USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 676 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 68 CYS SG : rot -113:sc= -0.503 USER MOD Set 1.2: A 74 THR OG1 : rot -109:sc= 1.1 USER MOD Set 2.1: A 38 SER OG : rot -86:sc= -0.289! USER MOD Set 2.2: A 40 CYS SG : rot -119:sc= 0.802 USER MOD Set 2.3: A 42 SER OG : rot 71:sc= 1.58 USER MOD Single : A 3 THR OG1 : rot -36:sc= -0.708 USER MOD Single : A 8 HIS : no HE2:sc= -17.9! C(o=-18!,f=-20!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.29) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.0056) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc=-0.00292 (180deg=-0.00292) USER MOD Single : A 37 HIS : no HD1:sc= -0.0259 X(o=-0.026,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.104) USER MOD Single : A 63 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.146) USER MOD Single : A 67 SER OG : rot 69:sc= 0.356! USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.3 F(o=-1.2,f=-0.3) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.0586 USER MOD Single : A 84 HIS : no HE2:sc= -8.45! C(o=-8.4!,f=-9.7!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N THR A 3 -16.415 -5.193 2.829 1.00 0.00 N ATOM 36 CA THR A 3 -15.296 -4.350 3.347 1.00 0.00 C ATOM 37 C THR A 3 -14.041 -4.575 2.499 1.00 0.00 C ATOM 38 O THR A 3 -13.967 -5.510 1.729 1.00 0.00 O ATOM 39 CB THR A 3 -15.071 -4.822 4.784 1.00 0.00 C ATOM 40 OG1 THR A 3 -14.541 -6.140 4.772 1.00 0.00 O ATOM 41 CG2 THR A 3 -16.400 -4.811 5.539 1.00 0.00 C ATOM 0 HA THR A 3 -15.523 -3.285 3.306 1.00 0.00 H new ATOM 0 HB THR A 3 -14.368 -4.153 5.280 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.942 -6.647 4.035 1.00 0.00 H new ATOM 0 HG21 THR A 3 -16.239 -5.147 6.563 1.00 0.00 H new ATOM 0 HG22 THR A 3 -16.805 -3.799 5.549 1.00 0.00 H new ATOM 0 HG23 THR A 3 -17.105 -5.479 5.044 1.00 0.00 H new ATOM 49 N ALA A 4 -13.089 -3.684 2.574 1.00 0.00 N ATOM 50 CA ALA A 4 -11.888 -3.807 1.697 1.00 0.00 C ATOM 51 C ALA A 4 -10.656 -4.182 2.523 1.00 0.00 C ATOM 52 O ALA A 4 -10.349 -3.554 3.514 1.00 0.00 O ATOM 53 CB ALA A 4 -11.711 -2.422 1.072 1.00 0.00 C ATOM 0 H ALA A 4 -13.090 -2.880 3.201 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.010 -4.585 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.845 -2.429 0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.602 -2.164 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.560 -1.684 1.860 1.00 0.00 H new ATOM 59 N ALA A 5 -9.922 -5.172 2.090 1.00 0.00 N ATOM 60 CA ALA A 5 -8.678 -5.555 2.814 1.00 0.00 C ATOM 61 C ALA A 5 -7.466 -4.953 2.106 1.00 0.00 C ATOM 62 O ALA A 5 -7.283 -5.132 0.922 1.00 0.00 O ATOM 63 CB ALA A 5 -8.636 -7.082 2.742 1.00 0.00 C ATOM 0 H ALA A 5 -10.132 -5.732 1.264 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.663 -5.196 3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.746 -7.446 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.524 -7.493 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.608 -7.396 1.699 1.00 0.00 H new ATOM 69 N ALA A 6 -6.687 -4.164 2.791 1.00 0.00 N ATOM 70 CA ALA A 6 -5.559 -3.478 2.099 1.00 0.00 C ATOM 71 C ALA A 6 -4.306 -3.454 2.974 1.00 0.00 C ATOM 72 O ALA A 6 -4.310 -2.918 4.065 1.00 0.00 O ATOM 73 CB ALA A 6 -6.059 -2.057 1.847 1.00 0.00 C ATOM 0 H ALA A 6 -6.779 -3.965 3.787 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.280 -3.991 1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.284 -1.483 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.953 -2.091 1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.297 -1.581 2.798 1.00 0.00 H new ATOM 79 N LEU A 7 -3.191 -3.820 2.407 1.00 0.00 N ATOM 80 CA LEU A 7 -1.893 -3.579 3.100 1.00 0.00 C ATOM 81 C LEU A 7 -1.263 -2.306 2.537 1.00 0.00 C ATOM 82 O LEU A 7 -1.342 -2.045 1.355 1.00 0.00 O ATOM 83 CB LEU A 7 -1.024 -4.795 2.774 1.00 0.00 C ATOM 84 CG LEU A 7 -1.704 -6.065 3.288 1.00 0.00 C ATOM 85 CD1 LEU A 7 -0.833 -7.278 2.953 1.00 0.00 C ATOM 86 CD2 LEU A 7 -1.883 -5.968 4.804 1.00 0.00 C ATOM 0 H LEU A 7 -3.121 -4.274 1.496 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.006 -3.452 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.867 -4.865 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.041 -4.686 3.233 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.679 -6.175 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.316 -8.184 3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.704 -7.346 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.142 -7.169 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.368 -6.872 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.908 -5.860 5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.501 -5.103 5.043 1.00 0.00 H new ATOM 98 N HIS A 8 -0.675 -1.488 3.363 1.00 0.00 N ATOM 99 CA HIS A 8 -0.097 -0.219 2.832 1.00 0.00 C ATOM 100 C HIS A 8 1.295 0.025 3.410 1.00 0.00 C ATOM 101 O HIS A 8 1.452 0.304 4.582 1.00 0.00 O ATOM 102 CB HIS A 8 -1.066 0.888 3.261 1.00 0.00 C ATOM 103 CG HIS A 8 -2.365 0.726 2.520 1.00 0.00 C ATOM 104 ND1 HIS A 8 -2.799 1.648 1.581 1.00 0.00 N ATOM 105 CD2 HIS A 8 -3.330 -0.250 2.562 1.00 0.00 C ATOM 106 CE1 HIS A 8 -3.978 1.212 1.101 1.00 0.00 C ATOM 107 NE2 HIS A 8 -4.348 0.060 1.665 1.00 0.00 N ATOM 0 H HIS A 8 -0.569 -1.637 4.367 1.00 0.00 H new ATOM 0 HA HIS A 8 0.018 -0.253 1.749 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.239 0.839 4.336 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.634 1.867 3.051 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -2.313 2.501 1.304 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.303 -1.125 3.195 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.555 1.731 0.350 1.00 0.00 H new ATOM 115 N ILE A 9 2.286 0.065 2.565 1.00 0.00 N ATOM 116 CA ILE A 9 3.642 0.458 3.034 1.00 0.00 C ATOM 117 C ILE A 9 3.959 1.878 2.573 1.00 0.00 C ATOM 118 O ILE A 9 3.861 2.200 1.406 1.00 0.00 O ATOM 119 CB ILE A 9 4.601 -0.541 2.392 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.258 -1.952 2.872 1.00 0.00 C ATOM 121 CG2 ILE A 9 6.037 -0.194 2.786 1.00 0.00 C ATOM 122 CD1 ILE A 9 5.064 -2.976 2.070 1.00 0.00 C ATOM 0 H ILE A 9 2.216 -0.157 1.572 1.00 0.00 H new ATOM 0 HA ILE A 9 3.721 0.446 4.121 1.00 0.00 H new ATOM 0 HB ILE A 9 4.506 -0.496 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.481 -2.050 3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.191 -2.139 2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.722 -0.907 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.276 0.812 2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.138 -0.239 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.819 -3.981 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.819 -2.884 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.129 -2.794 2.213 1.00 0.00 H new ATOM 134 N LEU A 10 4.331 2.728 3.485 1.00 0.00 N ATOM 135 CA LEU A 10 4.651 4.131 3.111 1.00 0.00 C ATOM 136 C LEU A 10 6.169 4.321 3.051 1.00 0.00 C ATOM 137 O LEU A 10 6.855 4.220 4.049 1.00 0.00 O ATOM 138 CB LEU A 10 4.054 4.985 4.232 1.00 0.00 C ATOM 139 CG LEU A 10 3.822 6.417 3.735 1.00 0.00 C ATOM 140 CD1 LEU A 10 3.628 7.345 4.936 1.00 0.00 C ATOM 141 CD2 LEU A 10 5.026 6.889 2.915 1.00 0.00 C ATOM 0 H LEU A 10 4.428 2.511 4.477 1.00 0.00 H new ATOM 0 HA LEU A 10 4.251 4.402 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.112 4.551 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.726 4.994 5.090 1.00 0.00 H new ATOM 0 HG LEU A 10 2.932 6.438 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.463 8.364 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.765 7.016 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.518 7.317 5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.852 7.907 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.921 6.866 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.163 6.230 2.058 1.00 0.00 H new ATOM 153 N VAL A 11 6.690 4.653 1.904 1.00 0.00 N ATOM 154 CA VAL A 11 8.154 4.916 1.804 1.00 0.00 C ATOM 155 C VAL A 11 8.398 6.413 1.613 1.00 0.00 C ATOM 156 O VAL A 11 7.855 7.034 0.722 1.00 0.00 O ATOM 157 CB VAL A 11 8.645 4.143 0.574 1.00 0.00 C ATOM 158 CG1 VAL A 11 10.145 3.880 0.712 1.00 0.00 C ATOM 159 CG2 VAL A 11 7.908 2.805 0.459 1.00 0.00 C ATOM 0 H VAL A 11 6.169 4.754 1.033 1.00 0.00 H new ATOM 0 HA VAL A 11 8.681 4.603 2.706 1.00 0.00 H new ATOM 0 HB VAL A 11 8.449 4.735 -0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.500 3.330 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.676 4.829 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.330 3.292 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.266 2.267 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.095 2.209 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.838 2.986 0.361 1.00 0.00 H new ATOM 169 N LYS A 12 9.195 6.996 2.457 1.00 0.00 N ATOM 170 CA LYS A 12 9.463 8.457 2.347 1.00 0.00 C ATOM 171 C LYS A 12 10.276 8.751 1.083 1.00 0.00 C ATOM 172 O LYS A 12 10.072 9.749 0.419 1.00 0.00 O ATOM 173 CB LYS A 12 10.263 8.805 3.603 1.00 0.00 C ATOM 174 CG LYS A 12 9.428 8.472 4.842 1.00 0.00 C ATOM 175 CD LYS A 12 8.236 9.427 4.931 1.00 0.00 C ATOM 176 CE LYS A 12 7.380 9.063 6.148 1.00 0.00 C ATOM 177 NZ LYS A 12 7.575 10.189 7.104 1.00 0.00 N ATOM 0 H LYS A 12 9.676 6.524 3.223 1.00 0.00 H new ATOM 0 HA LYS A 12 8.548 9.045 2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.198 8.245 3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.525 9.863 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.078 7.441 4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.041 8.556 5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.586 10.456 5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.639 9.366 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.330 8.954 5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.696 8.115 6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.019 10.013 7.