USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 729 hydrogens (14 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 NoAdj-H: A 33 ALY H2 : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD NoAdj-H: A 33 ALY H : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD Set 1.1: A 54 SER OG : rot -160:sc= 0.0146 USER MOD Set 1.2: A 57 GLN : amide:sc= -3.75! C(o=-3.7!,f=-8.5!) USER MOD Set 1.3: A 90 GLN : amide:sc= 0.00951 K(o=-3.7,f=-4.3) USER MOD Set 2.1: A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0175) USER MOD Set 2.2: A 70 THR OG1 : rot -32:sc= 1.1 USER MOD Set 3.1: A 48 CYS SG : rot 64:sc= -2.17! USER MOD Set 3.2: A 55 MET CE :methyl -139:sc= -1.09 (180deg=-2.77!) USER MOD Set 4.1: A 35 LYS NZ :NH3+ -170:sc= 2.13 (180deg=0.819) USER MOD Set 4.2: A 38 THR OG1 : rot -130:sc= 0.783 USER MOD Set 5.1: A 28 SER OG : rot -140:sc= 1.18 USER MOD Set 5.2: A 51 GLN : amide:sc= 0.649 K(o=1.8,f=-0.85!) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.13 (180deg=0.953) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= -0.0287 (180deg=-0.253) USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 0.915 (180deg=0.895) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.529 K(o=0.53,f=0) USER MOD Single : A 15 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.0066) USER MOD Single : A 17 HIS : no HE2:sc= 0.721 K(o=0.72,f=-2.2!) USER MOD Single : A 19 ASN : amide:sc= -0.679 K(o=-0.68,f=-0.063) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.929 K(o=-0.93,f=-0.22) USER MOD Single : A 31 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.13) USER MOD Single : A 37 HIS : no HE2:sc= 0.195 K(o=0.2,f=-5.3!) USER MOD Single : A 41 SER OG : rot -132:sc= 0.275 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 168:sc= -1.11 (180deg=-1.48) USER MOD Single : A 45 LYS NZ :NH3+ -140:sc= -0.102 (180deg=-2.2!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.2!) USER MOD Single : A 68 ASN : amide:sc= -2.56! K(o=-2.6!,f=-0.052) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.884 K(o=-0.88,f=-0.27) USER MOD Single : A 78 MET CE :methyl 176:sc= -1.09 (180deg=-1.14) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -3.79! K(o=-3.8!,f=-1.3) USER MOD Single : A 89 GLN : amide:sc= 0.293 K(o=0.29,f=-0.83) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.862 8.744 -20.945 1.00 0.00 N ATOM 2 CA MET A 1 3.215 8.728 -19.611 1.00 0.00 C ATOM 3 C MET A 1 3.728 9.872 -18.725 1.00 0.00 C ATOM 4 O MET A 1 2.949 10.579 -18.098 1.00 0.00 O ATOM 5 CB MET A 1 3.423 7.368 -18.914 1.00 0.00 C ATOM 6 CG MET A 1 4.880 6.979 -18.715 1.00 0.00 C ATOM 7 SD MET A 1 5.075 5.397 -17.880 1.00 0.00 S ATOM 8 CE MET A 1 6.862 5.292 -17.777 1.00 0.00 C ATOM 0 H1 MET A 1 3.625 7.870 -21.456 1.00 0.00 H new ATOM 0 H2 MET A 1 3.522 9.564 -21.486 1.00 0.00 H new ATOM 0 H3 MET A 1 4.894 8.809 -20.830 1.00 0.00 H new ATOM 0 HA MET A 1 2.146 8.877 -19.764 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.930 7.393 -17.942 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.930 6.593 -19.501 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.375 6.935 -19.685 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.382 7.754 -18.136 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.146 4.332 -17.347 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.290 5.383 -18.775 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.238 6.097 -17.146 1.00 0.00 H new ATOM 18 N ALA A 2 5.044 10.069 -18.684 1.00 0.00 N ATOM 19 CA ALA A 2 5.643 11.127 -17.878 1.00 0.00 C ATOM 20 C ALA A 2 6.152 12.236 -18.786 1.00 0.00 C ATOM 21 O ALA A 2 7.189 12.850 -18.538 1.00 0.00 O ATOM 22 CB ALA A 2 6.779 10.559 -17.037 1.00 0.00 C ATOM 0 H ALA A 2 5.718 9.506 -19.203 1.00 0.00 H new ATOM 0 HA ALA A 2 4.891 11.542 -17.207 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.221 11.355 -16.438 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.391 9.782 -16.378 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.539 10.133 -17.692 1.00 0.00 H new ATOM 28 N ASP A 3 5.399 12.495 -19.837 1.00 0.00 N ATOM 29 CA ASP A 3 5.754 13.482 -20.850 1.00 0.00 C ATOM 30 C ASP A 3 5.693 14.892 -20.293 1.00 0.00 C ATOM 31 O ASP A 3 6.402 15.790 -20.755 1.00 0.00 O ATOM 32 CB ASP A 3 4.794 13.371 -22.030 1.00 0.00 C ATOM 33 CG ASP A 3 4.617 11.951 -22.499 1.00 0.00 C ATOM 34 OD1 ASP A 3 3.868 11.193 -21.844 1.00 0.00 O ATOM 35 OD2 ASP A 3 5.227 11.576 -23.511 1.00 0.00 O ATOM 0 H ASP A 3 4.513 12.023 -20.018 1.00 0.00 H new ATOM 0 HA ASP A 3 6.776 13.281 -21.172 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.824 13.779 -21.745 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.166 13.979 -22.855 1.00 0.00 H new ATOM 40 N GLU A 4 4.840 15.093 -19.305 1.00 0.00 N ATOM 41 CA GLU A 4 4.657 16.399 -18.706 1.00 0.00 C ATOM 42 C GLU A 4 5.919 16.875 -17.997 1.00 0.00 C ATOM 43 O GLU A 4 6.579 17.814 -18.443 1.00 0.00 O ATOM 44 CB GLU A 4 3.465 16.386 -17.750 1.00 0.00 C ATOM 45 CG GLU A 4 2.178 15.917 -18.410 1.00 0.00 C ATOM 46 CD GLU A 4 0.964 16.074 -17.523 1.00 0.00 C ATOM 47 OE1 GLU A 4 0.658 15.149 -16.750 1.00 0.00 O ATOM 48 OE2 GLU A 4 0.295 17.123 -17.611 1.00 0.00 O ATOM 0 H GLU A 4 4.259 14.360 -18.899 1.00 0.00 H new ATOM 0 HA GLU A 4 4.450 17.107 -19.508 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.691 15.736 -16.905 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.317 17.389 -17.350 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.023 16.480 -19.330 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.282 14.869 -18.691 1.00 0.00 H new ATOM 55 N LYS A 5 6.271 16.218 -16.919 1.00 0.00 N ATOM 56 CA LYS A 5 7.437 16.602 -16.143 1.00 0.00 C ATOM 57 C LYS A 5 7.911 15.447 -15.266 1.00 0.00 C ATOM 58 O LYS A 5 7.123 14.562 -14.920 1.00 0.00 O ATOM 59 CB LYS A 5 7.105 17.813 -15.264 1.00 0.00 C ATOM 60 CG LYS A 5 6.066 17.524 -14.196 1.00 0.00 C ATOM 61 CD LYS A 5 5.798 18.738 -13.337 1.00 0.00 C ATOM 62 CE LYS A 5 4.889 18.394 -12.178 1.00 0.00 C ATOM 63 NZ LYS A 5 4.558 19.585 -11.359 1.00 0.00 N ATOM 0 H LYS A 5 5.767 15.410 -16.553 1.00 0.00 H new ATOM 0 HA LYS A 5 8.237 16.863 -16.836 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.019 18.164 -14.784 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.746 18.624 -15.898 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.139 17.200 -14.668 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.408 16.702 -13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.740 19.135 -12.959 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.341 19.522 -13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.970 17.949 -12.558 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.370 17.644 -11.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.934 19.305 -10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.433 19.996 -10.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.075 20.290 -11.951 1.00 0.00 H new ATOM 77 N PRO A 6 9.208 15.428 -14.917 1.00 0.00 N ATOM 78 CA PRO A 6 9.768 14.417 -14.027 1.00 0.00 C ATOM 79 C PRO A 6 9.519 14.747 -12.552 1.00 0.00 C ATOM 80 O PRO A 6 8.714 15.620 -12.214 1.00 0.00 O ATOM 81 CB PRO A 6 11.263 14.492 -14.325 1.00 0.00 C ATOM 82 CG PRO A 6 11.492 15.914 -14.701 1.00 0.00 C ATOM 83 CD PRO A 6 10.237 16.382 -15.387 1.00 0.00 C ATOM 0 HA PRO A 6 9.324 13.435 -14.189 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.857 14.210 -13.455 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.542 13.817 -15.134 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.701 16.520 -13.819 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.353 16.006 -15.363 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.989 17.407 -15.113 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.340 16.358 -16.472 1.00 0.00 H new ATOM 91 N LYS A 7 10.224 14.056 -11.678 1.00 0.00 N ATOM 92 CA LYS A 7 10.098 14.270 -10.243 1.00 0.00 C ATOM 93 C LYS A 7 11.452 14.610 -9.627 1.00 0.00 C ATOM 94 O LYS A 7 11.656 14.494 -8.417 1.00 0.00 O ATOM 95 CB LYS A 7 9.477 13.029 -9.561 1.00 0.00 C ATOM 96 CG LYS A 7 9.962 11.671 -10.095 1.00 0.00 C ATOM 97 CD LYS A 7 11.462 11.471 -9.916 1.00 0.00 C ATOM 98 CE LYS A 7 11.878 10.043 -10.236 1.00 0.00 C ATOM 99 NZ LYS A 7 11.274 9.550 -11.501 1.00 0.00 N ATOM 0 H LYS A 7 10.897 13.334 -11.936 1.00 0.00 H new ATOM 0 HA LYS A 7 9.431 15.117 -10.079 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.690 13.078 -8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.394 13.078 -9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.429 10.871 -9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.713 11.591 -11.153 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.002 12.162 -10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.742 11.711 -8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.964 9.991 -10.310 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.583 9.388 -9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.725 8.654 -11.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.255 9.396 -11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.419 10.254 -12.252 1.00 0.00 H new ATOM 113 N GLU A 8 12.368 15.055 -10.465 1.00 0.00 N ATOM 114 CA GLU A 8 13.717 15.367 -10.038 1.00 0.00 C ATOM 115 C GLU A 8 14.150 16.734 -10.559 1.00 0.00 C ATOM 116 O GLU A 8 13.413 17.390 -11.297 1.00 0.00 O ATOM 117 CB GLU A 8 14.672 14.287 -10.525 1.00 0.00 C ATOM 118 CG GLU A 8 14.588 14.025 -12.017 1.00 0.00 C ATOM 119 CD GLU A 8 15.522 12.931 -12.462 1.00 0.00 C ATOM 120 OE1 GLU A 8 16.750 13.117 -12.361 1.00 0.00 O ATOM 121 OE2 GLU A 8 15.034 11.872 -12.909 1.00 0.00 O ATOM 0 H GLU A 8 12.198 15.210 -11.459 1.00 0.00 H new ATOM 0 HA GLU A 8 13.739 15.400 -8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.692 14.576 -10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.462 13.361 -9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.565 13.754 -12.278 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.823 14.942 -12.558 1.00 0.00 H new ATOM 128 N GLY A 9 15.346 17.167 -10.174 1.00 0.00 N ATOM 129 CA GLY A 9 15.839 18.454 -10.575 1.00 0.00 C ATOM 130 C GLY A 9 15.373 19.497 -9.614 1.00 0.00 C ATOM 131 O GLY A 9 16.089 19.878 -8.683 1.00 0.00 O ATOM 0 H GLY A 9 15.984 16.634 -9.583 1.00 0.00 H new ATOM 0 HA2 GLY A 9 16.928 18.441 -10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 9 15.489 18.690 -11.580 1.00 0.00 H new ATOM 135 N VAL A 10 14.164 19.934 -9.805 1.00 0.00 N ATOM 136 CA VAL A 10 13.534 20.898 -8.938 1.00 0.00 C ATOM 137 C VAL A 10 12.118 20.446 -8.677 1.00 0.00 C ATOM 138 O VAL A 10 11.333 20.261 -9.608 1.00 0.00 O ATOM 139 CB VAL A 10 13.524 22.312 -9.565 1.00 0.00 C ATOM 140 CG1 VAL A 10 12.894 23.319 -8.612 1.00 0.00 C ATOM 141 CG2 VAL A 10 14.937 22.734 -9.931 1.00 0.00 C ATOM 0 H VAL A 10 13.574 19.629 -10.579 1.00 0.00 H new ATOM 0 HA VAL A 10 14.100 20.958 -8.008 1.00 0.00 H new ATOM 0 HB VAL A 10 12.923 22.283 -10.474 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.897 24.307 -9.073 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.868 23.023 -8.396 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.466 23.349 -7.685 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.916 23.731 -10.371 1.00 0.00 H new ATOM 0 HG22 VAL A 10 15.557 22.746 -9.034 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.353 22.028 -10.650 1.00 0.00 H new ATOM 151 N LYS A 11 11.772 20.264 -7.427 1.00 0.00 N ATOM 152 CA LYS A 11 10.485 19.752 -7.079 1.00 0.00 C ATOM 153 C LYS A 11 9.946 20.526 -5.894 1.00 0.00 C ATOM 154 O LYS A 11 10.686 20.844 -4.965 1.00 0.00 O ATOM 155 CB LYS