USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 28:sc= 0.0201 USER MOD Single : A 4 THR OG1 : rot 50:sc= 0.00695 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00595 USER MOD Single : A 8 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.21) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -9.53! C(o=-12!,f=-9.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.353) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 62 HIS : no HE2:sc= -5.88! C(o=-5.9!,f=-8.3!) USER MOD Single : A 63 CYS SG : rot 180:sc= -1.65 USER MOD Single : A 69 THR OG1 : rot 35:sc= 0.852 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.289 K(o=-0.29,f=-2.4!) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.421 F(o=-1.7,f=-0.42) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N THR A 3 2.227 -18.066 -1.898 1.00 0.00 N ATOM 30 CA THR A 3 2.789 -18.320 -3.214 1.00 0.00 C ATOM 31 C THR A 3 4.045 -17.474 -3.431 1.00 0.00 C ATOM 32 O THR A 3 4.408 -17.175 -4.567 1.00 0.00 O ATOM 33 CB THR A 3 1.695 -18.063 -4.253 1.00 0.00 C ATOM 34 OG1 THR A 3 0.860 -19.214 -4.170 1.00 0.00 O ATOM 35 CG2 THR A 3 2.231 -18.094 -5.686 1.00 0.00 C ATOM 0 HA THR A 3 3.113 -19.356 -3.312 1.00 0.00 H new ATOM 0 HB THR A 3 1.230 -17.096 -4.060 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.910 -19.590 -3.266 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.415 -17.906 -6.384 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.995 -17.326 -5.805 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.666 -19.072 -5.891 1.00 0.00 H new ATOM 43 N THR A 4 4.674 -17.113 -2.323 1.00 0.00 N ATOM 44 CA THR A 4 5.882 -16.306 -2.377 1.00 0.00 C ATOM 45 C THR A 4 6.299 -16.067 -3.829 1.00 0.00 C ATOM 46 O THR A 4 6.923 -16.926 -4.449 1.00 0.00 O ATOM 47 CB THR A 4 6.957 -17.008 -1.544 1.00 0.00 C ATOM 48 OG1 THR A 4 6.741 -18.394 -1.795 1.00 0.00 O ATOM 49 CG2 THR A 4 6.722 -16.861 -0.040 1.00 0.00 C ATOM 0 H THR A 4 4.370 -17.364 -1.382 1.00 0.00 H new ATOM 0 HA THR A 4 5.716 -15.316 -1.952 1.00 0.00 H new ATOM 0 HB THR A 4 7.936 -16.602 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.684 -18.546 -2.761 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.513 -17.377 0.504 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.728 -15.804 0.228 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.758 -17.296 0.222 1.00 0.00 H new ATOM 57 N ILE A 5 5.936 -14.895 -4.330 1.00 0.00 N ATOM 58 CA ILE A 5 6.264 -14.532 -5.698 1.00 0.00 C ATOM 59 C ILE A 5 7.507 -13.640 -5.700 1.00 0.00 C ATOM 60 O ILE A 5 7.922 -13.145 -4.654 1.00 0.00 O ATOM 61 CB ILE A 5 5.054 -13.902 -6.391 1.00 0.00 C ATOM 62 CG1 ILE A 5 5.416 -13.419 -7.797 1.00 0.00 C ATOM 63 CG2 ILE A 5 4.456 -12.782 -5.536 1.00 0.00 C ATOM 64 CD1 ILE A 5 4.170 -12.954 -8.554 1.00 0.00 C ATOM 0 H ILE A 5 5.418 -14.185 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 5 6.508 -15.421 -6.280 1.00 0.00 H new ATOM 0 HB ILE A 5 4.287 -14.668 -6.503 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.133 -12.600 -7.731 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.902 -14.224 -8.348 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.597 -12.350 -6.051 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.137 -13.188 -4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.207 -12.009 -5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.455 -12.616 -9.550 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.466 -13.782 -8.639 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.701 -12.133 -8.012 1.00 0.00 H new ATOM 75 N SER A 6 8.068 -13.462 -6.888 1.00 0.00 N ATOM 76 CA SER A 6 9.253 -12.638 -7.040 1.00 0.00 C ATOM 77 C SER A 6 8.872 -11.270 -7.608 1.00 0.00 C ATOM 78 O SER A 6 7.728 -11.056 -8.007 1.00 0.00 O ATOM 79 CB SER A 6 10.284 -13.319 -7.944 1.00 0.00 C ATOM 80 OG SER A 6 9.764 -14.497 -8.554 1.00 0.00 O ATOM 0 H SER A 6 7.722 -13.875 -7.754 1.00 0.00 H new ATOM 0 HA SER A 6 9.703 -12.502 -6.057 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.605 -12.621 -8.718 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.167 -13.574 -7.359 1.00 0.00 H new ATOM 0 HG SER A 6 10.451 -14.901 -9.124 1.00 0.00 H new ATOM 85 N PRO A 7 9.877 -10.354 -7.626 1.00 0.00 N ATOM 86 CA PRO A 7 9.658 -9.012 -8.139 1.00 0.00 C ATOM 87 C PRO A 7 9.585 -9.014 -9.668 1.00 0.00 C ATOM 88 O PRO A 7 10.039 -9.957 -10.313 1.00 0.00 O ATOM 89 CB PRO A 7 10.819 -8.191 -7.601 1.00 0.00 C ATOM 90 CG PRO A 7 11.887 -9.195 -7.198 1.00 0.00 C ATOM 91 CD PRO A 7 11.244 -10.572 -7.163 1.00 0.00 C ATOM 0 HA PRO A 7 8.706 -8.589 -7.818 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.195 -7.503 -8.358 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.509 -7.587 -6.748 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.714 -9.178 -7.908 1.00 0.00 H new ATOM 0 HG3 PRO A 7 12.300 -8.942 -6.222 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.774 -11.273 -7.808 1.00 0.00 H new ATOM 0 HD3 PRO A 7 11.259 -10.991 -6.157 1.00 0.00 H new ATOM 96 N HIS A 8 9.010 -7.946 -10.201 1.00 0.00 N ATOM 97 CA HIS A 8 8.871 -7.812 -11.641 1.00 0.00 C ATOM 98 C HIS A 8 7.574 -8.486 -12.097 1.00 0.00 C ATOM 99 O HIS A 8 6.834 -7.930 -12.906 1.00 0.00 O ATOM 100 CB HIS A 8 10.107 -8.359 -12.359 1.00 0.00 C ATOM 101 CG HIS A 8 10.498 -7.578 -13.591 1.00 0.00 C ATOM 102 ND1 HIS A 8 11.450 -8.023 -14.491 1.00 0.00 N ATOM 103 CD2 HIS A 8 10.054 -6.377 -14.061 1.00 0.00 C ATOM 104 CE1 HIS A 8 11.569 -7.122 -15.455 1.00 0.00 C ATOM 105 NE2 HIS A 8 10.703 -6.103 -15.187 1.00 0.00 N ATOM 0 H HIS A 8 8.635 -7.166 -9.662 1.00 0.00 H new ATOM 0 HA HIS A 8 8.804 -6.757 -11.907 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.946 -8.364 -11.663 1.00 0.00 H new ATOM 0 HB3 HIS A 8 9.921 -9.395 -12.642 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.303 -5.755 -13.597 1.00 0.00 H new ATOM 0 HE1 HIS A 8 12.234 -7.184 -16.303 1.00 0.00 H new ATOM 0 HE2 HIS A 8 10.575 -5.267 -15.758 1.00 0.00 H new ATOM 112 N ASP A 9 7.340 -9.672 -11.556 1.00 0.00 N ATOM 113 CA ASP A 9 6.146 -10.428 -11.897 1.00 0.00 C ATOM 114 C ASP A 9 4.930 -9.774 -11.239 1.00 0.00 C ATOM 115 O ASP A 9 3.859 -9.699 -11.840 1.00 0.00 O ATOM 116 CB ASP A 9 6.242 -11.868 -11.389 1.00 0.00 C ATOM 117 CG ASP A 9 6.988 -12.832 -12.314 1.00 0.00 C ATOM 118 OD1 ASP A 9 8.089 -13.302 -11.991 1.00 0.00 O ATOM 119 OD2 ASP A 9 6.386 -13.099 -13.423 1.00 0.00 O ATOM 0 H ASP A 9 7.957 -10.129 -10.884 1.00 0.00 H new ATOM 0 HA ASP A 9 6.049 -10.435 -12.983 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.738 -11.863 -10.418 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.233 -12.249 -11.229 1.00 0.00 H new ATOM 124 N ALA A 10 5.135 -9.317 -10.012 1.00 0.00 N ATOM 125 CA ALA A 10 4.069 -8.671 -9.265 1.00 0.00 C ATOM 126 C ALA A 10 3.739 -7.327 -9.915 1.00 0.00 C ATOM 127 O ALA A 10 2.570 -6.973 -10.060 1.00 0.00 O ATOM 128 CB ALA A 10 4.486 -8.526 -7.800 1.00 0.00 C ATOM 0 H ALA A 10 6.024 -9.381 -9.516 1.00 0.00 H new ATOM 0 HA ALA A 10 3.164 -9.277 -9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.686 -8.041 -7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.679 -9.512 -7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.391 -7.921 -7.737 1.00 0.00 H new ATOM 134 N GLN A 11 4.790 -6.612 -10.288 1.00 0.00 N ATOM 135 CA GLN A 11 4.628 -5.314 -10.919 1.00 0.00 C ATOM 136 C GLN A 11 3.629 -5.406 -12.073 1.00 0.00 C ATOM 137 O GLN A 11 3.071 -4.395 -12.500 1.00 0.00 O ATOM 138 CB GLN A 11 5.973 -4.765 -11.399 1.00 0.00 C ATOM 139 CG GLN A 11 5.777 -3.536 -12.290 1.00 0.00 C ATOM 140 CD GLN A 11 7.123 -2.924 -12.684 1.00 0.00 C ATOM 141 OE1 GLN A 11 7.502 -1.853 -12.239 1.00 0.00 O ATOM 142 NE2 GLN A 11 7.823 -3.662 -13.542 1.00 0.00 N ATOM 0 H GLN A 11 5.758 -6.908 -10.165 1.00 0.00 H new ATOM 0 HA GLN A 11 4.234 -4.618 -10.178 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.590 -4.501 -10.540 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.509 -5.537 -11.951 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.225 -3.817 -13.187 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.176 -2.794 -11.765 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.448 -4.550 -13.876 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.735 -3.340 -13.866 1.00 0.00 H new ATOM 149 N GLU A 12 3.433 -6.627 -12.549 1.00 0.00 N ATOM 150 CA GLU A 12 2.511 -6.864 -13.646 1.00 0.00 C ATOM 151 C GLU A 12 1.090 -7.056 -13.114 1.00 0.00 C ATOM 152 O GLU A 12 0.227 -6.203 -13.315 1.00 0.00 O ATOM 153 CB GLU A 12 2.951 -8.068 -14.482 1.00 0.00 C ATOM 154 CG GLU A 12 3.080 -7.693 -15.959 1.00 0.00 C ATOM 155 CD GLU A 12 2.607 -8.837 -16.859 1.00 0.00 C ATOM 156 OE1 GLU A 12 3.398 -9.373 -17.648 1.00 0.00 O ATOM 157 OE2 GLU A 12 1.368 -9.167 -16.715 1.00 0.00 O ATOM 0 H GLU A 12 3.898 -7.463 -12.194 1.00 0.00 H new ATOM 0 HA GLU A 12 2.519 -5.989 -14.296 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.906 -8.441 -14.113 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.228 -8.876 -14.370 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.492 -6.798 -16.163 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.118 -7.451 -16.187 1.00 0.00 H new ATOM 163 N LEU A 13 0.890 -8.182 -12.445 1.00 0.00 N ATOM 164 CA LEU A 13 -0.412 -8.497 -11.882 1.00 0.00 C ATOM 165 C LEU A 13 -0.986 -7.250 -11.206 1.00 0.00 C ATOM 166 O LEU A 13 -2.152 -6.914 -11.405 1.00 0.00 O ATOM 167 CB LEU A 13 -0.315 -9.709 -10.954 1.00 0.00 C ATOM 168 CG LEU A 13 0.777 -9.650 -9.883 1.00 0.00 C ATOM 169 CD1 LEU A 13 0.187 -9.279 -8.521 1.00 0.00 C ATOM 170 CD2 LEU A 13 1.564 -10.960 -9.830 1.00 0.00 C ATOM 0 H LEU A 13 1.608 -8.888 -12.280 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.109 -8.782 -12.670 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.276 -9.839 -10.457 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.149 -10.597 -11.565 1.00 0.00 H new ATOM 0 HG LEU A 13 1.481 -8.863 -10.154 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.983 -9.244 -7.777 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.293 -8.302 -8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.550 -10.026 -8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.333 -10.891 -9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.888 -11.782 -9.594 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.033 -11.142 -10.797 1.00 0.00 H new ATOM 181 N ILE A 14 -0.140 -6.598 -10.422 1.00 0.00 N ATOM 182 CA ILE A 14 -0.548 -5.395 -9.716 1.00 0.00 C ATOM 183 C ILE A 14 -1.126 -4.394 -10.717 1.00 0.00 C ATOM 184 O ILE A 14 -2.071 -3.672 -10.403 1.00 0.00 O ATOM 185 CB ILE A 14 0.613 -4.840 -8.889 1.00 0.00 C ATOM 186 CG1 ILE A 14 0.382 -5.071 -7.395 1.00 0.00 C ATOM 187 CG2 ILE A 14 0.856 -3.363 -9.209 1.00 0.00 C ATOM 188 CD1 ILE A 14 1.661 -5.564 -6.713 1.00 0.00 C ATOM 0 H ILE A 14 0.827 -6.880 -10.260 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.338 -5.621 -9.000 1.00 0.00 H new ATOM 0 HB ILE A 14 1.518 -5.383 -9.163 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.050 -4.144 -6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.414 -5.802 -7.255 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.686 -2.992 -8.608 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.097 -3.255 -10.267 