 23.45 H new ATOM 0 HA ARG A 36 -3.925 6.236 4.110 1.00 41.32 H new ATOM 0 HB2 ARG A 36 -1.748 7.149 2.363 1.00 33.13 H new ATOM 0 HB3 ARG A 36 -3.357 7.523 1.779 1.00 33.13 H new ATOM 0 HG2 ARG A 36 -2.679 8.066 4.682 1.00 71.33 H new ATOM 0 HG3 ARG A 36 -2.110 9.175 3.451 1.00 71.33 H new ATOM 0 HD2 ARG A 36 -5.013 8.379 3.349 1.00 60.10 H new ATOM 0 HD3 ARG A 36 -4.522 9.451 4.646 1.00 60.10 H new ATOM 0 HE ARG A 36 -3.407 10.530 2.290 1.00 63.44 H new ATOM 0 HH11 ARG A 36 -6.704 9.793 3.397 1.00 22.32 H new ATOM 0 HH12 ARG A 36 -7.404 11.162 2.528 1.00 22.32 H new ATOM 0 HH21 ARG A 36 -4.314 12.279 1.244 1.00 41.34 H new ATOM 0 HH22 ARG A 36 -6.056 12.563 1.315 1.00 41.34 H new ATOM 543 N VAL A 37 -5.384 4.766 2.763 1.00 35.01 N ATOM 544 CA VAL A 37 -6.444 4.168 1.959 1.00 71.14 C ATOM 545 C VAL A 37 -7.512 5.254 1.852 1.00 35.03 C ATOM 546 O VAL A 37 -8.227 5.517 2.820 1.00 71.00 O ATOM 547 CB VAL A 37 -6.972 2.858 2.596 1.00 0.33 C ATOM 548 CG1 VAL A 37 -8.002 2.163 1.694 1.00 33.05 C ATOM 549 CG2 VAL A 37 -5.843 1.855 2.872 1.00 74.02 C ATOM 0 H VAL A 37 -5.658 4.893 3.737 1.00 35.01 H new ATOM 0 HA VAL A 37 -6.097 3.863 0.972 1.00 71.14 H new ATOM 0 HB VAL A 37 -7.437 3.157 3.535 1.00 0.33 H new ATOM 0 HG11 VAL A 37 -8.349 1.248 2.175 1.00 33.05 H new ATOM 0 HG12 VAL A 37 -8.849 2.829 1.528 1.00 33.05 H new ATOM 0 HG13 VAL A 37 -7.541 1.917 0.737 1.00 33.05 H new ATOM 0 HG21 VAL A 37 -6.260 0.952 3.318 1.00 74.02 H new ATOM 0 HG22 VAL A 37 -5.345 1.601 1.936 1.00 74.02 H new ATOM 0 HG23 VAL A 37 -5.121 2.299 3.558 1.00 74.02 H new ATOM 559 N ILE A 38 -7.561 5.969 0.730 1.00 42.52 N ATOM 560 CA ILE A 38 -8.579 6.992 0.512 1.00 42.11 C ATOM 561 C ILE A 38 -9.886 6.245 0.221 1.00 52.20 C ATOM 562 O ILE A 38 -9.905 5.360 -0.642 1.00 60.34 O ATOM 563 CB ILE A 38 -8.163 7.952 -0.630 1.00 33.31 C ATOM 564 CG1 ILE A 38 -6.774 8.584 -0.373 1.00 35.14 C ATOM 565 CG2 ILE A 38 -9.227 9.054 -0.796 1.00 42.14 C ATOM 566 CD1 ILE A 38 -6.302 9.518 -1.496 1.00 31.34 C ATOM 0 H ILE A 38 -6.905 5.858 -0.043 1.00 42.52 H new ATOM 0 HA ILE A 38 -8.707 7.631 1.386 1.00 42.11 H new ATOM 0 HB ILE A 38 -8.092 7.370 -1.549 1.00 33.31 H new ATOM 0 HG12 ILE A 38 -6.807 9.143 0.562 1.00 35.14 H new ATOM 0 HG13 ILE A 38 -6.041 7.788 -0.243 1.00 35.14 H new ATOM 0 HG21 ILE A 38 -8.931 9.727 -1.600 1.00 42.14 H new ATOM 0 HG22 ILE A 38 -10.187 8.599 -1.039 1.00 42.14 H new ATOM 0 HG23 ILE A 38 -9.317 9.616 0.133 1.00 42.14 H new ATOM 0 HD11 ILE A 38 -5.322 9.923 -1.245 1.00 31.34 H new ATOM 0 HD12 ILE A 38 -6.236 8.960 -2.430 1.00 31.34 H new ATOM 0 HD13 ILE A 38 -7.013 10.336 -1.612 1.00 31.34 H new ATOM 578 N LYS A 39 -10.964 6.579 0.938 1.00 44.44 N ATOM 579 CA LYS A 39 -12.299 6.060 0.659 1.00 44.14 C ATOM 580 C LYS A 39 -13.015 6.963 -0.339 1.00 15.25 C ATOM 581 O LYS A 39 -12.704 8.156 -0.445 1.00 63.32 O ATOM 582 CB LYS A 39 -13.078 5.864 1.971 1.00 42.12 C ATOM 583 CG LYS A 39 -12.431 4.765 2.837 1.00 73.13 C ATOM 584 CD LYS A 39 -12.964 4.766 4.273 1.00 14.25 C ATOM 585 CE LYS A 39 -12.231 3.681 5.071 1.00 51.21 C ATOM 586 NZ LYS A 39 -12.566 3.679 6.510 1.00 14.52 N ATOM 0 H LYS A 39 -10.931 7.220 1.731 1.00 44.44 H new ATOM 0 HA LYS A 39 -12.226 5.077 0.193 1.00 44.14 H new ATOM 0 HB2 LYS A 39 -13.104 6.802 2.526 1.00 42.12 H new ATOM 0 HB3 LYS A 39 -14.111 5.596 1.749 1.00 42.12 H new ATOM 0 HG2 LYS A 39 -12.618 3.792 2.383 1.00 73.13 H new ATOM 0 HG3 LYS A 39 -11.350 4.907 2.853 1.00 73.13 H new ATOM 0 HD2 LYS A 39 -12.809 5.742 4.733 1.00 14.25 H new ATOM 0 HD3 LYS A 39 -14.038 4.578 4.278 1.00 14.25 H new ATOM 0 HE2 LYS A 39 -12.472 2.705 4.649 1.00 51.21 H new ATOM 0 HE3 LYS A 39 -11.156 3.821 4.957 1.00 51.21 H new ATOM 0 HZ1 LYS A 39 -12.037 2.922 6.989 1.00 14.52 H new ATOM 0 HZ2 LYS A 39 -12.311 4.597 6.927 1.00 14.52 H new ATOM 0 HZ3 LYS A 39 -13.586 3.516 6.629 1.00 14.52 H new ATOM 600 N ASP A 40 -13.983 6.405 -1.064 1.00 44.23 N ATOM 601 CA ASP A 40 -14.857 7.114 -1.993 1.00 54.53 C ATOM 602 C ASP A 40 -15.945 7.904 -1.259 1.00 34.02 C ATOM 603 O ASP A 40 -16.353 8.973 -1.705 1.00 11.44 O ATOM 604 CB ASP A 40 -15.479 6.129 -2.994 1.00 43.44 C ATOM 605 CG ASP A 40 -15.204 6.638 -4.409 1.00 23.44 C ATOM 606 OD1 ASP A 40 -14.259 6.120 -5.049 1.00 20.24 O ATOM 607 OD2 ASP A 40 -15.794 7.654 -4.823 1.00 53.42 O ATOM 0 H ASP A 40 -14.187 5.407 -1.017 1.00 44.23 H new ATOM 0 HA ASP A 40 -14.249 7.834 -2.540 1.00 54.53 H new ATOM 0 HB2 ASP A 40 -15.055 5.134 -2.860 1.00 43.44 H new ATOM 0 HB3 ASP A 40 -16.552 6.043 -2.824 1.00 43.44 H new ATOM 612 N LYS A 41 -16.374 7.423 -0.082 1.00 75.11 N ATOM 613 CA LYS A 41 -17.149 8.143 0.955 1.00 35.11 C ATOM 614 C LYS A 41 -18.609 8.366 0.590 1.00 11.55 C ATOM 615 O LYS A 41 -19.437 8.513 1.486 1.00 15.23 O ATOM 616 CB LYS A 41 -16.535 9.505 1.345 1.00 11.21 C ATOM 617 CG LYS A 41 -15.018 9.477 1.572 1.00 13.43 C ATOM 618 CD LYS A 41 -14.497 10.830 2.064 1.00 24.12 C ATOM 619 CE LYS A 41 -13.006 10.798 2.408 1.00 11.33 C ATOM 620 NZ LYS A 41 -12.122 10.537 1.252 1.00 4.33 N ATOM 0 H LYS A 41 -16.180 6.460 0.194 1.00 75.11 H new ATOM 0 HA LYS A 41 -17.101 7.468 1.810 1.00 35.11 H new ATOM 0 HB2 LYS A 41 -16.759 10.228 0.561 1.00 11.21 H new ATOM 0 HB3 LYS A 41 -17.019 9.861 2.254 1.00 11.21 H new ATOM 0 HG2 LYS A 41 -14.773 8.705 2.301 1.00 13.43 H new ATOM 0 HG3 LYS A 41 -14.515 9.209 0.643 1.00 13.43 H new ATOM 0 HD2 LYS A 41 -14.673 11.584 1.296 1.00 24.12 H new ATOM 0 HD3 LYS A 41 -15.063 11.134 2.945 1.00 24.12 H new ATOM 0 HE2 LYS A 41 -12.728 11.752 2.856 1.00 11.33 H new ATOM 0 HE3 LYS A 41 -12.835 10.030 3.162 1.00 11.33 H new ATOM 0 HZ1 LYS A 41 -11.142 10.430 1.582 1.00 4.33 H new ATOM 0 HZ2 LYS A 41 -12.424 9.664 0.774 1.00 4.33 H new ATOM 0 HZ3 LYS A 41 -12.178 11.333 0.585 1.00 