USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1046 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 25 CYS SG : rot -99:sc= -2.71! USER MOD Set 1.2: A 131 TYR OH : rot -162:sc= 1.34 USER MOD Set 2.1: A 30 ASN : amide:sc= -3.1! C(o=-3.1!,f=-2!) USER MOD Set 2.2: A 55 MET CE :methyl -115:sc= 0 (180deg=-1.96!) USER MOD Set 3.1: A 41 SER OG : rot 47:sc= 0.562 USER MOD Set 3.2: A 53 HIS : no HD1:sc= -1.01 K(o=-0.45,f=-1.3) USER MOD Set 4.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.414 (180deg=-0.662) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0.318 (180deg=0.299) USER MOD Single : A 2 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0344) USER MOD Single : A 8 HIS : no HD1:sc= 0.00676 X(o=0.0068,f=-0.13) USER MOD Single : A 11 GLN : amide:sc= -0.0432 X(o=-0.043,f=-0.42) USER MOD Single : A 21 ASN : amide:sc= -4.65! C(o=-4.6!,f=-4.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.14) USER MOD Single : A 38 THR OG1 : rot 77:sc= 0.611 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -7:sc= -1.33 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 58 LYS NZ :NH3+ -143:sc= 0.297 (180deg=0.00377) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.649 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0397 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 80 SER OG : rot -88:sc= 0.574 USER MOD Single : A 83 MET CE :methyl -171:sc= 0 (180deg=-0.103) USER MOD Single : A 92 GLN : amide:sc= -0.46 X(o=-0.46,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 87:sc= 0.68 USER MOD Single : A 103 GLN : amide:sc= -0.491 X(o=-0.49,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.178 USER MOD Single : A 112 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.31) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.00247 USER MOD Single : A 116 GLN : amide:sc= -2.57! K(o=-2.6!,f=-0.35) USER MOD Single : A 117 GLN : amide:sc= -1.82 X(o=-1.8,f=-1.5!) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 122 GLN : amide:sc= -4.33! K(o=-4.3!,f=-1.3) USER MOD Single : A 127 ASN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 175:sc= 1.07 (180deg=0.955) USER MOD Single : A 139 HIS : no HD1:sc= -0.0048 K(o=-0.0048,f=-2.9!) USER MOD Single : A 140 HIS : no HD1:sc= -0.0185 X(o=-0.018,f=-0.41) USER MOD Single : A 141 HIS : no HD1:sc=-0.00367 X(o=-0.0037,f=-0.0037) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 HIS : no HD1:sc= -0.0422 X(o=-0.042,f=-0.05) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=-0.00084) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.643 17.681 2.762 1.00 0.00 N ATOM 2 CA MET A 1 5.994 17.089 3.962 1.00 0.00 C ATOM 3 C MET A 1 5.763 15.586 3.770 1.00 0.00 C ATOM 4 O MET A 1 5.627 15.117 2.641 1.00 0.00 O ATOM 5 CB MET A 1 4.654 17.812 4.256 1.00 0.00 C ATOM 6 CG MET A 1 3.626 17.744 3.119 1.00 0.00 C ATOM 7 SD MET A 1 2.146 18.714 3.454 1.00 0.00 S ATOM 8 CE MET A 1 1.554 17.939 4.957 1.00 0.00 C ATOM 0 H1 MET A 1 6.729 18.710 2.886 1.00 0.00 H new ATOM 0 H2 MET A 1 7.589 17.267 2.639 1.00 0.00 H new ATOM 0 H3 MET A 1 6.066 17.480 1.921 1.00 0.00 H new ATOM 0 HA MET A 1 6.659 17.223 4.815 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.212 17.379 5.153 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.862 18.859 4.477 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.087 18.100 2.198 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.343 16.704 2.953 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.563 18.323 5.198 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.500 16.860 4.813 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.239 18.162 5.775 1.00 0.00 H new ATOM 20 N LYS A 2 5.703 14.848 4.890 1.00 0.00 N ATOM 21 CA LYS A 2 5.450 13.397 4.906 1.00 0.00 C ATOM 22 C LYS A 2 4.770 13.001 6.233 1.00 0.00 C ATOM 23 O LYS A 2 4.998 13.639 7.269 1.00 0.00 O ATOM 24 CB LYS A 2 6.772 12.596 4.695 1.00 0.00 C ATOM 25 CG LYS A 2 7.892 12.901 5.719 1.00 0.00 C ATOM 26 CD LYS A 2 9.156 12.036 5.504 1.00 0.00 C ATOM 27 CE LYS A 2 10.246 12.310 6.556 1.00 0.00 C ATOM 28 NZ LYS A 2 9.823 11.908 7.928 1.00 0.00 N ATOM 0 H LYS A 2 5.830 15.246 5.821 1.00 0.00 H new ATOM 0 HA LYS A 2 4.782 13.149 4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.544 11.531 4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.149 12.804 3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.163 13.955 5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.511 12.735 6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.881 10.982 5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.559 12.229 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.153 11.770 6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.494 13.371 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.628 12.000 8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.047 12.523 8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.499 10.920 7.916 1.00 0.00 H new ATOM 42 N ILE A 3 3.909 11.962 6.184 1.00 0.00 N ATOM 43 CA ILE A 3 3.208 11.424 7.370 1.00 0.00 C ATOM 44 C ILE A 3 3.613 9.958 7.591 1.00 0.00 C ATOM 45 O ILE A 3 3.669 9.174 6.640 1.00 0.00 O ATOM 46 CB