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.042 -2.789 -8.981 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.470 -5.721 -5.651 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.977 -6.503 -7.167 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.448 -4.820 -6.834 1.00 0.00 H new ATOM 199 N ALA A 15 -0.535 -4.381 -11.902 1.00 0.00 N ATOM 200 CA ALA A 15 -0.978 -3.480 -12.951 1.00 0.00 C ATOM 201 C ALA A 15 -2.121 -4.133 -13.731 1.00 0.00 C ATOM 202 O ALA A 15 -2.530 -3.633 -14.777 1.00 0.00 O ATOM 203 CB ALA A 15 0.207 -3.117 -13.849 1.00 0.00 C ATOM 0 H ALA A 15 0.248 -4.981 -12.159 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.358 -2.553 -12.523 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.127 -2.441 -14.636 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.978 -2.628 -13.254 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.614 -4.023 -14.298 1.00 0.00 H new ATOM 209 N ARG A 16 -2.605 -5.243 -13.190 1.00 0.00 N ATOM 210 CA ARG A 16 -3.692 -5.971 -13.821 1.00 0.00 C ATOM 211 C ARG A 16 -4.965 -5.857 -12.980 1.00 0.00 C ATOM 212 O ARG A 16 -6.068 -5.802 -13.522 1.00 0.00 O ATOM 213 CB ARG A 16 -3.336 -7.448 -13.999 1.00 0.00 C ATOM 214 CG ARG A 16 -2.067 -7.609 -14.839 1.00 0.00 C ATOM 215 CD ARG A 16 -2.392 -7.570 -16.334 1.00 0.00 C ATOM 216 NE ARG A 16 -1.366 -8.317 -17.095 1.00 0.00 N ATOM 217 CZ ARG A 16 -1.417 -8.531 -18.427 1.00 0.00 C ATOM 218 NH1 ARG A 16 -2.447 -8.057 -19.158 1.00 0.00 N ATOM 219 NH2 ARG A 16 -0.445 -9.213 -19.003 1.00 0.00 N ATOM 0 H ARG A 16 -2.263 -5.655 -12.322 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.861 -5.530 -14.803 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.191 -7.911 -13.023 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.163 -7.970 -14.480 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.362 -6.814 -14.595 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.581 -8.553 -14.593 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.376 -8.004 -16.512 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.432 -6.537 -16.679 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.570 -8.694 -16.581 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.195 -7.532 -18.705 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.478 -8.223 -20.164 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.329 -9.569 -18.443 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.468 -9.384 -20.008 1.00 0.00 H new ATOM 229 N GLY A 17 -4.770 -5.826 -11.670 1.00 0.00 N ATOM 230 CA GLY A 17 -5.888 -5.721 -10.749 1.00 0.00 C ATOM 231 C GLY A 17 -5.538 -6.326 -9.388 1.00 0.00 C ATOM 232 O GLY A 17 -6.152 -5.989 -8.378 1.00 0.00 O ATOM 0 H GLY A 17 -3.854 -5.872 -11.225 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.164 -4.674 -10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.756 -6.232 -11.166 1.00 0.00 H new ATOM 236 N ALA A 18 -4.550 -7.210 -9.406 1.00 0.00 N ATOM 237 CA ALA A 18 -4.111 -7.865 -8.187 1.00 0.00 C ATOM 238 C ALA A 18 -4.112 -6.852 -7.040 1.00 0.00 C ATOM 239 O ALA A 18 -3.247 -5.980 -6.975 1.00 0.00 O ATOM 240 CB ALA A 18 -2.731 -8.489 -8.411 1.00 0.00 C ATOM 0 H ALA A 18 -4.042 -7.487 -10.246 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.794 -8.670 -7.917 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.401 -8.981 -7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.789 -9.222 -9.216 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.019 -7.709 -8.681 1.00 0.00 H new ATOM 246 N LYS A 19 -5.094 -7.001 -6.162 1.00 0.00 N ATOM 247 CA LYS A 19 -5.219 -6.111 -5.021 1.00 0.00 C ATOM 248 C LYS A 19 -4.244 -6.550 -3.927 1.00 0.00 C ATOM 249 O LYS A 19 -4.349 -7.658 -3.406 1.00 0.00 O ATOM 250 CB LYS A 19 -6.675 -6.039 -4.555 1.00 0.00 C ATOM 251 CG LYS A 19 -7.470 -5.037 -5.394 1.00 0.00 C ATOM 252 CD LYS A 19 -6.934 -3.617 -5.208 1.00 0.00 C ATOM 253 CE LYS A 19 -6.617 -2.969 -6.558 1.00 0.00 C ATOM 254 NZ LYS A 19 -7.075 -1.561 -6.576 1.00 0.00 N ATOM 0 H LYS A 19 -5.810 -7.725 -6.219 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.947 -5.093 -5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.133 -7.025 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.711 -5.749 -3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.415 -5.315 -6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.522 -5.073 -5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.669 -3.014 -4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.035 -3.642 -4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.544 -3.011 -6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.103 -3.526 -7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.853 -1.135 -7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.102 -1.528 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.592 -1.029 -5.824 1.00 0.00 H new ATOM 263 N LEU A 20 -3.317 -5.656 -3.611 1.00 0.00 N ATOM 264 CA LEU A 20 -2.324 -5.938 -2.589 1.00 0.00 C ATOM 265 C LEU A 20 -2.755 -5.287 -1.274 1.00 0.00 C ATOM 266 O LEU A 20 -3.281 -4.175 -1.270 1.00 0.00 O ATOM 267 CB LEU A 20 -0.933 -5.509 -3.061 1.00 0.00 C ATOM 268 CG LEU A 20 0.095 -5.238 -1.960 1.00 0.00 C ATOM 269 CD1 LEU A 20 1.474 -4.955 -2.556 1.00 0.00 C ATOM 270 CD2 LEU A 20 -0.374 -4.111 -1.038 1.00 0.00 C ATOM 0 H LEU A 20 -3.233 -4.737 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.257 -7.011 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.538 -6.285 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.038 -4.606 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 20 0.187 -6.136 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.186 -4.766 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.803 -5.817 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.418 -4.081 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.374 -3.938 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.512 -3.199 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.319 -4.391 -0.572 1.00 0.00 H new ATOM 281 N ILE A 21 -2.517 -6.008 -0.187 1.00 0.00 N ATOM 282 CA ILE A 21 -2.873 -5.514 1.131 1.00 0.00 C ATOM 283 C ILE A 21 -1.606 -5.375 1.979 1.00 0.00 C ATOM 284 O ILE A 21 -0.823 -6.317 2.089 1.00 0.00 O ATOM 285 CB ILE A 21 -3.942 -6.406 1.766 1.00 0.00 C ATOM 286 CG1 ILE A 21 -5.082 -6.680 0.783 1.00 0.00 C ATOM 287 CG2 ILE A 21 -4.449 -5.805 3.079 1.00 0.00 C ATOM 288 CD1 ILE A 21 -5.550 -5.386 0.113 1.00 0.00 C ATOM 0 H ILE A 21 -2.082 -6.930 -0.193 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.319 -4.522 1.058 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.486 -7.367 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.750 -7.388 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.917 -7.144 1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.208 -6.459 3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.618 -5.704 3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.882 -4.824 2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.361 -5.608 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.904 -4.690 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.719 -4.937 -0.431 1.00 0.00 H new ATOM 299 N ASP A 22 -1.446 -4.193 2.555 1.00 0.00 N ATOM 300 CA ASP A 22 -0.288 -3.918 3.389 1.00 0.00 C ATOM 301 C ASP A 22 -0.670 -4.097 4.860 1.00 0.00 C ATOM 302 O ASP A 22 -1.276 -3.211 5.459 1.00 0.00 O ATOM 303 CB ASP A 22 0.199 -2.481 3.199 1.00 0.00 C ATOM 304 CG ASP A 22 -0.199 -1.833 1.870 1.00 0.00 C ATOM 305 OD1 ASP A 22 -1.364 -1.900 1.451 1.00 0.00 O ATOM 306 OD2 ASP A 22 0.758 -1.233 1.248 1.00 0.00 O ATOM 0 H ASP A 22 -2.099 -3.415 2.461 1.00 0.00 H new ATOM 0 HA ASP A 22 0.505 -4.608 3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.190 -1.871 4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.286 -2.468 3.281 1.00 0.00 H new ATOM 311 N ILE A 23 -0.300 -5.249 5.398 1.00 0.00 N ATOM 312 CA ILE A 23 -0.596 -5.555 6.788 1.00 0.00 C ATOM 313 C ILE A 23 0.664 -5.352 7.631 1.00 0.00 C ATOM 314 O ILE A 23 1.015 -6.205 8.445 1.00 0.00 O ATOM 315 CB ILE A 23 -1.199 -6.956 6.912 1.00 0.00 C ATOM 316 CG1 ILE A 23 -0.116 -8.032 6.795 1.00 0.00 C ATOM 317 CG2 ILE A 23 -2.322 -7.162 5.892 1.00 0.00 C ATOM 318 CD1 ILE A 23 0.011 -8.824 8.098 1.00 0.00 C ATOM 0 H ILE A 23 0.202 -5.982 4.897 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.352 -4.872 7.175 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.642 -7.050 7.904 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.358 -8.709 5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.840 -7.567 6.553 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.733 -8.165 6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.108 -6.427 6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.925 -7.041 4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.787 -9.582 7.989 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.276 -8.148 8.911 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.939 -9.307 8.324 1.00 0.00 H new ATOM 329 N ARG A 24 1.311 -4.217 7.406 1.00 0.00 N ATOM 330 CA ARG A 24 2.525 -3.891 8.134 1.00 0.00 C ATOM 331 C ARG A 24 2.273 -2.721 9.087 1.00 0.00 C ATOM 332 O ARG A 24 2.635 -2.783 10.261 1.00 0.00 O ATOM 333 CB ARG A 24 3.661 -3.526 7.177 1.00 0.00 C ATOM 334 CG ARG A 24 3.129 -3.284 5.763 1.00 0.00 C ATOM 335 CD ARG A 24 2.511 -1.889 5.642 1.00 0.00 C ATOM 336 NE ARG A 24 2.919 -1.264 4.363 1.00 0.00 N ATOM 337 CZ ARG A 24 2.210 -0.307 3.728 1.00 0.00 C ATOM 338 NH1 ARG A 24 1.049 0.145 4.249 1.00 0.00 N ATOM 339 NH2 ARG A 24 2.668 0.180 2.590 1.00 0.00 N ATOM 0 H ARG A 24 1.017 -3.512 6.730 1.00 0.00 H new ATOM 0 HA ARG A 24 2.817 -4.773 8.704 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.171 -2.632 7.536 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.399 -4.328 7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.940 -3.390 5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.382 -4.039 5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.424 -1.958 5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.830 -1.267 6.478 1.00 0.00 H new ATOM 0 HE ARG A 24 3.791 -1.576 3.935 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.702 -0.237 5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.519 0.868 3.763 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.546 -0.167 2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.144 0.904 2.097 1.00 0.00 H new ATOM 349 N ASP A 25 1.656 -1.681 8.546 1.00 0.00 N ATOM 350 CA ASP A 25 1.353 -0.498 9.334 1.00 0.00 C ATOM 351 C ASP A 25 0.612 0.516 8.459 1.00 0.00 C ATOM 352 O ASP A 25 0.335 0.247 7.291 1.00 0.00 O ATOM 353 CB ASP A 25 2.632 0.165 9.847 1.00 0.00 C ATOM 354 CG ASP A 25 2.889 0.003 11.346 1.00 0.00 C ATOM 355 OD1 ASP A 25 3.700 -0.834 11.768 1.00 0.00 O ATOM 356 OD2 ASP A 25 2.206 0.792 12.104 1.00 0.00 O ATOM 0 H ASP A 25 1.358 -1.633 7.572 1.00 0.00 H new ATOM 0 HA ASP A 25 0.742 -0.805 10.183 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.481 -0.248 9.302 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.590 1.229 9.614 1.00 0.00 H new ATOM 361 N ALA A 26 0.312 1.658 9.058 1.00 0.00 N ATOM 362 CA ALA A 26 -0.391 2.713 8.348 1.00 0.00 C ATOM 363 C ALA A 26 0.482 3.971 8.316 1.00 0.00 C ATOM 364 O ALA A 26 0.217 4.894 7.549 1.00 