A 11 10.608 18.251 -6.745 1.00 0.00 C ATOM 156 CG LYS A 11 9.285 17.539 -6.514 1.00 0.00 C ATOM 157 CD LYS A 11 8.720 17.790 -5.114 1.00 0.00 C ATOM 158 CE LYS A 11 9.489 17.035 -4.039 1.00 0.00 C ATOM 159 NZ LYS A 11 9.146 15.592 -4.030 1.00 0.00 N ATOM 0 H LYS A 11 12.376 20.468 -6.631 1.00 0.00 H new ATOM 0 HA LYS A 11 9.794 19.866 -7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.135 17.754 -7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.224 18.141 -5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.562 17.872 -7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.423 16.468 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.751 18.858 -4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.673 17.490 -5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.560 17.153 -4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.269 17.467 -3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.637 15.123 -3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.119 15.480 -3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.441 15.159 -4.928 1.00 0.00 H new ATOM 173 N THR A 12 8.671 20.845 -5.916 1.00 0.00 N ATOM 174 CA THR A 12 8.042 21.534 -4.819 1.00 0.00 C ATOM 175 C THR A 12 6.614 21.053 -4.659 1.00 0.00 C ATOM 176 O THR A 12 5.914 20.819 -5.644 1.00 0.00 O ATOM 177 CB THR A 12 8.050 23.059 -5.024 1.00 0.00 C ATOM 178 OG1 THR A 12 8.131 23.365 -6.422 1.00 0.00 O ATOM 179 CG2 THR A 12 9.208 23.701 -4.283 1.00 0.00 C ATOM 0 H THR A 12 8.046 20.634 -6.694 1.00 0.00 H new ATOM 0 HA THR A 12 8.613 21.311 -3.918 1.00 0.00 H new ATOM 0 HB THR A 12 7.121 23.463 -4.621 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.134 24.337 -6.544 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.191 24.779 -4.444 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.118 23.492 -3.217 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.148 23.294 -4.655 1.00 0.00 H new ATOM 187 N GLU A 13 6.185 20.883 -3.434 1.00 0.00 N ATOM 188 CA GLU A 13 4.843 20.442 -3.143 1.00 0.00 C ATOM 189 C GLU A 13 4.408 20.991 -1.793 1.00 0.00 C ATOM 190 O GLU A 13 5.241 21.418 -0.991 1.00 0.00 O ATOM 191 CB GLU A 13 4.739 18.905 -3.203 1.00 0.00 C ATOM 192 CG GLU A 13 5.839 18.168 -2.451 1.00 0.00 C ATOM 193 CD GLU A 13 5.809 16.671 -2.700 1.00 0.00 C ATOM 194 OE1 GLU A 13 6.404 16.212 -3.710 1.00 0.00 O ATOM 195 OE2 GLU A 13 5.202 15.946 -1.899 1.00 0.00 O ATOM 0 H GLU A 13 6.759 21.047 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 13 4.165 20.830 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.774 18.603 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.758 18.593 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.809 18.564 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.735 18.358 -1.383 1.00 0.00 H new ATOM 202 N ASN A 14 3.119 20.980 -1.524 1.00 0.00 N ATOM 203 CA ASN A 14 2.585 21.586 -0.305 1.00 0.00 C ATOM 204 C ASN A 14 2.546 20.586 0.827 1.00 0.00 C ATOM 205 O ASN A 14 1.936 20.841 1.873 1.00 0.00 O ATOM 206 CB ASN A 14 1.156 22.096 -0.552 1.00 0.00 C ATOM 207 CG ASN A 14 0.998 22.827 -1.867 1.00 0.00 C ATOM 208 OD1 ASN A 14 1.196 24.039 -1.947 1.00 0.00 O ATOM 209 ND2 ASN A 14 0.635 22.092 -2.906 1.00 0.00 N ATOM 0 H ASN A 14 2.414 20.559 -2.129 1.00 0.00 H new ATOM 0 HA ASN A 14 3.241 22.413 -0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.468 21.251 -0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.870 22.762 0.262 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.509 22.528 -3.820 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.482 21.090 -2.793 1.00 0.00 H new ATOM 216 N ASN A 15 3.207 19.439 0.634 1.00 0.00 N ATOM 217 CA ASN A 15 3.159 18.335 1.598 1.00 0.00 C ATOM 218 C ASN A 15 1.729 17.840 1.676 1.00 0.00 C ATOM 219 O ASN A 15 1.289 17.247 2.664 1.00 0.00 O ATOM 220 CB ASN A 15 3.681 18.758 2.983 1.00 0.00 C ATOM 221 CG ASN A 15 5.136 19.210 2.954 1.00 0.00 C ATOM 222 OD1 ASN A 15 5.556 20.039 3.765 1.00 0.00 O ATOM 223 ND2 ASN A 15 5.916 18.673 2.025 1.00 0.00 N ATOM 0 H ASN A 15 3.784 19.251 -0.186 1.00 0.00 H new ATOM 0 HA ASN A 15 3.814 17.532 1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.061 19.568 3.368 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.579 17.922 3.675 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.898 18.943 1.965 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.534 17.990 1.371 1.00 0.00 H new ATOM 230 N ASP A 16 1.029 18.069 0.580 1.00 0.00 N ATOM 231 CA ASP A 16 -0.352 17.697 0.433 1.00 0.00 C ATOM 232 C ASP A 16 -0.440 16.203 0.229 1.00 0.00 C ATOM 233 O ASP A 16 -0.126 15.668 -0.841 1.00 0.00 O ATOM 234 CB ASP A 16 -1.027 18.490 -0.705 1.00 0.00 C ATOM 235 CG ASP A 16 -0.196 18.569 -1.973 1.00 0.00 C ATOM 236 OD1 ASP A 16 0.815 19.310 -1.990 1.00 0.00 O ATOM 237 OD2 ASP A 16 -0.557 17.915 -2.956 1.00 0.00 O ATOM 0 H ASP A 16 1.418 18.528 -0.244 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.899 17.952 1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.986 18.027 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.237 19.501 -0.356 1.00 0.00 H new ATOM 242 N HIS A 17 -0.832 15.514 1.274 1.00 0.00 N ATOM 243 CA HIS A 17 -0.820 14.076 1.269 1.00 0.00 C ATOM 244 C HIS A 17 -2.169 13.486 1.569 1.00 0.00 C ATOM 245 O HIS A 17 -3.049 14.136 2.126 1.00 0.00 O ATOM 246 CB HIS A 17 0.225 13.550 2.269 1.00 0.00 C ATOM 247 CG HIS A 17 -0.046 13.922 3.702 1.00 0.00 C ATOM 248 ND1 HIS A 17 0.473 15.047 4.297 1.00 0.00 N ATOM 249 CD2 HIS A 17 -0.783 13.303 4.656 1.00 0.00 C ATOM 250 CE1 HIS A 17 0.071 15.103 5.550 1.00 0.00 C ATOM 251 NE2 HIS A 17 -0.692 14.058 5.793 1.00 0.00 N ATOM 0 H HIS A 17 -1.165 15.932 2.143 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.551 13.762 0.260 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.271 12.464 2.190 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.206 13.932 1.986 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.075 15.731 3.840 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.339 12.384 4.540 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.325 15.877 6.259 1.00 0.00 H new ATOM 260 N ILE A 18 -2.318 12.232 1.211 1.00 0.00 N ATOM 261 CA ILE A 18 -3.529 11.499 1.441 1.00 0.00 C ATOM 262 C ILE A 18 -3.198 10.139 2.042 1.00 0.00 C ATOM 263 O ILE A 18 -2.024 9.741 2.116 1.00 0.00 O ATOM 264 CB ILE A 18 -4.335 11.299 0.126 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.453 10.654 -0.950 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.901 12.627 -0.370 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.191 10.312 -2.230 1.00 0.00 C ATOM 0 H ILE A 18 -1.589 11.690 0.746 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.143 12.076 2.132 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.170 10.631 0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.632 11.331 -1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.010 9.745 -0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.461 12.463 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.563 13.046 0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.084 13.322 -0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.498 9.860 -2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.995 9.609 -2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.611 11.220 -2.661 1.00 0.00 H new ATOM 279 N ASN A 19 -4.207 9.441 2.489 1.00 0.00 N ATOM 280 CA ASN A 19 -4.035 8.117 3.053 1.00 0.00 C ATOM 281 C ASN A 19 -4.514 7.091 2.058 1.00 0.00 C ATOM 282 O ASN A 19 -5.595 7.211 1.519 1.00 0.00 O ATOM 283 CB ASN A 19 -4.821 7.993 4.368 1.00 0.00 C ATOM 284 CG ASN A 19 -4.756 6.602 4.985 1.00 0.00 C ATOM 285 OD1 ASN A 19 -5.609 5.760 4.733 1.00 0.00 O ATOM 286 ND2 ASN A 19 -3.745 6.363 5.800 1.00 0.00 N ATOM 0 H ASN A 19 -5.173 9.768 2.475 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.980 7.948 3.269 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.433 8.718 5.084 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.864 8.252 4.185 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.654 5.450 6.246 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.055 7.091 5.984 1.00 0.00 H new ATOM 293 N LEU A 20 -3.709 6.109 1.787 1.00 0.00 N ATOM 294 CA LEU A 20 -4.086 5.073 0.848 1.00 0.00 C ATOM 295 C LEU A 20 -4.142 3.756 1.562 1.00 0.00 C ATOM 296 O LEU A 20 -3.332 3.492 2.459 1.00 0.00 O ATOM 297 CB LEU A 20 -3.106 4.994 -0.342 1.00 0.00 C ATOM 298 CG LEU A 20 -3.018 6.233 -1.261 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.393 6.677 -1.722 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.302 7.368 -0.570 1.00 0.00 C ATOM 0 H LEU A 20 -2.783 5.995 2.199 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.068 5.318 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.110 4.793 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.385 4.137 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.443 5.947 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.296 7.551 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.870 5.868 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.003 6.932 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.253 8.228 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.843 7.642 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.291 7.055 -0.308 1.00 0.00 H new ATOM 312 N LYS A 21 -5.090 2.933 1.207 1.00 0.00 N ATOM 313 CA LYS A 21 -5.233 1.648 1.835 1.00 0.00 C ATOM 314 C LYS A 21 -5.285 0.566 0.794 1.00 0.00 C ATOM 315 O LYS A 21 -5.893 0.716 -0.247 1.00 0.00 O ATOM 316 CB LYS A 21 -6.474 1.602 2.729 1.00 0.00 C ATOM 317 CG LYS A 21 -6.483 2.672 3.808 1.00 0.00 C ATOM 318 CD LYS A 21 -7.618 2.458 4.805 1.00 0.00 C ATOM 319 CE LYS A 21 -8.986 2.548 4.145 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.079 2.294 5.116 1.00 0.00 N ATOM 0 H LYS A 21 -5.779 3.131 0.482 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.364 1.481 2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.363 1.715 2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.536 0.621 3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.529 2.665 4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.585 3.654 3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.507 1.481 5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.549 3.203 5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.113 3.536 3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.046 1.825 3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.997 2.363 4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.971 1.341 5.