ILE A 3 1.639 11.514 7.212 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.181 12.988 6.990 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.906 10.888 8.431 1.00 0.00 C ATOM 49 CD1 ILE A 3 -0.304 13.150 6.705 1.00 0.00 C ATOM 0 H ILE A 3 3.680 11.472 5.319 1.00 0.00 H new ATOM 0 HA ILE A 3 3.498 12.028 8.229 1.00 0.00 H new ATOM 0 HB ILE A 3 1.368 10.936 6.329 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.434 13.571 7.875 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.746 13.410 6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.172 10.968 8.288 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.183 9.838 8.522 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.192 11.419 9.339 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.534 14.206 6.564 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.563 12.598 5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.880 12.762 7.545 1.00 0.00 H new ATOM 61 N SER A 4 3.891 9.615 8.854 1.00 0.00 N ATOM 62 CA SER A 4 4.174 8.248 9.294 1.00 0.00 C ATOM 63 C SER A 4 2.899 7.643 9.902 1.00 0.00 C ATOM 64 O SER A 4 2.398 8.131 10.923 1.00 0.00 O ATOM 65 CB SER A 4 5.316 8.261 10.335 1.00 0.00 C ATOM 66 OG SER A 4 6.499 8.793 9.774 1.00 0.00 O ATOM 0 H SER A 4 3.926 10.296 9.613 1.00 0.00 H new ATOM 0 HA SER A 4 4.488 7.642 8.444 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.019 8.854 11.200 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.501 7.248 10.692 1.00 0.00 H new ATOM 0 HG SER A 4 7.209 8.794 10.449 1.00 0.00 H new ATOM 72 N ILE A 5 2.351 6.621 9.238 1.00 0.00 N ATOM 73 CA ILE A 5 1.215 5.834 9.746 1.00 0.00 C ATOM 74 C ILE A 5 1.657 4.387 9.986 1.00 0.00 C ATOM 75 O ILE A 5 2.703 3.954 9.488 1.00 0.00 O ATOM 76 CB ILE A 5 -0.002 5.847 8.754 1.00 0.00 C ATOM 77 CG1 ILE A 5 0.368 5.180 7.390 1.00 0.00 C ATOM 78 CG2 ILE A 5 -0.532 7.282 8.545 1.00 0.00 C ATOM 79 CD1 ILE A 5 -0.800 4.963 6.443 1.00 0.00 C ATOM 0 H ILE A 5 2.684 6.311 8.325 1.00 0.00 H new ATOM 0 HA ILE A 5 0.890 6.292 10.680 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.800 5.257 9.203 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.112 5.800 6.889 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.838 4.217 7.589 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.374 7.262 7.854 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.857 7.693 9.501 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.261 7.906 8.133 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.443 4.496 5.525 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.537 4.315 6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.259 5.923 6.206 1.00 0.00 H new ATOM 91 N GLU A 6 0.848 3.637 10.736 1.00 0.00 N ATOM 92 CA GLU A 6 1.129 2.228 11.035 1.00 0.00 C ATOM 93 C GLU A 6 -0.160 1.431 11.243 1.00 0.00 C ATOM 94 O GLU A 6 -1.262 1.987 11.212 1.00 0.00 O ATOM 95 CB GLU A 6 2.037 2.110 12.285 1.00 0.00 C ATOM 96 CG GLU A 6 1.426 2.623 13.608 1.00 0.00 C ATOM 97 CD GLU A 6 2.263 2.218 14.829 1.00 0.00 C ATOM 98 OE1 GLU A 6 3.216 2.946 15.180 1.00 0.00 O ATOM 99 OE2 GLU A 6 1.994 1.149 15.421 1.00 0.00 O ATOM 0 H GLU A 6 -0.016 3.985 11.152 1.00 0.00 H new ATOM 0 HA GLU A 6 1.650 1.806 10.176 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.311 1.063 12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.959 2.660 12.095 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.343 3.709 13.571 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.415 2.230 13.716 1.00 0.00 H new ATOM 106 N ALA A 7 0.023 0.114 11.443 1.00 0.00 N ATOM 107 CA ALA A 7 -1.035 -0.844 11.760 1.00 0.00 C ATOM 108 C ALA A 7 -0.383 -2.165 12.193 1.00 0.00 C ATOM 109 O ALA A 7 0.537 -2.657 11.530 1.00 0.00 O ATOM 110 CB ALA A 7 -1.982 -1.086 10.564 1.00 0.00 C ATOM 0 H ALA A 7 0.944 -0.321 11.385 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.643 -0.433 12.566 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.751 -1.805 10.848 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.453 -0.146 10.276 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.412 -1.479 9.722 1.00 0.00 H new ATOM 116 N HIS A 8 -0.850 -2.727 13.315 1.00 0.00 N ATOM 117 CA HIS A 8 -0.398 -4.032 13.816 1.00 0.00 C ATOM 118 C HIS A 8 -1.372 -5.108 13.351 1.00 0.00 C ATOM 119 O HIS A 8 -2.537 -5.093 13.739 1.00 0.00 O ATOM 120 CB HIS A 8 -0.288 -4.010 15.364 1.00 0.00 C ATOM 121 CG HIS A 8 0.977 -3.372 15.864 1.00 0.00 C ATOM 122 ND1 HIS A 8 1.027 -2.197 16.579 1.00 0.00 N ATOM 123 CD2 HIS A 8 2.250 -3.787 15.753 1.00 0.00 C ATOM 124 CE1 HIS A 8 2.277 -1.925 16.884 1.00 0.00 C ATOM 125 NE2 HIS A 8 3.042 -2.877 16.394 1.00 0.00 N ATOM 0 H HIS A 8 -1.556 -2.287 13.905 1.00 0.00 H new ATOM 0 HA HIS A 8 0.592 -4.254 13.419 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.143 -3.473 15.774 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.344 -5.032 15.739 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.587 -4.680 15.248 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.618 -1.066 17.442 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.057 -2.927 16.479 1.00 0.00 H new ATOM 134 N ILE A 9 -0.892 -6.015 12.491 1.00 0.00 N ATOM 135 CA ILE A 9 -1.683 -7.137 11.967 1.00 0.00 C ATOM 136 C ILE A 9 -1.170 -8.435 12.603 1.00 0.00 C ATOM 137 O ILE A 9 0.016 -8.748 12.478 1.00 0.00 O ATOM 138 CB ILE A 9 -1.553 -7.228 10.399 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.815 -5.836 9.743 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.511 -8.302 9.826 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.686 -5.817 8.234 1.00 0.00 C ATOM 0 H ILE A 9 0.064 -5.991 12.136 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.734 -6.983 12.213 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.533 -7.529 10.159 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.818 -5.504 10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.116 -5.113 10.164 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.402 -8.345 8.742 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.266 -9.274 10.255 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.540 -8.043 10.077 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.885 -4.811 7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.676 -6.115 7.951 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.404 -6.512 7.799 1.00 0.00 H new ATOM 153 N GLU A 10 -2.056 -9.177 13.290 1.00 0.00 N ATOM 154 CA GLU A 10 -1.723 -10.467 13.927 1.00 0.00 C ATOM 155 C GLU A 10 -1.748 -11.579 12.858 1.00 0.00 C ATOM 156 O GLU A 10 -2.655 -12.417 12.802 1.00 0.00 O ATOM 157 CB GLU A 10 -2.699 -10.784 15.108 1.00 0.00 C ATOM 158 CG GLU A 10 -2.701 -9.754 16.269 1.00 0.00 C ATOM 159 CD GLU A 10 -3.433 -8.432 15.944 1.00 0.00 C ATOM 160 OE1 GLU A 10 -4.662 -8.345 16.158 1.00 0.00 O ATOM 161 OE2 GLU A 10 -2.789 -7.467 15.485 1.00 0.00 O ATOM 0 H GLU A 10 -3.029 -8.899 13.421 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.722 -10.409 14.354 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.711 -10.858 14.710 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.444 -11.763 15.514 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.168 -10.209 17.142 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.670 -9.528 16.540 1.00 0.00 H new ATOM 168 N GLN A 11 -0.741 -11.513 11.992 1.00 0.00 N ATOM 169 CA GLN A 11 -0.571 -12.410 10.851 1.00 0.00 C ATOM 170 C GLN A 11 0.919 -12.517 10.516 1.00 0.00 C ATOM 171 O GLN A 11 1.717 -11.657 10.915 1.00 0.00 O ATOM 172 CB GLN A 11 -1.368 -11.868 9.625 1.00 0.00 C ATOM 173 CG GLN A 11 -1.356 -12.785 8.376 1.00 0.00 C ATOM 174 CD GLN A 11 -2.078 -14.114 8.581 1.00 0.00 C ATOM 175 OE1 GLN A 11 -3.053 -14.200 9.326 1.00 0.00 O ATOM 176 NE2 GLN A 11 -1.608 -15.166 7.927 1.00 0.00 N ATOM 0 H GLN A 11 -0.000 -10.816 12.066 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.955 -13.399 11.100 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.403 -11.705 9.927 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.960 -10.896 9.347 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.819 -12.255 7.543 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.322 -12.984 8.092 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.798 -15.066 7.316 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.056 -16.076 8.035 1.00 0.00 H new ATOM 185 N GLU A 12 1.274 -13.589 9.805 1.00 0.00 N ATOM 186 CA GLU A 12 2.604 -13.796 9.241 1.00 0.00 C ATOM 187 C GLU A 12 3.008 -12.655 8.287 1.00 0.00 C ATOM 188 O GLU A 12 2.220 -12.253 7.435 1.00 0.00 O ATOM 189 CB GLU A 12 2.595 -15.139 8.483 1.00 0.00 C ATOM 190 CG GLU A 12 3.875 -15.423 7.696 1.00 0.00 C ATOM 191 CD GLU A 12 3.863 -16.774 6.997 1.00 0.00 C ATOM 192 OE1 GLU A 12 3.367 -16.863 5.850 1.00 0.00 O ATOM 193 OE2 GLU A 12 4.343 -17.755 7.590 1.00 0.00 O ATOM 0 H GLU A 12 0.629 -14.353 9.602 1.00 0.00 H new ATOM 0 HA GLU A 12 3.335 -13.809 10.049 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.435 -15.946 9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.749 -15.150 7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.018 -14.638 6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.727 -15.380 8.374 1.00 0.00 H new ATOM 200 N ILE A 13 4.257 -12.186 8.433 1.00 0.00 N ATOM 201 CA ILE A 13 4.836 -11.090 7.629 1.00 0.00 C ATOM 202 C ILE A 13 4.905 -11.436 6.119 1.00 0.00 C ATOM 203 O ILE A 13 4.663 -10.564 5.278 1.00 0.00 O ATOM 204 CB ILE A 13 6.246 -10.680 8.191 1.00 0.00 C ATOM 205 CG1 ILE A 13 6.902 -9.540 7.346 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.183 -11.901 8.317 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.234 -9.038 7.881 1.00 0.00 C ATOM 0 H ILE A 13 4.907 -12.562 9.124 1.00 0.00 H new ATOM 0 HA ILE A 13 4.168 -10.233 7.717 1.00 0.00 H new ATOM 0 HB ILE A 13 6.087 -10.284 9.194 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.047 -9.899 6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.208 -8.701 7.292 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.148 -11.580 8.708 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.741 -12.631 8.995 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.322 -12.356 7.336 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.613 -8.249 7.231 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.096 -8.644 