0.00 O ATOM 365 CB ALA A 26 -1.746 2.961 9.013 1.00 0.00 C ATOM 0 H ALA A 26 0.543 1.876 10.027 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.583 2.419 7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.273 3.752 8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.339 2.047 8.984 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.593 3.261 10.050 1.00 0.00 H new ATOM 371 N ASP A 27 1.505 3.963 9.157 1.00 0.00 N ATOM 372 CA ASP A 27 2.419 5.091 9.235 1.00 0.00 C ATOM 373 C ASP A 27 3.310 5.105 7.992 1.00 0.00 C ATOM 374 O ASP A 27 3.340 6.091 7.257 1.00 0.00 O ATOM 375 CB ASP A 27 3.322 4.984 10.465 1.00 0.00 C ATOM 376 CG ASP A 27 3.219 6.153 11.447 1.00 0.00 C ATOM 377 OD1 ASP A 27 3.915 7.170 11.303 1.00 0.00 O ATOM 378 OD2 ASP A 27 2.372 5.988 12.405 1.00 0.00 O ATOM 0 H ASP A 27 1.722 3.194 9.791 1.00 0.00 H new ATOM 0 HA ASP A 27 1.826 6.003 9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.081 4.062 10.995 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.356 4.899 10.131 1.00 0.00 H new ATOM 383 N GLU A 28 4.015 4.001 7.797 1.00 0.00 N ATOM 384 CA GLU A 28 4.906 3.874 6.655 1.00 0.00 C ATOM 385 C GLU A 28 4.191 4.308 5.374 1.00 0.00 C ATOM 386 O GLU A 28 4.836 4.688 4.397 1.00 0.00 O ATOM 387 CB GLU A 28 5.438 2.445 6.530 1.00 0.00 C ATOM 388 CG GLU A 28 4.291 1.432 6.533 1.00 0.00 C ATOM 389 CD GLU A 28 4.823 0.003 6.664 1.00 0.00 C ATOM 390 OE1 GLU A 28 4.937 -0.711 5.658 1.00 0.00 O ATOM 391 OE2 GLU A 28 5.124 -0.358 7.865 1.00 0.00 O ATOM 0 H GLU A 28 3.988 3.186 8.410 1.00 0.00 H new ATOM 0 HA GLU A 28 5.761 4.531 6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.013 2.346 5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.118 2.233 7.355 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.612 1.648 7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.715 1.527 5.613 1.00 0.00 H new ATOM 397 N TYR A 29 2.870 4.237 5.418 1.00 0.00 N ATOM 398 CA TYR A 29 2.060 4.618 4.273 1.00 0.00 C ATOM 399 C TYR A 29 2.014 6.138 4.115 1.00 0.00 C ATOM 400 O TYR A 29 1.800 6.646 3.015 1.00 0.00 O ATOM 401 CB TYR A 29 0.649 4.103 4.564 1.00 0.00 C ATOM 402 CG TYR A 29 -0.218 3.923 3.316 1.00 0.00 C ATOM 403 CD1 TYR A 29 0.094 2.945 2.394 1.00 0.00 C ATOM 404 CD2 TYR A 29 -1.311 4.741 3.112 1.00 0.00 C ATOM 405 CE1 TYR A 29 -0.722 2.776 1.219 1.00 0.00 C ATOM 406 CE2 TYR A 29 -2.127 4.572 1.937 1.00 0.00 C ATOM 407 CZ TYR A 29 -1.792 3.598 1.049 1.00 0.00 C ATOM 408 OH TYR A 29 -2.563 3.439 -0.060 1.00 0.00 O ATOM 0 H TYR A 29 2.339 3.921 6.229 1.00 0.00 H new ATOM 0 HA TYR A 29 2.475 4.203 3.355 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.722 3.148 5.084 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.152 4.798 5.242 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.950 2.306 2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.554 5.507 3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.489 2.014 0.490 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.985 5.204 1.765 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.292 4.094 -0.048 1.00 0.00 H new ATOM 417 N LEU A 30 2.217 6.823 5.231 1.00 0.00 N ATOM 418 CA LEU A 30 2.202 8.276 5.230 1.00 0.00 C ATOM 419 C LEU A 30 3.319 8.794 4.322 1.00 0.00 C ATOM 420 O LEU A 30 3.088 9.664 3.483 1.00 0.00 O ATOM 421 CB LEU A 30 2.273 8.813 6.661 1.00 0.00 C ATOM 422 CG LEU A 30 3.439 9.756 6.966 1.00 0.00 C ATOM 423 CD1 LEU A 30 4.749 8.981 7.108 1.00 0.00 C ATOM 424 CD2 LEU A 30 3.539 10.862 5.913 1.00 0.00 C ATOM 0 H LEU A 30 2.393 6.399 6.142 1.00 0.00 H new ATOM 0 HA LEU A 30 1.262 8.647 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.342 9.336 6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.329 7.965 7.344 1.00 0.00 H new ATOM 0 HG LEU A 30 3.246 10.239 7.924 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.561 9.675 7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.660 8.262 7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.962 8.453 6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.375 11.518 6.153 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.698 10.416 4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.615 11.440 5.904 1.00 0.00 H new ATOM 435 N ARG A 31 4.504 8.237 4.521 1.00 0.00 N ATOM 436 CA ARG A 31 5.658 8.632 3.730 1.00 0.00 C ATOM 437 C ARG A 31 5.729 7.805 2.445 1.00 0.00 C ATOM 438 O ARG A 31 5.587 8.342 1.347 1.00 0.00 O ATOM 439 CB ARG A 31 6.955 8.448 4.520 1.00 0.00 C ATOM 440 CG ARG A 31 7.449 9.783 5.082 1.00 0.00 C ATOM 441 CD ARG A 31 8.926 10.004 4.754 1.00 0.00 C ATOM 442 NE ARG A 31 9.701 10.186 6.002 1.00 0.00 N ATOM 443 CZ ARG A 31 10.876 10.847 6.073 1.00 0.00 C ATOM 444 NH1 ARG A 31 11.423 11.395 4.968 1.00 0.00 N ATOM 445 NH2 ARG A 31 11.482 10.949 7.241 1.00 0.00 N ATOM 0 H ARG A 31 4.691 7.516 5.218 1.00 0.00 H new ATOM 0 HA ARG A 31 5.544 9.687 3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.791 7.744 5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.720 8.016 3.875 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.855 10.598 4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.306 9.802 6.162 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.314 9.152 4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.038 10.881 4.116 1.00 0.00 H new ATOM 0 HE ARG A 31 9.324 9.787 6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.948 11.312 4.069 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.311 11.893 5.032 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.062 10.532 8.072 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.370 11.445 7.313 1.00 0.00 H new ATOM 455 N GLU A 32 5.950 6.510 2.624 1.00 0.00 N ATOM 456 CA GLU A 32 6.041 5.603 1.493 1.00 0.00 C ATOM 457 C GLU A 32 4.718 4.861 1.299 1.00 0.00 C ATOM 458 O GLU A 32 3.727 5.165 1.962 1.00 0.00 O ATOM 459 CB GLU A 32 7.201 4.621 1.671 1.00 0.00 C ATOM 460 CG GLU A 32 8.544 5.306 1.417 1.00 0.00 C ATOM 461 CD GLU A 32 9.428 5.257 2.666 1.00 0.00 C ATOM 462 OE1 GLU A 32 10.418 4.510 2.696 1.00 0.00 O ATOM 463 OE2 GLU A 32 9.057 6.033 3.628 1.00 0.00 O ATOM 0 H GLU A 32 6.069 6.068 3.536 1.00 0.00 H new ATOM 0 HA GLU A 32 6.239 6.190 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.183 4.211 2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.081 3.783 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.054 4.818 0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.378 6.343 1.125 1.00 0.00 H new ATOM 469 N HIS A 33 4.743 3.899 0.387 1.00 0.00 N ATOM 470 CA HIS A 33 3.557 3.111 0.098 1.00 0.00 C ATOM 471 C HIS A 33 3.971 1.743 -0.448 1.00 0.00 C ATOM 472 O HIS A 33 4.636 0.971 0.242 1.00 0.00 O ATOM 473 CB HIS A 33 2.620 3.866 -0.846 1.00 0.00 C ATOM 474 CG HIS A 33 2.179 5.215 -0.326 1.00 0.00 C ATOM 475 ND1 HIS A 33 2.889 6.357 -0.099 1.00 0.00 N flip ATOM 476 CD2 HIS A 33 0.869 5.491 0.024 1.00 0.00 C flip ATOM 477 CE1 HIS A 33 2.057 7.283 0.362 1.00 0.00 C flip ATOM 478 NE2 HIS A 33 0.805 6.748 0.439 1.00 0.00 N flip ATOM 0 H HIS A 33 5.566 3.648 -0.161 1.00 0.00 H new ATOM 0 HA HIS A 33 2.995 2.943 1.017 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.120 4.004 -1.805 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.738 3.254 -1.032 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.041 4.800 -0.032 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.327 8.293 0.632 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.034 7.231 0.760 1.00 0.00 H new ATOM 485 N ILE A 34 3.562 1.484 -1.681 1.00 0.00 N ATOM 486 CA ILE A 34 3.882 0.224 -2.328 1.00 0.00 C ATOM 487 C ILE A 34 3.239 0.188 -3.715 1.00 0.00 C ATOM 488 O ILE A 34 2.440 1.060 -4.056 1.00 0.00 O ATOM 489 CB ILE A 34 3.482 -0.953 -1.433 1.00 0.00 C ATOM 490 CG1 ILE A 34 4.671 -1.884 -1.189 1.00 0.00 C ATOM 491 CG2 ILE A 34 2.280 -1.699 -2.016 1.00 0.00 C ATOM 492 CD1 ILE A 34 4.215 -3.341 -1.087 1.00 0.00 C ATOM 0 H ILE A 34 3.011 2.127 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 34 4.958 0.134 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 34 3.178 -0.559 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.391 -1.781 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.182 -1.594 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.016 -2.530 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.433 -1.017 -2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.534 -2.082 -3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.080 -3.982 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.514 -3.446 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.726 -3.635 -2.016 1.00 0.00 H new ATOM 503 N PRO A 35 3.620 -0.856 -4.499 1.00 0.00 N ATOM 504 CA PRO A 35 3.089 -1.016 -5.841 1.00 0.00 C ATOM 505 C PRO A 35 1.646 -1.526 -5.804 1.00 0.00 C ATOM 506 O PRO A 35 1.406 -2.727 -5.920 1.00 0.00 O ATOM 507 CB PRO A 35 4.042 -1.980 -6.530 1.00 0.00 C ATOM 508 CG PRO A 35 4.801 -2.683 -5.415 1.00 0.00 C ATOM 509 CD PRO A 35 4.563 -1.907 -4.129 1.00 0.00 C ATOM 0 HA PRO A 35 3.034 -0.073 -6.386 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.497 -2.697 -7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.725 -1.448 -7.192 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.458 -3.712 -5.309 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.866 -2.724 -5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.154 -2.549 -3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.492 -1.487 -3.742 1.00 0.00 H new ATOM 514 N GLU A 36 0.726 -0.588 -5.642 1.00 0.00 N ATOM 515 CA GLU A 36 -0.686 -0.927 -5.587 1.00 0.00 C ATOM 516 C GLU A 36 -1.068 -1.382 -4.177 1.00 0.00 C ATOM 517 O GLU A 36 -1.015 -2.572 -3.868 1.00 0.00 O ATOM 518 CB GLU A 36 -1.033 -2.001 -6.622 1.00 0.00 C ATOM 519 CG GLU A 36 -2.215 -1.564 -7.489 1.00 0.00 C ATOM 520 CD GLU A 36 -3.302 -2.641 -7.518 1.00 0.00 C ATOM 521 OE1 GLU A 36 -3.361 -3.485 -6.612 1.00 0.00 O ATOM 522 OE2 GLU A 36 -4.103 -2.580 -8.527 1.00 0.00 O ATOM 0 H GLU A 36 0.930 0.407 -5.547 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.263 -0.035 -5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.166 -2.196 -7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.275 -2.935 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.630 -0.634 -7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.871 -1.362 -8.503 1.00 0.00 H new ATOM 528 N ALA A 37 -1.447 -0.411 -3.359 1.00 0.00 N ATOM 529 CA ALA A 37 -1.838 -0.696 -1.989 1.00 0.00 C ATOM 530 C ALA A 37 -3.049 0.163 -1.620 1.00 0.00 C ATOM 531 O ALA A 37 -3.350 1.143 -2.300 1.00 0.00 O ATOM 532 CB ALA A 37 -0.649 -0.457 -1.058 1.00 0.00 C ATOM 0 H ALA A 37 -1.492 0.574 -3.619 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.130 -1.741 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.943 -0.671 -0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.174 -1.112 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.330 0.582 -1.135 1.00 0.00 H new ATOM 538 N ASP A 38 -3.712 -0.235 -0.544 1.00 0.00 N ATOM 539 CA ASP A 38 -4.883 0.486 -0.076 1.00 0.00 C ATOM 540 C ASP A 38 -4.793 0.669 1.440 1.00 0.00 C ATOM 541 O ASP A 38 -5.777 1.026 2.087 1.00 0.00 O ATOM 542 CB ASP A 38 -6.166 -0.289 -0.382 1.00 0.00 C ATOM 543 CG ASP A 38 -7.239 0.506 -1.129 1.00 0.00 C ATOM 544 OD1 ASP A 38 -7.205 0.622 -2.363 