4.33 H new ATOM 634 N GLN A 42 -18.953 8.313 -0.690 1.00 62.21 N ATOM 635 CA GLN A 42 -20.309 8.041 -1.110 1.00 32.04 C ATOM 636 C GLN A 42 -20.629 6.594 -0.745 1.00 52.33 C ATOM 637 O GLN A 42 -21.412 6.364 0.172 1.00 11.12 O ATOM 638 CB GLN A 42 -20.485 8.392 -2.588 1.00 62.31 C ATOM 639 CG GLN A 42 -21.220 9.728 -2.768 1.00 0.23 C ATOM 640 CD GLN A 42 -20.455 10.941 -2.236 1.00 62.40 C ATOM 641 OE1 GLN A 42 -19.807 11.657 -2.991 1.00 24.03 O ATOM 642 NE2 GLN A 42 -20.579 11.280 -0.961 1.00 34.01 N ATOM 0 H GLN A 42 -18.298 8.458 -1.459 1.00 62.21 H new ATOM 0 HA GLN A 42 -21.035 8.669 -0.593 1.00 32.04 H new ATOM 0 HB2 GLN A 42 -19.508 8.446 -3.069 1.00 62.31 H new ATOM 0 HB3 GLN A 42 -21.042 7.599 -3.087 1.00 62.31 H new ATOM 0 HG2 GLN A 42 -21.424 9.878 -3.828 1.00 0.23 H new ATOM 0 HG3 GLN A 42 -22.184 9.670 -2.263 1.00 0.23 H new ATOM 0 HE21 GLN A 42 -21.117 10.690 -0.326 1.00 34.01 H new ATOM 0 HE22 GLN A 42 -20.137 12.131 -0.614 1.00 34.01 H new ATOM 651 N THR A 43 -19.969 5.613 -1.358 1.00 54.42 N ATOM 652 CA THR A 43 -20.324 4.204 -1.179 1.00 43.32 C ATOM 653 C THR A 43 -19.531 3.548 -0.041 1.00 34.41 C ATOM 654 O THR A 43 -19.561 2.331 0.132 1.00 33.23 O ATOM 655 CB THR A 43 -20.052 3.516 -2.528 1.00 42.22 C ATOM 656 OG1 THR A 43 -18.719 3.767 -2.947 1.00 64.13 O ATOM 657 CG2 THR A 43 -20.969 4.104 -3.598 1.00 63.20 C ATOM 0 H THR A 43 -19.181 5.768 -1.987 1.00 54.42 H new ATOM 0 HA THR A 43 -21.371 4.106 -0.891 1.00 43.32 H new ATOM 0 HB THR A 43 -20.223 2.447 -2.402 1.00 42.22 H new ATOM 0 HG1 THR A 43 -18.557 3.323 -3.805 1.00 64.13 H new ATOM 0 HG21 THR A 43 -20.774 3.615 -4.553 1.00 63.20 H new ATOM 0 HG22 THR A 43 -22.009 3.944 -3.314 1.00 63.20 H new ATOM 0 HG23 THR A 43 -20.779 5.173 -3.693 1.00 63.20 H new ATOM 665 N GLN A 44 -18.853 4.354 0.781 1.00 51.53 N ATOM 666 CA GLN A 44 -17.899 3.979 1.823 1.00 61.00 C ATOM 667 C GLN A 44 -16.681 3.176 1.352 1.00 51.11 C ATOM 668 O GLN A 44 -15.745 3.019 2.136 1.00 32.02 O ATOM 669 CB GLN A 44 -18.579 3.337 3.050 1.00 15.25 C ATOM 670 CG GLN A 44 -19.800 4.112 3.567 1.00 22.15 C ATOM 671 CD GLN A 44 -19.546 5.613 3.643 1.00 42.42 C ATOM 672 OE1 GLN A 44 -18.536 6.079 4.167 1.00 20.42 O ATOM 673 NE2 GLN A 44 -20.403 6.414 3.044 1.00 22.24 N ATOM 0 H GLN A 44 -18.968 5.366 0.729 1.00 51.53 H new ATOM 0 HA GLN A 44 -17.481 4.935 2.138 1.00 61.00 H new ATOM 0 HB2 GLN A 44 -18.888 2.324 2.792 1.00 15.25 H new ATOM 0 HB3 GLN A 44 -17.848 3.253 3.854 1.00 15.25 H new ATOM 0 HG2 GLN A 44 -20.651 3.923 2.912 1.00 22.15 H new ATOM 0 HG3 GLN A 44 -20.070 3.741 4.556 1.00 22.15 H new ATOM 0 HE21 GLN A 44 -21.242 6.030 2.609 1.00 22.24 H new ATOM 0 HE22 GLN A 44 -20.228 7.418 3.016 1.00 22.24 H new ATOM 682 N LEU A 45 -16.694 2.638 0.130 1.00 0.21 N ATOM 683 CA LEU A 45 -15.637 1.809 -0.436 1.00 61.33 C ATOM 684 C LEU A 45 -14.313 2.565 -0.485 1.00 55.13 C ATOM 685 O LEU A 45 -14.287 3.787 -0.338 1.00 40.12 O ATOM 686 CB LEU A 45 -16.007 1.377 -1.866 1.00 63.43 C ATOM 687 CG LEU A 45 -17.357 0.658 -1.998 1.00 54.52 C ATOM 688 CD1 LEU A 45 -17.643 0.382 -3.473 1.00 41.33 C ATOM 689 CD2 LEU A 45 -17.406 -0.610 -1.141 1.00 43.41 C ATOM 0 H LEU A 45 -17.473 2.776 -0.514 1.00 0.21 H new ATOM 0 HA LEU A 45 -15.528 0.934 0.204 1.00 61.33 H new ATOM 0 HB2 LEU A 45 -16.019 2.260 -2.505 1.00 63.43 H new ATOM 0 HB3 LEU A 45 -15.224 0.720 -2.245 1.00 63.43 H new ATOM 0 HG LEU A 45 -18.147 1.305 -1.615 1.00 54.52 H new ATOM 0 HD11 LEU A 45 -18.601 -0.129 -3.568 1.00 41.33 H new ATOM 0 HD12 LEU A 45 -17.678 1.325 -4.019 1.00 41.33 H new ATOM 0 HD13 LEU A 45 -16.854 -0.247 -3.885 1.00 41.33 H new ATOM 0 HD21 LEU A 45 -18.376 -1.092 -1.260 1.00 43.41 H new ATOM 0 HD22 LEU A 45 -16.619 -1.294 -1.459 1.00 43.41 H new ATOM 0 HD23 LEU A 45 -17.257 -0.347 -0.094 1.00 43.41 H new ATOM 701 N ASN A 46 -13.220 1.857 -0.766 1.00 55.22 N ATOM 702 CA ASN A 46 -11.939 2.489 -1.070 1.00 13.14 C ATOM 703 C ASN A 46 -11.975 3.088 -2.481 1.00 4.43 C ATOM 704 O ASN A 46 -12.954 2.927 -3.208 1.00 44.34 O ATOM 705 CB ASN A 46 -10.755 1.527 -0.960 1.00 20.43 C ATOM 706 CG ASN A 46 -10.785 0.590 0.218 1.00 40.50 C ATOM 707 OD1 ASN A 46 -10.967 0.992 1.363 1.00 20.11 O ATOM 708 ND2 ASN A 46 -10.561 -0.681 -0.033 1.00 40.22 N ATOM 0 H ASN A 46 -13.198 0.838 -0.789 1.00 55.22 H new ATOM 0 HA ASN A 46 -11.792 3.270 -0.325 1.00 13.14 H new ATOM 0 HB2 ASN A 46 -10.707 0.933 -1.873 1.00 20.43 H new ATOM 0 HB3 ASN A 46 -9.837 2.113 -0.912 1.00 20.43 H new ATOM 0 HD21 ASN A 46 -10.536 -1.355 0.732 1.00 40.22 H new ATOM 0 HD22 ASN A 46 -10.412 -0.993 -0.993 1.00 40.22 H new ATOM 715 N ARG A 47 -10.880 3.722 -2.913 1.00 24.05 N ATOM 716 CA ARG A 47 -10.687 4.160 -4.304 1.00 0.21 C ATOM 717 C ARG A 47 -10.021 3.103 -5.197 1.00 54.32 C ATOM 718 O ARG A 47 -9.971 3.283 -6.415 1.00 52.44 O ATOM 719 CB ARG A 47 -9.874 5.456 -4.343 1.00 54.42 C ATOM 720 CG ARG A 47 -10.521 6.606 -3.559 1.00 13.44 C ATOM 721 CD ARG A 47 -10.731 7.835 -4.434 1.00 20.13 C ATOM 722 NE ARG A 47 -11.928 7.696 -5.266 1.00 60.11 N ATOM 723 CZ ARG A 47 -12.401 8.594 -6.130 1.00 11.25 C ATOM 724 NH1 ARG A 47 -11.717 9.694 -6.432 1.00 3.45 N ATOM 725 NH2 ARG A 47 -13.587 8.358 -6.661 1.00 62.24 N ATOM 0 H ARG A 47 -10.094 3.949 -2.303 1.00 24.05 H new ATOM 0 HA ARG A 47 -11.685 4.327 -4.709 1.00 0.21 H new ATOM 0 HB2 ARG A 47 -8.880 5.265 -3.939 1.00 54.42 H new ATOM 0 HB3 ARG A 47 -9.743 5.762 -5.381 1.00 54.42 H new ATOM 0 HG2 ARG A 47 -11.479 6.278 -3.156 1.00 13.44 H new ATOM 0 HG3 ARG A 47 -9.890 6.867 -2.709 1.00 13.44 H new ATOM 0 HD2 ARG A 47 -10.823 8.721 -3.805 1.00 20.13 H new ATOM 0 HD3 ARG A 47 -9.859 7.985 -5.070 1.00 20.13 H new ATOM 0 HE ARG A 47 -12.452 6.826 -5.175 1.00 60.11 H new ATOM 0 HH11 ARG A 47 -10.809 9.865 -5.999 1.00 3.45 H