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.582 10.264 7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.259 11.077 6.664 1.00 0.00 H new ATOM 191 N GLU A 13 11.222 7.909 0.765 1.00 0.00 N ATOM 192 CA GLU A 13 12.078 8.162 -0.431 1.00 0.00 C ATOM 193 C GLU A 13 11.793 7.134 -1.527 1.00 0.00 C ATOM 194 O GLU A 13 11.686 5.951 -1.274 1.00 0.00 O ATOM 195 CB GLU A 13 13.511 8.018 0.074 1.00 0.00 C ATOM 196 CG GLU A 13 13.840 9.194 0.991 1.00 0.00 C ATOM 197 CD GLU A 13 15.173 8.938 1.697 1.00 0.00 C ATOM 198 OE1 GLU A 13 15.760 7.897 1.452 1.00 0.00 O ATOM 199 OE2 GLU A 13 15.584 9.787 2.471 1.00 0.00 O ATOM 0 H GLU A 13 11.440 7.057 1.281 1.00 0.00 H new ATOM 0 HA GLU A 13 11.890 9.143 -0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.627 7.078 0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.205 7.991 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.895 10.116 0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.047 9.327 1.727 1.00 0.00 H new ATOM 206 N GLU A 14 11.726 7.575 -2.753 1.00 0.00 N ATOM 207 CA GLU A 14 11.515 6.622 -3.880 1.00 0.00 C ATOM 208 C GLU A 14 12.657 5.605 -3.924 1.00 0.00 C ATOM 209 O GLU A 14 12.447 4.429 -4.147 1.00 0.00 O ATOM 210 CB GLU A 14 11.535 7.490 -5.137 1.00 0.00 C ATOM 211 CG GLU A 14 11.323 6.605 -6.367 1.00 0.00 C ATOM 212 CD GLU A 14 11.344 7.470 -7.628 1.00 0.00 C ATOM 213 OE1 GLU A 14 11.604 8.655 -7.505 1.00 0.00 O ATOM 214 OE2 GLU A 14 11.105 6.931 -8.696 1.00 0.00 O ATOM 0 H GLU A 14 11.808 8.555 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 14 10.585 6.062 -3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.754 8.248 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.486 8.017 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.103 5.846 -6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.371 6.079 -6.290 1.00 0.00 H new ATOM 221 N LYS A 15 13.867 6.055 -3.731 1.00 0.00 N ATOM 222 CA LYS A 15 15.026 5.120 -3.784 1.00 0.00 C ATOM 223 C LYS A 15 14.837 3.990 -2.773 1.00 0.00 C ATOM 224 O LYS A 15 15.037 2.832 -3.083 1.00 0.00 O ATOM 225 CB LYS A 15 16.240 5.974 -3.422 1.00 0.00 C ATOM 226 CG LYS A 15 16.531 6.950 -4.563 1.00 0.00 C ATOM 227 CD LYS A 15 17.747 7.806 -4.203 1.00 0.00 C ATOM 228 CE LYS A 15 18.038 8.783 -5.345 1.00 0.00 C ATOM 229 NZ LYS A 15 19.322 9.436 -4.968 1.00 0.00 N ATOM 0 H LYS A 15 14.103 7.029 -3.539 1.00 0.00 H new ATOM 0 HA LYS A 15 15.138 4.652 -4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.051 6.522 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.106 5.337 -3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.719 6.402 -5.486 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.664 7.587 -4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.559 8.354 -3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.614 7.169 -4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.124 8.262 -6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 15 17.238 9.516 -5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.591 10.122 -5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.207 9.928 -4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.066 8.714 -4.879 1.00 0.00 H new ATOM 243 N LEU A 16 14.348 4.298 -1.604 1.00 0.00 N ATOM 244 CA LEU A 16 14.032 3.211 -0.636 1.00 0.00 C ATOM 245 C LEU A 16 12.838 2.403 -1.154 1.00 0.00 C ATOM 246 O LEU A 16 12.838 1.189 -1.126 1.00 0.00 O ATOM 247 CB LEU A 16 13.679 3.923 0.669 1.00 0.00 C ATOM 248 CG LEU A 16 13.791 2.935 1.832 1.00 0.00 C ATOM 249 CD1 LEU A 16 13.760 3.701 3.156 1.00 0.00 C ATOM 250 CD2 LEU A 16 12.623 1.949 1.782 1.00 0.00 C ATOM 0 H LEU A 16 14.155 5.245 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 16 14.861 2.517 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.350 4.767 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.667 4.325 0.615 1.00 0.00 H new ATOM 0 HG LEU A 16 14.729 2.386 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.840 2.998 3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.595 4.400 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.823 4.251 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.704 1.246 2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.683 2.495 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.648 1.403 0.839 1.00 0.00 H new ATOM 262 N ALA A 17 11.863 3.071 -1.712 1.00 0.00 N ATOM 263 CA ALA A 17 10.720 2.344 -2.333 1.00 0.00 C ATOM 264 C ALA A 17 11.225 1.436 -3.457 1.00 0.00 C ATOM 265 O ALA A 17 10.827 0.293 -3.570 1.00 0.00 O ATOM 266 CB ALA A 17 9.810 3.439 -2.891 1.00 0.00 C ATOM 0 H ALA A 17 11.810 4.088 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 17 10.196 1.707 -1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.942 2.983 -3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.481 4.087 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.358 4.028 -3.626 1.00 0.00 H new ATOM 272 N LEU A 18 12.158 1.908 -4.242 1.00 0.00 N ATOM 273 CA LEU A 18 12.750 1.035 -5.296 1.00 0.00 C ATOM 274 C LEU A 18 13.396 -0.189 -4.648 1.00 0.00 C ATOM 275 O LEU A 18 13.230 -1.305 -5.101 1.00 0.00 O ATOM 276 CB LEU A 18 13.807 1.898 -5.986 1.00 0.00 C ATOM 277 CG LEU A 18 13.222 2.495 -7.268 1.00 0.00 C ATOM 278 CD1 LEU A 18 13.530 3.992 -7.323 1.00 0.00 C ATOM 279 CD2 LEU A 18 13.845 1.802 -8.481 1.00 0.00 C ATOM 0 H LEU A 18 12.533 2.855 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 18 12.004 0.672 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.134 2.695 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.686 1.297 -6.220 1.00 0.00 H new ATOM 0 HG LEU A 18 12.142 2.347 -7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.113 4.416 -8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.087 4.487 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.610 4.142 -7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.430 2.226 -9.395 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.925 1.951 -8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.625 0.735 -8.443 1.00 0.00 H new ATOM 291 N ASP A 19 14.081 0.004 -3.556 1.00 0.00 N ATOM 292 CA ASP A 19 14.677 -1.156 -2.839 1.00 0.00 C ATOM 293 C ASP A 19 13.579 -2.132 -2.405 1.00 0.00 C ATOM 294 O ASP A 19 13.694 -3.328 -2.585 1.00 0.00 O ATOM 295 CB ASP A 19 15.374 -0.554 -1.619 1.00 0.00 C ATOM 296 CG ASP A 19 16.027 -1.672 -0.802 1.00 0.00 C ATOM 297 OD1 ASP A 19 15.303 -2.528 -0.321 1.00 0.00 O ATOM 298 OD2 ASP A 19 17.240 -1.653 -0.674 1.00 0.00 O ATOM 0 H ASP A 19 14.254 0.914 -3.130 1.00 0.00 H new ATOM 0 HA ASP A 19 15.369 -1.717 -3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.127 0.167 -1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.654 -0.013 -1.005 1.00 0.00 H new ATOM 303 N LEU A 20 12.500 -1.632 -1.862 1.00 0.00 N ATOM 304 CA LEU A 20 11.388 -2.537 -1.453 1.00 0.00 C ATOM 305 C LEU A 20 10.801 -3.221 -2.693 1.00 0.00 C ATOM 306 O LEU A 20 10.524 -4.404 -2.694 1.00 0.00 O ATOM 307 CB LEU A 20 10.373 -1.615 -0.730 1.00 0.00 C ATOM 308 CG LEU A 20 9.089 -1.410 -1.554 1.00 0.00 C ATOM 309 CD1 LEU A 20 8.280 -2.709 -1.576 1.00 0.00 C ATOM 310 CD2 LEU A 20 8.249 -0.303 -0.922 1.00 0.00 C ATOM 0 H LEU A 20 12.342 -0.640 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 20 11.700 -3.346 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.117 -2.046 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.837 -0.648 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 20 9.356 -1.130 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.371 -2.562 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.877 -3.502 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.015 -2.990 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.340 -0.158 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.985 -0.584 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.822 0.624 -0.906 1.00 0.00 H new ATOM 322 N LEU A 21 10.602 -2.475 -3.741 1.00 0.00 N ATOM 323 CA LEU A 21 10.027 -3.064 -4.979 1.00 0.00 C ATOM 324 C LEU A 21 10.892 -4.240 -5.441 1.00 0.00 C ATOM 325 O LEU A 21 10.414 -5.341 -5.632 1.00 0.00 O ATOM 326 CB LEU A 21 10.062 -1.928 -6.004 1.00 0.00 C ATOM 327 CG LEU A 21 8.780 -1.098 -5.892 1.00 0.00 C ATOM 328 CD1 LEU A 21 9.131 0.355 -5.559 1.00 0.00 C ATOM 329 CD2 LEU A 21 8.031 -1.145 -7.226 1.00 0.00 C ATOM 0 H LEU A 21 10.814 -1.479 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 21 9.017 -3.448 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.933 -1.296 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.157 -2.335 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 21 8.152 -1.507 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.216 0.942 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.668 0.392 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.760 0.768 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.117 -0.555 -7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.664 -0.735 -8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.778 -2.178 -7.465 1.00 0.00 H new ATOM 341 N GLU A 22 12.177 -4.032 -5.531 1.00 0.00 N ATOM 342 CA GLU A 22 13.100 -5.150 -5.877 1.00 0.00 C ATOM 343 C GLU A 22 13.026 -6.245 -4.808 1.00 0.00 C ATOM 344 O GLU A 22 13.135 -7.420 -5.097 1.00 0.00 O ATOM 345 CB GLU A 22 14.490 -4.517 -5.899 1.00 0.00 C ATOM 346 CG GLU A 22 14.596 -3.561 -7.089 1.00 0.00 C ATOM 347 CD GLU A 22 14.372 -4.335 -8.389 1.00 0.00 C ATOM 348 OE1 GLU A 22 14.956 -5.397 -8.531 1.00 0.00 O ATOM 349 OE2 GLU A 22 13.620 -3.853 -9.220 1.00 0.00 O ATOM 0 H GLU A 22 12.630 -3.131 -5.379 1.00 0.00 H new ATOM 0 HA GLU A 22 12.848 -5.618 -6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.671 -3.978 -4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.253 -5.292 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.857 -2.765 -6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.577 -3.086 -7.101 1.00 0.00 H new ATOM 356 N GLN A 23 12.943 -5.858 -3.564 1.00 0.00 N ATOM 357 CA GLN A 23 12.982 -6.860 -2.459 1.00 0.00 C ATOM 358 C GLN A 23 11.825 -7.856 -2.582 1.00 0.00 C ATOM 359 O GLN A 23 11.973 -9.024 -2.284 1.00 0.00 O ATOM 360 CB GLN A 23 12.843 -6.036 -1.178 1.00 0.00 C ATOM 361 CG GLN A 23 12.860 -6.970 0.033 1.00 0.00 C ATOM 362 CD GLN A 23 14.162 -7.772 0.042 1.00 0.00 C ATOM 363 OE1 GLN A 23 15.235 -7.212 -0.071 1.00 0.00 O ATOM 364 NE2 GLN A 23 14.113 -9.070 0.170 1.00 0.00 N ATOM 0 H GLN A 23 12.850 -4.888 -3.264 1.00 0.00 H new ATOM 0 HA GLN A 23 13.899 -7.449 -2.477 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.658 -5.315 -1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.914 -5.466 -1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.771 -6.392 0.953 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.005 -7.645 -0.003 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.212 -9.539 0.265 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.975 -9.615 0.175 1.00 0.00 H new ATOM 373 N ILE A 24 10.661 -7.396 -2.944 1.00 0.00 N ATOM 374 CA ILE A 24 9.490 -8.316 -2.994 1.00 0.00 C ATOM 375 C ILE A 24 9.724 -9.417 -4.031 1.00 0.00 C ATOM 376 O ILE A 24 9.465 -10.578 -3.784 1.00 0.00 O ATOM 377 CB ILE A 24 8.309 -7.435 -3.402 1.00 0.00 C ATOM 378 CG1 ILE A 24 8.037 -6.410 -2.300 1.00 0.00 C ATOM 379 CG2 ILE A 24 7.068 -8.306 -3.605 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.032 -5.374 -2.802 1.00 0.00 C ATOM 0 H ILE A 24 10.469 -6.429 -3.206 1.00 0.00 H new ATOM 0 HA ILE A 24 9.316 -8.813 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 24 8.545 -6.918 -4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.648 -6.909 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.966 -5.919 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.226 -7.678 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.262 -9.039 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.831 -8.823 -2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.839 -4.644 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.439 -4.866 -3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.101 -5.872 -3.072 1.00 0.00 H new ATOM 392 N LYS A 25 10.286 -9.080 -5.159 1.00 0.00 N ATOM 393 CA LYS A 25 10.618 -10.125 -6.161 1.00 0.00 C ATOM 394 C LYS A 25 11.696 -11.062 -5.606 1.00 0.00 C ATOM 395 O LYS A 25 11.487 -12.251 -5.467 1.00 0.00 O ATOM 396 CB LYS A 25 11.138 -9.346 -7.367 1.00 0.00 C ATOM 397 CG LYS A 25 11.729 -10.321 -8.379 1.00 0.00 C ATOM 398 CD LYS A 25 12.254 -9.547 -9.590 1.00 0.00 C ATOM 399 CE LYS A 25 12.768 -10.531 -10.643 1.00 0.00 C ATOM 400 NZ LYS A 25 12.837 -9.739 -11.904 1.00 0.00 N ATOM 0 H LYS A 25 10.529 -8.126 -5.428 1.00 0.00 H new ATOM 0 HA LYS A 25 9.764 -10.752 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.328 -8.776 -7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.895 -8.628 -7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.537 -10.891 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.971 -11.038 -8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.461 -8.929 -10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.055 -8.874 -9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.746 -10.926 -10.370 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.097 -11.384 -10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.182 -10.345 -12.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.890 -9.381 -12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.488 -8.938 -11.776 1.00 0.00 H new ATOM 414 N ASN A 26 12.834 -10.527 -5.255 1.00 0.00 N ATOM 415 CA ASN A 26 13.913 -11.376 -4.669 1.00 0.00 C ATOM 416 C ASN A 26 13.435 -12.049 -3.377 1.00 0.00 C ATOM 417 O ASN A 26 13.783 -13.179 -3.093 1.00 0.00 O ATOM 418 CB ASN A 26 15.061 -10.410 -4.377 1.00 0.00 C ATOM 419 CG ASN A 26 15.697 -9.962 -5.694 1.00 0.00 C ATOM 420 OD1 ASN A 26 15.968 -8.793 -5.885 1.00 0.00 O ATOM 421 ND2 ASN A 26 15.949 -10.849 -6.617 1.00 0.00 N ATOM 0 H ASN A 26 13.064 -9.538 -5.348 1.00 0.00 H new ATOM 0 HA ASN A 26 14.212 -12.178 -5.344 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.692 -9.545 -3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 26 15.807 -10.894 -3.747 1.00 0.00 H new ATOM 0 HD21 ASN A 26 16.373 -10.561 -7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 26 15.722 -11.830 -6.457 1.00 0.00 H new ATOM 428 N GLY A 27 12.700 -11.343 -2.562 1.00 0.00 N ATOM 429 CA GLY A 27 12.274 -11.923 -1.255 1.00 0.00 C ATOM 430 C GLY A 27 10.803 -12.335 -1.332 1.00 0.00 C ATOM 431 O GLY A 27 10.476 -13.500 -1.219 1.00 0.00 O ATOM 0 H GLY A 27 12.376 -10.393 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.892 -12.787 -1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.417 -11.193 -0.458 1.00 0.00 H new ATOM 435 N ALA A 28 9.925 -11.382 -1.536 1.00 0.00 N ATOM 436 CA ALA A 28 8.456 -11.675 -1.653 1.00 0.00 C ATOM 437 C ALA A 28 7.826 -11.812 -0.269 1.00 0.00 C ATOM 438 O ALA A 28 7.837 -12.868 0.331 1.00 0.00 O ATOM 439 CB ALA A 28 8.325 -12.979 -2.450 1.00 0.00 C ATOM 0 H ALA A 28 10.167 -10.395 -1.628 1.00 0.00 H new ATOM 0 HA ALA A 28 7.933 -10.863 -2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.271 -13.233 -2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.773 -12.850 -3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.838 -13.782 -1.921 1.00 0.00 H new ATOM 445 N ASP A 29 7.299 -10.740 0.252 1.00 0.00 N ATOM 446 CA ASP A 29 6.692 -10.790 1.609 1.00 0.00 C ATOM 447 C ASP A 29 6.153 -9.410 1.991 1.00 0.00 C ATOM 448 O ASP A 29 6.807 -8.643 2.665 1.00 0.00 O ATOM 449 CB ASP A 29 7.846 -11.196 2.521 1.00 0.00 C ATOM 450 CG ASP A 29 7.612 -12.615 3.044 1.00 0.00 C ATOM 451 OD1 ASP A 29 6.466 -13.035 3.065 1.00 0.00 O ATOM 452 OD2 ASP A 29 8.581 -13.256 3.415 1.00 0.00 O ATOM 0 H ASP A 29 7.263 -9.829 -0.205 1.00 0.00 H new ATOM 0 HA ASP A 29 5.853 -11.482 1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.788 -11.150 1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.926 -10.499 3.355 1.00 0.00 H new ATOM 457 N PHE A 30 5.011 -9.053 1.474 1.00 0.00 N ATOM 458 CA PHE A 30 4.487 -7.678 1.706 1.00 0.00 C ATOM 459 C PHE A 30 4.264 -7.428 3.201 1.00 0.00 C ATOM 460 O PHE A 30 4.492 -6.344 3.697 1.00 0.00 O ATOM 461 CB PHE A 30 3.160 -7.639 0.950 1.00 0.00 C ATOM 462 CG PHE A 30 2.778 -6.204 0.668 1.00 0.00 C ATOM 463 CD1 PHE A 30 2.016 -5.483 1.597 1.00 0.00 C ATOM 464 CD2 PHE A 30 3.185 -5.595 -0.529 1.00 0.00 C ATOM 465 CE1 PHE A 30 1.661 -4.153 1.331 1.00 0.00 C ATOM 466 CE2 PHE A 30 2.828 -4.265 -0.795 1.00 0.00 C ATOM 467 CZ PHE A 30 2.068 -3.544 0.135 1.00 0.00 C ATOM 0 H PHE A 30 4.418 -9.653 0.901 1.00 0.00 H new ATOM 0 HA PHE A 30 5.181 -6.909 1.365 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.246 -8.193 0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.381 -8.124 1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.702 -5.952 2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.773 -6.150 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.074 -3.597 2.047 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.139 -3.797 -1.717 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.795 -2.519 -0.069 1.00 0.00 H new ATOM 477 N GLY A 31 3.765 -8.402 3.913 1.00 0.00 N ATOM 478 CA GLY A 31 3.465 -8.187 5.359 1.00 0.00 C ATOM 479 C GLY A 31 4.765 -7.955 6.135 1.00 0.00 C ATOM 480 O GLY A 31 4.902 -6.990 6.860 1.00 0.00 O ATOM 0 H GLY A 31 3.552 -9.334 3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.803 -7.329 5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.940 -9.053 5.763 1.00 0.00 H new ATOM 484 N LYS A 32 5.710 -8.846 6.013 1.00 0.00 N ATOM 485 CA LYS A 32 6.986 -8.690 6.773 1.00 0.00 C ATOM 486 C LYS A 32 7.741 -7.444 6.304 1.00 0.00 C ATOM 487 O LYS A 32 8.301 -6.709 7.095 1.00 0.00 O ATOM 488 CB LYS A 32 7.789 -9.951 6.451 1.00 0.00 C ATOM 489 CG LYS A 32 9.171 -9.856 7.099 1.00 0.00 C ATOM 490 CD LYS A 32 9.976 -11.115 6.772 1.00 0.00 C ATOM 491 CE LYS A 32 11.436 -10.906 7.180 1.00 0.00 C ATOM 492 NZ LYS A 32 12.113 -12.193 6.856 1.00 0.00 N ATOM 0 H LYS A 32 5.656 -9.675 5.421 1.00 0.00 H new ATOM 0 HA LYS A 32 6.815 -8.570 7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.264 -10.833 6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.889 -10.065 5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.695 -8.972 6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.071 -9.746 8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.559 -11.973 7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.913 -11.334 5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.884 -10.076 6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.520 -10.672 8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.120 -12.129 7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.670 -12.964 7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.022 -12.386 5.838 1.00 0.00 H new ATOM 506 N LEU A 33 7.773 -7.208 5.023 1.00 0.00 N ATOM 507 CA LEU A 33 8.506 -6.019 4.504 1.00 0.00 C ATOM 508 C LEU A 33 7.820 -4.737 4.976 1.00 0.00 C ATOM 509 O LEU A 33 8.462 -3.783 5.367 1.00 0.00 O ATOM 510 CB LEU A 33 8.428 -6.142 2.980 1.00 0.00 C ATOM 511 CG LEU A 33 9.295 -7.314 2.511 1.00 0.00 C ATOM 512 CD1 LEU A 33 9.031 -7.582 1.029 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.771 -6.972 2.715 1.00 0.00 C ATOM 0 H LEU A 33 7.324 -7.786 4.313 1.00 0.00 H new ATOM 0 HA LEU A 33 9.537 -5.978 4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.394 -6.295 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.767 -5.217 2.513 1.00 0.00 H new ATOM 0 HG LEU A 33 9.047 -8.204 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.648 -8.416 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.979 -7.828 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.278 -6.693 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.387 -7.807 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.021 -6.082 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.958 -6.783 3.772 1.00 0.00 H new ATOM 525 N ALA A 34 6.516 -4.724 4.977 1.00 0.00 N ATOM 526 CA ALA A 34 5.775 -3.525 5.460 1.00 0.00 C ATOM 527 C ALA A 34 6.124 -3.237 6.921 1.00 0.00 C ATOM 528 O ALA A 34 6.359 -2.108 7.300 1.00 0.00 O ATOM 529 CB ALA A 34 4.298 -3.897 5.327 1.00 0.00 C ATOM 0 H ALA A 34 5.929 -5.496 4.662 1.00 0.00 H new ATOM 0 HA ALA A 34 6.026 -2.629 4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.681 -3.064 5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.071 -4.118 4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.087 -4.775 5.938 1.00 0.00 H new ATOM 535 N LYS A 35 6.071 -4.235 7.758 1.00 0.00 N ATOM 536 CA LYS A 35 6.299 -3.997 9.211 1.00 0.00 C ATOM 537 C LYS A 35 7.694 -3.410 9.443 1.00 0.00 C ATOM 538 O LYS A 35 7.869 -2.493 10.222 1.00 0.00 O ATOM 539 CB LYS A 35 6.189 -5.380 9.853 1.00 0.00 C ATOM 540 CG LYS A 35 4.756 -5.898 9.708 1.00 0.00 C ATOM 541 CD LYS A 35 4.647 -7.283 10.350 1.00 0.00 C ATOM 542 CE LYS A 35 3.213 -7.800 10.204 1.00 0.00 C ATOM 543 NZ LYS A 35 3.339 -9.286 10.211 1.00 0.00 N ATOM 0 H LYS A 35 5.880 -5.203 7.500 1.00 0.00 H new ATOM 0 HA LYS A 35 5.585 -3.288 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.886 -6.070 9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.463 -5.326 10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.059 -5.209 10.184 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.482 -5.951 8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.344 -7.973 9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.921 -7.230 11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.583 -7.453 11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.758 -7.446 9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.396 -9.715 10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.939 -9.587 9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.769 -9.594 11.106 1.00 0.00 H new ATOM 557 N LYS A 36 8.698 -3.972 8.827 1.00 0.00 N ATOM 558 CA LYS A 36 10.088 -3.488 9.077 1.00 0.00 C ATOM 559 C LYS A 36 10.299 -2.088 8.487 1.00 0.00 C ATOM 560 O LYS A 36 10.868 -1.221 9.119 1.00 0.00 O ATOM 561 CB LYS A 36 10.987 -4.500 8.369 1.00 0.00 C ATOM 562 CG LYS A 36 10.917 -5.843 9.094 1.00 0.00 C ATOM 563 CD LYS A 36 11.819 -6.850 8.380 1.00 0.00 C ATOM 564 CE LYS A 36 11.753 -8.196 9.102 1.00 0.00 C ATOM 565 NZ LYS A 36 13.157 -8.696 9.104 1.00 0.00 N ATOM 0 H LYS A 36 8.618 -4.743 8.164 1.00 0.00 H new ATOM 0 HA LYS A 36 10.303 -3.410 10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.672 -4.618 7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.015 -4.138 8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.232 -5.726 10.131 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.890 -6.207 9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.503 -6.966 7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.846 -6.485 8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.372 -8.082 10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.087 -8.889 8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.196 -9.618 9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.490 -8.800 8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.766 -8.019 9.606 1.00 0.00 H new ATOM 579 N HIS A 37 9.958 -1.901 7.241 1.00 0.00 N ATOM 580 CA HIS A 37 10.269 -0.604 6.569 1.00 0.00 C ATOM 581 C HIS A 37 9.404 0.528 7.130 1.00 0.00 C ATOM 582 O HIS A 37 9.844 1.655 7.240 1.00 0.00 O ATOM 583 CB HIS A 37 9.962 -0.839 5.090 1.00 0.00 C ATOM 584 CG HIS A 37 10.990 -1.774 4.514 1.00 0.00 C ATOM 585 ND1 HIS A 37 10.743 -2.545 3.390 1.00 0.00 N ATOM 586 CD2 HIS A 37 12.275 -2.068 4.897 1.00 0.00 C ATOM 587 CE1 HIS A 37 11.856 -3.260 3.137 1.00 0.00 C ATOM 588 NE2 HIS A 37 12.820 -3.007 4.026 1.00 0.00 N ATOM 0 H HIS A 37 9.478 -2.588 6.659 1.00 0.00 H new ATOM 0 HA HIS A 37 11.304 -0.303 6.730 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.964 -1.262 4.976 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.971 0.108 4.550 1.00 0.00 H new ATOM 0 HD2 HIS A 37 12.786 -1.636 5.745 1.00 0.00 H new ATOM 0 HE1 HIS A 37 11.957 -3.954 2.315 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.755 -3.414 4.059 1.00 0.00 H new ATOM 596 N SER A 38 8.155 0.266 7.392 1.00 0.00 N ATOM 597 CA SER A 38 7.249 1.364 7.833 1.00 0.00 C ATOM 598 C SER A 38 7.767 1.992 9.131 1.00 0.00 C ATOM 599 O SER A 38 7.840 3.199 9.253 1.00 0.00 O ATOM 600 CB SER A 38 5.898 0.687 8.062 1.00 0.00 C ATOM 601 OG SER A 38 4.900 1.676 8.258 1.00 0.00 O ATOM 0 H SER A 38 7.723 -0.655 7.321 1.00 0.00 H new ATOM 0 HA SER A 38 7.184 2.168 7.100 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.643 0.062 7.206 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.951 0.031 8.931 1.00 0.00 H new ATOM 0 HG SER A 38 4.876 1.933 9.203 1.00 0.00 H new ATOM 607 N ILE A 39 8.155 1.182 10.083 1.00 0.00 N ATOM 608 CA ILE A 39 8.707 1.724 11.364 1.00 0.00 C ATOM 609 C ILE A 39 7.938 2.977 11.795 1.00 0.00 C ATOM 610 O ILE A 39 8.501 3.908 12.336 1.00 0.00 O ATOM 611 CB ILE A 39 10.173 2.056 11.065 1.00 0.00 C ATOM 612 CG1 ILE A 39 10.896 2.383 12.373 1.00 0.00 C ATOM 613 CG2 ILE A 39 10.256 3.259 10.120 1.00 0.00 C ATOM 614 CD1 ILE A 39 12.404 2.454 12.120 1.00 0.00 C ATOM 0 H ILE A 39 8.113 0.164 10.029 1.00 0.00 H new ATOM 0 HA ILE A 39 8.616 1.009 12.182 1.00 0.00 H new ATOM 0 HB ILE A 39 10.645 1.197 10.589 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.538 3.333 12.771 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.678 1.621 13.122 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.301 3.488 9.913 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.744 3.024 9.187 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.781 4.122 10.587 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.919 2.687 13.052 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.755 1.494 11.742 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.614 3.232 11.386 1.00 0.00 H new ATOM 626 N CYS A 40 6.662 3.021 11.525 1.00 0.00 N ATOM 627 CA CYS A 40 5.863 4.230 11.877 1.00 0.00 C ATOM 628 C CYS A 40 4.635 3.819 12.697 1.00 0.00 C ATOM 629 O CYS A 40 4.285 2.657 12.742 1.00 0.00 O ATOM 630 CB CYS A 40 5.453 4.831 10.525 1.00 0.00 C ATOM 631 SG CYS A 40 4.144 3.830 9.772 1.00 0.00 S ATOM 0 H CYS A 40 6.137 2.271 11.075 1.00 0.00 H new ATOM 0 HA CYS A 40 6.418 4.946 12.483 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.105 5.855 10.663 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.316 4.875 9.861 1.00 0.00 H new ATOM 0 HG CYS A 40 4.556 3.364 8.631 1.00 0.00 H new ATOM 637 N PRO A 41 4.011 4.787 13.314 1.00 0.00 N ATOM 638 CA PRO A 41 2.804 4.512 14.125 1.00 0.00 C ATOM 639 C PRO A 41 1.815 3.657 13.327 1.00 0.00 C ATOM 640 O PRO A 41 1.145 2.799 13.868 1.00 0.00 O ATOM 641 CB PRO A 41 2.219 5.897 14.422 1.00 0.00 C ATOM 642 CG PRO A 41 3.056 6.880 13.651 1.00 0.00 C ATOM 643 CD PRO A 41 4.358 6.206 13.319 1.00 0.00 C ATOM 0 HA PRO A 41 3.025 3.958 15.037 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.174 5.952 14.117 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.251 6.112 15.490 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.542 7.190 12.741 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.230 7.780 14.241 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.743 6.529 12.352 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.127 6.429 14.059 1.00 0.00 H new ATOM 651 N SER A 42 1.764 3.839 12.035 1.00 0.00 N ATOM 652 CA SER A 42 0.872 2.987 11.197 1.00 0.00 C ATOM 653 C SER A 42 1.641 1.774 10.666 1.00 0.00 C ATOM 654 O SER A 42 1.139 1.011 9.871 1.00 0.00 O ATOM 655 CB SER A 42 0.422 3.881 10.042 1.00 0.00 C ATOM 656 OG SER A 42 1.376 4.914 9.842 1.00 0.00 O ATOM 0 H SER A 42 2.301 4.540 11.524 1.00 0.00 H new ATOM 0 HA SER A 42 0.024 2.604 11.765 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.314 3.291 9.132 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.555 4.311 10.261 1.00 0.00 H new ATOM 0 HG SER A 42 2.197 4.533 9.466 1.00 0.00 H new ATOM 662 N GLY A 43 2.838 1.557 11.129 1.00 0.00 N ATOM 663 CA GLY A 43 3.584 0.353 10.671 1.00 0.00 C ATOM 664 C GLY A 43 2.737 -0.886 10.964 1.00 0.00 C ATOM 665 O GLY A 43 2.382 -1.635 10.076 1.00 0.00 O ATOM 0 H GLY A 43 3.328 2.152 11.797 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.796 0.423 9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.544 0.285 11.183 1.00 0.00 H new ATOM 669 N LYS A 44 2.329 -1.048 12.192 1.00 0.00 N ATOM 670 CA LYS A 44 1.409 -2.168 12.539 1.00 0.00 C ATOM 671 C LYS A 44 0.084 -2.038 11.773 1.00 0.00 C ATOM 672 O LYS A 44 -0.528 -3.022 11.409 1.00 0.00 O ATOM 673 CB LYS A 44 1.183 -2.032 14.046 1.00 0.00 C ATOM 674 CG LYS A 44 0.310 -3.188 14.542 1.00 0.00 C ATOM 675 CD LYS A 44 0.095 -3.049 16.051 1.00 0.00 C ATOM 676 CE LYS A 44 -0.776 -4.202 16.553 1.00 0.00 C ATOM 677 NZ LYS A 44 -2.172 -3.795 16.228 1.00 0.00 N ATOM 0 H LYS A 44 2.595 -0.450 12.974 1.00 0.00 H new ATOM 0 HA LYS A 44 1.822 -3.141 12.272 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.139 -2.035 14.569 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.702 -1.079 14.267 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.649 -3.182 14.024 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.788 -4.142 14.318 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.055 -3.053 16.567 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.383 -2.095 16.274 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.513 -5.139 16.062 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.648 -4.357 17.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.678 -3.558 17.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.155 -2.964 15.