1.00 0.00 O ATOM 545 OD2 ASP A 38 -8.152 1.025 -0.380 1.00 0.00 O ATOM 0 H ASP A 38 -3.460 -1.048 0.017 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.912 1.448 -0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.909 -1.168 -0.973 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.588 -0.648 0.557 1.00 0.00 H new ATOM 550 N LEU A 39 -3.602 0.416 1.965 1.00 0.00 N ATOM 551 CA LEU A 39 -3.370 0.548 3.393 1.00 0.00 C ATOM 552 C LEU A 39 -4.365 -0.332 4.151 1.00 0.00 C ATOM 553 O LEU A 39 -5.563 -0.052 4.164 1.00 0.00 O ATOM 554 CB LEU A 39 -3.412 2.020 3.809 1.00 0.00 C ATOM 555 CG LEU A 39 -3.295 2.297 5.309 1.00 0.00 C ATOM 556 CD1 LEU A 39 -2.325 1.319 5.973 1.00 0.00 C ATOM 557 CD2 LEU A 39 -2.907 3.754 5.568 1.00 0.00 C ATOM 0 H LEU A 39 -2.788 0.120 1.426 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.371 0.195 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.604 2.544 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.347 2.451 3.452 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.273 2.138 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.260 1.538 7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.684 0.299 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.338 1.422 5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.830 3.925 6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.946 3.964 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.667 4.413 5.149 1.00 0.00 H new ATOM 568 N ALA A 40 -3.832 -1.380 4.764 1.00 0.00 N ATOM 569 CA ALA A 40 -4.658 -2.304 5.522 1.00 0.00 C ATOM 570 C ALA A 40 -3.782 -3.068 6.515 1.00 0.00 C ATOM 571 O ALA A 40 -3.309 -4.164 6.216 1.00 0.00 O ATOM 572 CB ALA A 40 -5.399 -3.235 4.559 1.00 0.00 C ATOM 0 H ALA A 40 -2.838 -1.609 4.751 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.411 -1.764 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.019 -3.928 5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.031 -2.644 3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.676 -3.796 3.967 1.00 0.00 H new ATOM 578 N PRO A 41 -3.585 -2.444 7.707 1.00 0.00 N ATOM 579 CA PRO A 41 -2.772 -3.054 8.746 1.00 0.00 C ATOM 580 C PRO A 41 -3.525 -4.197 9.430 1.00 0.00 C ATOM 581 O PRO A 41 -4.718 -4.082 9.705 1.00 0.00 O ATOM 582 CB PRO A 41 -2.429 -1.918 9.695 1.00 0.00 C ATOM 583 CG PRO A 41 -3.438 -0.817 9.410 1.00 0.00 C ATOM 584 CD PRO A 41 -4.127 -1.146 8.096 1.00 0.00 C ATOM 0 HA PRO A 41 -1.865 -3.515 8.354 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.490 -2.245 10.733 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.410 -1.566 9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.167 -0.749 10.217 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.940 0.151 9.348 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.209 -1.189 8.217 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.920 -0.388 7.340 1.00 0.00 H new ATOM 589 N LEU A 42 -2.796 -5.275 9.683 1.00 0.00 N ATOM 590 CA LEU A 42 -3.380 -6.438 10.329 1.00 0.00 C ATOM 591 C LEU A 42 -4.260 -5.981 11.494 1.00 0.00 C ATOM 592 O LEU A 42 -5.230 -6.651 11.844 1.00 0.00 O ATOM 593 CB LEU A 42 -2.288 -7.429 10.736 1.00 0.00 C ATOM 594 CG LEU A 42 -2.753 -8.858 11.024 1.00 0.00 C ATOM 595 CD1 LEU A 42 -3.491 -9.447 9.821 1.00 0.00 C ATOM 596 CD2 LEU A 42 -1.581 -9.737 11.466 1.00 0.00 C ATOM 0 H LEU A 42 -1.807 -5.367 9.452 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.025 -6.976 9.634 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.542 -7.464 9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.789 -7.044 11.625 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.462 -8.827 11.852 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.811 -10.463 10.052 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.364 -8.835 9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.825 -9.464 8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.939 -10.747 11.664 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.830 -9.766 10.676 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.138 -9.324 12.372 1.00 0.00 H new ATOM 607 N SER A 43 -3.891 -4.843 12.063 1.00 0.00 N ATOM 608 CA SER A 43 -4.634 -4.288 13.180 1.00 0.00 C ATOM 609 C SER A 43 -6.110 -4.137 12.805 1.00 0.00 C ATOM 610 O SER A 43 -6.988 -4.284 13.652 1.00 0.00 O ATOM 611 CB SER A 43 -4.056 -2.939 13.613 1.00 0.00 C ATOM 612 OG SER A 43 -2.855 -3.089 14.365 1.00 0.00 O ATOM 0 H SER A 43 -3.086 -4.290 11.770 1.00 0.00 H new ATOM 0 HA SER A 43 -4.548 -4.976 14.021 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.858 -2.330 12.731 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.794 -2.404 14.211 1.00 0.00 H new ATOM 0 HG SER A 43 -2.517 -2.206 14.621 1.00 0.00 H new ATOM 617 N VAL A 44 -6.336 -3.845 11.532 1.00 0.00 N ATOM 618 CA VAL A 44 -7.690 -3.673 11.033 1.00 0.00 C ATOM 619 C VAL A 44 -8.247 -5.031 10.604 1.00 0.00 C ATOM 620 O VAL A 44 -9.373 -5.382 10.954 1.00 0.00 O ATOM 621 CB VAL A 44 -7.704 -2.637 9.906 1.00 0.00 C ATOM 622 CG1 VAL A 44 -6.629 -1.572 10.127 1.00 0.00 C ATOM 623 CG2 VAL A 44 -7.538 -3.310 8.543 1.00 0.00 C ATOM 0 H VAL A 44 -5.604 -3.723 10.832 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.341 -3.289 11.818 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.674 -2.140 9.919 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.661 -0.849 9.312 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.811 -1.062 11.073 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.648 -2.046 10.154 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.551 -2.553 7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.589 -3.845 8.515 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.356 -4.013 8.382 1.00 0.00 H new ATOM 633 N LEU A 45 -7.434 -5.758 9.853 1.00 0.00 N ATOM 634 CA LEU A 45 -7.832 -7.071 9.373 1.00 0.00 C ATOM 635 C LEU A 45 -8.555 -7.822 10.493 1.00 0.00 C ATOM 636 O LEU A 45 -9.680 -8.284 10.310 1.00 0.00 O ATOM 637 CB LEU A 45 -6.625 -7.823 8.807 1.00 0.00 C ATOM 638 CG LEU A 45 -6.137 -7.368 7.431 1.00 0.00 C ATOM 639 CD1 LEU A 45 -6.843 -8.141 6.315 1.00 0.00 C ATOM 640 CD2 LEU A 45 -6.290 -5.855 7.267 1.00 0.00 C ATOM 0 H LEU A 45 -6.501 -5.463 9.565 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.536 -6.977 8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.800 -7.729 9.513 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.876 -8.882 8.750 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.073 -7.593 7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.477 -7.798 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.637 -9.206 6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.918 -7.971 6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.936 -5.558 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.340 -5.582 7.373 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.704 -5.345 8.031 1.00 0.00 H new ATOM 651 N GLU A 46 -7.879 -7.920 11.628 1.00 0.00 N ATOM 652 CA GLU A 46 -8.442 -8.607 12.778 1.00 0.00 C ATOM 653 C GLU A 46 -9.761 -7.952 13.193 1.00 0.00 C ATOM 654 O GLU A 46 -10.687 -8.635 13.627 1.00 0.00 O ATOM 655 CB GLU A 46 -7.451 -8.630 13.943 1.00 0.00 C ATOM 656 CG GLU A 46 -6.749 -9.986 14.039 1.00 0.00 C ATOM 657 CD GLU A 46 -6.695 -10.475 15.487 1.00 0.00 C ATOM 658 OE1 GLU A 46 -7.611 -10.188 16.272 1.00 0.00 O ATOM 659 OE2 GLU A 46 -5.656 -11.178 15.787 1.00 0.00 O ATOM 0 H GLU A 46 -6.946 -7.535 11.776 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.644 -9.640 12.496 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.710 -7.842 13.810 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.975 -8.421 14.875 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.276 -10.716 13.424 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.737 -9.905 13.641 1.00 0.00 H new ATOM 665 N GLN A 47 -9.804 -6.636 13.044 1.00 0.00 N ATOM 666 CA GLN A 47 -10.994 -5.882 13.398 1.00 0.00 C ATOM 667 C GLN A 47 -12.083 -6.079 12.342 1.00 0.00 C ATOM 668 O GLN A 47 -13.271 -5.989 12.645 1.00 0.00 O ATOM 669 CB GLN A 47 -10.669 -4.397 13.578 1.00 0.00 C ATOM 670 CG GLN A 47 -10.584 -4.030 15.061 1.00 0.00 C ATOM 671 CD GLN A 47 -11.960 -3.645 15.611 1.00 0.00 C ATOM 672 OE1 GLN A 47 -12.994 -3.997 15.069 1.00 0.00 O ATOM 673 NE2 GLN A 47 -11.913 -2.902 16.713 1.00 0.00 N ATOM 0 H GLN A 47 -9.034 -6.073 12.683 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.367 -6.258 14.351 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.723 -4.166 13.088 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.435 -3.792 13.093 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.186 -4.873 15.626 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.890 -3.200 15.195 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.012 -2.643 17.115 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.778 -2.592 17.156 1.00 0.00 H new ATOM 680 N SER A 48 -11.637 -6.347 11.123 1.00 0.00 N ATOM 681 CA SER A 48 -12.559 -6.559 10.019 1.00 0.00 C ATOM 682 C SER A 48 -12.049 -7.689 9.122 1.00 0.00 C ATOM 683 O SER A 48 -12.620 -8.778 9.105 1.00 0.00 O ATOM 684 CB SER A 48 -12.747 -5.278 9.205 1.00 0.00 C ATOM 685 OG SER A 48 -14.049 -5.195 8.633 1.00 0.00 O ATOM 0 H SER A 48 -10.650 -6.422 10.876 1.00 0.00 H new ATOM 0 HA SER A 48 -13.528 -6.840 10.431 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.577 -4.413 9.846 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.000 -5.239 8.412 1.00 0.00 H new ATOM 0 HG SER A 48 -14.130 -4.362 8.123 1.00 0.00 H new ATOM 690 N GLY A 49 -10.980 -7.390 8.398 1.00 0.00 N ATOM 691 CA GLY A 49 -10.388 -8.366 7.500 1.00 0.00 C ATOM 692 C GLY A 49 -10.368 -7.847 6.061 1.00 0.00 C ATOM 693 O GLY A 49 -10.672 -6.681 5.814 1.00 0.00 O ATOM 0 H GLY A 49 -10.509 -6.485 8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.372 -8.593 7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.952 -9.297 7.546 1.00 0.00 H new ATOM 697 N LEU A 50 -10.007 -8.737 5.150 1.00 0.00 N ATOM 698 CA LEU A 50 -9.943 -8.384 3.741 1.00 0.00 C ATOM 699 C LEU A 50 -11.115 -7.461 3.398 1.00 0.00 C ATOM 700 O LEU A 50 -12.274 -7.834 3.573 1.00 0.00 O ATOM 701 CB LEU A 50 -9.878 -9.643 2.875 1.00 0.00 C ATOM 702 CG LEU A 50 -10.889 -9.723 1.729 1.00 0.00 C ATOM 703 CD1 LEU A 50 -10.609 -8.650 0.675 1.00 0.00 C ATOM 704 CD2 LEU A 50 -10.922 -11.126 1.123 1.00 0.00 C ATOM 0 H LEU A 50 -9.755 -9.703 5.359 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.028 -7.832 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.875 -9.719 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.020 -10.511 3.519 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.881 -9.525 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.342 -8.729 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.678 -7.663 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.608 -8.792 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.649 -11.155 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.935 -11.378 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.206 -11.847 1.890 1.00 0.00 H new ATOM 715 N PRO A 51 -10.762 -6.244 2.905 1.00 0.00 N ATOM 716 CA PRO A 51 -11.770 -5.266 2.535 1.00 0.00 C ATOM 717 C PRO A 51 -12.446 -5.645 1.215 1.00 0.00 C ATOM 718 O PRO A 51 -11.860 -6.352 0.396 1.00 0.00 O ATOM 719 CB PRO A 51 -11.028 -3.942 2.464 1.00 0.00 C ATOM 720 CG PRO A 51 -9.555 -4.298 2.338 1.00 0.00 C ATOM 721 CD PRO A 51 -9.399 -5.770 2.685 1.00 0.00 C ATOM 0 HA PRO A 51 -12.586 -5.211 3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.362 -3.352 1.610 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.211 -3.343 3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.201 -4.105 1.325 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.955 -3.682 3.008 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.914 -6.318 1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.784 -5.904 3.575 1.00 0.00 H new ATOM 726 N ALA A 52 -13.666 -5.158 1.051 1.00 0.00 N ATOM 727 CA ALA A 52 -14.426 -5.436 -0.156 1.00 0.00 C ATOM 728 C ALA A 52 -13.709 -4.821 -1.360 1.00 0.00 C ATOM 729 O ALA A 52 -13.371 -5.524 -2.311 1.00 0.00 O ATOM 730 CB ALA A 52 -15.853 -4.907 0.005 1.00 0.00 C ATOM 0 H ALA A 52 -14.148 -4.573 1.733 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.494 -6.510 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.423 -5.116 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.329 -5.397 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.825 -3.831 0.176 1.00 0.00 H new ATOM 736 N LYS A 53 -13.499 -3.516 -1.278 1.00 0.00 N ATOM 737 CA LYS A 53 -12.828 -2.798 -2.349 1.00 0.00 C ATOM 738 C LYS A 53 -11.641 -3.626 -2.847 1.00 0.00 C ATOM 739 O LYS A 53 -11.512 -3.873 -4.045 1.00 0.00 O ATOM 740 CB LYS A 53 -12.446 -1.389 -1.891 1.00 0.00 C ATOM 741 CG LYS A 53 -11.885 -1.407 -0.468 1.00 0.00 C ATOM 742 CD LYS A 53 -12.669 -0.460 0.443 1.00 0.00 C ATOM 743 CE LYS A 53 -11.786 0.068 1.575 1.00 0.00 C ATOM 744 NZ LYS A 53 -12.147 -0.576 2.858 1.00 0.00 N ATOM 0 H LYS A 53 -13.781 -2.937 -0.487 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.500 -2.662 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.705 -0.970 -2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.321 -0.740 -1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.929 -2.420 -0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.835 -1.116 -0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.056 0.375 -0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.530 -0.982 0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.738 -0.125 1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.900 1.149 1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.364 -0.467 3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.002 -0.127 3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.329 -1.588 2.700 1.00 0.00 H new ATOM 753 N LEU A 54 -10.806 -4.032 -1.902 1.00 0.00 N ATOM 754 CA LEU A 54 -9.635 -4.827 -2.230 1.00 0.00 C ATOM 755 C LEU A 54 -9.951 -6.308 -2.010 1.00 0.00 C ATOM 756 O LEU A 54 -9.205 -7.011 -1.332 1.00 0.00 O ATOM 757 CB LEU A 54 -8.417 -4.336 -1.445 1.00 0.00 C ATOM 758 CG LEU A 54 -8.227 -2.818 -1.382 1.00 0.00 C ATOM 759 CD1 LEU A 54 -9.021 -2.121 -2.488 1.00 0.00 C ATOM 760 CD2 LEU A 54 -8.581 -2.279 0.005 1.00 0.00 C ATOM 0 H LEU A 54 -10.917 -3.825 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.377 -4.708 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.489 -4.716 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.523 -4.776 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.174 -2.597 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.869 -1.044 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.679 -2.476 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.081 -2.346 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.437 -1.199 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.622 -2.511 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.936 -2.743 0.751 1.00 0.00 H new ATOM 771 N ARG A 55 -11.059 -6.737 -2.596 1.00 0.00 N ATOM 772 CA ARG A 55 -11.483 -8.121 -2.473 1.00 0.00 C ATOM 773 C ARG A 55 -11.367 -8.834 -3.822 1.00 0.00 C ATOM 774 O ARG A 55 -11.864 -9.947 -3.984 1.00 0.00 O ATOM 775 CB ARG A 55 -12.929 -8.212 -1.979 1.00 0.00 C ATOM 776 CG ARG A 55 -13.915 -7.970 -3.123 1.00 0.00 C ATOM 777 CD ARG A 55 -14.694 -9.245 -3.453 1.00 0.00 C ATOM 778 NE ARG A 55 -15.853 -8.921 -4.317 1.00 0.00 N ATOM 779 CZ ARG A 55 -16.479 -9.816 -5.111 1.00 0.00 C ATOM 780 NH1 ARG A 55 -16.062 -11.100 -5.157 1.00 0.00 N ATOM 781 NH2 ARG A 55 -17.503 -9.417 -5.841 1.00 0.00 N ATOM 0 H ARG A 55 -11.676 -6.150 -3.157 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.831 -8.604 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.107 -9.195 -1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.094 -7.478 -1.190 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.609 -7.176 -2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.376 -7.630 -4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.043 -9.959 -3.957 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.037 -9.720 -2.534 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.200 -7.962 -4.312 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.269 -11.399 -4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.540 -11.770 -5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.811 -8.445 -5.800 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.987 -10.080 -6.446 1.00 0.00 H new ATOM 791 N HIS A 56 -10.707 -8.163 -4.754 1.00 0.00 N ATOM 792 CA HIS A 56 -10.519 -8.718 -6.084 1.00 0.00 C ATOM 793 C HIS A 56 -10.267 -10.224 -5.981 1.00 0.00 C ATOM 794 O HIS A 56 -9.648 -10.689 -5.025 1.00 0.00 O ATOM 795 CB HIS A 56 -9.404 -7.981 -6.828 1.00 0.00 C ATOM 796 CG HIS A 56 -9.340 -8.294 -8.304 1.00 0.00 C ATOM 797 ND1 HIS A 56 -10.382 -8.023 -9.174 1.00 0.00 N ATOM 798 CD2 HIS A 56 -8.348 -8.855 -9.054 1.00 0.00 C ATOM 799 CE1 HIS A 56 -10.023 -8.409 -10.390 1.00 0.00 C ATOM 800 NE2 HIS A 56 -8.763 -8.925 -10.313 1.00 0.00 N ATOM 0 H HIS A 56 -10.296 -7.240 -4.615 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.425 -8.575 -6.672 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.544 -6.908 -6.700 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.447 -8.234 -6.371 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.388 -9.186 -8.686 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.623 -8.329 -11.285 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.227 -9.303 -11.095 1.00 0.00 H new ATOM 807 N GLU A 57 -10.762 -10.944 -6.976 1.00 0.00 N ATOM 808 CA GLU A 57 -10.598 -12.387 -7.009 1.00 0.00 C ATOM 809 C GLU A 57 -9.201 -12.775 -6.522 1.00 0.00 C ATOM 810 O GLU A 57 -9.047 -13.726 -5.757 1.00 0.00 O ATOM 811 CB GLU A 57 -10.862 -12.938 -8.412 1.00 0.00 C ATOM 812 CG GLU A 57 -11.097 -14.449 -8.374 1.00 0.00 C ATOM 813 CD GLU A 57 -12.504 -14.797 -8.863 1.00 0.00 C ATOM 814 OE1 GLU A 57 -12.934 -14.304 -9.917 1.00 0.00 O ATOM 815 OE2 GLU A 57 -13.158 -15.613 -8.108 1.00 0.00 O ATOM 0 H GLU A 57 -11.277 -10.555 -7.766 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.332 -12.831 -6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.732 -12.442 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.014 -12.715 -9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.357 -14.952 -8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.960 -14.817 -7.357 1.00 0.00 H new ATOM 821 N GLN A 58 -8.217 -12.018 -6.986 1.00 0.00 N ATOM 822 CA GLN A 58 -6.837 -12.270 -6.607 1.00 0.00 C ATOM 823 C GLN A 58 -6.236 -11.033 -5.935 1.00 0.00 C ATOM 824 O GLN A 58 -6.192 -9.959 -6.531 1.00 0.00 O ATOM 825 CB GLN A 58 -6.005 -12.695 -7.818 1.00 0.00 C ATOM 826 CG GLN A 58 -6.170 -14.190 -8.100 1.00 0.00 C ATOM 827 CD GLN A 58 -6.554 -14.432 -9.561 1.00 0.00 C ATOM 828 OE1 GLN A 58 -7.713 -14.601 -9.904 1.00 0.00 O ATOM 829 NE2 GLN A 58 -5.522 -14.441 -10.398 1.00 0.00 N ATOM 0 H GLN A 58 -8.348 -11.230 -7.621 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.822 -13.091 -5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.310 -12.121 -8.693 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.954 -12.469 -7.639 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.240 -14.711 -7.873 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.936 -14.605 -7.445 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.577 -14.293 -10.044 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.675 -14.596 -11.394 1.00 0.00 H new ATOM 836 N ILE A 59 -5.791 -11.227 -4.702 1.00 0.00 N ATOM 837 CA ILE A 59 -5.195 -10.141 -3.943 1.00 0.00 C ATOM 838 C ILE A 59 -3.743 -10.492 -3.611 1.00 0.00 C ATOM 839 O ILE A 59 -3.206 -11.474 -4.122 1.00 0.00 O ATOM 840 CB ILE A 59 -6.046 -9.816 -2.714 1.00 0.00 C ATOM 841 CG1 ILE A 59 -5.714 -10.757 -1.553 1.00 0.00 C ATOM 842 CG2 ILE A 59 -7.536 -9.835 -3.059 1.00 0.00 C ATOM 843 CD1 ILE A 59 -6.026 -10.098 -0.208 1.00 0.00 C ATOM 0 H ILE A 59 -5.831 -12.120 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.174 -9.228 -4.538 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.804 -8.804 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.287 -11.679 -1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.660 -11.031 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.119 -9.601 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.740 -9.093 -3.831 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.812 -10.824 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.781 -10.787 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.433 -9.189 -0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.086 -9.847 -0.163 1.00 0.00 H new ATOM 854 N ILE A 60 -3.150 -9.671 -2.757 1.00 0.00 N ATOM 855 CA ILE A 60 -1.771 -9.883 -2.351 1.00 0.00 C ATOM 856 C ILE A 60 -1.559 -9.294 -0.954 1.00 0.00 C ATOM 857 O ILE A 60 -2.365 -8.490 -0.487 1.00 0.00 O ATOM 858 CB ILE A 60 -0.810 -9.329 -3.405 1.00 0.00 C ATOM 859 CG1 ILE A 60 -0.908 -10.124 -4.708 1.00 0.00 C ATOM 860 CG2 ILE A 60 0.622 -9.280 -2.869 1.00 0.00 C ATOM 861 CD1 ILE A 60 0.366 -9.971 -5.541 1.00 0.00 C ATOM 0 H ILE A 60 -3.599 -8.858 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.553 -10.949 -2.285 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.104 -8.304 -3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.076 -11.177 -4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.767 -9.780 -5.284 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.285 -8.883 -3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.660 -8.637 -1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.943 -10.285 -2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.270 -10.546 -6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.518 -8.919 -5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.220 -10.338 -4.971 1.00 0.00 H new ATOM 872 N PHE A 61 -0.471 -9.716 -0.328 1.00 0.00 N ATOM 873 CA PHE A 61 -0.143 -9.240 1.006 1.00 0.00 C ATOM 874 C PHE A 61 1.341 -8.883 1.111 1.00 0.00 C ATOM 875 O PHE A 61 2.112 -9.140 0.187 1.00 0.00 O ATOM 876 CB PHE A 61 -0.451 -10.382 1.976 1.00 0.00 C ATOM 877 CG PHE A 61 -1.925 -10.481 2.374 1.00 0.00 C ATOM 878 CD1 PHE A 61 -2.576 -9.385 2.848 1.00 0.00 C ATOM 879 CD2 PHE A 61 -2.584 -11.665 2.253 1.00 0.00 C ATOM 880 CE1 PHE A 61 -3.944 -9.477 3.217 1.00 0.00 C ATOM 881 CE2 PHE A 61 -3.951 -11.756 2.622 1.00 0.00 C ATOM 882 CZ PHE A 61 -4.604 -10.661 3.096 1.00 0.00 C ATOM 0 H PHE A 61 0.195 -10.382 