new ATOM 0 HH12 ARG A 47 -12.100 10.366 -7.096 1.00 3.45 H new ATOM 0 HH21 ARG A 47 -14.102 7.516 -6.405 1.00 62.24 H new ATOM 0 HH22 ARG A 47 -13.988 9.018 -7.327 1.00 62.24 H new ATOM 739 N GLY A 48 -9.439 2.061 -4.601 1.00 53.12 N ATOM 740 CA GLY A 48 -8.854 0.917 -5.292 1.00 14.22 C ATOM 741 C GLY A 48 -7.338 1.013 -5.491 1.00 52.14 C ATOM 742 O GLY A 48 -6.722 0.150 -6.120 1.00 2.44 O ATOM 0 H GLY A 48 -9.361 1.991 -3.586 1.00 53.12 H new ATOM 0 HA2 GLY A 48 -9.079 0.012 -4.728 1.00 14.22 H new ATOM 0 HA3 GLY A 48 -9.331 0.812 -6.266 1.00 14.22 H new ATOM 746 N PHE A 49 -6.703 1.960 -4.805 1.00 52.44 N ATOM 747 CA PHE A 49 -5.265 2.140 -4.663 1.00 22.12 C ATOM 748 C PHE A 49 -5.012 2.606 -3.228 1.00 41.32 C ATOM 749 O PHE A 49 -5.943 3.031 -2.533 1.00 14.34 O ATOM 750 CB PHE A 49 -4.727 3.117 -5.718 1.00 11.52 C ATOM 751 CG PHE A 49 -5.479 4.423 -5.778 1.00 15.15 C ATOM 752 CD1 PHE A 49 -6.619 4.527 -6.591 1.00 62.44 C ATOM 753 CD2 PHE A 49 -5.081 5.500 -4.970 1.00 2.44 C ATOM 754 CE1 PHE A 49 -7.364 5.715 -6.594 1.00 62.24 C ATOM 755 CE2 PHE A 49 -5.848 6.679 -4.954 1.00 34.42 C ATOM 756 CZ PHE A 49 -6.987 6.787 -5.768 1.00 75.24 C ATOM 0 H PHE A 49 -7.223 2.675 -4.296 1.00 52.44 H new ATOM 0 HA PHE A 49 -4.727 1.208 -4.838 1.00 22.12 H new ATOM 0 HB2 PHE A 49 -3.677 3.322 -5.508 1.00 11.52 H new ATOM 0 HB3 PHE A 49 -4.769 2.639 -6.697 1.00 11.52 H new ATOM 0 HD1 PHE A 49 -6.921 3.696 -7.211 1.00 62.44 H new ATOM 0 HD2 PHE A 49 -4.190 5.424 -4.364 1.00 2.44 H new ATOM 0 HE1 PHE A 49 -8.230 5.806 -7.233 1.00 62.24 H new ATOM 0 HE2 PHE A 49 -5.561 7.501 -4.315 1.00 34.42 H new ATOM 0 HZ PHE A 49 -7.573 7.694 -5.759 1.00 75.24 H new ATOM 766 N ALA A 50 -3.783 2.490 -2.744 1.00 64.42 N ATOM 767 CA ALA A 50 -3.385 2.935 -1.414 1.00 75.43 C ATOM 768 C ALA A 50 -1.969 3.493 -1.494 1.00 75.23 C ATOM 769 O ALA A 50 -1.341 3.423 -2.546 1.00 73.22 O ATOM 770 CB ALA A 50 -3.503 1.782 -0.404 1.00 60.24 C ATOM 0 H ALA A 50 -3.018 2.075 -3.276 1.00 64.42 H new ATOM 0 HA ALA A 50 -4.049 3.724 -1.061 1.00 75.43 H new ATOM 0 HB1 ALA A 50 -3.202 2.131 0.584 1.00 60.24 H new ATOM 0 HB2 ALA A 50 -4.536 1.435 -0.367 1.00 60.24 H new ATOM 0 HB3 ALA A 50 -2.855 0.961 -0.711 1.00 60.24 H new ATOM 776 N PHE A 51 -1.466 4.040 -0.396 1.00 4.12 N ATOM 777 CA PHE A 51 -0.179 4.695 -0.303 1.00 42.43 C ATOM 778 C PHE A 51 0.490 4.248 0.990 1.00 54.44 C ATOM 779 O PHE A 51 -0.179 3.716 1.883 1.00 62.32 O ATOM 780 CB PHE A 51 -0.377 6.215 -0.292 1.00 35.31 C ATOM 781 CG PHE A 51 -1.212 6.785 -1.416 1.00 44.51 C ATOM 782 CD1 PHE A 51 -2.607 6.896 -1.279 1.00 53.14 C ATOM 783 CD2 PHE A 51 -0.589 7.227 -2.594 1.00 14.33 C ATOM 784 CE1 PHE A 51 -3.377 7.434 -2.321 1.00 73.21 C ATOM 785 CE2 PHE A 51 -1.360 7.741 -3.647 1.00 11.14 C ATOM 786 CZ PHE A 51 -2.754 7.852 -3.511 1.00 1.43 C ATOM 0 H PHE A 51 -1.970 4.036 0.491 1.00 4.12 H new ATOM 0 HA PHE A 51 0.445 4.430 -1.156 1.00 42.43 H new ATOM 0 HB2 PHE A 51 -0.840 6.494 0.655 1.00 35.31 H new ATOM 0 HB3 PHE A 51 0.604 6.689 -0.319 1.00 35.31 H new ATOM 0 HD1 PHE A 51 -3.087 6.566 -0.369 1.00 53.14 H new ATOM 0 HD2 PHE A 51 0.485 7.171 -2.690 1.00 14.33 H new ATOM 0 HE1 PHE A 51 -4.447 7.527 -2.210 1.00 73.21 H new ATOM 0 HE2 PHE A 51 -0.881 8.052 -4.564 1.00 11.14 H new ATOM 0 HZ PHE A 51 -3.346 8.257 -4.318 1.00 1.43 H new ATOM 796 N ILE A 52 1.787 4.494 1.084 1.00 42.44 N ATOM 797 CA ILE A 52 2.668 4.274 2.221 1.00 41.41 C ATOM 798 C ILE A 52 3.568 5.509 2.299 1.00 1.22 C ATOM 799 O ILE A 52 4.181 5.884 1.295 1.00 51.11 O ATOM 800 CB ILE A 52 3.491 2.981 2.035 1.00 20.15 C ATOM 801 CG1 ILE A 52 2.594 1.743 1.790 1.00 2.12 C ATOM 802 CG2 ILE A 52 4.435 2.763 3.226 1.00 40.54 C ATOM 803 CD1 ILE A 52 3.340 0.426 1.531 1.00 1.33 C ATOM 0 H ILE A 52 2.297 4.889 0.294 1.00 42.44 H new ATOM 0 HA ILE A 52 2.107 4.143 3.146 1.00 41.41 H new ATOM 0 HB ILE A 52 4.096 3.108 1.137 1.00 20.15 H new ATOM 0 HG12 ILE A 52 1.946 1.609 2.656 1.00 2.12 H new ATOM 0 HG13 ILE A 52 1.947 1.948 0.937 1.00 2.12 H new ATOM 0 HG21 ILE A 52 5.006 1.847 3.075 1.00 40.54 H new ATOM 0 HG22 ILE A 52 5.119 3.607 3.307 1.00 40.54 H new ATOM 0 HG23 ILE A 52 3.851 2.680 4.143 1.00 40.54 H new ATOM 0 HD11 ILE A 52 2.619 -0.376 1.372 1.00 1.33 H new ATOM 0 HD12 ILE A 52 3.967 0.531 0.645 1.00 1.33 H new ATOM 0 HD13 ILE A 52 3.965 0.187 2.391 1.00 1.33 H new ATOM 815 N GLN A 53 3.615 6.169 3.457 1.00 54.33 N ATOM 816 CA GLN A 53 4.413 7.354 3.720 1.00 11.34 C ATOM 817 C GLN A 53 5.425 6.977 4.809 1.00 74.24 C ATOM 818 O GLN A 53 5.075 6.925 5.995 1.00 55.40 O ATOM 819 CB GLN A 53 3.514 8.532 4.169 1.00 15.35 C ATOM 820 CG GLN A 53 2.964 9.463 3.078 1.00 51.34 C ATOM 821 CD GLN A 53 1.820 8.887 2.258 1.00 44.34 C ATOM 822 OE1 GLN A 53 0.654 9.253 2.383 1.00 11.41 O ATOM 823 NE2 GLN A 53 2.134 8.007 1.336 1.00 62.10 N ATOM 0 H GLN A 53 3.072 5.874 4.269 1.00 54.33 H new ATOM 0 HA GLN A 53 4.930 7.685 2.819 1.00 11.34 H new ATOM 0 HB2 GLN A 53 2.667 8.118 4.716 1.00 15.35 H new ATOM 0 HB3 GLN A 53 4.083 9.139 4.873 1.00 15.35 H new ATOM 0 HG2 GLN A 53 2.626 10.387 3.547 1.00 51.34 H new ATOM 0 HG3 GLN A 53 3.778 9.727 2.403 1.00 51.34 H new ATOM 0 HE21 GLN A 53 3.102 7.702 1.231 1.00 62.10 H new ATOM 0 HE22 GLN A 53 1.410 7.628 0.725 1.00 62.10 H new ATOM 832 N LEU A 54 6.670 6.701 4.420 1.00 31.31 N ATOM 833 CA LEU A 54 7.754 6.250 5.296 1.00 72.13 C ATOM 834 C LEU A 54 8.894 7.277 5.279 1.00 75.24 C ATOM 835 O LEU A 54 8.760 8.364 4.709 1.00 73.42 O ATOM 836 CB LEU A 54 8.214 4.841 4.848 1.00 54.51 C ATOM 837 CG LEU A 54 7.816 3.700 5.798 1.00 2.14 C ATOM 838 CD1 LEU A 54 8.215 2.347 5.201 1.00 13.43 C ATOM 839 CD2 LEU A 54 8.507 3.853 7.156 1.00 41.40 C ATOM 0 H LEU A 54 6.964 6.789 3.447 1.00 31.31 H new ATOM 0 HA LEU A 54 7.410 6.173 6.327 