8.888 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.949 -9.861 7.908 1.00 0.00 H new ATOM 219 N GLU A 14 5.217 -12.714 5.784 1.00 0.00 N ATOM 220 CA GLU A 14 5.194 -13.204 4.382 1.00 0.00 C ATOM 221 C GLU A 14 3.782 -13.047 3.779 1.00 0.00 C ATOM 222 O GLU A 14 3.615 -12.556 2.654 1.00 0.00 O ATOM 223 CB GLU A 14 5.631 -14.692 4.280 1.00 0.00 C ATOM 224 CG GLU A 14 7.136 -14.978 4.498 1.00 0.00 C ATOM 225 CD GLU A 14 7.639 -14.787 5.941 1.00 0.00 C ATOM 226 OE1 GLU A 14 6.971 -15.252 6.878 1.00 0.00 O ATOM 227 OE2 GLU A 14 8.714 -14.203 6.142 1.00 0.00 O ATOM 0 H GLU A 14 5.487 -13.423 6.465 1.00 0.00 H new ATOM 0 HA GLU A 14 5.906 -12.599 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.063 -15.267 5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.350 -15.065 3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.342 -16.003 4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.712 -14.327 3.841 1.00 0.00 H new ATOM 234 N ALA A 15 2.787 -13.467 4.565 1.00 0.00 N ATOM 235 CA ALA A 15 1.364 -13.409 4.188 1.00 0.00 C ATOM 236 C ALA A 15 0.856 -11.951 4.039 1.00 0.00 C ATOM 237 O ALA A 15 0.071 -11.655 3.132 1.00 0.00 O ATOM 238 CB ALA A 15 0.544 -14.181 5.221 1.00 0.00 C ATOM 0 H ALA A 15 2.944 -13.862 5.492 1.00 0.00 H new ATOM 0 HA ALA A 15 1.245 -13.872 3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.511 -14.143 4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.875 -15.219 5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.682 -13.732 6.205 1.00 0.00 H new ATOM 244 N VAL A 16 1.326 -11.051 4.933 1.00 0.00 N ATOM 245 CA VAL A 16 0.989 -9.608 4.890 1.00 0.00 C ATOM 246 C VAL A 16 1.572 -8.964 3.613 1.00 0.00 C ATOM 247 O VAL A 16 0.906 -8.147 2.959 1.00 0.00 O ATOM 248 CB VAL A 16 1.506 -8.850 6.175 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.305 -7.322 6.062 1.00 0.00 C ATOM 250 CG2 VAL A 16 0.820 -9.389 7.455 1.00 0.00 C ATOM 0 H VAL A 16 1.947 -11.303 5.702 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.097 -9.519 4.871 1.00 0.00 H new ATOM 0 HB VAL A 16 2.577 -9.041 6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.674 -6.839 6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.855 -6.946 5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.244 -7.103 5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.195 -8.849 8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.258 -9.247 7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.039 -10.451 7.566 1.00 0.00 H new ATOM 260 N TRP A 17 2.815 -9.362 3.264 1.00 0.00 N ATOM 261 CA TRP A 17 3.490 -8.923 2.026 1.00 0.00 C ATOM 262 C TRP A 17 2.682 -9.336 0.794 1.00 0.00 C ATOM 263 O TRP A 17 2.506 -8.531 -0.115 1.00 0.00 O ATOM 264 CB TRP A 17 4.919 -9.508 1.935 1.00 0.00 C ATOM 265 CG TRP A 17 5.663 -9.173 0.645 1.00 0.00 C ATOM 266 CD1 TRP A 17 5.651 -9.880 -0.534 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.527 -8.057 0.418 1.00 0.00 C ATOM 268 NE1 TRP A 17 6.429 -9.256 -1.469 1.00 0.00 N ATOM 269 CE2 TRP A 17 6.989 -8.143 -0.905 1.00 0.00 C ATOM 270 CE3 TRP A 17 6.956 -6.992 1.211 1.00 0.00 C ATOM 271 CZ2 TRP A 17 7.854 -7.201 -1.452 1.00 0.00 C ATOM 272 CZ3 TRP A 17 7.817 -6.069 0.672 1.00 0.00 C ATOM 273 CH2 TRP A 17 8.261 -6.178 -0.650 1.00 0.00 C ATOM 0 H TRP A 17 3.377 -9.996 3.833 1.00 0.00 H new ATOM 0 HA TRP A 17 3.560 -7.836 2.056 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.502 -9.142 2.780 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.860 -10.592 2.034 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.105 -10.797 -0.698 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.569 -9.569 -2.430 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.616 -6.896 2.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.191 -7.278 -2.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.158 -5.244 1.280 1.00 0.00 H new ATOM 0 HH2 TRP A 17 8.940 -5.436 -1.043 1.00 0.00 H new ATOM 284 N TRP A 18 2.228 -10.607 0.771 1.00 0.00 N ATOM 285 CA TRP A 18 1.412 -11.144 -0.340 1.00 0.00 C ATOM 286 C TRP A 18 0.159 -10.293 -0.513 1.00 0.00 C ATOM 287 O TRP A 18 -0.186 -9.886 -1.617 1.00 0.00 O ATOM 288 CB TRP A 18 1.007 -12.621 -0.085 1.00 0.00 C ATOM 289 CG TRP A 18 0.219 -13.256 -1.228 1.00 0.00 C ATOM 290 CD1 TRP A 18 0.736 -13.926 -2.301 1.00 0.00 C ATOM 291 CD2 TRP A 18 -1.212 -13.264 -1.424 1.00 0.00 C ATOM 292 NE1 TRP A 18 -0.268 -14.359 -3.123 1.00 0.00 N ATOM 293 CE2 TRP A 18 -1.467 -13.964 -2.610 1.00 0.00 C ATOM 294 CE3 TRP A 18 -2.298 -12.750 -0.707 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -2.753 -14.165 -3.095 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -3.575 -12.948 -1.186 1.00 0.00 C ATOM 297 CH2 TRP A 18 -3.793 -13.651 -2.372 1.00 0.00 C ATOM 0 H TRP A 18 2.413 -11.283 1.512 1.00 0.00 H new ATOM 0 HA TRP A 18 2.014 -11.110 -1.248 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.908 -13.209 0.092 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.410 -12.671 0.826 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.789 -14.090 -2.475 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.140 -14.892 -3.983 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.137 -12.204 0.