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.721 -8.345 1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.144 -11.324 1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.150 -10.252 2.876 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.053 -8.445 2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.067 -12.535 1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.461 -8.607 3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.474 -12.696 2.526 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.645 -10.731 3.376 1.00 0.00 H new ATOM 891 N HIS A 62 1.697 -8.296 2.243 1.00 0.00 N ATOM 892 CA HIS A 62 3.075 -7.901 2.481 1.00 0.00 C ATOM 893 C HIS A 62 3.192 -7.255 3.863 1.00 0.00 C ATOM 894 O HIS A 62 2.185 -6.899 4.474 1.00 0.00 O ATOM 895 CB HIS A 62 3.581 -6.995 1.358 1.00 0.00 C ATOM 896 CG HIS A 62 3.611 -5.528 1.717 1.00 0.00 C ATOM 897 ND1 HIS A 62 4.737 -4.902 2.221 1.00 0.00 N ATOM 898 CD2 HIS A 62 2.641 -4.572 1.640 1.00 0.00 C ATOM 899 CE1 HIS A 62 4.447 -3.627 2.435 1.00 0.00 C ATOM 900 NE2 HIS A 62 3.147 -3.425 2.074 1.00 0.00 N ATOM 0 H HIS A 62 1.055 -8.084 3.007 1.00 0.00 H new ATOM 0 HA HIS A 62 3.717 -8.782 2.475 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.586 -7.310 1.076 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.947 -7.131 0.482 1.00 0.00 H new ATOM 0 HD1 HIS A 62 5.638 -5.347 2.398 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.632 -4.723 1.286 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.121 -2.879 2.826 1.00 0.00 H new ATOM 907 N CYS A 63 4.431 -7.121 4.315 1.00 0.00 N ATOM 908 CA CYS A 63 4.693 -6.523 5.613 1.00 0.00 C ATOM 909 C CYS A 63 6.191 -6.638 5.902 1.00 0.00 C ATOM 910 O CYS A 63 6.813 -7.648 5.575 1.00 0.00 O ATOM 911 CB CYS A 63 3.848 -7.167 6.714 1.00 0.00 C ATOM 912 SG CYS A 63 4.542 -6.757 8.357 1.00 0.00 S ATOM 0 H CYS A 63 5.264 -7.416 3.805 1.00 0.00 H new ATOM 0 HA CYS A 63 4.407 -5.471 5.595 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.819 -6.815 6.647 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.824 -8.248 6.580 1.00 0.00 H new ATOM 0 HG CYS A 63 3.816 -7.307 9.284 1.00 0.00 H new ATOM 986 N THR A 69 5.712 -11.896 6.652 1.00 0.00 N ATOM 987 CA THR A 69 4.362 -12.182 6.197 1.00 0.00 C ATOM 988 C THR A 69 4.093 -13.687 6.242 1.00 0.00 C ATOM 989 O THR A 69 3.098 -14.127 6.817 1.00 0.00 O ATOM 990 CB THR A 69 4.194 -11.577 4.803 1.00 0.00 C ATOM 991 OG1 THR A 69 5.092 -10.469 4.795 1.00 0.00 O ATOM 992 CG2 THR A 69 2.817 -10.941 4.603 1.00 0.00 C ATOM 0 HA THR A 69 3.619 -11.730 6.854 1.00 0.00 H new ATOM 0 HB THR A 69 4.350 -12.350 4.051 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.885 -10.687 5.328 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.750 -10.527 3.597 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.044 -11.698 4.736 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.674 -10.145 5.334 1.00 0.00 H new ATOM 1000 N SER A 70 4.998 -14.437 5.630 1.00 0.00 N ATOM 1001 CA SER A 70 4.870 -15.884 5.592 1.00 0.00 C ATOM 1002 C SER A 70 4.776 -16.438 7.015 1.00 0.00 C ATOM 1003 O SER A 70 4.303 -17.555 7.221 1.00 0.00 O ATOM 1004 CB SER A 70 6.046 -16.522 4.850 1.00 0.00 C ATOM 1005 OG SER A 70 5.612 -17.418 3.832 1.00 0.00 O ATOM 0 H SER A 70 5.823 -14.069 5.156 1.00 0.00 H new ATOM 0 HA SER A 70 3.957 -16.133 5.051 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.662 -15.740 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.675 -17.058 5.561 1.00 0.00 H new ATOM 0 HG SER A 70 6.392 -17.803 3.381 1.00 0.00 H new ATOM 1010 N ASN A 71 5.236 -15.632 7.961 1.00 0.00 N ATOM 1011 CA ASN A 71 5.210 -16.028 9.359 1.00 0.00 C ATOM 1012 C ASN A 71 3.758 -16.205 9.808 1.00 0.00 C ATOM 1013 O ASN A 71 3.433 -17.166 10.503 1.00 0.00 O ATOM 1014 CB ASN A 71 5.851 -14.958 10.246 1.00 0.00 C ATOM 1015 CG ASN A 71 7.281 -15.348 10.628 1.00 0.00 C ATOM 1016 OD1 ASN A 71 7.827 -16.336 10.167 1.00 0.00 O ATOM 1017 ND2 ASN A 71 7.854 -14.518 11.495 1.00 0.00 N ATOM 0 H ASN A 71 5.629 -14.707 7.787 1.00 0.00 H new ATOM 0 HA ASN A 71 5.768 -16.960 9.456 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.858 -14.002 9.722 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.254 -14.822 11.148 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.808 -14.691 11.813 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.340 -13.708 11.842 1.00 0.00 H new ATOM 1023 N ASN A 72 2.925 -15.264 9.391 1.00 0.00 N ATOM 1024 CA ASN A 72 1.515 -15.305 9.740 1.00 0.00 C ATOM 1025 C ASN A 72 0.674 -15.242 8.464 1.00 0.00 C ATOM 1026 O ASN A 72 -0.411 -14.662 8.457 1.00 0.00 O ATOM 1027 CB ASN A 72 1.130 -14.112 10.618 1.00 0.00 C ATOM 1028 CG ASN A 72 2.222 -13.815 11.648 1.00 0.00 C ATOM 1029 OD1 ASN A 72 2.752 -14.900 12.203 1.00 0.00 O flip ATOM 1030 ND2 ASN A 72 2.560 -12.675 11.920 1.00 0.00 N flip ATOM 0 H ASN A 72 3.199 -14.468 8.815 1.00 0.00 H new ATOM 0 HA ASN A 72 1.331 -16.230 10.286 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.966 -13.234 9.993 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.190 -14.320 11.129 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.111 -11.885 11.456 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.292 -12.511 12.612 1.00 0.00 H new ATOM 1036 N ALA A 73 1.207 -15.848 7.413 1.00 0.00 N ATOM 1037 CA ALA A 73 0.519 -15.869 6.132 1.00 0.00 C ATOM 1038 C ALA A 73 -0.479 -17.029 6.113 1.00 0.00 C ATOM 1039 O ALA A 73 -1.169 -17.242 5.118 1.00 0.00 O ATOM 1040 CB ALA A 73 1.547 -15.965 5.003 1.00 0.00 C ATOM 0 H ALA A 73 2.107 -16.328 7.422 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.044 -14.948 5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.032 -15.981 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.213 -15.103 5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.129 -16.879 5.118 1.00 0.00 H new ATOM 1046 N ASP A 74 -0.522 -17.749 7.225 1.00 0.00 N ATOM 1047 CA ASP A 74 -1.424 -18.881 7.348 1.00 0.00 C ATOM 1048 C ASP A 74 -2.854 -18.371 7.542 1.00 0.00 C ATOM 1049 O ASP A 74 -3.802 -18.959 7.025 1.00 0.00 O ATOM 1050 CB ASP A 74 -1.061 -19.745 8.558 1.00 0.00 C ATOM 1051 CG ASP A 74 -0.551 -21.147 8.221 1.00 0.00 C ATOM 1052 OD1 ASP A 74 0.586 -21.511 8.557 1.00 0.00 O ATOM 1053 OD2 ASP A 74 -1.386 -21.892 7.579 1.00 0.00 O ATOM 0 H ASP A 74 0.053 -17.570 8.048 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.341 -19.478 6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.298 -19.227 9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.940 -19.838 9.196 1.00 0.00 H new ATOM 1058 N LYS A 75 -2.962 -17.282 8.288 1.00 0.00 N ATOM 1059 CA LYS A 75 -4.260 -16.686 8.557 1.00 0.00 C ATOM 1060 C LYS A 75 -4.595 -15.683 7.451 1.00 0.00 C ATOM 1061 O LYS A 75 -5.687 -15.719 6.885 1.00 0.00 O ATOM 1062 CB LYS A 75 -4.293 -16.085 9.963 1.00 0.00 C ATOM 1063 CG LYS A 75 -5.322 -16.799 10.842 1.00 0.00 C ATOM 1064 CD LYS A 75 -6.704 -16.787 10.186 1.00 0.00 C ATOM 1065 CE LYS A 75 -7.371 -18.160 10.291 1.00 0.00 C ATOM 1066 NZ LYS A 75 -8.831 -18.013 10.495 1.00 0.00 N ATOM 0 H LYS A 75 -2.173 -16.797 8.715 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.039 -17.448 8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.305 -16.162 10.418 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.535 -15.024 9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.006 -17.828 11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.373 -16.313 11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.332 -16.036 10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.611 -16.503 9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.180 -18.734 9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.937 -18.720 11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.268 -18.954 10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.007 -17.484 11.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.244 -17.498 9.691 1.00 0.00 H new ATOM 1075 N LEU A 76 -3.635 -14.811 7.177 1.00 0.00 N ATOM 1076 CA LEU A 76 -3.814 -13.800 6.149 1.00 0.00 C ATOM 1077 C LEU A 76 -4.471 -14.437 4.923 1.00 0.00 C ATOM 1078 O LEU A 76 -5.328 -13.826 4.286 1.00 0.00 O ATOM 1079 CB LEU A 76 -2.487 -13.105 5.844 1.00 0.00 C ATOM 1080 CG LEU A 76 -1.976 -12.136 6.914 1.00 0.00 C ATOM 1081 CD1 LEU A 76 -0.459 -11.963 6.816 1.00 0.00 C ATOM 1082 CD2 LEU A 76 -2.711 -10.797 6.836 1.00 0.00 C ATOM 0 H LEU A 76 -2.731 -14.784 7.649 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.485 -13.015 6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.728 -13.870 5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.593 -12.558 4.907 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.189 -12.564 7.893 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.121 -11.270 7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.027 -12.928 6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.201 -11.567 5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.329 -10.127 7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.550 -10.350 5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.778 -10.958 6.991 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.044 -15.655 4.628 1.00 0.00 N ATOM 1094 CA ALA A 77 -4.579 -16.382 3.489 1.00 0.00 C ATOM 1095 C ALA A 77 -6.033 -16.765 3.771 1.00 0.00 C ATOM 1096 O ALA A 77 -6.893 -16.634 2.903 1.00 0.00 O ATOM 1097 CB ALA A 77 -3.700 -17.601 3.202 1.00 0.00 C ATOM 0 H ALA A 77 -3.333 -16.158 5.158 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.570 -15.757 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.102 -18.146 2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.685 -17.273 2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.687 -18.254 4.075 1.00 0.00 H new ATOM 1103 N ALA A 78 -6.262 -17.231 4.991 1.00 0.00 N ATOM 1104 CA ALA A 78 -7.598 -17.635 5.398 1.00 0.00 C ATOM 1105 C ALA A 78 -8.466 -16.389 5.588 1.00 0.00 C ATOM 1106 O ALA A 78 -9.683 -16.493 5.735 1.00 0.00 O ATOM 1107 CB ALA A 78 -7.509 -18.482 6.668 1.00 0.00 C ATOM 0 H ALA A 78 -5.546 -17.338 5.710 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.066 -18.249 4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.510 -18.785 6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.905 -19.368 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.048 -17.897 7.464 1.00 0.00 H new ATOM 1113 N ILE A 79 -7.807 -15.240 5.579 1.00 0.00 N ATOM 1114 CA ILE A 79 -8.503 -13.976 5.749 1.00 0.00 C ATOM 1115 C ILE A 79 -8.975 -13.472 4.383 1.00 0.00 C ATOM 1116 O ILE A 79 -10.154 -13.172 4.202 1.00 0.00 O ATOM 1117 CB ILE A 79 -7.625 -12.977 6.502 1.00 0.00 C ATOM 1118 CG1 ILE A 79 -7.895 -13.035 8.008 1.00 0.00 C ATOM 1119 CG2 ILE A 79 -7.798 -11.564 5.944 1.00 0.00 C ATOM 1120 CD1 ILE A 79 -6.787 -12.329 8.792 1.00 0.00 C ATOM 0 H ILE A 79 -6.798 -15.158 5.457 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.392 -14.111 6.365 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.583 -13.258 6.350 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.855 -12.567 8.227 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.966 -14.074 8.328 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.162 -10.874 6.498 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.516 -11.552 