1.00 72.13 H new ATOM 0 HB2 LEU A 54 7.798 4.635 3.862 1.00 54.51 H new ATOM 0 HB3 LEU A 54 9.299 4.845 4.742 1.00 54.51 H new ATOM 0 HG LEU A 54 6.735 3.746 5.933 1.00 2.14 H new ATOM 0 HD11 LEU A 54 7.927 1.548 5.885 1.00 13.43 H new ATOM 0 HD12 LEU A 54 7.709 2.207 4.246 1.00 13.43 H new ATOM 0 HD13 LEU A 54 9.294 2.321 5.047 1.00 13.43 H new ATOM 0 HD21 LEU A 54 8.209 3.034 7.810 1.00 41.40 H new ATOM 0 HD22 LEU A 54 9.588 3.833 7.018 1.00 41.40 H new ATOM 0 HD23 LEU A 54 8.216 4.802 7.607 1.00 41.40 H new ATOM 851 N SER A 55 10.006 6.965 5.943 1.00 43.20 N ATOM 852 CA SER A 55 11.270 7.661 5.733 1.00 42.42 C ATOM 853 C SER A 55 11.772 7.396 4.311 1.00 2.50 C ATOM 854 O SER A 55 11.409 6.374 3.730 1.00 73.22 O ATOM 855 CB SER A 55 12.299 7.115 6.725 1.00 62.03 C ATOM 856 OG SER A 55 12.878 8.138 7.506 1.00 62.24 O ATOM 0 H SER A 55 10.054 6.223 6.641 1.00 43.20 H new ATOM 0 HA SER A 55 11.128 8.732 5.878 1.00 42.42 H new ATOM 0 HB2 SER A 55 11.820 6.387 7.380 1.00 62.03 H new ATOM 0 HB3 SER A 55 13.082 6.588 6.181 1.00 62.03 H new ATOM 0 HG SER A 55 13.528 7.747 8.127 1.00 62.24 H new ATOM 862 N THR A 56 12.685 8.236 3.808 1.00 43.15 N ATOM 863 CA THR A 56 13.327 8.035 2.509 1.00 41.51 C ATOM 864 C THR A 56 13.975 6.651 2.459 1.00 64.04 C ATOM 865 O THR A 56 13.578 5.794 1.673 1.00 60.22 O ATOM 866 CB THR A 56 14.320 9.179 2.196 1.00 3.40 C ATOM 867 OG1 THR A 56 15.351 9.342 3.163 1.00 4.34 O ATOM 868 CG2 THR A 56 13.593 10.520 2.134 1.00 53.35 C ATOM 0 H THR A 56 12.998 9.076 4.294 1.00 43.15 H new ATOM 0 HA THR A 56 12.572 8.069 1.723 1.00 41.51 H new ATOM 0 HB THR A 56 14.766 8.892 1.243 1.00 3.40 H new ATOM 0 HG1 THR A 56 15.937 10.080 2.895 1.00 4.34 H new ATOM 0 HG21 THR A 56 14.309 11.312 1.913 1.00 53.35 H new ATOM 0 HG22 THR A 56 12.835 10.487 1.352 1.00 53.35 H new ATOM 0 HG23 THR A 56 13.116 10.720 3.093 1.00 53.35 H new ATOM 876 N ILE A 57 14.934 6.434 3.360 1.00 33.44 N ATOM 877 CA ILE A 57 15.677 5.198 3.520 1.00 20.24 C ATOM 878 C ILE A 57 14.726 4.022 3.695 1.00 20.12 C ATOM 879 O ILE A 57 14.791 3.085 2.905 1.00 13.21 O ATOM 880 CB ILE A 57 16.670 5.332 4.694 1.00 63.03 C ATOM 881 CG1 ILE A 57 17.635 6.528 4.549 1.00 14.32 C ATOM 882 CG2 ILE A 57 17.449 4.030 4.914 1.00 75.05 C ATOM 883 CD1 ILE A 57 18.565 6.423 3.335 1.00 34.32 C ATOM 0 H ILE A 57 15.222 7.152 4.025 1.00 33.44 H new ATOM 0 HA ILE A 57 16.258 5.002 2.619 1.00 20.24 H new ATOM 0 HB ILE A 57 16.062 5.532 5.576 1.00 63.03 H new ATOM 0 HG12 ILE A 57 17.053 7.446 4.472 1.00 14.32 H new ATOM 0 HG13 ILE A 57 18.239 6.608 5.453 1.00 14.32 H new ATOM 0 HG21 ILE A 57 18.140 4.156 5.747 1.00 75.05 H new ATOM 0 HG22 ILE A 57 16.752 3.223 5.139 1.00 75.05 H new ATOM 0 HG23 ILE A 57 18.009 3.784 4.012 1.00 75.05 H new ATOM 0 HD11 ILE A 57 19.214 7.298 3.297 1.00 34.32 H new ATOM 0 HD12 ILE A 57 19.174 5.523 3.420 1.00 34.32 H new ATOM 0 HD13 ILE A 57 17.969 6.374 2.424 1.00 34.32 H new ATOM 895 N GLU A 58 13.870 4.055 4.719 1.00 21.20 N ATOM 896 CA GLU A 58 13.069 2.895 5.096 1.00 41.54 C ATOM 897 C GLU A 58 12.206 2.447 3.907 1.00 44.21 C ATOM 898 O GLU A 58 12.177 1.261 3.573 1.00 15.33 O ATOM 899 CB GLU A 58 12.167 3.204 6.298 1.00 14.42 C ATOM 900 CG GLU A 58 12.810 3.855 7.531 1.00 44.34 C ATOM 901 CD GLU A 58 13.764 3.000 8.362 1.00 63.25 C ATOM 902 OE1 GLU A 58 13.570 2.944 9.598 1.00 4.34 O ATOM 903 OE2 GLU A 58 14.798 2.551 7.808 1.00 20.34 O ATOM 0 H GLU A 58 13.716 4.877 5.302 1.00 21.20 H new ATOM 0 HA GLU A 58 13.752 2.094 5.379 1.00 41.54 H new ATOM 0 HB2 GLU A 58 11.365 3.858 5.955 1.00 14.42 H new ATOM 0 HB3 GLU A 58 11.703 2.271 6.617 1.00 14.42 H new ATOM 0 HG2 GLU A 58 13.353 4.740 7.199 1.00 44.34 H new ATOM 0 HG3 GLU A 58 12.009 4.199 8.186 1.00 44.34 H new ATOM 910 N ALA A 59 11.537 3.407 3.248 1.00 15.51 N ATOM 911 CA ALA A 59 10.708 3.158 2.080 1.00 61.13 C ATOM 912 C ALA A 59 11.540 2.532 0.964 1.00 73.25 C ATOM 913 O ALA A 59 11.177 1.481 0.437 1.00 54.10 O ATOM 914 CB ALA A 59 10.098 4.473 1.576 1.00 63.02 C ATOM 0 H ALA A 59 11.564 4.389 3.524 1.00 15.51 H new ATOM 0 HA ALA A 59 9.911 2.472 2.365 1.00 61.13 H new ATOM 0 HB1 ALA A 59 9.479 4.275 0.701 1.00 63.02 H new ATOM 0 HB2 ALA A 59 9.485 4.914 2.362 1.00 63.02 H new ATOM 0 HB3 ALA A 59 10.896 5.165 1.307 1.00 63.02 H new ATOM 920 N ALA A 60 12.629 3.206 0.589 1.00 41.33 N ATOM 921 CA ALA A 60 13.492 2.833 -0.516 1.00 55.11 C ATOM 922 C ALA A 60 14.021 1.411 -0.321 1.00 54.44 C ATOM 923 O ALA A 60 13.917 0.589 -1.232 1.00 52.53 O ATOM 924 CB ALA A 60 14.625 3.860 -0.618 1.00 12.11 C ATOM 0 H ALA A 60 12.938 4.053 1.066 1.00 41.33 H new ATOM 0 HA ALA A 60 12.934 2.836 -1.452 1.00 55.11 H new ATOM 0 HB1 ALA A 60 15.284 3.594 -1.445 1.00 12.11 H new ATOM 0 HB2 ALA A 60 14.204 4.850 -0.793 1.00 12.11 H new ATOM 0 HB3 ALA A 60 15.194 3.867 0.312 1.00 12.11 H new ATOM 930 N GLN A 61 14.556 1.121 0.870 1.00 2.31 N ATOM 931 CA GLN A 61 15.074 -0.178 1.279 1.00 62.41 C ATOM 932 C GLN A 61 14.017 -1.262 1.107 1.00 23.20 C ATOM 933 O GLN A 61 14.266 -2.252 0.417 1.00 62.14 O ATOM 934 CB GLN A 61 15.537 -0.129 2.746 1.00 43.25 C ATOM 935 CG GLN A 61 16.878 0.595 2.929 1.00 54.21 C ATOM 936 CD GLN A 61 17.396 0.511 4.366 1.00 35.04 C ATOM 937 OE1 GLN A 61 16.719 0.047 5.278 1.00 44.51 O ATOM 938 NE2 GLN A 61 18.625 0.945 4.604 1.00 14.24 N ATOM 0 H GLN A 61 14.641 1.822 1.606 1.00 2.31 H new ATOM 0 HA GLN A 61 15.925 -0.419 0.642 1.00 62.41 H new ATOM 0 HB2 GLN A 61 14.776 0.371 3.345 1.00 43.25 H new ATOM 0 HB3 GLN A 61 15.625 -1.146 3.127 1.00 43.25 H new ATOM 0 HG2 GLN A 61 17.616 0.162 2.254 1.00 54.21 H new ATOM 0 HG3 GLN A 61 16.764 1.642 2.648 1.00 54.21 H new ATOM 0 HE21 GLN A 61 19.186 1.330 3.844 1.00 14.24 H new ATOM 0 HE22 GLN A 61 19.010 0.894 5.547 1.00 14.24 H new