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.036 2.999 5.879 1.00 0.00 H new ATOM 334 N VAL A 22 -4.657 -0.524 1.076 1.00 0.00 N ATOM 335 CA VAL A 22 -4.577 -1.608 0.136 1.00 0.00 C ATOM 336 C VAL A 22 -5.180 -2.871 0.718 1.00 0.00 C ATOM 337 O VAL A 22 -4.797 -3.315 1.794 1.00 0.00 O ATOM 338 CB VAL A 22 -3.114 -1.847 -0.285 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.236 -1.955 0.918 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.989 -3.071 -1.158 1.00 0.00 C ATOM 0 H VAL A 22 -4.182 -0.697 1.962 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.151 -1.337 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.786 -0.990 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.206 -2.124 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.293 -1.031 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.567 -2.789 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.945 -3.213 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.340 -3.946 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.592 -2.940 -2.057 1.00 0.00 H new ATOM 350 N ALA A 23 -6.115 -3.454 0.002 1.00 0.00 N ATOM 351 CA ALA A 23 -6.789 -4.646 0.460 1.00 0.00 C ATOM 352 C ALA A 23 -6.471 -5.811 -0.457 1.00 0.00 C ATOM 353 O ALA A 23 -6.603 -5.718 -1.677 1.00 0.00 O ATOM 354 CB ALA A 23 -8.290 -4.418 0.529 1.00 0.00 C ATOM 0 H ALA A 23 -6.428 -3.117 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.433 -4.883 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.781 -5.327 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.503 -3.604 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.665 -4.159 -0.461 1.00 0.00 H new ATOM 360 N GLY A 24 -6.038 -6.899 0.118 1.00 0.00 N ATOM 361 CA GLY A 24 -5.724 -8.054 -0.665 1.00 0.00 C ATOM 362 C GLY A 24 -6.836 -9.054 -0.629 1.00 0.00 C ATOM 363 O GLY A 24 -7.660 -9.033 0.282 1.00 0.00 O ATOM 0 H GLY A 24 -5.896 -7.007 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.533 -7.756 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.808 -8.512 -0.291 1.00 0.00 H new ATOM 367 N GLN A 25 -6.877 -9.935 -1.619 1.00 0.00 N ATOM 368 CA GLN A 25 -7.881 -11.006 -1.689 1.00 0.00 C ATOM 369 C GLN A 25 -7.929 -11.862 -0.408 1.00 0.00 C ATOM 370 O GLN A 25 -8.888 -12.585 -0.163 1.00 0.00 O ATOM 371 CB GLN A 25 -7.647 -11.890 -2.930 1.00 0.00 C ATOM 372 CG GLN A 25 -6.172 -12.144 -3.294 1.00 0.00 C ATOM 373 CD GLN A 25 -5.366 -12.810 -2.191 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.366 -14.030 -2.056 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.632 -12.009 -1.427 1.00 0.00 N ATOM 0 H GLN A 25 -6.219 -9.934 -2.399 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.854 -10.522 -1.778 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.134 -12.852 -2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.139 -11.425 -3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.132 -12.769 -4.186 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.703 -11.194 -3.549 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.660 -11.000 -1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.040 -12.403 -0.696 1.00 0.00 H new ATOM 384 N ASP A 26 -6.891 -11.764 0.406 1.00 0.00 N ATOM 385 CA ASP A 26 -6.810 -12.493 1.662 1.00 0.00 C ATOM 386 C ASP A 26 -7.675 -11.829 2.733 1.00 0.00 C ATOM 387 O ASP A 26 -8.107 -12.464 3.694 1.00 0.00 O ATOM 388 CB ASP A 26 -5.347 -12.547 2.125 1.00 0.00 C ATOM 389 CG ASP A 26 -5.196 -12.991 3.563 1.00 0.00 C ATOM 390 OD1 ASP A 26 -5.239 -14.207 3.823 1.00 0.00 O ATOM 391 OD2 ASP A 26 -5.030 -12.119 4.439 1.00 0.00 O ATOM 0 H ASP A 26 -6.080 -11.176 0.215 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.182 -13.505 1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.793 -13.229 1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.898 -11.561 2.006 1.00 0.00 H new ATOM 396 N GLY A 27 -7.971 -10.558 2.543 1.00 0.00 N ATOM 397 CA GLY A 27 -8.748 -9.824 3.514 1.00 0.00 C ATOM 398 C GLY A 27 -7.891 -8.879 4.325 1.00 0.00 C ATOM 399 O GLY A 27 -8.400 -8.062 5.087 1.00 0.00 O ATOM 0 H GLY A 27 -7.685 -10.017 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.527 -9.259 3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.249 -10.524 4.183 1.00 0.00 H new ATOM 403 N SER A 28 -6.580 -8.982 4.166 1.00 0.00 N ATOM 404 CA SER A 28 -5.657 -8.121 4.878 1.00 0.00 C ATOM 405 C SER A 28 -5.597 -6.751 4.197 1.00 0.00 C ATOM 406 O SER A 28 -5.849 -6.634 2.987 1.00 0.00 O ATOM 407 CB SER A 28 -4.264 -8.768 4.928 1.00 0.00 C ATOM 408 OG SER A 28 -3.358 -8.004 5.711 1.00 0.00 O ATOM 0 H SER A 28 -6.133 -9.658 3.546 1.00 0.00 H new ATOM 0 HA SER A 28 -6.007 -7.985 5.901 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.344 -9.773 5.342 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.874 -8.870 3.915 1.00 0.00 H new ATOM 0 HG SER A 28 -2.479 -7.993 5.277 1.00 0.00 H new ATOM 414 N VAL A 29 -5.257 -5.722 4.959 1.00 0.00 N ATOM 415 CA VAL A 29 -5.219 -4.366 4.443 1.00 0.00 C ATOM 416 C VAL A 29 -4.165 -3.532 5.168 1.00 0.00 C ATOM 417 O VAL A 29 -3.984 -3.657 6.378 1.00 0.00 O ATOM 418 CB VAL A 29 -6.619 -3.681 4.537 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.206 -3.832 5.922 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.555 -2.207 4.145 1.00 0.00 C ATOM 0 H VAL A 29 -5.002 -5.804 5.943 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.944 -4.426 3.390 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.272 -4.188 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.181 -3.346 5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.319 -4.891 6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.542 -3.369 6.651 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.549 -1.766 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.872 -1.682 4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.199 -2.119 3.119 1.00 0.00 H new ATOM 430 N VAL A 30 -3.457 -2.690 4.424 1.00 0.00 N ATOM 431 CA VAL A 30 -2.433 -1.835 5.001 1.00 0.00 C ATOM 432 C VAL A 30 -2.743 -0.384 4.682 1.00 0.00 C ATOM 433 O VAL A 30 -3.202 -0.072 3.585 1.00 0.00 O ATOM 434 CB VAL A 30 -1.027 -2.164 4.469 1.00 0.00 C ATOM 435 CG1 VAL A 30 0.034 -1.522 5.349 1.00 0.00 C ATOM 436 CG2 VAL A 30 -0.817 -3.664 4.371 1.00 0.00 C ATOM 0 H VAL A 30 -3.576 -2.583 3.417 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.438 -2.009 6.077 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.936 -1.752 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.024 -1.763 4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.101 -0.440 5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.059 -1.902 6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.185 -3.867 3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.930 -4.112 5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.555 -4.091 3.692 1.00 0.00 H new ATOM 446 N GLN A 31 -2.538 0.500 5.643 1.00 0.00 N ATOM 447 CA GLN A 31 -2.798 1.915 5.437 1.00 0.00 C ATOM 448 C GLN A 31 -1.487 2.700 5.364 1.00 0.00 C ATOM 449 O GLN A 31 -0.537 2.414 6.097 1.00 0.00 O ATOM 450 CB GLN A 31 -3.684 2.482 6.558 1.00 0.00 C ATOM 451 CG GLN A 31 -4.992 1.724 6.811 1.00 0.00 C ATOM 452 CD GLN A 31 -4.847 0.559 7.776 1.00 0.00 C ATOM 453 OE1 GLN A 31 -4.925 0.733 8.990 1.00 0.00 O ATOM 454 NE2 GLN A 31 -4.681 -0.635 7.246 1.00 0.00 N ATOM 0 H GLN A 31 -2.193 0.264 6.573 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.327 2.020 4.490 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.107 2.495 7.483 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.925 3.518 6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.734 2.419 7.204 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.375 1.352 5.861 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.621 -0.740 6.233 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.613 -1.455 7.848 1.00 0.00 H new ATOM 463 N PHE A 32 -1.440 3.703 4.490 1.00 0.00 N ATOM 464 CA PHE A 32 -0.223 4.500 4.290 1.00 0.00 C ATOM 465 C PHE A 32 -0.542 5.981 4.205 1.00 0.00 C ATOM 466 O PHE A 32 -1.637 6.376 3.815 1.00 0.00 O ATOM 467 CB PHE A 32 0.490 4.096 2.996 1.00 0.00 C ATOM 468 CG PHE A 32 0.656 2.625 2.809 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.369 1.876 2.273 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.837 1.991 3.159 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.229 0.530 2.087 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.983 0.631 2.975 1.00 0.00 C ATOM 473 CZ PHE A 32 0.943 -0.099 2.436 1.00 0.00 C ATOM 0 H PHE A 32 -2.228 3.986 3.907 1.00 0.00 H new ATOM 0 HA PHE A 32 0.421 4.310 5.149 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.069 4.495 2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.474 4.564 2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.294 2.359 1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.650 2.565 3.579 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.042 -0.042 1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.905 0.141 3.251 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.050 -1.164 2.288 1.00 0.00 H new HETATM 483 OH ALY A 33 -5.711 9.828 8.294 1.00 0.00 O HETATM 484 CH ALY A 33 -5.376 10.369 7.239 1.00 0.00 C HETATM 485 CH3 ALY A 33 -6.387 10.940 6.283 1.00 0.00 C HETATM 486 NZ ALY A 33 -4.108 10.524 6.903 1.00 0.00 N HETATM 487 CE ALY A 33 -3.057 9.575 7.252 1.00 0.00 C HETATM 488 CD ALY A 33 -1.890 9.651 6.292 1.00 0.00 C HETATM 489 CG ALY A 33 -0.756 8.741 6.726 1.00 0.00 C HETATM 490 CB ALY A 33 0.446 8.902 5.819 1.00 0.00 C HETATM 491 CA ALY A 33 0.301 8.243 4.448 1.00 0.00 C HETATM 492 N ALY A 33 0.426 6.801 4.553 1.00 0.00 N HETATM 493 C ALY A 33 1.366 8.773 3.504 1.00 0.00 C HETATM 494 O ALY A 33 2.539 8.900 3.878 1.00 0.00 O HETATM 0 HH33 ALY A 33 -7.059 10.149 5.949 1.00 0.00 H new HETATM 0 HH32 ALY A 33 -6.963 11.718 6.784 1.00 0.00 H new HETATM 0 HH31 ALY A 33 -5.873 11.367 5.422 1.00 0.00 H new HETATM 0 HZ ALY A 33 -3.849 11.354 6.370 1.00 0.00 H new HETATM 0 HG3 ALY A 33 -1.091 7.704 6.711 1.00 0.00 H new HETATM 0 HG2 ALY A 33 -0.474 8.970 7.754 1.00 0.00 H new HETATM 0 HE3 ALY A 33 -3.465 8.564 7.249 1.00 0.00 H new HETATM 0 HE2 ALY A 33 -2.708 9.775 8.265 1.00 0.00 H new HETATM 0 HD3 ALY A 33 -1.532 10.679 6.233 1.00 0.00 H new HETATM 0 HD2 ALY A 33 -2.221 9.371 5.292 1.00 0.00 H new HETATM 0 HCA ALY A 33 -0.688 8.482 4.058 1.00 0.00 H new HETATM 0 HB3 ALY A 33 1.320 8.484 6.318 1.00 0.00 H new HETATM 0 HB2 ALY A 33 0.638 9.966 5.678 1.00 0.00 H new ATOM 509 N ILE A 34 0.982 9.065 2.272 1.00 0.00 N ATOM 510 CA ILE A 34 1.933 9.547 1.276 1.00 0.00 C ATOM 511 C ILE A 34 1.358 10.738 0.542 1.00 0.00 C ATOM 512 O ILE A 34 0.149 10.976 0.573 1.00 0.00 O ATOM 513 CB ILE A 34 2.318 8.452 0.236 1.00 0.00 C ATOM 514 CG1 ILE A 34 1.139 8.139 -0.689 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.782 7.184 0.941 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.484 7.200 -1.827 1.00 0.00 C ATOM 0 H ILE A 34 0.023 8.978 1.936 1.00 0.00 H new ATOM 0 HA ILE A 34 2.836 9.830 1.817 1.00 0.00 H new ATOM 0 HB ILE A 34 3.138 8.837 -0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.334 7.700 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.758 9.072 -1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.046 6.431 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.653 7.408 1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.979 6.804 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.598 7.027 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.266 7.645 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.836 6.251 -1.422 1.00 0.00 H new ATOM 528 N LYS A 35 2.209 11.496 -0.120 1.00 0.00 N ATOM 529 CA LYS A 35 1.749 12.653 -0.853 1.00 0.00 C ATOM 530 C LYS A 35 1.111 12.235 -2.159 1.00 0.00 C ATOM 531 O LYS A 35 1.485 11.229 -2.748 1.00 0.00 O ATOM 532 CB LYS A 35 2.884 13.658 -1.107 1.00 0.00 C ATOM 533 CG LYS A 35 3.348 14.409 0.143 1.00 0.00 C ATOM 534 CD LYS A 35 4.245 13.554 1.026 1.00 0.00 C ATOM 535 CE LYS A 35 5.719 13.882 0.815 1.00 0.00 C ATOM 536 NZ LYS A 35 6.111 13.839 -0.616 1.00 0.00 N ATOM 0 H LYS A 35 3.215 11.332 -0.164 1.00 0.00 H new ATOM 0 HA LYS A 35 1.000 13.152 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.735 13.128 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.553 14.383 -1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.885 15.309 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.478 14.731 0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.983 13.711 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.072 12.500 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.928 14.874 1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.329 13.175 1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.146 13.900 -0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.784 12.947 -1.