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.925 -14.709 -4.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.418 -12.554 -0.637 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.804 -13.792 -2.726 1.00 0.00 H new ATOM 308 N ALA A 19 -0.508 -10.029 0.609 1.00 0.00 N ATOM 309 CA ALA A 19 -1.724 -9.226 0.627 1.00 0.00 C ATOM 310 C ALA A 19 -1.467 -7.796 0.088 1.00 0.00 C ATOM 311 O ALA A 19 -2.271 -7.268 -0.677 1.00 0.00 O ATOM 312 CB ALA A 19 -2.310 -9.218 2.036 1.00 0.00 C ATOM 0 H ALA A 19 -0.220 -10.366 1.528 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.457 -9.675 -0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.219 -8.617 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.545 -10.239 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.585 -8.793 2.729 1.00 0.00 H new ATOM 318 N TRP A 20 -0.307 -7.215 0.447 1.00 0.00 N ATOM 319 CA TRP A 20 0.072 -5.836 0.073 1.00 0.00 C ATOM 320 C TRP A 20 0.541 -5.742 -1.403 1.00 0.00 C ATOM 321 O TRP A 20 0.299 -4.731 -2.072 1.00 0.00 O ATOM 322 CB TRP A 20 1.206 -5.330 1.024 1.00 0.00 C ATOM 323 CG TRP A 20 1.553 -3.853 0.868 1.00 0.00 C ATOM 324 CD1 TRP A 20 2.444 -3.287 -0.014 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.008 -2.758 1.623 1.00 0.00 C ATOM 326 NE1 TRP A 20 2.449 -1.922 0.128 1.00 0.00 N ATOM 327 CE2 TRP A 20 1.584 -1.576 1.131 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.081 -2.668 2.662 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.257 -0.323 1.642 1.00 0.00 C ATOM 330 CZ3 TRP A 20 -0.236 -1.427 3.172 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.349 -0.266 2.662 1.00 0.00 C ATOM 0 H TRP A 20 0.399 -7.691 1.008 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.812 -5.207 0.177 1.00 0.00 H new ATOM 0 HB2 TRP A 20 0.905 -5.512 2.056 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.104 -5.922 0.845 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.052 -3.837 -0.717 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.007 -1.271 -0.424 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.382 -3.558 3.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 1.706 0.575 1.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.949 -1.351 3.980 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.080 0.693 3.080 1.00 0.00 H new ATOM 342 N ASN A 21 1.241 -6.787 -1.879 1.00 0.00 N ATOM 343 CA ASN A 21 2.053 -6.721 -3.123 1.00 0.00 C ATOM 344 C ASN A 21 1.475 -7.534 -4.309 1.00 0.00 C ATOM 345 O ASN A 21 1.696 -7.151 -5.473 1.00 0.00 O ATOM 346 CB ASN A 21 3.508 -7.157 -2.793 1.00 0.00 C ATOM 347 CG ASN A 21 4.413 -7.179 -4.017 1.00 0.00 C ATOM 348 OD1 ASN A 21 4.691 -8.237 -4.581 1.00 0.00 O ATOM 349 ND2 ASN A 21 4.816 -6.008 -4.486 1.00 0.00 N ATOM 0 H ASN A 21 1.265 -7.698 -1.421 1.00 0.00 H new ATOM 0 HA ASN A 21 2.032 -5.687 -3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.926 -6.477 -2.051 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.491 -8.149 -2.342 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.374 -5.965 -5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.568 -5.149 -3.994 1.00 0.00 H new ATOM 356 N ASP A 22 0.776 -8.656 -4.034 1.00 0.00 N ATOM 357 CA ASP A 22 0.155 -9.498 -5.092 1.00 0.00 C ATOM 358 C ASP A 22 -0.872 -8.671 -5.889 1.00 0.00 C ATOM 359 O ASP A 22 -1.787 -8.130 -5.283 1.00 0.00 O ATOM 360 CB ASP A 22 -0.526 -10.758 -4.480 1.00 0.00 C ATOM 361 CG ASP A 22 -1.129 -11.710 -5.536 1.00 0.00 C ATOM 362 OD1 ASP A 22 -2.280 -11.485 -5.983 1.00 0.00 O ATOM 363 OD2 ASP A 22 -0.461 -12.695 -5.922 1.00 0.00 O ATOM 0 H ASP A 22 0.625 -9.005 -3.087 1.00 0.00 H new ATOM 0 HA ASP A 22 0.943 -9.835 -5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.207 -11.305 -3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.314 -10.439 -3.798 1.00 0.00 H new ATOM 368 N PRO A 23 -0.745 -8.581 -7.252 1.00 0.00 N ATOM 369 CA PRO A 23 -1.570 -7.662 -8.085 1.00 0.00 C ATOM 370 C PRO A 23 -3.090 -7.889 -7.935 1.00 0.00 C ATOM 371 O PRO A 23 -3.866 -6.936 -7.809 1.00 0.00 O ATOM 372 CB PRO A 23 -1.099 -7.967 -9.538 1.00 0.00 C ATOM 373 CG PRO A 23 0.258 -8.587 -9.382 1.00 0.00 C ATOM 374 CD PRO A 23 0.207 -9.364 -8.091 1.00 0.00 C ATOM 0 HA PRO A 23 -1.431 -6.623 -7.786 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.787 -8.645 -10.042 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.051 -7.058 -10.137 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.489 -9.241 -10.223 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.035 -7.824 -9.349 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.143 -10.384 -8.250 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.190 -9.433 -7.625 1.00 0.00 H new ATOM 382 N ASP A 24 -3.478 -9.169 -7.911 1.00 0.00 N ATOM 383 CA ASP A 24 -4.888 -9.590 -7.818 1.00 0.00 C ATOM 384 C ASP A 24 -5.457 -9.250 -6.433 1.00 0.00 C ATOM 385 O ASP A 24 -6.601 -8.789 -6.319 1.00 0.00 O ATOM 386 CB ASP A 24 -5.019 -11.109 -8.098 1.00 0.00 C ATOM 387 CG ASP A 24 -4.455 -11.514 -9.471 1.00 0.00 C ATOM 388 OD1 ASP A 24 -3.230 -11.756 -9.570 1.00 0.00 O ATOM 389 OD2 ASP A 24 -5.218 -11.569 -10.462 1.00 