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.659 -4.579 15.748 1.00 0.00 H new ATOM 691 N ARG A 45 -0.423 -0.839 11.641 1.00 0.00 N ATOM 692 CA ARG A 45 -1.770 -0.659 11.037 1.00 0.00 C ATOM 693 C ARG A 45 -1.647 -0.380 9.525 1.00 0.00 C ATOM 694 O ARG A 45 -2.025 -1.197 8.711 1.00 0.00 O ATOM 695 CB ARG A 45 -2.367 0.522 11.833 1.00 0.00 C ATOM 696 CG ARG A 45 -3.208 1.439 10.942 1.00 0.00 C ATOM 697 CD ARG A 45 -4.489 1.821 11.685 1.00 0.00 C ATOM 698 NE ARG A 45 -4.578 3.304 11.561 1.00 0.00 N ATOM 699 CZ ARG A 45 -5.661 3.931 11.938 1.00 0.00 C ATOM 700 NH1 ARG A 45 -6.679 3.262 12.411 1.00 0.00 N ATOM 701 NH2 ARG A 45 -5.727 5.231 11.841 1.00 0.00 N ATOM 0 H ARG A 45 0.042 0.023 11.927 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.409 -1.539 11.100 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.984 0.138 12.645 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.561 1.097 12.289 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.642 2.334 10.683 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.452 0.935 10.007 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.360 1.335 11.246 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.446 1.514 12.730 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.792 3.831 11.181 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.631 2.246 12.487 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.522 3.756 12.704 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.934 5.756 11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.571 5.722 12.135 1.00 0.00 H new ATOM 715 N GLY A 46 -1.135 0.757 9.140 1.00 0.00 N ATOM 716 CA GLY A 46 -1.009 1.064 7.685 1.00 0.00 C ATOM 717 C GLY A 46 -0.271 -0.078 6.978 1.00 0.00 C ATOM 718 O GLY A 46 -0.632 -0.481 5.891 1.00 0.00 O ATOM 0 H GLY A 46 -0.799 1.487 9.768 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.997 1.199 7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.468 2.000 7.547 1.00 0.00 H new ATOM 722 N GLY A 47 0.720 -0.645 7.614 1.00 0.00 N ATOM 723 CA GLY A 47 1.428 -1.810 7.005 1.00 0.00 C ATOM 724 C GLY A 47 0.501 -3.030 7.006 1.00 0.00 C ATOM 725 O GLY A 47 0.813 -4.060 6.442 1.00 0.00 O ATOM 0 H GLY A 47 1.069 -0.353 8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.732 -1.572 5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.337 -2.030 7.565 1.00 0.00 H new ATOM 729 N ASP A 48 -0.650 -2.907 7.606 1.00 0.00 N ATOM 730 CA ASP A 48 -1.624 -4.033 7.617 1.00 0.00 C ATOM 731 C ASP A 48 -2.939 -3.542 8.217 1.00 0.00 C ATOM 732 O ASP A 48 -3.260 -3.817 9.356 1.00 0.00 O ATOM 733 CB ASP A 48 -0.990 -5.106 8.503 1.00 0.00 C ATOM 734 CG ASP A 48 -1.802 -6.399 8.395 1.00 0.00 C ATOM 735 OD1 ASP A 48 -2.970 -6.315 8.050 1.00 0.00 O ATOM 736 OD2 ASP A 48 -1.242 -7.451 8.661 1.00 0.00 O ATOM 0 H ASP A 48 -0.960 -2.066 8.094 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.838 -4.421 6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.041 -5.284 8.196 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.961 -4.767 9.539 1.00 0.00 H new ATOM 741 N LEU A 49 -3.642 -2.719 7.490 1.00 0.00 N ATOM 742 CA LEU A 49 -4.872 -2.088 8.045 1.00 0.00 C ATOM 743 C LEU A 49 -5.969 -3.141 8.209 1.00 0.00 C ATOM 744 O LEU A 49 -6.873 -2.990 9.006 1.00 0.00 O ATOM 745 CB LEU A 49 -5.280 -1.031 7.015 1.00 0.00 C ATOM 746 CG LEU A 49 -4.287 0.137 7.047 1.00 0.00 C ATOM 747 CD1 LEU A 49 -4.142 0.720 5.639 1.00 0.00 C ATOM 748 CD2 LEU A 49 -4.803 1.224 7.992 1.00 0.00 C ATOM 0 H LEU A 49 -3.416 -2.455 6.531 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.706 -1.646 9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.305 -1.472 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.286 -0.671 7.229 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.319 -0.221 7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.436 1.551 5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.775 -0.051 4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.112 1.076 5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.096 2.053 8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.771 1.582 7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.910 0.813 8.996 1.00 0.00 H new ATOM 760 N GLY A 50 -5.911 -4.193 7.441 1.00 0.00 N ATOM 761 CA GLY A 50 -6.966 -5.236 7.530 1.00 0.00 C ATOM 762 C GLY A 50 -8.167 -4.804 6.691 1.00 0.00 C ATOM 763 O GLY A 50 -8.017 -4.310 5.590 1.00 0.00 O ATOM 0 H GLY A 50 -5.178 -4.374 6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.582 -6.191 7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.265 -5.381 8.568 1.00 0.00 H new ATOM 767 N GLU A 51 -9.354 -4.992 7.196 1.00 0.00 N ATOM 768 CA GLU A 51 -10.563 -4.602 6.416 1.00 0.00 C ATOM 769 C GLU A 51 -11.137 -3.280 6.935 1.00 0.00 C ATOM 770 O GLU A 51 -11.390 -3.117 8.112 1.00 0.00 O ATOM 771 CB GLU A 51 -11.552 -5.746 6.626 1.00 0.00 C ATOM 772 CG GLU A 51 -11.546 -6.650 5.392 1.00 0.00 C ATOM 773 CD GLU A 51 -11.878 -8.085 5.806 1.00 0.00 C ATOM 774 OE1 GLU A 51 -11.616 -8.428 6.947 1.00 0.00 O ATOM 775 OE2 GLU A 51 -12.387 -8.818 4.974 1.00 0.00 O ATOM 0 H GLU A 51 -9.540 -5.398 8.113 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.340 -4.446 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.280 -6.319 7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.553 -5.350 6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.274 -6.293 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.569 -6.617 4.909 1.00 0.00 H new ATOM 782 N PHE A 52 -11.380 -2.353 6.050 1.00 0.00 N ATOM 783 CA PHE A 52 -11.981 -1.051 6.462 1.00 0.00 C ATOM 784 C PHE A 52 -13.106 -0.671 5.497 1.00 0.00 C ATOM 785 O PHE A 52 -13.259 -1.275 4.455 1.00 0.00 O ATOM 786 CB PHE A 52 -10.827 -0.048 6.406 1.00 0.00 C ATOM 787 CG PHE A 52 -10.072 -0.171 5.100 1.00 0.00 C ATOM 788 CD1 PHE A 52 -10.724 0.041 3.872 1.00 0.00 C ATOM 789 CD2 PHE A 52 -8.706 -0.488 5.117 1.00 0.00 C ATOM 790 CE1 PHE A 52 -10.010 -0.066 2.672 1.00 0.00 C ATOM 791 CE2 PHE A 52 -7.992 -0.592 3.916 1.00 0.00 C ATOM 792 CZ PHE A 52 -8.645 -0.381 2.693 1.00 0.00 C ATOM 0 H PHE A 52 -11.187 -2.441 5.052 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.426 -1.084 7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -11.214 0.965 6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -10.148 -0.220 7.241 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.776 0.286 3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.203 -0.652 6.058 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.512 0.094 1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.940 -0.834 3.932 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.095 -0.461 1.767 1.00 0.00 H new ATOM 802 N ARG A 53 -14.001 0.187 5.912 1.00 0.00 N ATOM 803 CA ARG A 53 -15.224 0.420 5.089 1.00 0.00 C ATOM 804 C ARG A 53 -15.288 1.865 4.581 1.00 0.00 C ATOM 805 O ARG A 53 -14.967 2.800 5.288 1.00 0.00 O ATOM 806 CB ARG A 53 -16.398 0.131 6.028 1.00 0.00 C ATOM 807 CG ARG A 53 -16.317 -1.316 6.518 1.00 0.00 C ATOM 808 CD ARG A 53 -17.553 -1.643 7.359 1.00 0.00 C ATOM 809 NE ARG A 53 -17.504 -0.694 8.507 1.00 0.00 N ATOM 810 CZ ARG A 53 -18.574 -0.474 9.223 1.00 0.00 C ATOM 811 NH1 ARG A 53 -19.696 -1.079 8.936 1.00 0.00 N ATOM 812 NH2 ARG A 53 -18.525 0.355 10.231 1.00 0.00 N ATOM 0 H ARG A 53 -13.940 0.730 6.773 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.236 -0.215 4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.375 0.815 6.876 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -17.342 0.298 5.509 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -16.253 -1.995 5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.413 -1.460 7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.468 -1.515 6.781 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.534 -2.678 7.702 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.633 -0.215 8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.739 -1.727 8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -20.528 -0.903 9.499 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -17.652 0.830 10.459 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -19.360 0.527 10.791 1.00 0.00 H new ATOM 900 N PRO A 59 -6.401 9.994 -1.826 1.00 0.00 N ATOM 901 CA PRO A 59 -6.181 10.353 -3.242 1.00 0.00 C ATOM 902 C PRO A 59 -5.393 9.260 -3.975 1.00 0.00 C ATOM 903 O PRO A 59 -5.811 8.770 -5.005 1.00 0.00 O ATOM 904 CB PRO A 59 -5.388 11.661 -3.158 1.00 0.00 C ATOM 905 CG PRO A 59 -5.481 12.122 -1.723 1.00 0.00 C ATOM 906 CD PRO A 59 -6.397 11.179 -0.982 1.00 0.00 C ATOM 0 HA PRO A 59 -7.108 10.460 -3.805 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -4.349 11.505 -3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.800 12.410 -3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.493 12.132 -1.262 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.865 13.141 -1.675 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.026 10.960 0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.398 11.596 -0.867 1.00 0.00 H new ATOM 914 N ALA A 60 -4.273 8.857 -3.444 1.00 0.00 N ATOM 915 CA ALA A 60 -3.485 7.776 -4.103 1.00 0.00 C ATOM 916 C ALA A 60 -4.297 6.477 -4.161 1.00 0.00 C ATOM 917 O ALA A 60 -4.306 5.784 -5.159 1.00 0.00 O ATOM 918 CB ALA A 60 -2.248 7.598 -3.221 1.00 0.00 C ATOM 0 H ALA A 60 -3.869 9.228 -2.584 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.224 8.026 -5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.613 6.817 -3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.692 8.535 -3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.556 7.316 -2.214 1.00 0.00 H new ATOM 924 N PHE A 61 -4.976 6.139 -3.098 1.00 0.00 N ATOM 925 CA PHE A 61 -5.783 4.881 -3.096 1.00 0.00 C ATOM 926 C PHE A 61 -6.848 4.922 -4.192 1.00 0.00 C ATOM 927 O PHE A 61 -7.112 3.936 -4.850 1.00 0.00 O ATOM 928 CB PHE A 61 -6.436 4.821 -1.715 1.00 0.00 C ATOM 929 CG PHE A 61 -7.368 3.634 -1.654 1.00 0.00 C ATOM 930 CD1 PHE A 61 -6.890 2.385 -1.228 1.00 0.00 C ATOM 931 CD2 PHE A 61 -8.712 3.779 -2.026 1.00 0.00 C ATOM 932 CE1 PHE A 61 -7.757 1.284 -1.174 1.00 0.00 C ATOM 933 CE2 PHE A 61 -9.578 2.678 -1.972 1.00 0.00 C ATOM 934 CZ PHE A 61 -9.100 1.431 -1.546 1.00 0.00 C ATOM 0 H PHE A 61 -5.008 6.677 -2.232 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.166 4.004 -3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.672 4.738 -0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.987 5.741 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.855 2.272 -0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.080 4.740 -2.354 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.390 0.323 -0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -10.613 2.790 -2.259 1.00 0.00 H new ATOM 0 HZ PHE A 61 -9.767 0.583 -1.504 1.00 0.00 H new ATOM 944 N ASP A 62 -7.473 6.047 -4.389 1.00 0.00 N ATOM 945 CA ASP A 62 -8.524 6.128 -5.442 1.00 0.00 C