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.678 14.640 -1.119 1.00 0.00 H new ATOM 550 N ARG A 36 0.149 13.016 -2.625 1.00 0.00 N ATOM 551 CA ARG A 36 -0.533 12.721 -3.887 1.00 0.00 C ATOM 552 C ARG A 36 0.407 12.954 -5.059 1.00 0.00 C ATOM 553 O ARG A 36 0.113 12.610 -6.198 1.00 0.00 O ATOM 554 CB ARG A 36 -1.806 13.576 -4.039 1.00 0.00 C ATOM 555 CG ARG A 36 -1.563 15.079 -4.008 1.00 0.00 C ATOM 556 CD ARG A 36 -1.251 15.637 -5.395 1.00 0.00 C ATOM 557 NE ARG A 36 -0.816 17.025 -5.330 1.00 0.00 N ATOM 558 CZ ARG A 36 -0.851 17.886 -6.344 1.00 0.00 C ATOM 559 NH1 ARG A 36 -1.374 17.528 -7.509 1.00 0.00 N ATOM 560 NH2 ARG A 36 -0.391 19.118 -6.177 1.00 0.00 N ATOM 0 H ARG A 36 -0.181 13.858 -2.154 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.830 11.672 -3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.292 13.318 -4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.501 13.316 -3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.443 15.580 -3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.735 15.299 -3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.474 15.033 -5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.137 15.562 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.456 17.364 -4.438 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.752 16.589 -7.631 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.398 18.192 -8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.012 19.403 -5.274 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.416 19.781 -6.952 1.00 0.00 H new ATOM 574 N HIS A 37 1.556 13.523 -4.764 1.00 0.00 N ATOM 575 CA HIS A 37 2.556 13.822 -5.763 1.00 0.00 C ATOM 576 C HIS A 37 3.682 12.795 -5.643 1.00 0.00 C ATOM 577 O HIS A 37 4.588 12.721 -6.469 1.00 0.00 O ATOM 578 CB HIS A 37 3.083 15.242 -5.532 1.00 0.00 C ATOM 579 CG HIS A 37 4.112 15.687 -6.516 1.00 0.00 C ATOM 580 ND1 HIS A 37 5.396 16.001 -6.155 1.00 0.00 N ATOM 581 CD2 HIS A 37 4.044 15.871 -7.854 1.00 0.00 C ATOM 582 CE1 HIS A 37 6.074 16.356 -7.221 1.00 0.00 C ATOM 583 NE2 HIS A 37 5.282 16.289 -8.269 1.00 0.00 N ATOM 0 H HIS A 37 1.823 13.793 -3.817 1.00 0.00 H new ATOM 0 HA HIS A 37 2.133 13.770 -6.766 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.244 15.937 -5.563 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.508 15.300 -4.530 1.00 0.00 H new ATOM 0 HD1 HIS A 37 5.767 15.964 -5.206 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.177 15.717 -8.479 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.112 16.654 -7.235 1.00 0.00 H new ATOM 592 N THR A 38 3.597 12.004 -4.597 1.00 0.00 N ATOM 593 CA THR A 38 4.545 10.962 -4.299 1.00 0.00 C ATOM 594 C THR A 38 4.146 9.663 -5.018 1.00 0.00 C ATOM 595 O THR A 38 2.969 9.327 -5.069 1.00 0.00 O ATOM 596 CB THR A 38 4.590 10.743 -2.757 1.00 0.00 C ATOM 597 OG1 THR A 38 5.508 11.661 -2.144 1.00 0.00 O ATOM 598 CG2 THR A 38 4.947 9.317 -2.383 1.00 0.00 C ATOM 0 H THR A 38 2.844 12.073 -3.913 1.00 0.00 H new ATOM 0 HA THR A 38 5.535 11.254 -4.650 1.00 0.00 H new ATOM 0 HB THR A 38 3.585 10.933 -2.381 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.116 11.170 -1.552 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.965 9.219 -1.298 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.204 8.635 -2.797 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.930 9.070 -2.785 1.00 0.00 H new ATOM 606 N PRO A 39 5.120 8.934 -5.602 1.00 0.00 N ATOM 607 CA PRO A 39 4.844 7.680 -6.313 1.00 0.00 C ATOM 608 C PRO A 39 4.217 6.622 -5.398 1.00 0.00 C ATOM 609 O PRO A 39 4.756 6.291 -4.337 1.00 0.00 O ATOM 610 CB PRO A 39 6.227 7.221 -6.804 1.00 0.00 C ATOM 611 CG PRO A 39 7.208 7.970 -5.968 1.00 0.00 C ATOM 612 CD PRO A 39 6.552 9.273 -5.616 1.00 0.00 C ATOM 0 HA PRO A 39 4.125 7.822 -7.120 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.350 6.144 -6.685 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.362 7.442 -7.863 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.463 7.408 -5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.137 8.137 -6.514 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.888 9.644 -4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.776 10.048 -6.349 1.00 0.00 H new ATOM 620 N LEU A 40 3.077 6.084 -5.819 1.00 0.00 N ATOM 621 CA LEU A 40 2.350 5.081 -5.038 1.00 0.00 C ATOM 622 C LEU A 40 3.115 3.759 -4.935 1.00 0.00 C ATOM 623 O LEU A 40 2.829 2.925 -4.071 1.00 0.00 O ATOM 624 CB LEU A 40 0.927 4.865 -5.598 1.00 0.00 C ATOM 625 CG LEU A 40 0.787 4.757 -7.130 1.00 0.00 C ATOM 626 CD1 LEU A 40 1.457 3.502 -7.666 1.00 0.00 C ATOM 627 CD2 LEU A 40 -0.679 4.785 -7.528 1.00 0.00 C ATOM 0 H LEU A 40 2.631 6.326 -6.704 1.00 0.00 H new ATOM 0 HA LEU A 40 2.259 5.471 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.524 3.954 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.300 5.689 -5.258 1.00 0.00 H new ATOM 0 HG LEU A 40 1.292 5.616 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.338 3.460 -8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.518 3.522 -7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.996 2.623 -7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.763 4.708 -8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.198 3.947 -7.063 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.129 5.720 -7.195 1.00 0.00 H new ATOM 639 N SER A 41 4.087 3.568 -5.818 1.00 0.00 N ATOM 640 CA SER A 41 4.897 2.357 -5.842 1.00 0.00 C ATOM 641 C SER A 41 5.569 2.098 -4.499 1.00 0.00 C ATOM 642 O SER A 41 5.817 0.948 -4.126 1.00 0.00 O ATOM 643 CB SER A 41 5.938 2.462 -6.942 1.00 0.00 C ATOM 644 OG SER A 41 6.459 3.778 -7.020 1.00 0.00 O ATOM 0 H SER A 41 4.336 4.247 -6.537 1.00 0.00 H new ATOM 0 HA SER A 41 4.237 1.513 -6.042 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.747 1.757 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.493 2.185 -7.898 1.00 0.00 H new ATOM 0 HG SER A 41 6.450 4.078 -7.953 1.00 0.00 H new ATOM 650 N LYS A 42 5.844 3.168 -3.761 1.00 0.00 N ATOM 651 CA LYS A 42 6.476 3.062 -2.459 1.00 0.00 C ATOM 652 C LYS A 42 5.608 2.234 -1.512 1.00 0.00 C ATOM 653 O LYS A 42 6.097 1.330 -0.832 1.00 0.00 O ATOM 654 CB LYS A 42 6.726 4.458 -1.880 1.00 0.00 C ATOM 655 CG LYS A 42 7.550 5.358 -2.799 1.00 0.00 C ATOM 656 CD LYS A 42 7.713 6.760 -2.228 1.00 0.00 C ATOM 657 CE LYS A 42 8.584 6.762 -0.987 1.00 0.00 C ATOM 658 NZ LYS A 42 8.754 8.128 -0.429 1.00 0.00 N ATOM 0 H LYS A 42 5.636 4.124 -4.049 1.00 0.00 H new ATOM 0 HA LYS A 42 7.435 2.557 -2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.768 4.937 -1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.240 4.360 -0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.533 4.914 -2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.068 5.418 -3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.153 7.411 -2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.733 7.170 -1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.140 6.114 -0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.562 6.345 -1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.356 8.085 0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.201 8.740 -1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.824 8.517 -0.173 1.00 0.00 H new ATOM 672 N LEU A 43 4.308 2.526 -1.488 1.00 0.00 N ATOM 673 CA LEU A 43 3.384 1.790 -0.634 1.00 0.00 C ATOM 674 C LEU A 43 3.166 0.386 -1.174 1.00 0.00 C ATOM 675 O LEU A 43 3.022 -0.567 -0.417 1.00 0.00 O ATOM 676 CB LEU A 43 2.032 2.538 -0.472 1.00 0.00 C ATOM 677 CG LEU A 43 1.002 2.411 -1.617 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.183 1.123 -1.498 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.075 3.607 -1.632 1.00 0.00 C ATOM 0 H LEU A 43 3.876 3.262 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 43 3.833 1.716 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.560 2.184 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.249 3.597 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 43 1.559 2.375 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.531 1.068 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.851 0.262 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.355 1.120 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.643 3.500 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.457 3.667 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.657 4.517 -1.779 1.00 0.00 H new ATOM 691 N MET A 44 3.150 0.255 -2.502 1.00 0.00 N ATOM 692 CA MET A 44 2.914 -1.037 -3.130 1.00 0.00 C ATOM 693 C MET A 44 4.015 -2.019 -2.776 1.00 0.00 C ATOM 694 O MET A 44 3.753 -3.171 -2.417 1.00 0.00 O ATOM 695 CB MET A 44 2.787 -0.908 -4.651 1.00 0.00 C ATOM 696 CG MET A 44 1.641 -0.019 -5.109 1.00 0.00 C ATOM 697 SD MET A 44 1.178 -0.308 -6.833 1.00 0.00 S ATOM 698 CE MET A 44 2.730 -0.022 -7.676 1.00 0.00 C ATOM 0 H MET A 44 3.297 1.024 -3.155 1.00 0.00 H new ATOM 0 HA MET A 44 1.968 -1.418 -2.744 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.721 -0.512 -5.050 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.654 -1.902 -5.079 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.775 -0.193 -4.471 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.925 1.026 -4.984 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.653 -0.368 -8.707 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.958 1.044 -7.667 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.526 -0.568 -7.169 1.00 0.00 H new ATOM 708 N LYS A 45 5.257 -1.573 -2.868 1.00 0.00 N ATOM 709 CA LYS A 45 6.378 -2.423 -2.525 1.00 0.00 C ATOM 710 C LYS A 45 6.418 -2.668 -1.033 1.00 0.00 C ATOM 711 O LYS A 45 6.720 -3.771 -0.588 1.00 0.00 O ATOM 712 CB LYS A 45 7.690 -1.827 -3.014 1.00 0.00 C ATOM 713 CG LYS A 45 7.761 -1.695 -4.525 1.00 0.00 C ATOM 714 CD LYS A 45 9.161 -1.359 -5.023 1.00 0.00 C ATOM 715 CE LYS A 45 10.141 -2.512 -4.803 1.00 0.00 C ATOM 716 NZ LYS A 45 10.797 -2.461 -3.466 1.00 0.00 N ATOM 0 H LYS A 45 5.510 -0.634 -3.175 1.00 0.00 H new ATOM 0 HA LYS A 45 6.244 -3.381 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.825 -0.844 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.515 -2.451 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.432 -2.628 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.069 -0.919 -4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.119 -1.117 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.525 -0.470 -4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.611 -3.459 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.905 -2.487 -5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.799 -2.724 -3.