ATOM 947 N LEU A 62 12.852 -1.083 1.730 1.00 41.31 N ATOM 948 CA LEU A 62 11.766 -2.052 1.700 1.00 52.42 C ATOM 949 C LEU A 62 11.315 -2.312 0.266 1.00 53.30 C ATOM 950 O LEU A 62 11.081 -3.458 -0.114 1.00 13.21 O ATOM 951 CB LEU A 62 10.633 -1.515 2.585 1.00 31.23 C ATOM 952 CG LEU A 62 9.336 -2.338 2.648 1.00 31.42 C ATOM 953 CD1 LEU A 62 8.370 -2.040 1.503 1.00 33.22 C ATOM 954 CD2 LEU A 62 9.547 -3.849 2.827 1.00 71.24 C ATOM 0 H LEU A 62 12.637 -0.249 2.276 1.00 41.31 H new ATOM 0 HA LEU A 62 12.094 -3.015 2.091 1.00 52.42 H new ATOM 0 HB2 LEU A 62 11.017 -1.413 3.600 1.00 31.23 H new ATOM 0 HB3 LEU A 62 10.380 -0.513 2.238 1.00 31.23 H new ATOM 0 HG LEU A 62 8.861 -1.993 3.566 1.00 31.42 H new ATOM 0 HD11 LEU A 62 7.477 -2.656 1.611 1.00 33.22 H new ATOM 0 HD12 LEU A 62 8.090 -0.987 1.528 1.00 33.22 H new ATOM 0 HD13 LEU A 62 8.853 -2.264 0.552 1.00 33.22 H new ATOM 0 HD21 LEU A 62 8.580 -4.350 2.861 1.00 71.24 H new ATOM 0 HD22 LEU A 62 10.127 -4.237 1.990 1.00 71.24 H new ATOM 0 HD23 LEU A 62 10.084 -4.034 3.757 1.00 71.24 H new ATOM 966 N LEU A 63 11.209 -1.268 -0.554 1.00 23.21 N ATOM 967 CA LEU A 63 10.753 -1.403 -1.930 1.00 42.33 C ATOM 968 C LEU A 63 11.704 -2.313 -2.716 1.00 54.11 C ATOM 969 O LEU A 63 11.245 -3.103 -3.538 1.00 21.42 O ATOM 970 CB LEU A 63 10.640 -0.024 -2.598 1.00 20.04 C ATOM 971 CG LEU A 63 10.045 -0.115 -4.025 1.00 3.34 C ATOM 972 CD1 LEU A 63 8.618 0.434 -4.104 1.00 55.24 C ATOM 973 CD2 LEU A 63 10.953 0.619 -5.011 1.00 63.02 C ATOM 0 H LEU A 63 11.436 -0.311 -0.282 1.00 23.21 H new ATOM 0 HA LEU A 63 9.763 -1.860 -1.927 1.00 42.33 H new ATOM 0 HB2 LEU A 63 10.014 0.625 -1.985 1.00 20.04 H new ATOM 0 HB3 LEU A 63 11.626 0.437 -2.646 1.00 20.04 H new ATOM 0 HG LEU A 63 9.991 -1.171 -4.289 1.00 3.34 H new ATOM 0 HD11 LEU A 63 8.250 0.346 -5.126 1.00 55.24 H new ATOM 0 HD12 LEU A 63 7.972 -0.135 -3.435 1.00 55.24 H new ATOM 0 HD13 LEU A 63 8.615 1.483 -3.807 1.00 55.24 H new ATOM 0 HD21 LEU A 63 10.531 0.552 -6.014 1.00 63.02 H new ATOM 0 HD22 LEU A 63 11.034 1.666 -4.720 1.00 63.02 H new ATOM 0 HD23 LEU A 63 11.943 0.162 -5.003 1.00 63.02 H new ATOM 985 N GLN A 64 13.015 -2.244 -2.453 1.00 11.10 N ATOM 986 CA GLN A 64 13.957 -3.146 -3.107 1.00 73.03 C ATOM 987 C GLN A 64 13.625 -4.608 -2.767 1.00 53.24 C ATOM 988 O GLN A 64 13.698 -5.482 -3.631 1.00 15.40 O ATOM 989 CB GLN A 64 15.406 -2.885 -2.663 1.00 72.45 C ATOM 990 CG GLN A 64 16.041 -1.498 -2.810 1.00 40.43 C ATOM 991 CD GLN A 64 15.963 -0.848 -4.188 1.00 4.44 C ATOM 992 OE1 GLN A 64 16.983 -0.615 -4.835 1.00 61.45 O ATOM 993 NE2 GLN A 64 14.777 -0.445 -4.614 1.00 4.43 N ATOM 0 H GLN A 64 13.438 -1.582 -1.802 1.00 11.10 H new ATOM 0 HA GLN A 64 13.867 -2.964 -4.178 1.00 73.03 H new ATOM 0 HB2 GLN A 64 15.470 -3.155 -1.609 1.00 72.45 H new ATOM 0 HB3 GLN A 64 16.038 -3.585 -3.210 1.00 72.45 H new ATOM 0 HG2 GLN A 64 15.567 -0.829 -2.092 1.00 40.43 H new ATOM 0 HG3 GLN A 64 17.091 -1.574 -2.529 1.00 40.43 H new ATOM 0 HE21 GLN A 64 13.942 -0.647 -4.064 1.00 4.43 H new ATOM 0 HE22 GLN A 64 14.698 0.068 -5.492 1.00 4.43 H new ATOM 1002 N ILE A 65 13.291 -4.891 -1.503 1.00 61.44 N ATOM 1003 CA ILE A 65 12.892 -6.221 -1.047 1.00 35.11 C ATOM 1004 C ILE A 65 11.656 -6.649 -1.843 1.00 14.21 C ATOM 1005 O ILE A 65 11.679 -7.705 -2.478 1.00 53.12 O ATOM 1006 CB ILE A 65 12.702 -6.254 0.494 1.00 62.21 C ATOM 1007 CG1 ILE A 65 13.983 -5.780 1.223 1.00 63.12 C ATOM 1008 CG2 ILE A 65 12.278 -7.649 0.974 1.00 73.11 C ATOM 1009 CD1 ILE A 65 13.831 -5.614 2.739 1.00 73.45 C ATOM 0 H ILE A 65 13.291 -4.191 -0.761 1.00 61.44 H new ATOM 0 HA ILE A 65 13.678 -6.951 -1.239 1.00 35.11 H new ATOM 0 HB ILE A 65 11.899 -5.561 0.743 1.00 62.21 H new ATOM 0 HG12 ILE A 65 14.782 -6.495 1.028 1.00 63.12 H new ATOM 0 HG13 ILE A 65 14.297 -4.827 0.796 1.00 63.12 H new ATOM 0 HG21 ILE A 65 12.153 -7.639 2.057 1.00 73.11 H new ATOM 0 HG22 ILE A 65 11.335 -7.925 0.503 1.00 73.11 H new ATOM 0 HG23 ILE A 65 13.045 -8.375 0.704 1.00 73.11 H new ATOM 0 HD11 ILE A 65 14.777 -5.280 3.165 1.00 73.45 H new ATOM 0 HD12 ILE A 65 13.057 -4.875 2.948 1.00 73.45 H new ATOM 0 HD13 ILE A 65 13.550 -6.569 3.183 1.00 73.45 H new ATOM 1021 N LEU A 66 10.612 -5.809 -1.866 1.00 2.55 N ATOM 1022 CA LEU A 66 9.373 -6.027 -2.610 1.00 73.00 C ATOM 1023 C LEU A 66 9.573 -6.336 -4.093 1.00 20.32 C ATOM 1024 O LEU A 66 8.691 -6.963 -4.684 1.00 71.43 O ATOM 1025 CB LEU A 66 8.391 -4.847 -2.474 1.00 74.13 C ATOM 1026 CG LEU A 66 7.749 -4.684 -1.087 1.00 11.43 C ATOM 1027 CD1 LEU A 66 6.744 -3.524 -1.126 1.00 42.24 C ATOM 1028 CD2 LEU A 66 7.006 -5.941 -0.627 1.00 15.44 C ATOM 0 H LEU A 66 10.611 -4.930 -1.348 1.00 2.55 H new ATOM 0 HA LEU A 66 8.947 -6.916 -2.144 1.00 73.00 H new ATOM 0 HB2 LEU A 66 8.919 -3.926 -2.723 1.00 74.13 H new ATOM 0 HB3 LEU A 66 7.598 -4.969 -3.211 1.00 74.13 H new ATOM 0 HG LEU A 66 8.559 -4.492 -0.383 1.00 11.43 H new ATOM 0 HD11 LEU A 66 6.287 -3.406 -0.144 1.00 42.24 H new ATOM 0 HD12 LEU A 66 7.261 -2.604 -1.399 1.00 42.24 H new ATOM 0 HD13 LEU A 66 5.970 -3.738 -1.863 1.00 42.24 H new ATOM 0 HD21 LEU A 66 6.573 -5.768 0.358 1.00 15.44 H new ATOM 0 HD22 LEU A 66 6.212 -6.174 -1.336 1.00 15.44 H new ATOM 0 HD23 LEU A 66 7.703 -6.777 -0.575 1.00 15.44 H new ATOM 1040 N GLN A 67 10.700 -5.951 -4.692 1.00 21.03 N ATOM 1041 CA GLN A 67 10.982 -6.184 -6.104 1.00 0.53 C ATOM 1042 C GLN A 67 11.999 -7.310 -6.318 1.00 73.33 C ATOM 1043 O GLN A 67 12.515 -7.471 -7.427 1.00 0.22 O ATOM 1044 CB GLN A 67 11.380 -4.857 -6.765 1.00 0.23 C ATOM 1045 CG GLN A 67 10.163 -3.918 -6.770 1.00 41.23 C ATOM 1046 CD GLN A 67 10.381 -2.629 -7.544 1.00 40.21 C ATOM 1047 OE1 GLN A 67 11.189 -2.538 -8.462 1.00 1.33 O ATOM 1048 NE2 GLN A 67 9.622 -1.610 -7.203 1.00 35.05 N ATOM 0 H GLN A 67 