ATOM 946 C ASP A 62 -7.900 5.879 -6.811 1.00 0.00 C ATOM 947 O ASP A 62 -8.431 5.147 -7.624 1.00 0.00 O ATOM 948 CB ASP A 62 -9.079 7.549 -5.346 1.00 0.00 C ATOM 949 CG ASP A 62 -10.216 7.722 -6.356 1.00 0.00 C ATOM 950 OD1 ASP A 62 -10.275 6.941 -7.292 1.00 0.00 O ATOM 951 OD2 ASP A 62 -11.009 8.632 -6.177 1.00 0.00 O ATOM 0 H ASP A 62 -7.304 6.909 -3.871 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.309 5.384 -5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.443 7.741 -4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.289 8.274 -5.544 1.00 0.00 H new ATOM 956 N LYS A 63 -6.759 6.453 -7.062 1.00 0.00 N ATOM 957 CA LYS A 63 -6.085 6.216 -8.364 1.00 0.00 C ATOM 958 C LYS A 63 -5.836 4.717 -8.568 1.00 0.00 C ATOM 959 O LYS A 63 -6.143 4.168 -9.604 1.00 0.00 O ATOM 960 CB LYS A 63 -4.760 6.973 -8.263 1.00 0.00 C ATOM 961 CG LYS A 63 -5.035 8.478 -8.207 1.00 0.00 C ATOM 962 CD LYS A 63 -3.709 9.236 -8.105 1.00 0.00 C ATOM 963 CE LYS A 63 -3.983 10.741 -8.049 1.00 0.00 C ATOM 964 NZ LYS A 63 -4.232 11.139 -9.464 1.00 0.00 N ATOM 0 H LYS A 63 -6.265 7.075 -6.422 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.685 6.553 -9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.216 6.658 -7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.129 6.739 -9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.578 8.793 -9.098 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.666 8.711 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.166 8.921 -7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.078 9.002 -8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.844 10.962 -7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.134 11.282 -7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.463 11.758 -9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.270 10.289 -10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.137 11.647 -9.527 1.00 0.00 H new ATOM 978 N VAL A 64 -5.159 4.083 -7.643 1.00 0.00 N ATOM 979 CA VAL A 64 -4.750 2.663 -7.871 1.00 0.00 C ATOM 980 C VAL A 64 -5.951 1.715 -7.844 1.00 0.00 C ATOM 981 O VAL A 64 -6.110 0.902 -8.732 1.00 0.00 O ATOM 982 CB VAL A 64 -3.769 2.319 -6.746 1.00 0.00 C ATOM 983 CG1 VAL A 64 -4.360 2.710 -5.389 1.00 0.00 C ATOM 984 CG2 VAL A 64 -3.494 0.814 -6.760 1.00 0.00 C ATOM 0 H VAL A 64 -4.874 4.482 -6.749 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.295 2.548 -8.855 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.842 2.870 -6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.653 2.460 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.558 3.782 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.291 2.167 -5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.796 0.564 -5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.428 0.272 -6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.062 0.532 -7.720 1.00 0.00 H new ATOM 994 N VAL A 65 -6.856 1.859 -6.916 1.00 0.00 N ATOM 995 CA VAL A 65 -8.075 1.007 -6.985 1.00 0.00 C ATOM 996 C VAL A 65 -8.736 1.196 -8.351 1.00 0.00 C ATOM 997 O VAL A 65 -9.345 0.291 -8.887 1.00 0.00 O ATOM 998 CB VAL A 65 -8.995 1.464 -5.849 1.00 0.00 C ATOM 999 CG1 VAL A 65 -9.688 2.773 -6.226 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -10.051 0.384 -5.604 1.00 0.00 C ATOM 0 H VAL A 65 -6.808 2.511 -6.133 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.847 -0.053 -6.873 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.404 1.625 -4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.339 3.088 -5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.938 3.542 -6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.282 2.624 -7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.712 0.698 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.634 0.232 -6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.560 -0.549 -5.328 1.00 0.00 H new ATOM 1010 N PHE A 66 -8.543 2.340 -8.960 1.00 0.00 N ATOM 1011 CA PHE A 66 -9.077 2.547 -10.339 1.00 0.00 C ATOM 1012 C PHE A 66 -7.998 2.238 -11.388 1.00 0.00 C ATOM 1013 O PHE A 66 -8.283 2.129 -12.565 1.00 0.00 O ATOM 1014 CB PHE A 66 -9.479 4.022 -10.398 1.00 0.00 C ATOM 1015 CG PHE A 66 -10.986 4.136 -10.444 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -11.738 3.230 -11.207 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -11.634 5.149 -9.723 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -13.135 3.338 -11.249 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -13.032 5.257 -9.766 1.00 0.00 C ATOM 1020 CZ PHE A 66 -13.782 4.352 -10.530 1.00 0.00 C ATOM 0 H PHE A 66 -8.041 3.135 -8.563 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.919 1.888 -10.552 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.091 4.550 -9.527 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.042 4.494 -11.278 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -11.240 2.449 -11.762 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -11.057 5.846 -9.134 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -13.713 2.639 -11.836 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.531 6.037 -9.210 1.00 0.00 H new ATOM 0 HZ PHE A 66 -14.858 4.436 -10.564 1.00 0.00 H new ATOM 1030 N SER A 67 -6.778 2.026 -10.968 1.00 0.00 N ATOM 1031 CA SER A 67 -5.710 1.644 -11.942 1.00 0.00 C ATOM 1032 C SER A 67 -5.593 0.121 -12.021 1.00 0.00 C ATOM 1033 O SER A 67 -5.458 -0.446 -13.088 1.00 0.00 O ATOM 1034 CB SER A 67 -4.406 2.241 -11.407 1.00 0.00 C ATOM 1035 OG SER A 67 -4.564 3.637 -11.212 1.00 0.00 O ATOM 0 H SER A 67 -6.475 2.100 -9.997 1.00 0.00 H new ATOM 0 HA SER A 67 -5.936 2.013 -12.942 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.134 1.761 -10.467 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.593 2.052 -12.108 1.00 0.00 H new ATOM 0 HG SER A 67 -5.184 3.796 -10.470 1.00 0.00 H new ATOM 1041 N CYS A 68 -5.655 -0.550 -10.902 1.00 0.00 N ATOM 1042 CA CYS A 68 -5.558 -2.038 -10.922 1.00 0.00 C ATOM 1043 C CYS A 68 -6.818 -2.658 -10.314 1.00 0.00 C ATOM 1044 O CYS A 68 -7.434 -2.082 -9.439 1.00 0.00 O ATOM 1045 CB CYS A 68 -4.335 -2.368 -10.065 1.00 0.00 C ATOM 1046 SG CYS A 68 -2.848 -1.710 -10.861 1.00 0.00 S ATOM 0 H CYS A 68 -5.768 -0.134 -9.978 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.465 -2.431 -11.934 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.448 -1.939 -9.069 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.246 -3.447 -9.939 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.091 -2.694 -11.247 1.00 0.00 H new ATOM 1052 N PRO A 69 -7.142 -3.833 -10.782 1.00 0.00 N ATOM 1053 CA PRO A 69 -8.321 -4.559 -10.256 1.00 0.00 C ATOM 1054 C PRO A 69 -8.018 -5.104 -8.858 1.00 0.00 C ATOM 1055 O PRO A 69 -6.876 -5.314 -8.501 1.00 0.00 O ATOM 1056 CB PRO A 69 -8.522 -5.698 -11.250 1.00 0.00 C ATOM 1057 CG PRO A 69 -7.188 -5.895 -11.905 1.00 0.00 C ATOM 1058 CD PRO A 69 -6.448 -4.583 -11.834 1.00 0.00 C ATOM 0 HA PRO A 69 -9.206 -3.930 -10.160 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.850 -6.607 -10.745 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.287 -5.448 -11.985 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.625 -6.680 -11.400 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -7.313 -6.209 -12.941 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.396 -4.732 -11.589 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -6.481 -4.055 -12.787 1.00 0.00 H new ATOM 1066 N VAL A 70 -9.027 -5.342 -8.067 1.00 0.00 N ATOM 1067 CA VAL A 70 -8.782 -5.879 -6.701 1.00 0.00 C ATOM 1068 C VAL A 70 -8.017 -7.204 -6.792 1.00 0.00 C ATOM 1069 O VAL A 70 -7.724 -7.685 -7.869 1.00 0.00 O ATOM 1070 CB VAL A 70 -10.175 -6.089 -6.102 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -10.978 -7.041 -6.990 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -10.050 -6.686 -4.697 1.00 0.00 C ATOM 0 H VAL A 70 -10.006 -5.188 -8.307 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.180 -5.209 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.687 -5.129 -6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.969 -7.189 -6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.074 -6.614 -7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.464 -8.000 -7.054 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.044 -6.834 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.534 -7.644 -4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.483 -6.005 -4.062 1.00 0.00 H new ATOM 1082 N LEU A 71 -7.596 -7.729 -5.677 1.00 0.00 N ATOM 1083 CA LEU A 71 -6.738 -8.952 -5.694 1.00 0.00 C ATOM 1084 C LEU A 71 -5.474 -8.696 -6.520 1.00 0.00 C ATOM 1085 O LEU A 71 -5.021 -9.549 -7.259 1.00 0.00 O ATOM 1086 CB LEU A 71 -7.589 -10.040 -6.353 1.00 0.00 C ATOM 1087 CG LEU A 71 -8.617 -10.565 -5.351 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -9.943 -9.830 -5.556 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -8.827 -12.063 -5.575 1.00 0.00 C ATOM 0 H LEU A 71 -7.809 -7.364 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.419 -9.239 -4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.095 -9.638 -7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.952 -10.855 -6.697 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.257 -10.396 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.679 -10.202 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.795 -8.761 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.302 -10.003 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.560 -12.438 -4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.189 -12.232 -6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.882 -12.588 -5.435 1.00 0.00 H new ATOM 1101 N GLU A 72 -4.900 -7.531 -6.404 1.00 0.00 N ATOM 1102 CA GLU A 72 -3.667 -7.228 -7.185 1.00 0.00 C ATOM 1103 C GLU A 72 -2.854 -6.128 -6.494 1.00 0.00 C ATOM 1104 O GLU A 72 -3.313 -5.011 -6.362 1.00 0.00 O ATOM 1105 CB GLU A 72 -4.172 -6.745 -8.545 1.00 0.00 C ATOM 1106 CG GLU A 72 -3.146 -7.100 -9.623 1.00 0.00 C ATOM 1107 CD GLU A 72 -2.342 -5.851 -9.993 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -2.804 -5.103 -10.839 