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.727 -1.497 -3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.324 -3.126 -2.822 1.00 0.00 H new ATOM 730 N ALA A 46 6.073 -1.650 -0.255 1.00 0.00 N ATOM 731 CA ALA A 46 6.050 -1.778 1.192 1.00 0.00 C ATOM 732 C ALA A 46 5.031 -2.825 1.603 1.00 0.00 C ATOM 733 O ALA A 46 5.254 -3.599 2.529 1.00 0.00 O ATOM 734 CB ALA A 46 5.734 -0.444 1.840 1.00 0.00 C ATOM 0 H ALA A 46 5.806 -0.729 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 46 7.036 -2.095 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.721 -0.560 2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.495 0.285 1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.758 -0.097 1.501 1.00 0.00 H new ATOM 740 N TYR A 47 3.907 -2.857 0.888 1.00 0.00 N ATOM 741 CA TYR A 47 2.860 -3.830 1.129 1.00 0.00 C ATOM 742 C TYR A 47 3.408 -5.236 0.980 1.00 0.00 C ATOM 743 O TYR A 47 3.340 -6.034 1.898 1.00 0.00 O ATOM 744 CB TYR A 47 1.709 -3.615 0.138 1.00 0.00 C ATOM 745 CG TYR A 47 0.615 -4.664 0.197 1.00 0.00 C ATOM 746 CD1 TYR A 47 -0.442 -4.530 1.068 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.642 -5.777 -0.633 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.455 -5.469 1.121 1.00 0.00 C ATOM 749 CE2 TYR A 47 -0.363 -6.725 -0.587 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.411 -6.566 0.292 1.00 0.00 C ATOM 751 OH TYR A 47 -2.424 -7.502 0.337 1.00 0.00 O ATOM 0 H TYR A 47 3.704 -2.207 0.128 1.00 0.00 H new ATOM 0 HA TYR A 47 2.488 -3.701 2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.266 -2.637 0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.117 -3.593 -0.872 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.481 -3.673 1.724 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.461 -5.904 -1.325 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.277 -5.342 1.810 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.326 -7.586 -1.237 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.242 -8.213 -0.312 1.00 0.00 H new ATOM 761 N CYS A 48 3.992 -5.517 -0.167 1.00 0.00 N ATOM 762 CA CYS A 48 4.518 -6.837 -0.459 1.00 0.00 C ATOM 763 C CYS A 48 5.597 -7.222 0.545 1.00 0.00 C ATOM 764 O CYS A 48 5.600 -8.326 1.090 1.00 0.00 O ATOM 765 CB CYS A 48 5.097 -6.864 -1.875 1.00 0.00 C ATOM 766 SG CYS A 48 4.011 -6.170 -3.138 1.00 0.00 S ATOM 0 H CYS A 48 4.116 -4.841 -0.921 1.00 0.00 H new ATOM 0 HA CYS A 48 3.703 -7.557 -0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.038 -6.314 -1.880 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.329 -7.896 -2.140 1.00 0.00 H new ATOM 0 HG CYS A 48 3.824 -4.905 -2.902 1.00 0.00 H new ATOM 772 N GLU A 49 6.487 -6.293 0.821 1.00 0.00 N ATOM 773 CA GLU A 49 7.610 -6.538 1.706 1.00 0.00 C ATOM 774 C GLU A 49 7.181 -6.766 3.165 1.00 0.00 C ATOM 775 O GLU A 49 7.828 -7.517 3.898 1.00 0.00 O ATOM 776 CB GLU A 49 8.622 -5.400 1.579 1.00 0.00 C ATOM 777 CG GLU A 49 9.255 -5.340 0.193 1.00 0.00 C ATOM 778 CD GLU A 49 10.176 -4.157 -0.012 1.00 0.00 C ATOM 779 OE1 GLU A 49 11.119 -3.985 0.777 1.00 0.00 O ATOM 780 OE2 GLU A 49 9.978 -3.407 -0.996 1.00 0.00 O ATOM 0 H GLU A 49 6.454 -5.347 0.440 1.00 0.00 H new ATOM 0 HA GLU A 49 8.085 -7.468 1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.128 -4.452 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.404 -5.527 2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.816 -6.258 0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.463 -5.305 -0.556 1.00 0.00 H new ATOM 787 N ARG A 50 6.086 -6.142 3.591 1.00 0.00 N ATOM 788 CA ARG A 50 5.601 -6.324 4.967 1.00 0.00 C ATOM 789 C ARG A 50 4.605 -7.491 5.065 1.00 0.00 C ATOM 790 O ARG A 50 4.546 -8.193 6.074 1.00 0.00 O ATOM 791 CB ARG A 50 4.959 -5.033 5.512 1.00 0.00 C ATOM 792 CG ARG A 50 3.628 -4.672 4.865 1.00 0.00 C ATOM 793 CD ARG A 50 3.017 -3.424 5.483 1.00 0.00 C ATOM 794 NE ARG A 50 2.811 -3.566 6.927 1.00 0.00 N ATOM 795 CZ ARG A 50 2.764 -2.548 7.795 1.00 0.00 C ATOM 796 NH1 ARG A 50 2.998 -1.303 7.388 1.00 0.00 N ATOM 797 NH2 ARG A 50 2.507 -2.785 9.078 1.00 0.00 N ATOM 0 H ARG A 50 5.522 -5.514 3.018 1.00 0.00 H new ATOM 0 HA ARG A 50 6.470 -6.563 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.810 -5.141 6.586 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.655 -4.207 5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.775 -4.513 3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.935 -5.506 4.971 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.668 -2.570 5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.063 -3.211 5.001 1.00 0.00 H new ATOM 0 HE ARG A 50 2.695 -4.509 7.298 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.215 -1.119 6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.960 -0.533 8.055 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.346 -3.740 9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.470 -2.012 9.742 1.00 0.00 H new ATOM 811 N GLN A 51 3.814 -7.689 4.017 1.00 0.00 N ATOM 812 CA GLN A 51 2.805 -8.751 3.992 1.00 0.00 C ATOM 813 C GLN A 51 3.415 -10.101 3.706 1.00 0.00 C ATOM 814 O GLN A 51 2.840 -11.138 4.024 1.00 0.00 O ATOM 815 CB GLN A 51 1.751 -8.438 2.941 1.00 0.00 C ATOM 816 CG GLN A 51 0.935 -7.219 3.259 1.00 0.00 C ATOM 817 CD GLN A 51 -0.014 -7.441 4.413 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.173 -7.792 4.218 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.474 -7.268 5.623 1.00 0.00 N ATOM 0 H GLN A 51 3.850 -7.126 3.167 1.00 0.00 H new ATOM 0 HA GLN A 51 2.347 -8.792 4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.240 -8.297 1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.085 -9.295 2.838 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.603 -6.391 3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.366 -6.927 2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.443 -6.975 5.745 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.117 -7.427 6.439 1.00 0.00 H new ATOM 828 N GLY A 52 4.575 -10.095 3.107 1.00 0.00 N ATOM 829 CA GLY A 52 5.202 -11.332 2.751 1.00 0.00 C ATOM 830 C GLY A 52 4.770 -11.779 1.379 1.00 0.00 C ATOM 831 O GLY A 52 4.540 -12.960 1.131 1.00 0.00 O ATOM 0 H GLY A 52 5.098 -9.255 2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.285 -11.215 2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.947 -12.097 3.484 1.00 0.00 H new ATOM 835 N LEU A 53 4.659 -10.824 0.474 1.00 0.00 N ATOM 836 CA LEU A 53 4.264 -11.093 -0.893 1.00 0.00 C ATOM 837 C LEU A 53 5.324 -10.563 -1.837 1.00 0.00 C ATOM 838 O LEU A 53 6.202 -9.801 -1.435 1.00 0.00 O ATOM 839 CB LEU A 53 2.914 -10.448 -1.225 1.00 0.00 C ATOM 840 CG LEU A 53 1.658 -11.181 -0.747 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.633 -12.619 -1.241 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.515 -11.124 0.757 1.00 0.00 C ATOM 0 H LEU A 53 4.841 -9.839 0.668 1.00 0.00 H new ATOM 0 HA LEU A 53 4.161 -12.172 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.904 -9.445 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.849 -10.335 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 53 0.802 -10.663 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.728 -13.111 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.646 -12.630 -2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.507 -13.149 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.612 -11.655 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.383 -11.591 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.447 -10.084 1.077 1.00 0.00 H new ATOM 854 N SER A 54 5.264 -10.963 -3.080 1.00 0.00 N ATOM 855 CA SER A 54 6.212 -10.498 -4.068 1.00 0.00 C ATOM 856 C SER A 54 5.488 -9.740 -5.173 1.00 0.00 C ATOM 857 O SER A 54 4.303 -9.971 -5.418 1.00 0.00 O ATOM 858 CB SER A 54 6.940 -11.692 -4.669 1.00 0.00 C ATOM 859 OG SER A 54 7.417 -12.561 -3.664 1.00 0.00 O ATOM 0 H SER A 54 4.565 -11.614 -3.438 1.00 0.00 H new ATOM 0 HA SER A 54 6.928 -9.831 -3.588 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.267 -12.235 -5.333 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.775 -11.343 -5.277 1.00 0.00 H new ATOM 0 HG SER A 54 8.129 -13.125 -4.031 1.00 0.00 H new ATOM 865 N MET A 55 6.198 -8.845 -5.854 1.00 0.00 N ATOM 866 CA MET A 55 5.626 -8.098 -6.973 1.00 0.00 C ATOM 867 C MET A 55 5.203 -9.031 -8.098 1.00 0.00 C ATOM 868 O MET A 55 4.293 -8.739 -8.861 1.00 0.00 O ATOM 869 CB MET A 55 6.616 -7.056 -7.492 1.00 0.00 C ATOM 870 CG MET A 55 6.525 -5.758 -6.748 1.00 0.00 C ATOM 871 SD MET A 55 4.900 -5.008 -6.919 1.00 0.00 S ATOM 872 CE MET A 55 4.987 -3.789 -5.635 1.00 0.00 C ATOM 0 H MET A 55 7.172 -8.618 -5.651 1.00 0.00 H new ATOM 0 HA MET A 55 4.738 -7.582 -6.607 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.629 -7.449 -7.408 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.429 -6.878 -8.551 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.739 -5.927 -5.693 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.284 -5.071 -7.121 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.035 -3.749 -5.106 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.780 -4.053 -4.936 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.200 -2.814 -6.073 1.00 0.00 H new ATOM 882 N ARG A 56 5.879 -10.160 -8.193 1.00 0.00 N ATOM 883 CA ARG A 56 5.557 -11.179 -9.186 1.00 0.00 C ATOM 884 C ARG A 56 4.438 -12.089 -8.687 1.00 0.00 C ATOM 885 O ARG A 56 3.794 -12.793 -9.458 1.00 0.00 O ATOM 886 CB ARG A 56 6.794 -12.021 -9.505 1.00 0.00 C ATOM 887 CG ARG A 56 7.524 -12.526 -8.279 1.00 0.00 C ATOM 888 CD ARG A 56 8.847 -11.810 -8.091 1.00 0.00 C ATOM 889 NE ARG A 56 9.801 -12.172 -9.136 1.00 0.00 N ATOM 890 CZ ARG A 56 11.110 -11.931 -9.084 1.00 0.00 C ATOM 891 NH1 ARG A 56 11.628 -11.270 -8.053 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.898 -12.348 -10.068 1.00 0.00 N ATOM 0 H ARG A 56 6.665 -10.401 -7.589 1.00 0.00 H new ATOM 0 HA ARG A 56 5.222 -10.672 -10.091 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.494 -12.874 -10.114 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.482 -11.426 -10.106 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.901 -12.381 -7.397 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.698 -13.598 -8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.684 -10.732 -8.102 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.262 -12.060 -7.115 1.00 0.00 H new ATOM 0 HE ARG A 56 9.439 -12.643 -9.965 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.023 -10.946 -7.299 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.631 -11.087 -8.016 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.501 -12.851 -10.861 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.901 -12.165 -10.031 1.00 0.00 H new ATOM 906 N GLN A 57 4.215 -12.067 -7.386 1.00 0.00 N ATOM 907 CA GLN A 57 3.218 -12.917 -6.748 1.00 0.00 C ATOM 908 C GLN A 57 1.864 -12.263 -6.716 1.00 0.00 C ATOM 909 O GLN A 57 0.842 -12.933 -6.654 1.00 0.00 O ATOM 910 CB GLN A 57 3.657 -13.259 -5.329 1.00 0.00 C ATOM 911 CG GLN A 57 4.275 -14.632 -5.189 1.00 0.00 C ATOM 912 CD GLN A 57 5.231 -14.953 -6.314 1.00 0.00 C ATOM 913 OE1 GLN A 57 4.850 -15.529 -7.319 1.00 0.00 O ATOM 914 NE2 GLN A 57 6.448 -14.534 -6.176 1.00 0.00 N ATOM 0 H GLN A 57 4.718 -11.460 -6.739 1.00 0.00 H new ATOM 0 HA GLN A 57 3.135 -13.829 -7.339 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.376 -12.512 -4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.794 -13.191 -4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.804 -14.694 -4.238 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.484 -15.382 -5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.729 -14.056 -5.320 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.126 -14.682 -6.923 1.00 0.00 H new ATOM 923 N ILE A 58 1.843 -10.954 -6.740 1.00 0.00 N ATOM 924 CA ILE A 58 0.573 -10.232 -6.674 1.00 0.00 C ATOM 925 C ILE A 58 0.476 -9.125 -7.716 1.00 0.00 C ATOM 926 O ILE A 58 1.403 -8.888 -8.491 1.00 0.00 O ATOM 927 CB ILE A 58 0.330 -9.615 -5.275 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.270 -8.432 -5.036 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.505 -10.665 -4.190 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.162 -7.841 -3.651 1.00 0.00 C ATOM 0 H ILE A 58 2.672 -10.363 -6.804 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.193 -10.979 -6.880 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.696 -9.249 -5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.297 -8.756 -5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.056 -7.655 -5.770 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.330 -10.212 -3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.208 -11.474 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.519 -11.063 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.858 -7.007 -3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.145 -7.485 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.405 -8.603 -2.910 1.00 0.00 H new ATOM 942 N ARG A 59 -0.662 -8.455 -7.723 1.00 0.00 N ATOM 943 CA ARG A 59 -0.916 -7.335 -8.609 1.00 0.00 C ATOM 944 C ARG A 59 -1.844 -6.337 -7.943 1.00 0.00 C ATOM 945 O ARG A 59 -2.798 -6.720 -7.260 1.00 0.00 O ATOM 946 CB ARG A 59 -1.520 -7.797 -9.941 1.00 0.00 C ATOM 947 CG ARG A 59 -0.510 -7.968 -11.064 1.00 0.00 C ATOM 948 CD ARG A 59 0.196 -6.658 -11.373 1.00 0.00 C ATOM 949 NE ARG A 59 1.046 -6.749 -12.562 1.00 0.00 N ATOM 950 CZ ARG A 59 2.208 -6.101 -12.709 1.00 0.00 C ATOM 951 NH1 ARG A 59 2.714 -5.393 -11.704 1.00 0.00 N ATOM 952 NH2 ARG A 59 2.877 -6.186 -13.854 1.00 0.00 N ATOM 0 H ARG A 59 -1.444 -8.676 -7.107 1.00 0.00 H new ATOM 0 HA ARG A 59 0.041 -6.856 -8.818 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.033 -8.745 -9.783 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.274 -7.075 -10.254 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.225 -8.723 -10.784 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.015 -8.332 -11.959 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.547 -5.874 -11.520 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.804 -6.365 -10.517 1.00 0.00 H new ATOM 0 HE ARG A 59 0.732 -7.345 -13.328 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.216 -5.342 -10.815 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.600 -4.901 -11.822 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.505 -6.745 -14.622 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.762 -5.692 -13.965 1.00 0.00 H new ATOM 966 N PHE A 60 -1.552 -5.059 -8.128 1.00 0.00 N ATOM 967 CA PHE A 60 -2.356 -3.982 -7.568 1.00 0.00 C ATOM 968 C PHE A 60 -3.287 -3.425 -8.632 1.00 0.00 C ATOM 969 O PHE A 60 -2.913 -3.300 -9.803 1.00 0.00 O ATOM 970 CB PHE A 60 -1.455 -2.867 -7.025 1.00 0.00 C ATOM 971 CG PHE A 60 -0.569 -3.301 -5.890 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.559 -4.068 -6.127 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.864 -2.939 -4.587 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.370 -4.469 -5.090 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.054 -3.337 -3.545 1.00 0.00 C ATOM 976 CZ PHE A 60 1.062 -4.103 -3.797 1.00 0.00 C ATOM 0 H PHE A 60 -0.750 -4.738 -8.671 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.950 -4.381 -6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.832 -2.489 -7.836 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.079 -2.039 -6.690 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.806 -4.355 -7.138 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.738 -2.338 -4.384 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.246 -5.069 -5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.294 -3.048 -2.532 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.696 -4.417 -2.981 1.00 0.00 H new ATOM 986 N ARG A 61 -4.490 -3.091 -8.236 1.00 0.00 N ATOM 987 CA ARG A 61 -5.492 -2.613 -9.159 1.00 0.00 C ATOM 988 C ARG A 61 -6.334 -1.508 -8.526 1.00 0.00 C ATOM 989 O ARG A 61 -6.624 -1.538 -7.330 1.00 0.00 O ATOM 990 CB ARG A 61 -6.368 -3.789 -9.552 1.00 0.00 C ATOM 991 CG ARG A 61 -7.527 -3.468 -10.467 1.00 0.00 C ATOM 992 CD ARG A 61 -8.782 -4.108 -9.941 1.00 0.00 C ATOM 993 NE ARG A 61 -9.716 -4.477 -10.999 1.00 0.00 N ATOM 994 CZ ARG A 61 -10.655 -5.419 -10.865 1.00 0.00 C ATOM 995 NH1 ARG A 61 -10.745 -6.121 -9.730 1.00 0.00 N ATOM 996 NH2 ARG A 61 -11.490 -5.678 -11.870 1.00 0.00 N ATOM 0 H ARG A 61 -4.803 -3.142 -7.267 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.010 -2.190 -10.040 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.742 -4.538 -10.038 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.762 -4.244 -8.643 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.660 -2.388 -10.536 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.318 -3.829 -11.474 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.518 -4.998 -9.369 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.274 -3.421 -9.252 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.649 -3.988 -11.892 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.096 -5.938 -8.964 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.462 -6.839 -9.630 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.414 -5.157 -12.744 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.206 -6.397 -11.766 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.713 -0.534 -9.331 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.540 0.574 -8.891 1.00 0.00 C ATOM 1012 C PHE A 62 -8.390 1.047 -10.052 1.00 0.00 C ATOM 1013 O PHE A 62 -7.956 1.006 -11.192 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.677 1.725 -8.369 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.463 2.886 -7.816 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.898 2.878 -6.506 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.761 3.984 -8.610 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.613 3.946 -5.993 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.476 5.050 -8.104 1.00 0.00 C ATOM 1020 CZ PHE A 62 -8.902 5.033 -6.794 1.00 0.00 C ATOM 0 H PHE A 62 -6.454 -0.489 -10.316 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.181 0.238 -8.076 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.016 1.344 -7.590 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.042 2.084 -9.179 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.678 2.030 -5.875 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.429 4.005 -9.637 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.945 3.929 -4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.702 5.897 -8.735 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.460 5.867 -6.395 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.599 1.498 -9.756 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.561 1.960 -10.782 1.00 0.00 C ATOM 1032 C ASP A 63 -10.822 0.860 -11.801 1.00 0.00 C ATOM 1033 O ASP A 63 -11.248 1.108 -12.925 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.990 3.175 -11.504 1.00 0.00 C ATOM 1035 CG ASP A 63 -11.038 3.989 -12.240 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.951 4.527 -11.583 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.938 4.118 -13.476 1.00 0.00 O ATOM 0 H ASP A 63 -9.955 1.560 -8.802 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.497 2.221 -10.288 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.487 3.815 -10.779 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.234 2.843 -12.215 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.584 -0.361 -11.400 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.774 -1.472 -12.278 1.00 0.00 C ATOM 1044 C GLY A 64 -9.530 -1.783 -13.107 1.00 0.00 C ATOM 1045 O GLY A 64 -9.355 -2.907 -13.594 1.00 0.00 O ATOM 0 H GLY A 64 -10.257 -0.606 -10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.046 -2.351 -11.693 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.609 -1.264 -12.947 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.649 -0.798 -13.246 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.432 -0.950 -14.040 1.00 0.00 C ATOM 1051 C GLN A 65 -6.241 -1.332 -13.157 1.00 0.00 C ATOM 1052 O GLN A 65 -6.238 -1.069 -11.958 1.00 0.00 O ATOM 1053 CB GLN A 65 -7.118 0.351 -14.797 1.00 0.00 C ATOM 1054 CG GLN A 65 -6.873 1.536 -13.897 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.215 2.690 -14.607 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -5.450 2.507 -15.556 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.505 3.875 -14.148 1.00 0.00 N ATOM 0 H GLN A 65 -8.755 0.121 -12.816 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.603 -1.752 -14.758 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.239 0.193 -15.422 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.948 0.580 -15.466 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.822 1.869 -13.478 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.246 1.226 -13.061 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.144 3.974 -13.360 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.092 4.703 -14.577 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.217 -1.960 -13.739 1.00 0.00 N ATOM 1067 CA PRO A 66 -4.017 -2.342 -13.009 1.00 0.00 C ATOM 1068 C PRO A 66 -3.097 -1.141 -12.769 1.00 0.00 C ATOM 1069 O PRO A 66 -2.953 -0.262 -13.628 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.347 -3.359 -13.931 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.798 -2.989 -15.305 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.152 -2.339 -15.159 1.00 0.00 C ATOM 0 HA PRO A 66 -4.241 -2.739 -12.019 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.261 -3.314 -13.846 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.644 -4.377 -13.679 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.090 -2.306 -15.774 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.859 -3.871 -15.942 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.249 -1.469 -15.809 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.955 -3.026 -15.425 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.480 -1.099 -11.604 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.605 0.004 -11.237 1.00 0.00 C ATOM 1082 C ILE A 67 -0.163 -0.286 -11.667 1.00 0.00 C ATOM 1083 O ILE A 67 0.243 -1.449 -11.790 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.650 0.251 -9.703 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.097 0.377 -9.221 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.865 1.499 -9.333 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.220 0.594 -7.728 1.00 0.00 C ATOM 0 H ILE A 67 -2.568 -1.821 -10.889 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.957 0.898 -11.752 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.190 -0.605 -9.210 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.574 1.208 -9.741 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.643 -0.526 -9.495 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.911 1.651 -8.255 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.174 1.379 -9.639 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.295 2.363 -9.840 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.273 0.674 -7.458 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.773 -0.248 -7.200 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.703 1.512 -7.450 1.00 0.00 H new ATOM 1099 N ASN A 68 0.615 0.765 -11.907 1.00 0.00 N ATOM 1100 CA ASN A 68 2.004 0.610 -12.297 1.00 0.00 C ATOM 1101 C ASN A 68 2.880 1.206 -11.238 1.00 0.00 C ATOM 1102 O ASN A 68 2.430 2.002 -10.422 1.00 0.00 O ATOM 1103 CB ASN A 68 2.312 1.310 -13.631 1.00 0.00 C ATOM 1104 CG ASN A 68 1.097 1.533 -14.495 1.00 0.00 C ATOM 1105 OD1 ASN A 68 0.694 0.663 -15.263 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.526 2.715 -14.396 1.00 0.00 N ATOM 0 H ASN A 68 0.302 1.733 -11.837 1.00 0.00 H new ATOM 0 HA ASN A 68 2.195 -0.456 -12.417 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.782 2.272 -13.426 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.036 0.713 -14.185 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.286 2.939 -14.971 