4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -8.839 -11.258 6.045 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.004 -12.385 9.859 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.832 -12.814 8.590 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.735 -11.284 8.487 1.00 0.00 H new ATOM 1131 N ALA A 80 -8.030 -13.395 3.457 1.00 0.00 N ATOM 1132 CA ALA A 80 -8.335 -12.932 2.114 1.00 0.00 C ATOM 1133 C ALA A 80 -9.012 -14.059 1.332 1.00 0.00 C ATOM 1134 O ALA A 80 -9.710 -13.807 0.352 1.00 0.00 O ATOM 1135 CB ALA A 80 -7.052 -12.444 1.439 1.00 0.00 C ATOM 0 H ALA A 80 -7.053 -13.645 3.610 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.027 -12.091 2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.280 -12.097 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.626 -11.624 2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.334 -13.263 1.386 1.00 0.00 H new ATOM 1141 N ALA A 81 -8.782 -15.279 1.796 1.00 0.00 N ATOM 1142 CA ALA A 81 -9.363 -16.446 1.153 1.00 0.00 C ATOM 1143 C ALA A 81 -10.855 -16.204 0.919 1.00 0.00 C ATOM 1144 O ALA A 81 -11.445 -15.308 1.519 1.00 0.00 O ATOM 1145 CB ALA A 81 -9.100 -17.685 2.011 1.00 0.00 C ATOM 0 H ALA A 81 -8.202 -15.485 2.609 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.901 -16.619 0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.536 -18.560 1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.025 -17.829 2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.552 -17.550 2.994 1.00 0.00 H new ATOM 1151 N PRO A 82 -11.438 -17.042 0.019 1.00 0.00 N ATOM 1152 CA PRO A 82 -10.667 -18.076 -0.649 1.00 0.00 C ATOM 1153 C PRO A 82 -9.772 -17.478 -1.735 1.00 0.00 C ATOM 1154 O PRO A 82 -8.883 -18.154 -2.253 1.00 0.00 O ATOM 1155 CB PRO A 82 -11.702 -19.044 -1.199 1.00 0.00 C ATOM 1156 CG PRO A 82 -13.016 -18.280 -1.224 1.00 0.00 C ATOM 1157 CD PRO A 82 -12.841 -17.025 -0.384 1.00 0.00 C ATOM 0 HA PRO A 82 -9.979 -18.588 0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.428 -19.382 -2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.778 -19.932 -0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.287 -18.020 -2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.823 -18.896 -0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -13.078 -16.129 -0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -13.502 -17.033 0.483 1.00 0.00 H new ATOM 1162 N ALA A 83 -10.035 -16.218 -2.048 1.00 0.00 N ATOM 1163 CA ALA A 83 -9.264 -15.521 -3.063 1.00 0.00 C ATOM 1164 C ALA A 83 -7.798 -15.945 -2.963 1.00 0.00 C ATOM 1165 O ALA A 83 -7.336 -16.350 -1.897 1.00 0.00 O ATOM 1166 CB ALA A 83 -9.448 -14.012 -2.897 1.00 0.00 C ATOM 0 H ALA A 83 -10.772 -15.661 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.616 -15.784 -4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.870 -13.489 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.503 -13.760 -3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.103 -13.710 -1.908 1.00 0.00 H new ATOM 1172 N GLU A 84 -7.105 -15.837 -4.088 1.00 0.00 N ATOM 1173 CA GLU A 84 -5.701 -16.204 -4.140 1.00 0.00 C ATOM 1174 C GLU A 84 -4.842 -15.107 -3.505 1.00 0.00 C ATOM 1175 O GLU A 84 -5.035 -13.924 -3.782 1.00 0.00 O ATOM 1176 CB GLU A 84 -5.259 -16.482 -5.578 1.00 0.00 C ATOM 1177 CG GLU A 84 -5.638 -17.902 -6.003 1.00 0.00 C ATOM 1178 CD GLU A 84 -4.562 -18.905 -5.584 1.00 0.00 C ATOM 1179 OE1 GLU A 84 -3.450 -18.501 -5.209 1.00 0.00 O ATOM 1180 OE2 GLU A 84 -4.913 -20.144 -5.656 1.00 0.00 O ATOM 0 H GLU A 84 -7.491 -15.500 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.565 -17.122 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.723 -15.761 -6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.181 -16.349 -5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.592 -18.178 -5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.773 -17.938 -7.084 1.00 0.00 H new ATOM 1186 N ILE A 85 -3.911 -15.540 -2.666 1.00 0.00 N ATOM 1187 CA ILE A 85 -3.023 -14.610 -1.991 1.00 0.00 C ATOM 1188 C ILE A 85 -1.588 -14.845 -2.467 1.00 0.00 C ATOM 1189 O ILE A 85 -1.283 -15.893 -3.035 1.00 0.00 O ATOM 1190 CB ILE A 85 -3.192 -14.715 -0.473 1.00 0.00 C ATOM 1191 CG1 ILE A 85 -4.394 -13.897 0.002 1.00 0.00 C ATOM 1192 CG2 ILE A 85 -1.904 -14.317 0.250 1.00 0.00 C ATOM 1193 CD1 ILE A 85 -5.628 -14.188 -0.853 1.00 0.00 C ATOM 0 H ILE A 85 -3.753 -16.522 -2.439 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.280 -13.582 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.393 -15.756 -0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.607 -14.130 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.157 -12.834 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.051 -14.400 1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.094 -14.979 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.648 -13.288 -0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.468 -13.593 -0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.420 -13.931 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.877 -15.247 -0.784 1.00 0.00 H new ATOM 1204 N PHE A 86 -0.746 -13.853 -2.219 1.00 0.00 N ATOM 1205 CA PHE A 86 0.649 -13.937 -2.616 1.00 0.00 C ATOM 1206 C PHE A 86 1.526 -13.051 -1.729 1.00 0.00 C ATOM 1207 O PHE A 86 1.059 -12.049 -1.192 1.00 0.00 O ATOM 1208 CB PHE A 86 0.735 -13.439 -4.059 1.00 0.00 C ATOM 1209 CG PHE A 86 -0.106 -14.248 -5.049 1.00 0.00 C ATOM 1210 CD1 PHE A 86 0.422 -15.349 -5.650 1.00 0.00 C ATOM 1211 CD2 PHE A 86 -1.383 -13.869 -5.327 1.00 0.00 C ATOM 1212 CE1 PHE A 86 -0.359 -16.100 -6.568 1.00 0.00 C ATOM 1213 CE2 PHE A 86 -2.163 -14.620 -6.245 1.00 0.00 C ATOM 1214 CZ PHE A 86 -1.635 -15.720 -6.846 1.00 0.00 C ATOM 0 H PHE A 86 -1.003 -12.986 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 86 1.002 -14.964 -2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.415 -12.398 -4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.777 -13.463 -4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.435 -15.652 -5.429 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.803 -12.996 -4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.060 -16.973 -7.046 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.176 -14.318 -6.466 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.229 -16.292 -7.544 1.00 0.00 H new ATOM 1223 N LEU A 87 2.783 -13.453 -1.605 1.00 0.00 N ATOM 1224 CA LEU A 87 3.729 -12.708 -0.794 1.00 0.00 C ATOM 1225 C LEU A 87 4.713 -11.975 -1.708 1.00 0.00 C ATOM 1226 O LEU A 87 5.519 -12.604 -2.392 1.00 0.00 O ATOM 1227 CB LEU A 87 4.406 -13.629 0.223 1.00 0.00 C ATOM 1228 CG LEU A 87 4.233 -13.247 1.694 1.00 0.00 C ATOM 1229 CD1 LEU A 87 2.778 -12.888 1.999 1.00 0.00 C ATOM 1230 CD2 LEU A 87 4.755 -14.354 2.613 1.00 0.00 C ATOM 0 H LEU A 87 3.167 -14.285 -2.053 1.00 0.00 H new ATOM 0 HA LEU A 87 3.211 -11.949 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.020 -14.638 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.472 -13.662 -0.000 1.00 0.00 H new ATOM 0 HG LEU A 87 4.832 -12.357 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.682 -12.620 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.474 -12.043 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.139 -13.744 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.620 -14.057 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.203 -15.275 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.814 -14.520 2.417 1.00 0.00 H new ATOM 1241 N LEU A 88 4.613 -10.652 -1.693 1.00 0.00 N ATOM 1242 CA LEU A 88 5.484 -9.827 -2.513 1.00 0.00 C ATOM 1243 C LEU A 88 6.880 -9.790 -1.890 1.00 0.00 C ATOM 1244 O LEU A 88 7.353 -8.732 -1.479 1.00 0.00 O ATOM 1245 CB LEU A 88 4.867 -8.443 -2.723 1.00 0.00 C ATOM 1246 CG LEU A 88 5.702 -7.453 -3.538 1.00 0.00 C ATOM 1247 CD1 LEU A 88 5.679 -7.811 -5.025 1.00 0.00 C ATOM 1248 CD2 LEU A 88 5.246 -6.015 -3.287 1.00 0.00 C ATOM 0 H LEU A 88 3.943 -10.133 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 88 5.591 -10.258 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.903 -8.568 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.670 -8.003 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 88 6.738 -7.524 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.280 -7.092 -5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.088 -8.811 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.652 -7.785 -5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.856 -5.332 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.200 -5.910 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.357 -5.778 -2.229 1.00 0.00 H new ATOM 1259 N GLU A 89 7.502 -10.960 -1.839 1.00 0.00 N ATOM 1260 CA GLU A 89 8.835 -11.074 -1.272 1.00 0.00 C ATOM 1261 C GLU A 89 8.787 -10.876 0.244 1.00 0.00 C ATOM 1262 O GLU A 89 7.714 -10.918 0.845 1.00 0.00 O ATOM 1263 CB GLU A 89 9.795 -10.079 -1.925 1.00 0.00 C ATOM 1264 CG GLU A 89 11.137 -10.741 -2.247 1.00 0.00 C ATOM 1265 CD GLU A 89 10.931 -12.071 -2.976 1.00 0.00 C ATOM 1266 OE1 GLU A 89 10.889 -13.130 -2.333 1.00 0.00 O ATOM 1267 OE2 GLU A 89 10.813 -11.977 -4.257 1.00 0.00 O ATOM 0 H GLU A 89 7.107 -11.836 -2.181 1.00 0.00 H new ATOM 0 HA GLU A 89 9.210 -12.077 -1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.351 -9.686 -2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.954 -9.231 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.737 -10.073 -2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.694 -10.910 -1.325 1.00 0.00 H new ATOM 1273 N ASP A 90 9.961 -10.663 0.818 1.00 0.00 N ATOM 1274 CA ASP A 90 10.066 -10.459 2.254 1.00 0.00 C ATOM 1275 C ASP A 90 8.890 -9.603 2.729 1.00 0.00 C ATOM 1276 O ASP A 90 8.329 -9.850 3.795 1.00 0.00 O ATOM 1277 CB ASP A 90 11.360 -9.725 2.611 1.00 0.00 C ATOM 1278 CG ASP A 90 12.619 -10.266 1.931 1.00 0.00 C ATOM 1279 OD1 ASP A 90 13.168 -9.638 1.014 1.00 0.00 O ATOM 1280 OD2 ASP A 90 13.041 -11.397 2.385 1.00 0.00 O ATOM 0 H ASP A 90 10.848 -10.627 0.316 1.00 0.00 H new ATOM 0 HA ASP A 90 10.061 -11.436 2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.247 -8.673 2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.500 -9.771 3.691 1.00 0.00 H new ATOM 1285 N GLY A 91 8.553 -8.613 1.916 1.00 0.00 N ATOM 1286 CA GLY A 91 7.454 -7.719 2.240 1.00 0.00 C ATOM 1287 C GLY A 91 7.449 -6.499 1.317 1.00 0.00 C ATOM 1288 O GLY A 91 6.451 -6.223 0.652 1.00 0.00 O ATOM 0 H GLY A 91 9.022 -8.410 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.508 -8.252 2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.538 -7.394 3.277 1.00 0.00 H new ATOM 1292 N ILE A 92 8.575 -5.801 1.305 1.00 0.00 N ATOM 1293 CA ILE A 92 8.713 -4.617 0.474 1.00 0.00 C ATOM 1294 C ILE A 92 10.105 -4.603 -0.158 1.00 0.00 C ATOM 1295 O ILE A 92 10.542 -3.580 -0.683 1.00 0.00 O ATOM 1296 CB ILE A 92 8.391 -3.357 1.280 1.00 0.00 C ATOM 1297 CG1 ILE A 92 7.406 -2.461 0.526 1.00 0.00 C ATOM 1298 CG2 ILE A 92 9.669 -2.609 1.663 1.00 0.00 C ATOM 1299 CD1 ILE A 92 7.926 -2.132 -0.874 1.00 0.00 C ATOM 0 H ILE A 92 9.400 -6.033 1.858 1.00 0.00 H new ATOM 0 HA ILE A 92 7.992 -4.638 -0.343 1.00 0.00 H new ATOM 0 HB ILE A 92 7.906 -3.660 2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.439 -2.959 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.247 -1.539 