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -1.280 -5.665 -9.424 1.00 0.00 O ATOM 0 H GLU A 72 -5.230 -6.776 -5.803 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.012 -8.095 -7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.132 -7.208 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.335 -5.667 -8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.478 -7.882 -9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.651 -7.495 -10.505 1.00 0.00 H new ATOM 1116 N PRO A 73 -1.662 -6.477 -6.089 1.00 0.00 N ATOM 1117 CA PRO A 73 -0.772 -5.496 -5.423 1.00 0.00 C ATOM 1118 C PRO A 73 -0.311 -4.435 -6.426 1.00 0.00 C ATOM 1119 O PRO A 73 0.096 -4.744 -7.528 1.00 0.00 O ATOM 1120 CB PRO A 73 0.408 -6.336 -4.940 1.00 0.00 C ATOM 1121 CG PRO A 73 0.388 -7.569 -5.789 1.00 0.00 C ATOM 1122 CD PRO A 73 -1.039 -7.799 -6.211 1.00 0.00 C ATOM 0 HA PRO A 73 -1.261 -4.960 -4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.348 -5.796 -5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 73 0.308 -6.584 -3.883 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.031 -7.446 -6.660 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.767 -8.426 -5.231 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.098 -8.175 -7.232 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.531 -8.533 -5.572 1.00 0.00 H new ATOM 1130 N THR A 74 -0.388 -3.185 -6.061 1.00 0.00 N ATOM 1131 CA THR A 74 0.025 -2.106 -7.003 1.00 0.00 C ATOM 1132 C THR A 74 0.791 -1.013 -6.255 1.00 0.00 C ATOM 1133 O THR A 74 0.543 -0.746 -5.097 1.00 0.00 O ATOM 1134 CB THR A 74 -1.283 -1.550 -7.568 1.00 0.00 C ATOM 1135 OG1 THR A 74 -2.001 -2.594 -8.212 1.00 0.00 O ATOM 1136 CG2 THR A 74 -0.974 -0.442 -8.577 1.00 0.00 C ATOM 0 H THR A 74 -0.719 -2.864 -5.151 1.00 0.00 H new ATOM 0 HA THR A 74 0.685 -2.476 -7.788 1.00 0.00 H new ATOM 0 HB THR A 74 -1.886 -1.142 -6.757 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.981 -2.455 -9.182 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.906 -0.046 -8.979 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.424 0.358 -8.082 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.371 -0.848 -9.390 1.00 0.00 H new ATOM 1144 N GLY A 75 1.738 -0.394 -6.905 1.00 0.00 N ATOM 1145 CA GLY A 75 2.541 0.662 -6.230 1.00 0.00 C ATOM 1146 C GLY A 75 4.025 0.443 -6.543 1.00 0.00 C ATOM 1147 O GLY A 75 4.368 -0.450 -7.292 1.00 0.00 O ATOM 0 H GLY A 75 1.990 -0.575 -7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.227 1.648 -6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.375 0.629 -5.153 1.00 0.00 H new ATOM 1151 N PRO A 76 4.870 1.255 -5.949 1.00 0.00 N ATOM 1152 CA PRO A 76 4.409 2.336 -5.039 1.00 0.00 C ATOM 1153 C PRO A 76 3.799 3.491 -5.841 1.00 0.00 C ATOM 1154 O PRO A 76 4.316 3.890 -6.867 1.00 0.00 O ATOM 1155 CB PRO A 76 5.686 2.772 -4.326 1.00 0.00 C ATOM 1156 CG PRO A 76 6.804 2.396 -5.250 1.00 0.00 C ATOM 1157 CD PRO A 76 6.332 1.229 -6.080 1.00 0.00 C ATOM 0 HA PRO A 76 3.632 2.013 -4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.681 3.844 -4.131 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.788 2.273 -3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.073 3.237 -5.889 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.696 2.128 -4.684 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.640 1.331 -7.121 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.747 0.289 -5.716 1.00 0.00 H new ATOM 1165 N LEU A 77 2.683 4.007 -5.399 1.00 0.00 N ATOM 1166 CA LEU A 77 2.011 5.107 -6.154 1.00 0.00 C ATOM 1167 C LEU A 77 2.423 6.469 -5.593 1.00 0.00 C ATOM 1168 O LEU A 77 2.793 6.590 -4.443 1.00 0.00 O ATOM 1169 CB LEU A 77 0.514 4.883 -5.942 1.00 0.00 C ATOM 1170 CG LEU A 77 -0.267 5.992 -6.648 1.00 0.00 C ATOM 1171 CD1 LEU A 77 -0.063 5.877 -8.160 1.00 0.00 C ATOM 1172 CD2 LEU A 77 -1.756 5.858 -6.321 1.00 0.00 C ATOM 0 H LEU A 77 2.206 3.714 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 77 2.283 5.099 -7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.221 3.909 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.282 4.880 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 77 0.092 6.963 -6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.620 6.667 -8.663 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.997 5.975 -8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.421 4.906 -8.503 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.312 6.649 -6.825 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.117 4.887 -6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.901 5.942 -5.244 1.00 0.00 H new ATOM 1184 N HIS A 78 2.351 7.497 -6.393 1.00 0.00 N ATOM 1185 CA HIS A 78 2.728 8.852 -5.899 1.00 0.00 C ATOM 1186 C HIS A 78 1.601 9.444 -5.047 1.00 0.00 C ATOM 1187 O HIS A 78 0.529 9.742 -5.537 1.00 0.00 O ATOM 1188 CB HIS A 78 2.939 9.692 -7.158 1.00 0.00 C ATOM 1189 CG HIS A 78 3.401 11.069 -6.767 1.00 0.00 C ATOM 1190 ND1 HIS A 78 2.805 12.063 -6.030 1.00 0.00 N flip ATOM 1191 CD2 HIS A 78 4.641 11.567 -7.139 1.00 0.00 C flip ATOM 1192 CE1 HIS A 78 3.657 13.160 -5.946 1.00 0.00 C flip ATOM 1193 NE2 HIS A 78 4.748 12.809 -6.631 1.00 0.00 N flip ATOM 0 H HIS A 78 2.048 7.458 -7.366 1.00 0.00 H new ATOM 0 HA HIS A 78 3.619 8.824 -5.272 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.677 9.219 -7.805 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.011 9.755 -7.726 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.385 11.052 -7.729 1.00 0.00 H new ATOM 0 HE1 HIS A 78 3.475 14.095 -5.436 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.564 13.409 -6.754 1.00 0.00 H new ATOM 1201 N THR A 79 1.882 9.736 -3.808 1.00 0.00 N ATOM 1202 CA THR A 79 0.886 10.448 -2.957 1.00 0.00 C ATOM 1203 C THR A 79 1.579 11.580 -2.196 1.00 0.00 C ATOM 1204 O THR A 79 2.790 11.640 -2.126 1.00 0.00 O ATOM 1205 CB THR A 79 0.346 9.398 -1.977 1.00 0.00 C ATOM 1206 OG1 THR A 79 -0.688 9.976 -1.194 1.00 0.00 O ATOM 1207 CG2 THR A 79 1.473 8.921 -1.059 1.00 0.00 C ATOM 0 H THR A 79 2.763 9.511 -3.345 1.00 0.00 H new ATOM 0 HA THR A 79 0.083 10.889 -3.547 1.00 0.00 H new ATOM 0 HB THR A 79 -0.047 8.549 -2.536 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.037 9.308 -0.568 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.086 8.176 -0.365 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.269 8.479 -1.659 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.869 9.768 -0.499 1.00 0.00 H new ATOM 1215 N GLN A 80 0.827 12.481 -1.632 1.00 0.00 N ATOM 1216 CA GLN A 80 1.455 13.612 -0.890 1.00 0.00 C ATOM 1217 C GLN A 80 2.307 13.074 0.265 1.00 0.00 C ATOM 1218 O GLN A 80 3.359 13.599 0.571 1.00 0.00 O ATOM 1219 CB GLN A 80 0.280 14.437 -0.361 1.00 0.00 C ATOM 1220 CG GLN A 80 0.810 15.657 0.393 1.00 0.00 C ATOM 1221 CD GLN A 80 -0.366 16.481 0.921 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -1.311 15.936 1.458 1.00 0.00 O ATOM 1223 NE2 GLN A 80 -0.349 17.779 0.791 1.00 0.00 N ATOM 0 H GLN A 80 -0.193 12.485 -1.651 1.00 0.00 H new ATOM 0 HA GLN A 80 2.117 14.208 -1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -0.356 14.755 -1.187 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.337 13.828 0.300 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.445 15.339 1.220 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.427 16.266 -0.267 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.444 18.236 0.341 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.128 18.337 1.140 1.00 0.00 H new ATOM 1232 N PHE A 81 1.836 12.060 0.938 1.00 0.00 N ATOM 1233 CA PHE A 81 2.587 11.519 2.109 1.00 0.00 C ATOM 1234 C PHE A 81 3.910 10.883 1.659 1.00 0.00 C ATOM 1235 O PHE A 81 4.734 10.511 2.470 1.00 0.00 O ATOM 1236 CB PHE A 81 1.665 10.456 2.706 1.00 0.00 C ATOM 1237 CG PHE A 81 0.364 11.099 3.120 1.00 0.00 C ATOM 1238 CD1 PHE A 81 0.279 11.791 4.336 1.00 0.00 C ATOM 1239 CD2 PHE A 81 -0.760 11.004 2.287 1.00 0.00 C ATOM 1240 CE1 PHE A 81 -0.930 12.389 4.719 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -1.969 11.602 2.670 1.00 0.00 C ATOM 1242 CZ PHE A 81 -2.053 12.295 3.886 1.00 0.00 C ATOM 0 H PHE A 81 0.961 11.581 0.727 1.00 0.00 H new ATOM 0 HA PHE A 81 2.842 12.299 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.478 9.669 1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.142 9.986 3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.145 11.864 4.978 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.694 10.470 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.996 12.922 5.656 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.835 11.529 2.029 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.984 12.757 4.181 1.00 0.00 H new ATOM 1252 N GLY A 82 4.087 10.689 0.381 1.00 0.00 N ATOM 1253 CA GLY A 82 5.316 10.000 -0.103 1.00 0.00 C ATOM 1254 C GLY A 82 4.921 8.917 -1.111 1.00 0.00 C ATOM 1255 O GLY A 82 4.028 9.102 -1.912 1.00 0.00 O ATOM 0 H GLY A 82 3.435 10.977 -0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.991 10.718 -0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.852 9.555 0.735 1.00 0.00 H new ATOM 1259 N TYR A 83 5.553 7.778 -1.058 1.00 0.00 N ATOM 1260 CA TYR A 83 5.175 6.679 -1.993 1.00 0.00 C ATOM 1261 C TYR A 83 4.330 5.631 -1.266 1.00 0.00 C ATOM 1262 O TYR A 83 4.777 5.003 -0.329 1.00 0.00 O ATOM 1263 CB TYR A 83 6.501 6.080 -2.458 1.00 0.00 C ATOM 1264 CG TYR A 83 7.201 7.069 -3.357 1.00 0.00 C ATOM 1265 CD1 TYR A 83 6.763 7.247 -4.677 1.00 0.00 C ATOM 1266 CD2 TYR A 83 8.283 7.816 -2.870 1.00 0.00 C ATOM 1267 CE1 TYR A 83 7.408 8.171 -5.511 1.00 0.00 C ATOM 1268 CE2 TYR A 83 8.928 8.740 -3.704 1.00 0.00 C ATOM 1269 CZ TYR A 83 8.490 8.918 -5.024 1.00 0.00 C ATOM 1270 OH TYR A 83 9.125 9.827 -5.845 1.00 0.00 O ATOM 0 H TYR A 83 6.311 7.560 -0.412 1.00 0.00 H new ATOM 0 HA TYR A 83 4.577 7.037 -2.831 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.129 5.843 -1.599 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.325 5.146 -2.991 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.929 6.672 -5.051 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.619 7.680 -1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.072 8.307 -6.528 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.762 9.315 -3.330 1.00 0.00 H new ATOM 0 HH TYR A 83 9.853 10.260 -5.352 1.00 0.00 H new ATOM 1280 N HIS A 84 3.144 5.379 -1.743 1.00 0.00 N ATOM 1281 CA HIS A 84 2.311 4.298 -1.133 1.00 0.00 C ATOM 1282 C HIS A 84 2.292 3.066 -2.036 1.00 0.00 C ATOM 1283 O HIS A 84 1.702 3.088 -3.098 1.00 0.00 O ATOM 1284 CB HIS A 84 0.890 4.861 -1.016 1.00 0.00 C ATOM 1285 CG HIS A 84 0.794 5.784 0.167 1.00 0.00 C ATOM 1286 ND1 HIS A 84 -0.224 6.714 0.293 1.00 0.00 N ATOM 1287 CD2 HIS A 84 1.570 5.922 1.291 1.00 0.00 C ATOM 1288 CE1 HIS A 84 -0.038 7.365 1.455 1.00 0.00 C ATOM 1289 NE2 HIS A 84 1.043 6.922 2.104 1.00 0.00 N ATOM 0 H HIS A 84 2.714 5.871 -2.526 1.00 0.00 H new ATOM 0 HA HIS A 84 2.712 4.000 -0.164 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.627 5.398 -1.928 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.175 4.045 -0.909 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -0.978 6.876 -0.374 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.455 5.343 1.511 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.684 8.150 1.819 1.00 0.00 H new ATOM 1297 N ILE A 85 2.702 1.938 -1.528 1.00 0.00 N ATOM 1298 CA ILE A 85 2.427 0.681 -2.280 1.00 0.00 C ATOM 1299 C ILE A 85 1.266 -0.064 -1.616 1.00 0.00 C ATOM 1300 O ILE A 85 1.269 -0.296 -0.423 1.00 0.00 O ATOM 1301 CB ILE A 85 3.724 -0.138 -2.231 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.708 -1.172 -3.359 1.00 0.00 C ATOM 1303 CG2 ILE A 85 3.844 -0.860 -0.886 1.00 0.00 C ATOM 1304 CD1 ILE A 85 5.129 -1.374 -3.888 1.00 0.00 C ATOM 0 H ILE A 85 3.204 1.831 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 85 2.138 0.869 -3.314 1.00 0.00 H new ATOM 0 HB ILE A 85 4.574 0.533 -2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.307 -2.117 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.053 -0.837 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.768 -1.437 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.855 -0.127 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.994 -1.530 -0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.117 -2.111 -4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.513 -0.428 -4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.771 -1.728 -3.081 1.00 0.00 H new ATOM 1316 N ILE A 86 0.199 -0.266 -2.339 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.037 -0.793 -1.697 1.00 0.00 C ATOM 1318 C ILE A 86 -1.374 -2.186 -2.234 1.00 0.00 C ATOM 1319 O ILE A 86 -1.570 -2.371 -3.418 1.00 0.00 O ATOM 1320 CB ILE A 86 -2.131 0.202 -2.083 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.768 1.592 -1.558 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.461 -0.242 -1.472 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.726 2.627 -2.150 1.00 0.00 C ATOM 0 H ILE A 86 0.130 -0.090 -3.341 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.926 -0.892 -0.617 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.222 0.238 -3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.826 1.608 -0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.740 1.837 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.242 0.467 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.721 -1.232 -1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.369 -0.278 -0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.468 3.618 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.646 2.617 -3.237 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.748 2.385 -1.859 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.614 -3.119 -1.358 1.00 0.00 N ATOM 1336 CA LYS A 87 -2.140 -4.439 -1.804 1.00 0.00 C ATOM 1337 C LYS A 87 -3.659 -4.455 -1.640 1.00 0.00 C ATOM 1338 O LYS A 87 -4.179 -4.105 -0.598 1.00 0.00 O ATOM 1339 CB LYS A 87 -1.490 -5.464 -0.875 1.00 0.00 C ATOM 1340 CG LYS A 87 -1.967 -6.867 -1.250 1.00 0.00 C ATOM 1341 CD LYS A 87 -1.222 -7.903 -0.408 1.00 0.00 C ATOM 1342 CE LYS A 87 0.172 -8.131 -0.994 1.00 0.00 C ATOM 1343 NZ LYS A 87 0.667 -9.369 -0.329 1.00 0.00 N ATOM 0 H LYS A 87 -1.469 -3.026 -0.353 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.918 -4.651 -2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.404 -5.404 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.747 -5.246 0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.041 -6.953 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.792 -7.051 -2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.143 -7.560 0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.778 -8.840 -0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.131 -8.253 -2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.829 -7.285 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.621 -9.593 -0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.701 -9.221 0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.025 -10.159 -0.544 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.375 -4.766 -2.686 1.00 0.00 N ATOM 1358 CA VAL A 88 -5.863 -4.691 -2.617 1.00 0.00 C ATOM 1359 C VAL A 88 -6.457 -6.103 -2.587 1.00 0.00 C ATOM 1360 O VAL A 88 -6.176 -6.928 -3.432 1.00 0.00 O ATOM 1361 CB VAL A 88 -6.279 -3.951 -3.892 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -7.796 -3.755 -3.896 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -5.592 -2.584 -3.945 1.00 0.00 C ATOM 0 H VAL A 88 -3.996 -5.068 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.216 -4.181 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.982 -4.539 -4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.092 -3.228 -4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.289 -4.727 -3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.090 -3.170 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.891 -2.062 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.885 -1.996 -3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.511 -2.720 -3.944 1.00 0.00 H new ATOM 1373 N LEU A 89 -7.226 -6.397 -1.577 1.00 0.00 N ATOM 1374 CA LEU A 89 -7.789 -7.764 -1.426 1.00 0.00 C ATOM 1375 C LEU A 89 -9.282 -7.663 -1.073 1.00 0.00 C ATOM 1376 O LEU A 89 -9.629 -7.163 -0.026 1.00 0.00 O ATOM 1377 CB LEU A 89 -7.016 -8.368 -0.260 1.00 0.00 C ATOM 1378 CG LEU A 89 -5.515 -8.292 -0.550 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -4.731 -8.741 0.684 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -5.176 -9.206 -1.729 1.00 0.00 C ATOM 0 H LEU A 89 -7.490 -5.740 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.703 -8.362 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.247 -7.832 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.316 -9.405 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.246 -7.265 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.662 -8.686 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.971 -8.090 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.000 -9.768 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.107 -9.152 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.447 -10.233 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.732 -8.885 -2.610 1.00 0.00 H new ATOM 1392 N TYR A 90 -10.153 -8.088 -1.956 1.00 0.00 N ATOM 1393 CA TYR A 90 -11.636 -7.994 -1.723 1.00 0.00 C ATOM 1394 C TYR A 90 -12.143 -6.591 -2.065 1.00 0.00 C ATOM 1395 O TYR A 90 -13.181 -6.431 -2.676 1.00 0.00 O ATOM 1396 CB TYR A 90 -11.886 -8.317 -0.244 1.00 0.00 C ATOM 1397 CG TYR A 90 -11.054 -9.509 0.171 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -10.736 -10.508 -0.763 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -10.606 -9.623 1.495 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -9.971 -11.616 -0.373 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -9.842 -10.733 1.885 1.00 0.00 C ATOM 1402 CZ TYR A 90 -9.524 -11.729 0.950 1.00 0.00 C ATOM 1403 OH TYR A 90 -8.774 -12.821 1.334 1.00 0.00 O ATOM 0 H TYR A 90 -9.896 -8.506 -2.850 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.172 -8.696 -2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.634 -7.454 0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.943 -8.527 -0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.081 -10.423 -1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -10.849 -8.856 2.215 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.726 -12.383 -1.093 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.499 -10.821 2.905 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.545 -12.743 2.284 1.00 0.00 H new ATOM 1413 N ARG A 91 -11.434 -5.572 -1.663 1.00 0.00 N ATOM 1414 CA ARG A 91 -11.899 -4.185 -1.951 1.00 0.00 C ATOM 1415 C ARG A 91 -13.272 -3.950 -1.313 1.00 0.00 C ATOM 1416 O ARG A 91 -13.673 -4.654 -0.411 1.00 0.00 O ATOM 1417 CB ARG A 91 -12.000 -4.110 -3.473 1.00 0.00 C ATOM 1418 CG ARG A 91 -11.749 -2.674 -3.934 1.00 0.00 C ATOM 1419 CD ARG A 91 -12.645 -2.369 -5.134 1.00 0.00 C ATOM 1420 NE ARG A 91 -11.840 -2.778 -6.319 1.00 0.00 N ATOM 1421 CZ ARG A 91 -12.402 -2.875 -7.496 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -13.672 -2.609 -7.643 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -11.689 -3.237 -8.527 1.00 0.00 N ATOM 0 H ARG A 91 -10.555 -5.639 -1.149 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.224 -3.429 -1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.273 -4.781 -3.929 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.986 -4.440 -3.799 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.958 -1.977 -3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.701 -2.544 -4.205 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.582 -2.924 -5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.904 -1.311 -5.177 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.847 -2.983 -6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.230 -2.324 -6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.106 -2.686 -8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.697 -3.443 -8.414 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.124 -3.314 -9.446 1.00 0.00 H new