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.895 3.407 -13.744 1.00 0.00 H new ATOM 1113 N GLU A 69 4.138 0.853 -11.255 1.00 0.00 N ATOM 1114 CA GLU A 69 5.077 1.381 -10.297 1.00 0.00 C ATOM 1115 C GLU A 69 5.440 2.822 -10.648 1.00 0.00 C ATOM 1116 O GLU A 69 5.930 3.579 -9.815 1.00 0.00 O ATOM 1117 CB GLU A 69 6.343 0.508 -10.219 1.00 0.00 C ATOM 1118 CG GLU A 69 7.054 0.291 -11.554 1.00 0.00 C ATOM 1119 CD GLU A 69 6.360 -0.720 -12.445 1.00 0.00 C ATOM 1120 OE1 GLU A 69 6.631 -1.928 -12.306 1.00 0.00 O ATOM 1121 OE2 GLU A 69 5.539 -0.306 -13.288 1.00 0.00 O ATOM 0 H GLU A 69 4.539 0.198 -11.926 1.00 0.00 H new ATOM 0 HA GLU A 69 4.602 1.369 -9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.043 0.968 -9.521 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.073 -0.463 -9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.122 1.243 -12.081 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.074 -0.042 -11.364 1.00 0.00 H new ATOM 1128 N THR A 70 5.187 3.194 -11.884 1.00 0.00 N ATOM 1129 CA THR A 70 5.491 4.524 -12.358 1.00 0.00 C ATOM 1130 C THR A 70 4.244 5.420 -12.349 1.00 0.00 C ATOM 1131 O THR A 70 4.252 6.528 -12.898 1.00 0.00 O ATOM 1132 CB THR A 70 6.101 4.463 -13.776 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.399 5.781 -14.264 1.00 0.00 O ATOM 1134 CG2 THR A 70 5.152 3.768 -14.717 1.00 0.00 C ATOM 0 H THR A 70 4.766 2.585 -12.585 1.00 0.00 H new ATOM 0 HA THR A 70 6.222 4.963 -11.678 1.00 0.00 H new ATOM 0 HB THR A 70 7.032 3.899 -13.723 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.751 6.419 -13.900 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.591 3.730 -15.714 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.966 2.754 -14.363 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.211 4.317 -14.756 1.00 0.00 H new ATOM 1142 N ASP A 71 3.179 4.961 -11.706 1.00 0.00 N ATOM 1143 CA ASP A 71 1.946 5.734 -11.649 1.00 0.00 C ATOM 1144 C ASP A 71 1.882 6.549 -10.359 1.00 0.00 C ATOM 1145 O ASP A 71 2.511 6.198 -9.352 1.00 0.00 O ATOM 1146 CB ASP A 71 0.737 4.810 -11.730 1.00 0.00 C ATOM 1147 CG ASP A 71 -0.432 5.455 -12.439 1.00 0.00 C ATOM 1148 OD1 ASP A 71 -0.492 5.365 -13.683 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -1.290 6.044 -11.771 1.00 0.00 O ATOM 0 H ASP A 71 3.143 4.065 -11.220 1.00 0.00 H new ATOM 0 HA ASP A 71 1.933 6.416 -12.499 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.016 3.895 -12.253 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.434 4.522 -10.723 1.00 0.00 H new ATOM 1154 N THR A 72 1.152 7.643 -10.388 1.00 0.00 N ATOM 1155 CA THR A 72 0.987 8.485 -9.221 1.00 0.00 C ATOM 1156 C THR A 72 -0.457 8.476 -8.733 1.00 0.00 C ATOM 1157 O THR A 72 -1.381 8.370 -9.526 1.00 0.00 O ATOM 1158 CB THR A 72 1.415 9.933 -9.514 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.209 10.231 -10.903 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.868 10.156 -9.136 1.00 0.00 C ATOM 0 H THR A 72 0.658 7.974 -11.217 1.00 0.00 H new ATOM 0 HA THR A 72 1.628 8.076 -8.440 1.00 0.00 H new ATOM 0 HB THR A 72 0.803 10.604 -8.911 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.482 11.155 -11.083 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.146 11.187 -9.353 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.001 9.960 -8.072 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.501 9.481 -9.711 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.664 8.609 -7.414 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.008 8.616 -6.815 1.00 0.00 C ATOM 1170 C PRO A 73 -2.879 9.740 -7.375 1.00 0.00 C ATOM 1171 O PRO A 73 -4.110 9.631 -7.453 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.735 8.848 -5.319 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.340 9.372 -5.254 1.00 0.00 C ATOM 1174 CD PRO A 73 0.385 8.764 -6.403 1.00 0.00 C ATOM 0 HA PRO A 73 -2.552 7.695 -7.023 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.443 9.560 -4.895 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.835 7.922 -4.752 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.329 10.460 -5.319 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.133 9.104 -4.309 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.192 9.406 -6.755 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.832 7.806 -6.136 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.240 10.815 -7.787 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.937 11.958 -8.331 1.00 0.00 C ATOM 1184 C ALA A 74 -3.367 11.716 -9.769 1.00 0.00 C ATOM 1185 O ALA A 74 -4.200 12.441 -10.305 1.00 0.00 O ATOM 1186 CB ALA A 74 -2.066 13.190 -8.239 1.00 0.00 C ATOM 0 H ALA A 74 -1.226 10.920 -7.754 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.839 12.115 -7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.601 14.045 -8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.820 13.385 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.148 13.029 -8.804 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.809 10.689 -10.398 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.147 10.369 -11.774 1.00 0.00 C ATOM 1194 C GLN A 75 -4.577 9.874 -11.843 1.00 0.00 C ATOM 1195 O GLN A 75 -5.343 10.235 -12.736 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.218 9.284 -12.310 1.00 0.00 C ATOM 1197 CG GLN A 75 -1.904 9.414 -13.787 1.00 0.00 C ATOM 1198 CD GLN A 75 -1.071 10.643 -14.098 1.00 0.00 C ATOM 1199 OE1 GLN A 75 0.154 10.587 -14.110 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -1.730 11.757 -14.349 1.00 0.00 N ATOM 0 H GLN A 75 -2.121 10.066 -9.975 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.034 11.268 -12.379 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.285 9.309 -11.747 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.673 8.310 -12.130 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.371 8.524 -14.122 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.836 9.459 -14.351 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.750 11.762 -14.329 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.220 12.614 -14.563 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.931 9.040 -10.884 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.254 8.467 -10.810 1.00 0.00 C ATOM 1211 C LEU A 76 -7.162 9.350 -9.961 1.00 0.00 C ATOM 1212 O LEU A 76 -8.352 9.072 -9.793 1.00 0.00 O ATOM 1213 CB LEU A 76 -6.172 7.051 -10.228 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.901 6.264 -10.599 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.868 6.363 -9.490 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.225 4.812 -10.903 1.00 0.00 C ATOM 0 H LEU A 76 -4.306 8.743 -10.135 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.678 8.408 -11.812 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.235 7.117 -9.142 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.041 6.486 -10.564 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.481 6.709 -11.501 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.978 5.801 -9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.602 7.408 -9.333 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.282 5.951 -8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.309 4.281 -11.162 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.677 4.349 -10.026 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.922 4.762 -11.740 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.582 10.434 -9.426 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.301 11.407 -8.591 1.00 0.00 C ATOM 1230 C GLU A 77 -7.942 10.735 -7.390 1.00 0.00 C ATOM 1231 O GLU A 77 -9.016 11.141 -6.929 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.367 12.132 -9.403 1.00 0.00 C ATOM 1233 CG GLU A 77 -7.833 12.865 -10.614 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.923 13.590 -11.352 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.638 12.944 -12.145 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.089 14.805 -11.127 1.00 0.00 O ATOM 0 H GLU A 77 -5.597 10.661 -9.561 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.571 12.133 -8.233 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.113 11.408 -9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.877 12.846 -8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.070 13.577 -10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.350 12.155 -11.285 1.00 0.00 H new ATOM 1243 N MET A 78 -7.279 9.727 -6.863 1.00 0.00 N ATOM 1244 CA MET A 78 -7.799 8.979 -5.736 1.00 0.00 C ATOM 1245 C MET A 78 -7.803 9.838 -4.466 1.00 0.00 C ATOM 1246 O MET A 78 -7.093 10.848 -4.377 1.00 0.00 O ATOM 1247 CB MET A 78 -6.995 7.691 -5.546 1.00 0.00 C ATOM 1248 CG MET A 78 -5.564 7.912 -5.110 1.00 0.00 C ATOM 1249 SD MET A 78 -4.421 6.721 -5.844 1.00 0.00 S ATOM 1250 CE MET A 78 -5.172 5.171 -5.375 1.00 0.00 C ATOM 0 H MET A 78 -6.372 9.404 -7.200 1.00 0.00 H new ATOM 0 HA MET A 78 -8.834 8.704 -5.941 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.497 7.069 -4.805 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.996 7.134 -6.483 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.257 8.921 -5.384 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.505 7.845 -4.024 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.614 4.347 -5.820 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.159 5.074 -4.289 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.203 5.144 -5.729 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.604 9.449 -3.496 1.00 0.00 N ATOM 1261 CA GLU A 79 -8.758 10.214 -2.266 1.00 0.00 C ATOM 1262 C GLU A 79 -8.260 9.410 -1.086 1.00 0.00 C ATOM 1263 O GLU A 79 -8.020 8.210 -1.204 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.234 10.555 -2.062 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.107 9.330 -1.835 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.582 9.619 -1.975 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.020 9.959 -3.094 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.313 9.506 -0.976 1.00 0.00 O ATOM 0 H GLU A 79 -9.166 8.599 -3.533 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.174 11.131 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.331 11.225 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.599 11.096 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.826 8.554 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.914 8.933 -0.838 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.079 10.061 0.050 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.666 9.376 1.259 1.00 0.00 C ATOM 1277 C ASP A 80 -8.683 8.325 1.689 1.00 0.00 C ATOM 1278 O ASP A 80 -9.899 8.518 1.569 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.405 10.373 2.396 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.609 11.224 2.730 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -9.000 12.060 1.890 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.166 11.066 3.827 1.00 0.00 O ATOM 0 H ASP A 80 -8.212 11.066 0.159 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.733 8.860 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.097 9.826 3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.575 11.022 2.118 1.00 0.00 H new ATOM 1287 N GLU A 81 -8.145 7.206 2.171 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.893 6.038 2.638 1.00 0.00 C ATOM 1289 C GLU A 81 -9.308 5.157 1.469 1.00 0.00 C ATOM 1290 O GLU A 81 -10.184 4.295 1.598 1.00 0.00 O ATOM 1291 CB GLU A 81 -10.106 6.420 3.502 1.00 0.00 C ATOM 1292 CG GLU A 81 -9.743 7.149 4.783 1.00 0.00 C ATOM 1293 CD GLU A 81 -10.921 7.292 5.716 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -11.158 6.366 