0.00 O ATOM 0 H ASP A 24 -2.822 -9.949 -7.956 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.461 -9.049 -8.571 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.497 -11.664 -7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.070 -11.394 -8.044 1.00 0.00 H new ATOM 394 N CYS A 25 -4.638 -9.471 -5.392 1.00 0.00 N ATOM 395 CA CYS A 25 -5.004 -9.156 -4.000 1.00 0.00 C ATOM 396 C CYS A 25 -5.160 -7.632 -3.787 1.00 0.00 C ATOM 397 O CYS A 25 -6.084 -7.181 -3.094 1.00 0.00 O ATOM 398 CB CYS A 25 -3.955 -9.720 -3.033 1.00 0.00 C ATOM 399 SG CYS A 25 -4.353 -9.431 -1.306 1.00 0.00 S ATOM 0 H CYS A 25 -3.705 -9.872 -5.490 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.967 -9.624 -3.795 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.855 -10.792 -3.201 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.987 -9.271 -3.256 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.681 -8.406 -0.871 1.00 0.00 H new ATOM 405 N ILE A 26 -4.254 -6.856 -4.426 1.00 0.00 N ATOM 406 CA ILE A 26 -4.283 -5.377 -4.446 1.00 0.00 C ATOM 407 C ILE A 26 -5.600 -4.878 -5.044 1.00 0.00 C ATOM 408 O ILE A 26 -6.213 -3.939 -4.529 1.00 0.00 O ATOM 409 CB ILE A 26 -3.062 -4.803 -5.270 1.00 0.00 C ATOM 410 CG1 ILE A 26 -1.731 -5.054 -4.508 1.00 0.00 C ATOM 411 CG2 ILE A 26 -3.228 -3.300 -5.621 1.00 0.00 C ATOM 412 CD1 ILE A 26 -0.492 -4.647 -5.276 1.00 0.00 C ATOM 0 H ILE A 26 -3.471 -7.247 -4.950 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.204 -5.022 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.034 -5.339 -6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.756 -4.508 -3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.661 -6.113 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.360 -2.960 -6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.128 -3.164 -6.221 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.312 -2.719 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.393 -4.855 -4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.439 -5.211 -6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.536 -3.581 -5.500 1.00 0.00 H new ATOM 424 N ALA A 27 -6.062 -5.584 -6.087 1.00 0.00 N ATOM 425 CA ALA A 27 -7.298 -5.253 -6.806 1.00 0.00 C ATOM 426 C ALA A 27 -8.569 -5.535 -5.963 1.00 0.00 C ATOM 427 O ALA A 27 -9.683 -5.356 -6.452 1.00 0.00 O ATOM 428 CB ALA A 27 -7.324 -6.007 -8.145 1.00 0.00 C ATOM 0 H ALA A 27 -5.584 -6.406 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.305 -4.180 -7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.241 -5.764 -8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.463 -5.713 -8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.287 -7.080 -7.959 1.00 0.00 H new ATOM 434 N ARG A 28 -8.393 -5.986 -4.702 1.00 0.00 N ATOM 435 CA ARG A 28 -9.501 -6.193 -3.755 1.00 0.00 C ATOM 436 C ARG A 28 -9.476 -5.128 -2.629 1.00 0.00 C ATOM 437 O ARG A 28 -10.466 -4.416 -2.434 1.00 0.00 O ATOM 438 CB ARG A 28 -9.444 -7.632 -3.171 1.00 0.00 C ATOM 439 CG ARG A 28 -10.669 -8.013 -2.314 1.00 0.00 C ATOM 440 CD ARG A 28 -10.669 -9.495 -1.905 1.00 0.00 C ATOM 441 NE ARG A 28 -10.759 -10.404 -3.064 1.00 0.00 N ATOM 442 CZ ARG A 28 -11.341 -11.621 -3.061 1.00 0.00 C ATOM 443 NH1 ARG A 28 -11.904 -12.119 -1.955 1.00 0.00 N ATOM 444 NH2 ARG A 28 -11.330 -12.351 -4.170 1.00 0.00 N ATOM 0 H ARG A 28 -7.477 -6.216 -4.316 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.443 -6.078 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.354 -8.343 -3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.544 -7.731 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.687 -7.393 -1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.580 -7.794 -2.872 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.759 -9.714 -1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.508 -9.683 -1.235 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.347 -10.085 -3.941 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.899 -11.576 -1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.339 -13.042 -1.975 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.884 -11.990 -5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.767 -13.273 -4.178 1.00 0.00 H new ATOM 458 N TRP A 29 -8.335 -5.002 -1.906 1.00 0.00 N ATOM 459 CA TRP A 29 -8.261 -4.123 -0.704 1.00 0.00 C ATOM 460 C TRP A 29 -7.986 -2.639 -1.056 1.00 0.00 C ATOM 461 O TRP A 29 -8.311 -1.753 -0.259 1.00 0.00 O ATOM 462 CB TRP A 29 -7.234 -4.650 0.341 1.00 0.00 C ATOM 463 CG TRP A 29 -5.769 -4.550 -0.052 1.00 0.00 C ATOM 464 CD1 TRP A 29 -5.037 -5.472 -0.735 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.852 -3.482 0.258 1.00 0.00 C ATOM 466 NE1 TRP A 29 -3.751 -5.031 -0.899 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.606 -3.827 -0.287 1.00 0.00 C ATOM 468 CE3 TRP A 29 -4.969 -2.263 0.935 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -2.486 -3.010 -0.174 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -3.856 -1.451 1.048 1.00 0.00 C ATOM 471 CH2 TRP A 29 -2.628 -1.829 0.498 1.00 0.00 C ATOM 0 H TRP A 29 -7.465 -5.487 -2.126 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.251 -4.160 -0.249 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.378 -4.100 1.271 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.463 -5.695 0.550 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.416 -6.417 -1.096 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.017 -5.529 -1.402 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.914 -1.961 1.