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.411 -1.718 2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 92 10.303 -3.258 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 92 10.205 -2.318 0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.207 -1.494 -1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.881 -1.612 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.061 -3.055 -1.438 1.00 0.00 H new ATOM 1310 N ASP A 93 10.765 -5.750 -0.088 1.00 0.00 N ATOM 1311 CA ASP A 93 12.099 -5.882 -0.647 1.00 0.00 C ATOM 1312 C ASP A 93 11.992 -6.243 -2.131 1.00 0.00 C ATOM 1313 O ASP A 93 12.926 -6.013 -2.898 1.00 0.00 O ATOM 1314 CB ASP A 93 12.882 -6.994 0.053 1.00 0.00 C ATOM 1315 CG ASP A 93 14.054 -7.565 -0.750 1.00 0.00 C ATOM 1316 OD1 ASP A 93 13.872 -8.448 -1.602 1.00 0.00 O ATOM 1317 OD2 ASP A 93 15.206 -7.060 -0.467 1.00 0.00 O ATOM 0 H ASP A 93 10.400 -6.597 0.348 1.00 0.00 H new ATOM 0 HA ASP A 93 12.617 -4.933 -0.509 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.263 -6.609 0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 93 12.195 -7.806 0.292 1.00 0.00 H new ATOM 1322 N GLY A 94 10.845 -6.800 -2.490 1.00 0.00 N ATOM 1323 CA GLY A 94 10.603 -7.194 -3.868 1.00 0.00 C ATOM 1324 C GLY A 94 10.494 -5.969 -4.777 1.00 0.00 C ATOM 1325 O GLY A 94 11.278 -5.812 -5.711 1.00 0.00 O ATOM 0 H GLY A 94 10.073 -6.988 -1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.412 -7.837 -4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.685 -7.778 -3.927 1.00 0.00 H new ATOM 1329 N TRP A 95 9.514 -5.131 -4.472 1.00 0.00 N ATOM 1330 CA TRP A 95 9.291 -3.925 -5.250 1.00 0.00 C ATOM 1331 C TRP A 95 10.640 -3.224 -5.434 1.00 0.00 C ATOM 1332 O TRP A 95 10.974 -2.795 -6.536 1.00 0.00 O ATOM 1333 CB TRP A 95 8.240 -3.032 -4.589 1.00 0.00 C ATOM 1334 CG TRP A 95 7.969 -1.727 -5.339 1.00 0.00 C ATOM 1335 CD1 TRP A 95 8.160 -0.472 -4.909 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.447 -1.598 -6.679 1.00 0.00 C ATOM 1337 NE1 TRP A 95 7.801 0.452 -5.870 1.00 0.00 N ATOM 1338 CE2 TRP A 95 7.353 -0.255 -6.980 1.00 0.00 C ATOM 1339 CE3 TRP A 95 7.066 -2.584 -7.606 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 6.882 0.225 -8.207 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 6.596 -2.088 -8.828 1.00 0.00 C ATOM 1342 CH2 TRP A 95 6.496 -0.739 -9.146 1.00 0.00 C ATOM 0 H TRP A 95 8.865 -5.264 -3.696 1.00 0.00 H new ATOM 0 HA TRP A 95 8.888 -4.170 -6.233 1.00 0.00 H new ATOM 0 HB2 TRP A 95 7.307 -3.589 -4.503 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.565 -2.796 -3.576 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.546 -0.216 -3.933 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.855 1.467 -5.782 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.131 -3.641 -7.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.820 1.282 -8.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.290 -2.804 -9.576 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.122 -0.436 -10.113 1.00 0.00 H new ATOM 1352 N LYS A 96 11.376 -3.132 -4.336 1.00 0.00 N ATOM 1353 CA LYS A 96 12.680 -2.491 -4.361 1.00 0.00 C ATOM 1354 C LYS A 96 13.656 -3.365 -5.152 1.00 0.00 C ATOM 1355 O LYS A 96 14.534 -2.851 -5.844 1.00 0.00 O ATOM 1356 CB LYS A 96 13.150 -2.174 -2.941 1.00 0.00 C ATOM 1357 CG LYS A 96 13.763 -0.775 -2.865 1.00 0.00 C ATOM 1358 CD LYS A 96 14.505 -0.572 -1.543 1.00 0.00 C ATOM 1359 CE LYS A 96 16.014 -0.766 -1.726 1.00 0.00 C ATOM 1360 NZ LYS A 96 16.755 0.389 -1.173 1.00 0.00 N ATOM 0 H LYS A 96 11.094 -3.491 -3.424 1.00 0.00 H new ATOM 0 HA LYS A 96 12.623 -1.530 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.309 -2.244 -2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.884 -2.914 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.451 -0.630 -3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.979 -0.025 -2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.307 0.429 -1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 96 14.131 -1.277 -0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 96 16.332 -1.682 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 96 16.246 -0.882 -2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.776 0.242 -1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.464 1.257 -1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.547 0.481 -0.158 1.00 0.00 H new ATOM 1369 N LYS A 97 13.472 -4.671 -5.022 1.00 0.00 N ATOM 1370 CA LYS A 97 14.326 -5.620 -5.715 1.00 0.00 C ATOM 1371 C LYS A 97 14.613 -5.105 -7.127 1.00 0.00 C ATOM 1372 O LYS A 97 15.749 -4.757 -7.445 1.00 0.00 O ATOM 1373 CB LYS A 97 13.705 -7.018 -5.685 1.00 0.00 C ATOM 1374 CG LYS A 97 14.764 -8.093 -5.945 1.00 0.00 C ATOM 1375 CD LYS A 97 15.724 -8.214 -4.761 1.00 0.00 C ATOM 1376 CE LYS A 97 16.328 -9.618 -4.685 1.00 0.00 C ATOM 1377 NZ LYS A 97 17.761 -9.548 -4.323 1.00 0.00 N ATOM 0 H LYS A 97 12.744 -5.094 -4.447 1.00 0.00 H new ATOM 0 HA LYS A 97 15.286 -5.711 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.236 -7.191 -4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 97 12.919 -7.087 -6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.278 -9.052 -6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.323 -7.847 -6.848 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.521 -7.476 -4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.194 -7.992 -3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.789 -10.212 -3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.214 -10.122 -5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.155 -10.510 -4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.274 -8.999 -5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.863 -9.087 -3.397 1.00 0.00 H new ATOM 1386 N ALA A 98 13.564 -5.071 -7.936 1.00 0.00 N ATOM 1387 CA ALA A 98 13.689 -4.605 -9.306 1.00 0.00 C ATOM 1388 C ALA A 98 14.323 -3.212 -9.309 1.00 0.00 C ATOM 1389 O ALA A 98 15.026 -2.849 -10.250 1.00 0.00 O ATOM 1390 CB ALA A 98 12.316 -4.622 -9.979 1.00 0.00 C ATOM 0 H ALA A 98 12.623 -5.359 -7.668 1.00 0.00 H new ATOM 0 HA ALA A 98 14.340 -5.266 -9.879 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.410 -4.272 -11.007 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.922 -5.638 -9.976 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.636 -3.968 -9.434 1.00 0.00 H new ATOM 1396 N GLY A 99 14.050 -2.470 -8.245 1.00 0.00 N ATOM 1397 CA GLY A 99 14.585 -1.125 -8.114 1.00 0.00 C ATOM 1398 C GLY A 99 13.467 -0.083 -8.183 1.00 0.00 C ATOM 1399 O GLY A 99 13.599 0.930 -8.869 1.00 0.00 O ATOM 0 H GLY A 99 13.466 -2.775 -7.466 1.00 0.00 H new ATOM 0 HA2 GLY A 99 15.117 -1.032 -7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.310 -0.939 -8.906 1.00 0.00 H new ATOM 1403 N LEU A 100 12.393 -0.365 -7.461 1.00 0.00 N ATOM 1404 CA LEU A 100 11.253 0.536 -7.430 1.00 0.00 C ATOM 1405 C LEU A 100 11.079 1.083 -6.012 1.00 0.00 C ATOM 1406 O LEU A 100 11.233 0.350 -5.036 1.00 0.00 O ATOM 1407 CB LEU A 100 10.006 -0.159 -7.979 1.00 0.00 C ATOM 1408 CG LEU A 100 10.192 -0.945 -9.278 1.00 0.00 C ATOM 1409 CD1 LEU A 100 9.638 -2.365 -9.144 1.00 0.00 C ATOM 1410 CD2 LEU A 100 9.578 -0.198 -10.463 1.00 0.00 C ATOM 0 H LEU A 100 12.288 -1.205 -6.892 1.00 0.00 H new ATOM 0 HA LEU A 100 11.426 1.392 -8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.629 -0.840 -7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.236 0.595 -8.141 1.00 0.00 H new ATOM 0 HG LEU A 100 11.261 -1.035 -9.474 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.783 -2.902 -10.081 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.162 -2.886 -8.343 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.574 -2.320 -8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.724 -0.778 -11.374 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.511 -0.056 -10.290 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.061 0.773 -10.570 1.00 0.00 H new ATOM 1421 N PRO A 101 10.753 2.401 -5.940 1.00 0.00 N ATOM 1422 CA PRO A 101 10.556 3.055 -4.657 1.00 0.00 C ATOM 1423 C PRO A 101 9.216 2.653 -4.037 1.00 0.00 C ATOM 1424 O PRO A 101 9.141 1.682 -3.288 1.00 0.00 O ATOM 1425 CB PRO A 101 10.651 4.542 -4.955 1.00 0.00 C ATOM 1426 CG PRO A 101 10.433 4.683 -6.453 1.00 0.00 C ATOM 1427 CD PRO A 101 10.563 3.301 -7.074 1.00 0.00 C ATOM 0 HA PRO A 101 11.301 2.763 -3.917 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.900 5.101 -4.397 1.00 0.00 H new ATOM 0 HB3 PRO A 101 11.624 4.937 -4.663 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.448 5.103 -6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 101 11.166 5.366 -6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.672 3.037 -7.644 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.407 3.254 -7.762 1.00 0.00 H new ATOM 1432 N VAL A 102 8.191 3.423 -4.372 1.00 0.00 N ATOM 1433 CA VAL A 102 6.858 3.160 -3.858 1.00 0.00 C ATOM 1434 C VAL A 102 5.922 4.299 -4.270 1.00 0.00 C ATOM 1435 O VAL A 102 6.319 5.193 -5.017 1.00 0.00 O ATOM 1436 CB VAL A 102 6.913 2.951 -2.343 1.00 0.00 C ATOM 1437 CG1 VAL A 102 6.952 1.462 -1.996 1.00 0.00 C ATOM 1438 CG2 VAL A 102 8.106 3.688 -1.732 1.00 0.00 C ATOM 0 H VAL A 102 8.257 4.229 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 102 6.459 2.240 -4.286 1.00 0.00 H new ATOM 0 HB VAL A 102 6.004 3.371 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.991 1.342 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.057 0.975 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 102 7.836 1.007 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.122 3.523 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.030 3.311 -2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.017 4.755 -1.935 1.00 0.00 H new ATOM 1448 N ALA A 103 4.699 4.229 -3.766 1.00 0.00 N ATOM 1449 CA ALA A 103 3.705 5.244 -4.073 1.00 0.00 C ATOM 1450 C ALA A 103 3.927 6.458 -3.172 1.00 0.00 C ATOM 1451 O ALA A 103 2.995 6.936 -2.526 1.00 0.00 O ATOM 1452 CB ALA A 103 2.303 4.649 -3.916 1.00 0.00 C ATOM 0 H ALA A 103 4.374 3.486 -3.148 1.00 0.00 H new ATOM 0 HA ALA A 103 3.804 5.578 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 103 1.557 5.410 -4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.186 3.808 -4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.166 4.305 -2.891 1.00 0.00 H new ATOM 1458 N VAL A 104 5.167 6.925 -3.156 1.00 0.00 N ATOM 1459 CA VAL A 104 5.524 8.076 -2.343 1.00 0.00 C ATOM 1460 C VAL A 104 5.085 9.355 -3.059 1.00 0.00 C ATOM 1461 O VAL A 104 5.554 9.648 -4.158 1.00 0.00 O ATOM 1462 CB VAL A 104 7.021 8.050 -2.028 1.00 0.00 C ATOM 1463 CG1 VAL A 104 7.300 8.649 -0.648 1.00 0.00 C ATOM 1464 CG2 VAL A 104 7.579 6.630 -2.132 1.00 0.00 C ATOM 0 H VAL A 104 5.937 6.527 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 104 5.004 8.044 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 104 7.531 8.665 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.371 8.619 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.955 9.683 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.773 8.073 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.645 6.640 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.062 5.983 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.429 6.253 -3.144 1.00 0.00 H new