6.524 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -11.619 8.326 5.652 1.00 0.00 O ATOM 0 H GLU A 81 -7.136 7.082 2.250 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.221 5.467 3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.775 7.049 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.659 5.515 3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.944 6.609 5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.355 8.138 4.538 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.660 5.363 0.322 1.00 0.00 N ATOM 1303 CA ASP A 82 -8.929 4.569 -0.880 1.00 0.00 C ATOM 1304 C ASP A 82 -8.617 3.095 -0.629 1.00 0.00 C ATOM 1305 O ASP A 82 -7.779 2.765 0.202 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.089 5.079 -2.057 1.00 0.00 C ATOM 1307 CG ASP A 82 -6.974 4.116 -2.444 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -5.944 4.081 -1.744 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -7.141 3.399 -3.439 1.00 0.00 O ATOM 0 H ASP A 82 -7.941 6.076 0.199 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.986 4.671 -1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.738 5.242 -2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.656 6.045 -1.797 1.00 0.00 H new ATOM 1314 N THR A 83 -9.340 2.206 -1.283 1.00 0.00 N ATOM 1315 CA THR A 83 -9.063 0.794 -1.167 1.00 0.00 C ATOM 1316 C THR A 83 -8.501 0.200 -2.474 1.00 0.00 C ATOM 1317 O THR A 83 -9.208 0.072 -3.480 1.00 0.00 O ATOM 1318 CB THR A 83 -10.329 0.033 -0.745 1.00 0.00 C ATOM 1319 OG1 THR A 83 -10.872 0.649 0.436 1.00 0.00 O ATOM 1320 CG2 THR A 83 -10.014 -1.424 -0.454 1.00 0.00 C ATOM 0 H THR A 83 -10.120 2.439 -1.897 1.00 0.00 H new ATOM 0 HA THR A 83 -8.298 0.679 -0.399 1.00 0.00 H new ATOM 0 HB THR A 83 -11.051 0.072 -1.560 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.682 0.171 0.712 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.926 -1.941 -0.157 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.605 -1.894 -1.349 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.284 -1.484 0.353 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.224 -0.166 -2.435 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.548 -0.789 -3.571 1.00 0.00 C ATOM 1330 C ILE A 84 -6.916 -2.273 -3.634 1.00 0.00 C ATOM 1331 O ILE A 84 -6.992 -2.943 -2.603 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.999 -0.668 -3.445 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.566 0.793 -3.273 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.309 -1.287 -4.649 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.792 1.651 -4.496 1.00 0.00 C ATOM 0 H ILE A 84 -6.628 -0.040 -1.617 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.870 -0.273 -4.476 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.697 -1.216 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.110 1.226 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.507 0.819 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.229 -1.191 -4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.574 -2.342 -4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.628 -0.773 -5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.460 2.669 -4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.226 1.245 -5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.853 1.658 -4.744 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.145 -2.785 -4.834 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.514 -4.188 -5.022 1.00 0.00 C ATOM 1349 C ASP A 85 -6.295 -5.014 -5.403 1.00 0.00 C ATOM 1350 O ASP A 85 -5.701 -4.812 -6.458 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.582 -4.308 -6.113 1.00 0.00 C ATOM 1352 CG ASP A 85 -9.117 -5.717 -6.275 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -9.561 -6.312 -5.270 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -9.138 -6.221 -7.421 1.00 0.00 O ATOM 0 H ASP A 85 -7.082 -2.249 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.915 -4.568 -4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.409 -3.638 -5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.161 -3.975 -7.062 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.897 -5.915 -4.533 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.758 -6.776 -4.802 1.00 0.00 C ATOM 1361 C VAL A 86 -5.197 -8.215 -4.993 1.00 0.00 C ATOM 1362 O VAL A 86 -5.974 -8.759 -4.202 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.707 -6.700 -3.672 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.582 -7.700 -3.897 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -3.151 -5.303 -3.581 1.00 0.00 C ATOM 0 H VAL A 86 -6.344 -6.074 -3.630 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.300 -6.418 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.198 -6.954 -2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.858 -7.622 -3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.992 -8.710 -3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.088 -7.485 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.411 -5.257 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.681 -5.036 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.959 -4.603 -3.367 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.663 -8.848 -6.014 1.00 0.00 N ATOM 1376 CA PHE A 87 -4.993 -10.221 -6.325 1.00 0.00 C ATOM 1377 C PHE A 87 -3.717 -11.013 -6.543 1.00 0.00 C ATOM 1378 O PHE A 87 -2.635 -10.426 -6.677 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.946 -10.312 -7.528 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.680 -9.322 -8.628 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -6.220 -8.041 -8.575 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.914 -9.672 -9.723 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.992 -7.142 -9.587 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.689 -8.771 -10.743 1.00 0.00 C ATOM 1385 CZ PHE A 87 -5.227 -7.504 -10.674 1.00 0.00 C ATOM 0 H PHE A 87 -3.988 -8.426 -6.652 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.526 -10.658 -5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.887 -11.318 -7.943 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.967 -10.173 -7.174 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.825 -7.751 -7.729 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.487 -10.662 -9.781 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.413 -6.149 -9.531 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.091 -9.058 -11.595 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.049 -6.796 -11.470 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.808 -12.334 -6.573 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.617 -13.161 -6.656 1.00 0.00 C ATOM 1397 C GLN A 88 -2.292 -13.554 -8.103 1.00 0.00 C ATOM 1398 O GLN A 88 -3.161 -13.962 -8.870 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.786 -14.426 -5.799 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.470 -15.073 -5.386 1.00 0.00 C ATOM 1401 CD GLN A 88 -0.910 -14.515 -4.079 1.00 0.00 C ATOM 1402 OE1 GLN A 88 -0.183 -15.197 -3.362 1.00 0.00 O ATOM 1403 NE2 GLN A 88 -1.264 -13.286 -3.749 1.00 0.00 N ATOM 0 H GLN A 88 -4.686 -12.851 -6.541 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.784 -12.570 -6.275 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.352 -14.173 -4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.378 -15.153 -6.355 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.618 -16.148 -5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.737 -14.928 -6.179 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.869 -12.746 -4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.932 -12.877 -2.876 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.033 -13.399 -8.461 1.00 0.00 N ATOM 1413 CA GLN A 89 -0.529 -13.778 -9.778 1.00 0.00 C ATOM 1414 C GLN A 89 0.386 -14.989 -9.676 1.00 0.00 C ATOM 1415 O GLN A 89 1.100 -15.335 -10.621 1.00 0.00 O ATOM 1416 CB GLN A 89 0.215 -12.612 -10.420 1.00 0.00 C ATOM 1417 CG GLN A 89 -0.692 -11.471 -10.824 1.00 0.00 C ATOM 1418 CD GLN A 89 -1.745 -11.901 -11.823 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -1.525 -12.803 -12.631 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -2.892 -11.272 -11.771 1.00 0.00 N ATOM 0 H GLN A 89 -0.321 -13.004 -7.846 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.381 -14.039 -10.405 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.965 -12.241 -9.722 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.749 -12.971 -11.300 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.179 -11.066 -9.937 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.093 -10.668 -11.254 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.036 -10.529 -11.087 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.642 -11.525 -12.415 1.00 0.00 H new ATOM 1429 N GLN A 90 0.344 -15.647 -8.541 1.00 0.00 N ATOM 1430 CA GLN A 90 1.165 -16.812 -8.297 1.00 0.00 C ATOM 1431 C GLN A 90 0.300 -18.060 -8.249 1.00 0.00 C ATOM 1432 O GLN A 90 -0.561 -18.203 -7.384 1.00 0.00 O ATOM 1433 CB GLN A 90 1.959 -16.639 -6.994 1.00 0.00 C ATOM 1434 CG GLN A 90 2.643 -17.905 -6.470 1.00 0.00 C ATOM 1435 CD GLN A 90 3.479 -18.642 -7.511 1.00 0.00 C ATOM 1436 OE1 GLN A 90 3.573 -19.869 -7.479 1.00 0.00 O ATOM 1437 NE2 GLN A 90 4.119 -17.909 -8.401 1.00 0.00 N ATOM 0 H GLN A 90 -0.260 -15.391 -7.760 1.00 0.00 H new ATOM 0 HA GLN A 90 1.878 -16.923 -9.114 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.719 -15.874 -7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.284 -16.265 -6.224 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.284 -17.637 -5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.881 -18.583 -6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.016 -16.894 -8.395 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.717 -18.357 -9.095 1.00 0.00 H new ATOM 1446 N THR A 91 0.514 -18.947 -9.196 1.00 0.00 N ATOM 1447 CA THR A 91 -0.235 -20.177 -9.276 1.00 0.00 C ATOM 1448 C THR A 91 0.542 -21.200 -10.101 1.00 0.00 C ATOM 1449 O THR A 91 1.258 -20.842 -11.042 1.00 0.00 O ATOM 1450 CB THR A 91 -1.642 -19.939 -9.895 1.00 0.00 C ATOM 1451 OG1 THR A 91 -2.386 -21.161 -9.929 1.00 0.00 O ATOM 1452 CG2 THR A 91 -1.536 -19.367 -11.307 1.00 0.00 C ATOM 0 H THR A 91 1.212 -18.834 -9.931 1.00 0.00 H new ATOM 0 HA THR A 91 -0.377 -20.561 -8.266 1.00 0.00 H new ATOM 0 HB THR A 91 -2.161 -19.216 -9.266 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.270 -20.995 -10.319 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.536 -19.212 -11.713 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.005 -18.415 -11.275 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.991 -20.065 -11.942 1.00 0.00 H new ATOM 1460 N GLY A 92 0.441 -22.458 -9.728 1.00 0.00 N ATOM 1461 CA GLY A 92 1.132 -23.499 -10.449 1.00 0.00 C ATOM 1462 C GLY A 92 1.476 -24.650 -9.547 1.00 0.00 C ATOM 1463 O GLY A 92 2.171 -24.476 -8.540 1.00 0.00 O ATOM 0 H GLY A 92 -0.111 -22.781 -8.933 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.508 -23.851 -11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.043 -23.095 -10.891 1.00 0.00 H new ATOM 1467 N GLY A 93 0.993 -25.825 -9.881 1.00 0.00 N ATOM 1468 CA GLY A 93 1.238 -26.976 -9.058 1.00 0.00 C ATOM 1469 C GLY A 93 -0.053 -27.552 -8.539 1.00 0.00 C ATOM 1470 O GLY A 93 -1.046 -26.801 -8.466 1.00 0.00 O ATOM 1471 OXT GLY A 93 -0.082 -28.748 -8.195 1.00 0.00 O ATOM 0 H GLY A 93 0.431 -26.004 -10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.772 -27.732 -9.633 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.880 -26.700 -8.221 1.00 0.00 H new TER 1475 GLY A 93