11.450 -5.463 -4.202 1.00 21.03 H new ATOM 0 HA GLN A 67 10.078 -6.542 -6.597 1.00 0.53 H new ATOM 0 HB2 GLN A 67 12.207 -4.399 -6.223 1.00 0.23 H new ATOM 0 HB3 GLN A 67 11.725 -5.032 -7.784 1.00 0.23 H new ATOM 0 HG2 GLN A 67 9.311 -4.447 -7.197 1.00 41.23 H new ATOM 0 HG3 GLN A 67 9.902 -3.672 -5.741 1.00 41.23 H new ATOM 0 HE21 GLN A 67 8.956 -1.704 -6.437 1.00 35.05 H new ATOM 0 HE22 GLN A 67 9.700 -0.726 -7.705 1.00 35.05 H new ATOM 1057 N ALA A 68 12.263 -8.115 -5.285 1.00 41.22 N ATOM 1058 CA ALA A 68 13.196 -9.233 -5.316 1.00 20.03 C ATOM 1059 C ALA A 68 12.591 -10.557 -4.841 1.00 42.21 C ATOM 1060 O ALA A 68 13.027 -11.607 -5.318 1.00 60.25 O ATOM 1061 CB ALA A 68 14.390 -8.877 -4.432 1.00 22.31 C ATOM 0 H ALA A 68 11.815 -7.998 -4.376 1.00 41.22 H new ATOM 0 HA ALA A 68 13.486 -9.388 -6.355 1.00 20.03 H new ATOM 0 HB1 ALA A 68 15.105 -9.700 -4.438 1.00 22.31 H new ATOM 0 HB2 ALA A 68 14.870 -7.976 -4.814 1.00 22.31 H new ATOM 0 HB3 ALA A 68 14.048 -8.701 -3.412 1.00 22.31 H new ATOM 1067 N LEU A 69 11.671 -10.509 -3.877 1.00 62.03 N ATOM 1068 CA LEU A 69 11.095 -11.637 -3.138 1.00 55.50 C ATOM 1069 C LEU A 69 9.861 -12.277 -3.806 1.00 0.11 C ATOM 1070 O LEU A 69 9.563 -11.989 -4.966 1.00 15.12 O ATOM 1071 CB LEU A 69 10.805 -11.194 -1.703 1.00 73.31 C ATOM 1072 CG LEU A 69 9.756 -10.085 -1.501 1.00 20.01 C ATOM 1073 CD1 LEU A 69 9.022 -9.486 -2.711 1.00 63.24 C ATOM 1074 CD2 LEU A 69 8.723 -10.518 -0.475 1.00 53.13 C ATOM 0 H LEU A 69 11.280 -9.619 -3.569 1.00 62.03 H new ATOM 0 HA LEU A 69 11.836 -12.436 -3.139 1.00 55.50 H new ATOM 0 HB2 LEU A 69 10.482 -12.069 -1.139 1.00 73.31 H new ATOM 0 HB3 LEU A 69 11.742 -10.856 -1.259 1.00 73.31 H new ATOM 0 HG LEU A 69 10.393 -9.262 -1.176 1.00 20.01 H new ATOM 0 HD11 LEU A 69 8.324 -8.721 -2.371 1.00 63.24 H new ATOM 0 HD12 LEU A 69 9.747 -9.039 -3.392 1.00 63.24 H new ATOM 0 HD13 LEU A 69 8.474 -10.272 -3.230 1.00 63.24 H new ATOM 0 HD21 LEU A 69 7.988 -9.725 -0.342 1.00 53.13 H new ATOM 0 HD22 LEU A 69 8.223 -11.422 -0.822 1.00 53.13 H new ATOM 0 HD23 LEU A 69 9.217 -10.718 0.476 1.00 53.13 H new ATOM 1086 N HIS A 70 9.131 -13.120 -3.061 1.00 2.53 N ATOM 1087 CA HIS A 70 7.832 -13.678 -3.437 1.00 14.24 C ATOM 1088 C HIS A 70 6.710 -12.613 -3.502 1.00 24.22 C ATOM 1089 O HIS A 70 6.732 -11.622 -2.775 1.00 1.41 O ATOM 1090 CB HIS A 70 7.427 -14.780 -2.437 1.00 42.33 C ATOM 1091 CG HIS A 70 7.851 -16.160 -2.869 1.00 75.30 C ATOM 1092 ND1 HIS A 70 7.122 -17.023 -3.662 1.00 53.42 N ATOM 1093 CD2 HIS A 70 9.020 -16.787 -2.540 1.00 62.13 C ATOM 1094 CE1 HIS A 70 7.840 -18.144 -3.816 1.00 22.42 C ATOM 1095 NE2 HIS A 70 9.005 -18.048 -3.148 1.00 2.52 N ATOM 0 H HIS A 70 9.445 -13.442 -2.145 1.00 2.53 H new ATOM 0 HA HIS A 70 7.947 -14.090 -4.440 1.00 14.24 H new ATOM 0 HB2 HIS A 70 7.868 -14.559 -1.465 1.00 42.33 H new ATOM 0 HB3 HIS A 70 6.345 -14.764 -2.307 1.00 42.33 H new ATOM 0 HD2 HIS A 70 9.810 -16.384 -1.924 1.00 62.13 H new ATOM 0 HE1 HIS A 70 7.529 -19.002 -4.393 1.00 22.42 H new ATOM 0 HE2 HIS A 70 9.736 -18.757 -3.095 1.00 2.52 H new ATOM 1103 N PRO A 71 5.673 -12.834 -4.320 1.00 11.43 N ATOM 1104 CA PRO A 71 4.592 -11.882 -4.541 1.00 13.31 C ATOM 1105 C PRO A 71 3.715 -11.656 -3.302 1.00 63.12 C ATOM 1106 O PRO A 71 3.756 -12.441 -2.349 1.00 21.35 O ATOM 1107 CB PRO A 71 3.770 -12.453 -5.699 1.00 1.35 C ATOM 1108 CG PRO A 71 4.104 -13.942 -5.695 1.00 1.31 C ATOM 1109 CD PRO A 71 5.535 -13.981 -5.181 1.00 60.24 C ATOM 0 HA PRO A 71 5.002 -10.898 -4.768 1.00 13.31 H new ATOM 0 HB2 PRO A 71 2.703 -12.284 -5.552 1.00 1.35 H new ATOM 0 HB3 PRO A 71 4.039 -11.987 -6.647 1.00 1.35 H new ATOM 0 HG2 PRO A 71 3.429 -14.503 -5.049 1.00 1.31 H new ATOM 0 HG3 PRO A 71 4.023 -14.375 -6.692 1.00 1.31 H new ATOM 0 HD2 PRO A 71 5.730 -14.905 -4.636 1.00 60.24 H new ATOM 0 HD3 PRO A 71 6.248 -13.940 -6.005 1.00 60.24 H new ATOM 1117 N PRO A 72 2.891 -10.595 -3.313 1.00 53.31 N ATOM 1118 CA PRO A 72 2.081 -10.242 -2.164 1.00 72.02 C ATOM 1119 C PRO A 72 0.930 -11.218 -1.924 1.00 40.22 C ATOM 1120 O PRO A 72 0.197 -11.610 -2.841 1.00 34.11 O ATOM 1121 CB PRO A 72 1.578 -8.827 -2.426 1.00 32.25 C ATOM 1122 CG PRO A 72 1.686 -8.636 -3.935 1.00 35.24 C ATOM 1123 CD PRO A 72 2.844 -9.544 -4.323 1.00 60.03 C ATOM 0 HA PRO A 72 2.674 -10.294 -1.251 1.00 72.02 H new ATOM 0 HB2 PRO A 72 0.549 -8.706 -2.087 1.00 32.25 H new ATOM 0 HB3 PRO A 72 2.179 -8.091 -1.892 1.00 32.25 H new ATOM 0 HG2 PRO A 72 0.765 -8.920 -4.443 1.00 35.24 H new ATOM 0 HG3 PRO A 72 1.886 -7.597 -4.195 1.00 35.24 H new ATOM 0 HD2 PRO A 72 2.693 -9.965 -5.317 1.00 60.03 H new ATOM 0 HD3 PRO A 72 3.782 -8.989 -4.352 1.00 60.03 H new ATOM 1131 N LEU A 73 0.700 -11.519 -0.651 1.00 35.24 N ATOM 1132 CA LEU A 73 -0.436 -12.277 -0.151 1.00 22.42 C ATOM 1133 C LEU A 73 -1.693 -11.434 -0.353 1.00 32.13 C ATOM 1134 O LEU A 73 -1.752 -10.261 0.011 1.00 32.05 O ATOM 1135 CB LEU A 73 -0.127 -12.742 1.283 1.00 40.33 C ATOM 1136 CG LEU A 73 -1.098 -13.786 1.870 1.00 64.21 C ATOM 1137 CD1 LEU A 73 -2.326 -13.077 2.412 1.00 0.34 C ATOM 1138 CD2 LEU A 73 -1.539 -14.880 0.885 1.00 54.12 C ATOM 0 H LEU A 73 1.332 -11.226 0.094 1.00 35.24 H new ATOM 0 HA LEU A 73 -0.626 -13.201 -0.697 1.00 22.42 H new ATOM 0 HB2 LEU A 73 0.880 -13.159 1.301 1.00 40.33 H new ATOM 0 HB3 LEU A 73 -0.123 -11.869 1.936 1.00 40.33 H new ATOM 0 HG LEU A 73 -0.546 -14.298 2.658 1.00 64.21 H new ATOM 0 HD11 LEU A 73 -3.016 -13.811 2.828 1.00 0.34 H new ATOM 0 HD12 LEU A 73 -2.027 -12.377 3.192 1.00 0.34 H new ATOM 0 HD13 LEU A 73 -2.818 -12.533 1.605 1.00 0.34 H new ATOM 0 HD21 LEU A 73 -2.220 -15.568 1.386 1.00 54.12 H new ATOM 0 HD22 LEU A 73 -2.046 -14.422 0.036 1.00 54.12 H new ATOM 0 HD23 LEU A 73 -0.664 -15.427 0.533 1.00 54.12 H new ATOM 1150 N THR A 74 -2.671 -11.993 -1.056 1.00 33.31 N ATOM 1151 CA THR A 74 -3.986 -11.390 -1.273 1.00 14.31 C ATOM 1152 C THR A 74 -4.870 -11.622 -0.049 1.00 3.34 C ATOM 1153 O THR A 74 -4.826 -12.674 0.585 1.00 34.04 O ATOM 1154 CB THR A 74 -4.643 -11.913 -2.564 1.00 33.02 C ATOM 1155 OG1 THR A 74 -6.047 -11.835 -2.536 1.00 32.32 O ATOM 1156 CG2 THR A 74 -4.250 -13.320 -2.944 1.00 61.24 C ATOM 0 H THR A 74 -2.571 -12.904 -1.504 1.00 33.31 H new ATOM 0 HA THR A 74 -3.860 -10.315 -1.405 1.00 14.31 H new ATOM 0 HB THR A 74 -4.252 -11.238 -3.326 1.00 33.02 H new ATOM 0 HG1 THR A 74 -6.427 -12.732 -2.641 1.00 32.32 H new ATOM 0 HG21 THR A 74 -4.760 -13.604 -3.864 1.00 61.24 H new ATOM 0 HG22 THR A 74 -3.172 -13.368 -3.097 1.00 61.24 H new ATOM 0 HG23 THR A 74 -4.534 -14.005 -2.145 1.00 61.24 H new ATOM 1164 N ILE A 75 -5.724 -10.639 0.234 1.00 21.14 N ATOM 1165 CA ILE A 75 -6.545 -10.571 1.436 1.00 60.42 C ATOM 1166 C ILE A 75 -8.015 -10.336 1.046 1.00 2.31 C ATOM 1167 O ILE A 75 -8.747 -9.716 1.810 1.00 63.30 O ATOM 1168 CB ILE A 75 -5.990 -9.497 2.423 1.00 62.11 C ATOM 1169 CG1 ILE A 75 -4.461 -9.247 2.401 1.00 75.02 C ATOM 1170 CG2 ILE A 75 -6.390 -9.884 3.855 1.00 74.01 C ATOM 1171 CD1 ILE A 75 -3.945 -8.297 1.316 1.00 74.41 C ATOM 0 H ILE A 75 -5.866 -9.844 -0.389 1.00 21.14 H new ATOM 0 HA ILE A 75 -6.502 -11.521 1.969 1.00 60.42 H new ATOM 0 HB ILE A 75 -6.435 -8.563 2.081 1.00 62.11 H new ATOM 0 HG12 ILE A 75 -4.165 -8.850 3.372 1.00 75.02 H new ATOM 0 HG13 ILE A 75 -3.959 -10.207 2.282 1.00 75.02 H new ATOM 0 HG21 ILE A 75 -6.007 -9.140 4.553 1.00 74.01 H new ATOM 0 HG22 ILE A 75 -7.477 -9.927 3.930 1.00 74.01 H new ATOM 0 HG23 ILE A 75 -5.971 -10.860 4.099 1.00 74.01 H new ATOM 0 HD11 ILE A 75 -2.863 -8.201 1.401 1.00 74.41 H new ATOM 0 HD12 ILE A 75 -4.198 -8.695 0.333 1.00 74.41 H new ATOM 0 HD13 ILE A 75 -4.407 -7.318 1.440 1.00 74.41 H new ATOM 1183 N ASP A 76 -8.401 -10.617 -0.206 1.00 33.21 N ATOM 1184 CA ASP A 76 -9.798 -10.592 -0.704 1.00 31.35 C ATOM 1185 C ASP A 76 -9.873 -11.137 -2.141 1.00 43.21 C ATOM 1186 O ASP A 76 -10.633 -10.628 -2.963 1.00 55.23 O ATOM 1187 CB ASP A 76 -10.453 -9.184 -0.610 1.00 22.32 C ATOM 1188 CG ASP A 76 -11.954 -9.239 -0.337 1.00 51.52 C ATOM 1189 OD1 ASP A 76 -12.733 -8.669 -1.134 1.00 51.31 O ATOM 1190 OD2 ASP A 76 -12.347 -9.774 0.722 1.00 11.22 O ATOM 0 H ASP A 76 -7.732 -10.878 -0.931 1.00 33.21 H new ATOM 0 HA ASP A 76 -10.374 -11.244 -0.047 1.00 31.35 H new ATOM 0 HB2 ASP A 76 -9.966 -8.616 0.182 1.00 22.32 H new ATOM 0 HB3 ASP A 76 -10.279 -8.646 -1.542 1.00 22.32 H new ATOM 1195 N GLY A 77 -8.996 -12.076 -2.514 1.00 72.40 N ATOM 1196 CA GLY A 77 -8.864 -12.578 -3.886 1.00 73.00 C ATOM 1197 C GLY A 77 -8.331 -11.553 -4.897 1.00 42.34 C ATOM 1198 O GLY A 77 -8.389 -11.781 -6.110 1.00 64.14 O ATOM 0 H GLY A 77 -8.348 -12.515 -1.860 1.00 72.40 H new ATOM 0 HA2 GLY A 77 -8.199 -13.441 -3.880 1.00 73.00 H new ATOM 0 HA3 GLY A 77 -9.839 -12.929 -4.225 1.00 73.00 H new ATOM 1202 N LYS A 78 -7.748 -10.454 -4.409 1.00 12.55 N ATOM 1203 CA LYS A 78 -7.069 -9.430 -5.177 1.00 43.24 C ATOM 1204 C LYS A 78 -5.584 -9.487 -4.874 1.00 71.12 C ATOM 1205 O LYS A 78 -5.181 -9.059 -3.789 1.00 64.44 O ATOM 1206 CB LYS A 78 -7.631 -8.041 -4.857 1.00 44.41 C ATOM 1207 CG LYS A 78 -8.262 -7.806 -3.479 1.00 75.12 C ATOM 1208 CD LYS A 78 -7.372 -7.827 -2.226 1.00 72.24 C ATOM 1209 CE LYS A 78 -8.014 -6.955 -1.130 1.00 32.23 C ATOM 1210 NZ LYS A 78 -7.616 -7.259 0.264 1.00 75.11 N ATOM 0 H LYS A 78 -7.742 -10.253 -3.409 1.00 12.55 H new ATOM 0 HA LYS A 78 -7.232 -9.614 -6.239 1.00 43.24 H new ATOM 0 HB2 LYS A 78 -6.822 -7.320 -4.978 1.00 44.41 H new ATOM 0 HB3 LYS A 78 -8.383 -7.806 -5.610 1.00 44.41 H new ATOM 0 HG2 LYS A 78 -8.761 -6.837 -3.509 1.00 75.12 H new ATOM 0 HG3 LYS A 78 -9.037 -8.560 -3.342 1.00 75.12 H new ATOM 0 HD2 LYS A 78 -7.251 -8.850 -1.869 1.00 72.24 H new ATOM 0 HD3 LYS A 78 -6.377 -7.454 -2.467 1.00 72.24 H new ATOM 0 HE2 LYS A 78 -7.772 -5.912 -1.336 1.00 32.23 H new ATOM 0 HE3 LYS A 78 -9.097 -7.052 -1.206 1.00 32.23 H new ATOM 0 HZ1 LYS A 78 -7.593 -6.379 0.818 1.00 75.11 H new ATOM 0 HZ2 LYS A 78 -8.303 -7.916 0.686 1.00 75.11 H new ATOM 0 HZ3 LYS A 78 -6.672 -7.696 0.268 1.00 75.11 H new ATOM 1224 N THR A 79 -4.765 -10.007 -5.789 1.00 51.33 N ATOM 1225 CA THR A 79 -3.330 -9.836 -5.624 1.00 74.42 C ATOM 1226 C THR A 79 -2.967 -8.371 -5.854 1.00 3.34 C ATOM 1227 O THR A 79 -3.187 -7.825 -6.935 1.00 13.35 O ATOM 1228 CB THR A 79 -2.504 -10.847 -6.423 1.00 35.12 C ATOM 1229 OG1 THR A 79 -2.877 -12.173 -6.089 1.00 61.21 O ATOM 1230 CG2 THR A 79 -1.029 -10.727 -6.048 1.00 72.00 C ATOM 0 H THR A 79 -5.057 -10.527 -6.616 1.00 51.33 H new ATOM 0 HA THR A 79 -3.056 -10.073 -4.596 1.00 74.42 H new ATOM 0 HB THR A 79 -2.676 -10.640 -7.479 1.00 35.12 H new ATOM 0 HG1 THR A 79 -2.340 -12.805 -6.611 1.00 61.21 H new ATOM 0 HG21 THR A 79 -0.448 -11.450 -6.621 1.00 72.00 H new ATOM 0 HG22 THR A 79 -0.677 -9.720 -6.272 1.00 72.00 H new ATOM 0 HG23 THR A 79 -0.907 -10.926 -4.983 1.00 72.00 H new ATOM 1238 N ILE A 80 -2.488 -7.717 -4.802 1.00 43.13 N ATOM 1239 CA ILE A 80 -2.101 -6.318 -4.767 1.00 12.25 C ATOM 1240 C ILE A 80 -0.915 -6.071 -5.719 1.00 71.00 C ATOM 1241 O ILE A 80 -0.180 -6.993 -6.087 1.00 31.14 O ATOM 1242 CB ILE A 80 -1.834 -5.949 -3.283 1.00 44.10 C ATOM 1243 CG1 ILE A 80 -3.038 -6.244 -2.347 1.00 62.04 C ATOM 1244 CG2 ILE A 80 -1.398 -4.495 -3.069 1.00 35.12 C ATOM 1245 CD1 ILE A 80 -4.339 -5.523 -2.732 1.00 62.33 C ATOM 0 H ILE A 80 -2.353 -8.178 -3.902 1.00 43.13 H new ATOM 0 HA ILE A 80 -2.888 -5.659 -5.133 1.00 12.25 H new ATOM 0 HB ILE A 80 -1.003 -6.602 -3.015 1.00 44.10 H new ATOM 0 HG12 ILE A 80 -3.222 -7.318 -2.341 1.00 62.04 H new ATOM 0 HG13 ILE A 80 -2.768 -5.961 -1.330 1.00 62.04 