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.538 -3.299 -0.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.937 -0.509 1.570 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.775 -1.175 0.606 1.00 0.00 H new ATOM 482 N ASN A 30 -7.377 -2.357 -2.223 1.00 0.00 N ATOM 483 CA ASN A 30 -7.139 -0.958 -2.667 1.00 0.00 C ATOM 484 C ASN A 30 -8.426 -0.374 -3.256 1.00 0.00 C ATOM 485 O ASN A 30 -8.794 -0.668 -4.397 1.00 0.00 O ATOM 486 CB ASN A 30 -5.977 -0.863 -3.694 1.00 0.00 C ATOM 487 CG ASN A 30 -4.606 -0.974 -3.039 1.00 0.00 C ATOM 488 OD1 ASN A 30 -3.975 0.028 -2.704 1.00 0.00 O ATOM 489 ND2 ASN A 30 -4.151 -2.186 -2.825 1.00 0.00 N ATOM 0 H ASN A 30 -7.041 -3.067 -2.874 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.844 -0.376 -1.794 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.087 -1.655 -4.435 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.045 0.085 -4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.249 -2.319 -2.368 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.700 -2.995 -3.115 1.00 0.00 H new ATOM 496 N ALA A 31 -9.119 0.429 -2.443 1.00 0.00 N ATOM 497 CA ALA A 31 -10.359 1.102 -2.834 1.00 0.00 C ATOM 498 C ALA A 31 -10.486 2.409 -2.050 1.00 0.00 C ATOM 499 O ALA A 31 -10.336 2.414 -0.818 1.00 0.00 O ATOM 500 CB ALA A 31 -11.571 0.193 -2.573 1.00 0.00 C ATOM 0 H ALA A 31 -8.831 0.631 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.332 1.323 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.484 0.710 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.469 -0.725 -3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.621 -0.051 -1.512 1.00 0.00 H new ATOM 506 N ALA A 32 -10.735 3.511 -2.782 1.00 0.00 N ATOM 507 CA ALA A 32 -10.998 4.835 -2.194 1.00 0.00 C ATOM 508 C ALA A 32 -12.306 4.806 -1.380 1.00 0.00 C ATOM 509 O ALA A 32 -12.373 5.324 -0.257 1.00 0.00 O ATOM 510 CB ALA A 32 -11.062 5.897 -3.307 1.00 0.00 C ATOM 0 H ALA A 32 -10.759 3.506 -3.802 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.185 5.096 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -11.257 6.875 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.112 5.922 -3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.863 5.647 -4.003 1.00 0.00 H new ATOM 516 N SER A 33 -13.332 4.171 -1.970 1.00 0.00 N ATOM 517 CA SER A 33 -14.655 3.972 -1.352 1.00 0.00 C ATOM 518 C SER A 33 -15.239 2.613 -1.793 1.00 0.00 C ATOM 519 O SER A 33 -14.611 1.894 -2.577 1.00 0.00 O ATOM 520 CB SER A 33 -15.599 5.136 -1.740 1.00 0.00 C ATOM 521 OG SER A 33 -15.094 6.386 -1.290 1.00 0.00 O ATOM 0 H SER A 33 -13.265 3.774 -2.907 1.00 0.00 H new ATOM 0 HA SER A 33 -14.552 3.965 -0.267 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.723 5.160 -2.823 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.586 4.965 -1.310 1.00 0.00 H new ATOM 0 HG SER A 33 -15.711 7.101 -1.551 1.00 0.00 H new ATOM 527 N SER A 34 -16.444 2.284 -1.285 1.00 0.00 N ATOM 528 CA SER A 34 -17.152 1.026 -1.603 1.00 0.00 C ATOM 529 C SER A 34 -17.518 0.934 -3.095 1.00 0.00 C ATOM 530 O SER A 34 -17.520 -0.149 -3.683 1.00 0.00 O ATOM 531 CB SER A 34 -18.424 0.926 -0.737 1.00 0.00 C ATOM 532 OG SER A 34 -19.231 2.086 -0.873 1.00 0.00 O ATOM 0 H SER A 34 -16.956 2.886 -0.640 1.00 0.00 H new ATOM 0 HA SER A 34 -16.483 0.194 -1.382 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.997 0.045 -1.028 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.146 0.794 0.309 1.00 0.00 H new ATOM 0 HG SER A 34 -20.031 1.995 -0.315 1.00 0.00 H new ATOM 538 N ASP A 35 -17.818 2.099 -3.695 1.00 0.00 N ATOM 539 CA ASP A 35 -18.190 2.220 -5.121 1.00 0.00 C ATOM 540 C ASP A 35 -16.955 2.220 -6.037 1.00 0.00 C ATOM 541 O ASP A 35 -17.090 2.250 -7.260 1.00 0.00 O ATOM 542 CB ASP A 35 -19.003 3.514 -5.333 1.00 0.00 C ATOM 543 CG ASP A 35 -20.272 3.575 -4.467 1.00 0.00 C ATOM 544 OD1 ASP A 35 -20.188 4.039 -3.306 1.00 0.00 O ATOM 545 OD2 ASP A 35 -21.353 3.153 -4.936 1.00 0.00 O ATOM 0 H ASP A 35 -17.810 2.992 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.795 1.353 -5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.373 4.374 -5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -19.283 3.593 -6.384 1.00 0.00 H new ATOM 550 N TRP A 36 -15.758 2.155 -5.434 1.00 0.00 N ATOM 551 CA TRP A 36 -14.472 2.214 -6.148 1.00 0.00 C ATOM 552 C TRP A 36 -13.732 0.886 -5.963 1.00 0.00 C ATOM 553 O TRP A 36 -13.878 0.221 -4.935 1.00 0.00 O ATOM 554 CB TRP A 36 -13.613 3.410 -5.647 1.00 0.00 C ATOM 555 CG TRP A 36 -14.188 4.758 -6.038 1.00 0.00 C ATOM 556 CD1 TRP A 36 -15.241 5.408 -5.455 1.00 0.00 C ATOM 557 CD2 TRP A 36 -13.756 5.603 -7.117 1.00 0.00 C ATOM 558 NE1 TRP A 36 -15.484 6.590 -6.107 1.00 0.00 N ATOM 559 CE2 TRP A 36 -14.591 6.732 -7.128 1.00 0.00 C ATOM 560 CE3 TRP A 36 -12.749 5.512 -8.073 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -14.446 7.758 -8.056 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -12.604 6.531 -8.995 1.00 0.00 C ATOM 563 CH2 TRP A 36 -13.449 7.641 -8.983 1.00 0.00 C ATOM 0 H TRP A 36 -15.654 2.059 -4.424 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.657 2.372 -7.210 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -13.527 3.359 -4.562 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -12.605 3.320 -6.051 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -15.799 5.044 -4.605 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -16.217 7.257 -5.866 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -12.090 4.657 -8.