H new ATOM 0 HG21 ILE A 80 -1.232 -4.318 -2.006 1.00 35.12 H new ATOM 0 HG22 ILE A 80 -0.475 -4.308 -3.617 1.00 35.12 H new ATOM 0 HG23 ILE A 80 -2.177 -3.824 -3.431 1.00 35.12 H new ATOM 0 HD11 ILE A 80 -5.125 -5.788 -2.024 1.00 62.33 H new ATOM 0 HD12 ILE A 80 -4.178 -4.445 -2.709 1.00 62.33 H new ATOM 0 HD13 ILE A 80 -4.638 -5.824 -3.736 1.00 62.33 H new ATOM 1257 N ASN A 81 -0.751 -4.811 -6.127 1.00 62.04 N ATOM 1258 CA ASN A 81 0.376 -4.292 -6.905 1.00 61.33 C ATOM 1259 C ASN A 81 1.211 -3.365 -6.030 1.00 55.53 C ATOM 1260 O ASN A 81 0.673 -2.795 -5.079 1.00 43.42 O ATOM 1261 CB ASN A 81 -0.143 -3.469 -8.096 1.00 75.00 C ATOM 1262 CG ASN A 81 0.259 -4.083 -9.416 1.00 42.20 C ATOM 1263 OD1 ASN A 81 1.173 -3.591 -10.064 1.00 54.44 O ATOM 1264 ND2 ASN A 81 -0.416 -5.133 -9.843 1.00 2.32 N ATOM 0 H ASN A 81 -1.437 -4.087 -5.912 1.00 62.04 H new ATOM 0 HA ASN A 81 0.972 -5.133 -7.258 1.00 61.33 H new ATOM 0 HB2 ASN A 81 -1.229 -3.398 -8.043 1.00 75.00 H new ATOM 0 HB3 ASN A 81 0.246 -2.453 -8.034 1.00 75.00 H new ATOM 0 HD21 ASN A 81 -0.181 -5.560 -10.739 1.00 2.32 H new ATOM 0 HD22 ASN A 81 -1.172 -5.518 -9.277 1.00 2.32 H new ATOM 1271 N VAL A 82 2.457 -3.110 -6.422 1.00 51.24 N ATOM 1272 CA VAL A 82 3.360 -2.147 -5.793 1.00 60.10 C ATOM 1273 C VAL A 82 3.770 -1.147 -6.875 1.00 22.33 C ATOM 1274 O VAL A 82 4.117 -1.548 -7.985 1.00 61.01 O ATOM 1275 CB VAL A 82 4.608 -2.856 -5.200 1.00 24.21 C ATOM 1276 CG1 VAL A 82 5.390 -1.920 -4.264 1.00 55.20 C ATOM 1277 CG2 VAL A 82 4.253 -4.114 -4.388 1.00 40.11 C ATOM 0 H VAL A 82 2.883 -3.586 -7.217 1.00 51.24 H new ATOM 0 HA VAL A 82 2.862 -1.642 -4.965 1.00 60.10 H new ATOM 0 HB VAL A 82 5.210 -3.140 -6.064 1.00 24.21 H new ATOM 0 HG11 VAL A 82 6.258 -2.446 -3.865 1.00 55.20 H new ATOM 0 HG12 VAL A 82 5.721 -1.043 -4.820 1.00 55.20 H new ATOM 0 HG13 VAL A 82 4.746 -1.607 -3.442 1.00 55.20 H new ATOM 0 HG21 VAL A 82 5.166 -4.566 -3.999 1.00 40.11 H new ATOM 0 HG22 VAL A 82 3.602 -3.840 -3.558 1.00 40.11 H new ATOM 0 HG23 VAL A 82 3.740 -4.829 -5.031 1.00 40.11 H new ATOM 1287 N GLU A 83 3.824 0.138 -6.547 1.00 61.00 N ATOM 1288 CA GLU A 83 4.435 1.189 -7.346 1.00 31.45 C ATOM 1289 C GLU A 83 5.319 2.045 -6.454 1.00 4.55 C ATOM 1290 O GLU A 83 5.169 2.082 -5.231 1.00 11.51 O ATOM 1291 CB GLU A 83 3.360 2.072 -8.001 1.00 51.10 C ATOM 1292 CG GLU A 83 3.075 1.658 -9.443 1.00 4.51 C ATOM 1293 CD GLU A 83 2.111 2.610 -10.157 1.00 62.14 C ATOM 1294 OE1 GLU A 83 1.214 3.213 -9.527 1.00 24.34 O ATOM 1295 OE2 GLU A 83 2.242 2.785 -11.393 1.00 23.15 O ATOM 0 H GLU A 83 3.424 0.490 -5.677 1.00 61.00 H new ATOM 0 HA GLU A 83 5.031 0.729 -8.134 1.00 31.45 H new ATOM 0 HB2 GLU A 83 2.440 2.014 -7.419 1.00 51.10 H new ATOM 0 HB3 GLU A 83 3.685 3.112 -7.981 1.00 51.10 H new ATOM 0 HG2 GLU A 83 4.013 1.617 -9.996 1.00 4.51 H new ATOM 0 HG3 GLU A 83 2.656 0.652 -9.451 1.00 4.51 H new ATOM 1302 N PHE A 84 6.193 2.807 -7.103 1.00 61.31 N ATOM 1303 CA PHE A 84 7.165 3.682 -6.463 1.00 61.10 C ATOM 1304 C PHE A 84 6.939 5.090 -6.989 1.00 72.31 C ATOM 1305 O PHE A 84 7.158 5.351 -8.176 1.00 11.44 O ATOM 1306 CB PHE A 84 8.587 3.163 -6.726 1.00 24.42 C ATOM 1307 CG PHE A 84 9.734 3.821 -5.966 1.00 14.22 C ATOM 1308 CD1 PHE A 84 9.563 4.343 -4.665 1.00 3.12 C ATOM 1309 CD2 PHE A 84 11.027 3.803 -6.528 1.00 55.53 C ATOM 1310 CE1 PHE A 84 10.668 4.813 -3.936 1.00 60.11 C ATOM 1311 CE2 PHE A 84 12.132 4.275 -5.799 1.00 14.54 C ATOM 1312 CZ PHE A 84 11.953 4.768 -4.495 1.00 62.45 C ATOM 0 H PHE A 84 6.245 2.832 -8.121 1.00 61.31 H new ATOM 0 HA PHE A 84 7.041 3.696 -5.380 1.00 61.10 H new ATOM 0 HB2 PHE A 84 8.602 2.097 -6.499 1.00 24.42 H new ATOM 0 HB3 PHE A 84 8.789 3.265 -7.792 1.00 24.42 H new ATOM 0 HD1 PHE A 84 8.576 4.381 -4.228 1.00 3.12 H new ATOM 0 HD2 PHE A 84 11.170 3.423 -7.529 1.00 55.53 H new ATOM 0 HE1 PHE A 84 10.527 5.210 -2.942 1.00 60.11 H new ATOM 0 HE2 PHE A 84 13.118 4.259 -6.240 1.00 14.54 H new ATOM 0 HZ PHE A 84 12.803 5.111 -3.925 1.00 62.45 H new ATOM 1322 N ALA A 85 6.444 5.985 -6.142 1.00 54.43 N ATOM 1323 CA ALA A 85 6.247 7.394 -6.443 1.00 24.22 C ATOM 1324 C ALA A 85 7.222 8.185 -5.578 1.00 74.20 C ATOM 1325 O ALA A 85 6.846 8.832 -4.596 1.00 34.01 O ATOM 1326 CB ALA A 85 4.787 7.784 -6.224 1.00 35.13 C ATOM 0 H ALA A 85 6.159 5.739 -5.194 1.00 54.43 H new ATOM 0 HA ALA A 85 6.454 7.616 -7.490 1.00 24.22 H new ATOM 0 HB1 ALA A 85 4.655 8.841 -6.453 1.00 35.13 H new ATOM 0 HB2 ALA A 85 4.149 7.188 -6.877 1.00 35.13 H new ATOM 0 HB3 ALA A 85 4.513 7.601 -5.185 1.00 35.13 H new ATOM 1332 N LYS A 86 8.503 8.084 -5.922 1.00 63.03 N ATOM 1333 CA LYS A 86 9.524 8.961 -5.377 1.00 31.44 C ATOM 1334 C LYS A 86 9.315 10.352 -5.973 1.00 34.42 C ATOM 1335 O LYS A 86 8.695 10.480 -7.032 1.00 21.35 O ATOM 1336 CB LYS A 86 10.903 8.387 -5.728 1.00 2.55 C ATOM 1337 CG LYS A 86 11.846 8.301 -4.526 1.00 52.44 C ATOM 1338 CD LYS A 86 12.428 9.614 -3.952 1.00 23.43 C ATOM 1339 CE LYS A 86 13.894 9.295 -3.589 1.00 23.14 C ATOM 1340 NZ LYS A 86 14.468 10.161 -2.554 1.00 51.43 N ATOM 0 H LYS A 86 8.857 7.393 -6.584 1.00 63.03 H new ATOM 0 HA LYS A 86 9.460 9.035 -4.291 1.00 31.44 H new ATOM 0 HB2 LYS A 86 10.777 7.392 -6.154 1.00 2.55 H new ATOM 0 HB3 LYS A 86 11.362 9.007 -6.498 1.00 2.55 H new ATOM 0 HG2 LYS A 86 11.313 7.795 -3.721 1.00 52.44 H new ATOM 0 HG3 LYS A 86 12.683 7.661 -4.806 1.00 52.44 H new ATOM 0 HD2 LYS A 86 12.372 10.420 -4.683 1.00 23.43 H new ATOM 0 HD3 LYS A 86 11.869 9.940 -3.075 1.00 23.43 H new ATOM 0 HE2 LYS A 86 13.955 8.260 -3.253 1.00 23.14 H new ATOM 0 HE3 LYS A 86 14.503 9.374 -4.489 1.00 23.14 H new ATOM 0 HZ1 LYS A 86 15.487 9.970 -2.467 1.00 51.43 H new ATOM 0 HZ2 LYS A 86 14.323 11.157 -2.815 1.00 51.43 H new ATOM 0 HZ3 LYS A 86 14.002 9.971 -1.644 1.00 51.43 H new