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -15.099 8.618 -8.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.823 6.467 -9.738 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -13.313 8.420 -9.718 1.00 0.00 H new ATOM 574 N HIS A 37 -12.941 0.515 -6.971 1.00 0.00 N ATOM 575 CA HIS A 37 -12.278 -0.789 -7.041 1.00 0.00 C ATOM 576 C HIS A 37 -11.115 -0.701 -8.037 1.00 0.00 C ATOM 577 O HIS A 37 -11.295 -0.182 -9.140 1.00 0.00 O ATOM 578 CB HIS A 37 -13.328 -1.879 -7.456 1.00 0.00 C ATOM 579 CG HIS A 37 -12.799 -3.065 -8.222 1.00 0.00 C ATOM 580 ND1 HIS A 37 -12.119 -4.114 -7.650 1.00 0.00 N ATOM 581 CD2 HIS A 37 -12.859 -3.341 -9.544 1.00 0.00 C ATOM 582 CE1 HIS A 37 -11.802 -4.988 -8.586 1.00 0.00 C ATOM 583 NE2 HIS A 37 -12.234 -4.542 -9.740 1.00 0.00 N ATOM 0 H HIS A 37 -12.740 1.117 -7.770 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.871 -1.073 -6.071 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -13.814 -2.246 -6.552 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.098 -1.399 -8.060 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.316 -2.726 -10.305 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -11.274 -5.917 -8.428 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -12.122 -5.013 -10.638 1.00 0.00 H new ATOM 592 N THR A 38 -9.929 -1.195 -7.644 1.00 0.00 N ATOM 593 CA THR A 38 -8.780 -1.260 -8.550 1.00 0.00 C ATOM 594 C THR A 38 -9.048 -2.308 -9.662 1.00 0.00 C ATOM 595 O THR A 38 -9.021 -3.519 -9.423 1.00 0.00 O ATOM 596 CB THR A 38 -7.453 -1.548 -7.779 1.00 0.00 C ATOM 597 OG1 THR A 38 -7.204 -0.492 -6.838 1.00 0.00 O ATOM 598 CG2 THR A 38 -6.245 -1.666 -8.721 1.00 0.00 C ATOM 0 H THR A 38 -9.745 -1.553 -6.707 1.00 0.00 H new ATOM 0 HA THR A 38 -8.652 -0.286 -9.022 1.00 0.00 H new ATOM 0 HB THR A 38 -7.577 -2.502 -7.268 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.783 -0.607 -6.056 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.347 -1.866 -8.137 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.410 -2.482 -9.424 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.120 -0.733 -9.271 1.00 0.00 H new ATOM 606 N THR A 39 -9.356 -1.796 -10.865 1.00 0.00 N ATOM 607 CA THR A 39 -9.765 -2.596 -12.029 1.00 0.00 C ATOM 608 C THR A 39 -8.539 -3.117 -12.806 1.00 0.00 C ATOM 609 O THR A 39 -8.567 -4.225 -13.360 1.00 0.00 O ATOM 610 CB THR A 39 -10.642 -1.716 -12.976 1.00 0.00 C ATOM 611 OG1 THR A 39 -9.893 -0.549 -13.371 1.00 0.00 O ATOM 612 CG2 THR A 39 -11.957 -1.273 -12.302 1.00 0.00 C ATOM 0 H THR A 39 -9.327 -0.795 -11.058 1.00 0.00 H new ATOM 0 HA THR A 39 -10.336 -3.454 -11.674 1.00 0.00 H new ATOM 0 HB THR A 39 -10.900 -2.319 -13.846 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.440 0.005 -13.967 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.535 -0.664 -12.997 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.537 -2.153 -12.022 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.730 -0.689 -11.410 1.00 0.00 H new ATOM 620 N GLY A 40 -7.468 -2.301 -12.834 1.00 0.00 N ATOM 621 CA GLY A 40 -6.217 -2.651 -13.505 1.00 0.00 C ATOM 622 C GLY A 40 -5.039 -2.535 -12.558 1.00 0.00 C ATOM 623 O GLY A 40 -4.482 -1.442 -12.384 1.00 0.00 O ATOM 0 H GLY A 40 -7.453 -1.383 -12.390 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.279 -3.669 -13.890 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.065 -1.995 -14.362 1.00 0.00 H new ATOM 627 N SER A 41 -4.674 -3.657 -11.918 1.00 0.00 N ATOM 628 CA SER A 41 -3.562 -3.708 -10.962 1.00 0.00 C ATOM 629 C SER A 41 -2.395 -4.506 -11.557 1.00 0.00 C ATOM 630 O SER A 41 -2.465 -5.736 -11.680 1.00 0.00 O ATOM 631 CB SER A 41 -4.016 -4.336 -9.632 1.00 0.00 C ATOM 632 OG SER A 41 -2.988 -4.250 -8.657 1.00 0.00 O ATOM 0 H SER A 41 -5.143 -4.553 -12.050 1.00 0.00 H new ATOM 0 HA SER A 41 -3.229 -2.689 -10.762 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.910 -3.827 -9.271 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.286 -5.380 -9.791 1.00 0.00 H new ATOM 0 HG SER A 41 -2.613 -3.345 -8.656 1.00 0.00 H new ATOM 638 N ARG A 42 -1.356 -3.781 -11.979 1.00 0.00 N ATOM 639 CA ARG A 42 -0.084 -4.346 -12.441 1.00 0.00 C ATOM 640 C ARG A 42 1.010 -4.029 -11.410 1.00 0.00 C ATOM 641 O ARG A 42 0.969 -2.973 -10.764 1.00 0.00 O ATOM 642 CB ARG A 42 0.278 -3.741 -13.825 1.00 0.00 C ATOM 643 CG ARG A 42 -0.737 -4.051 -14.949 1.00 0.00 C ATOM 644 CD ARG A 42 -0.309 -3.459 -16.305 1.00 0.00 C ATOM 645 NE ARG A 42 1.023 -3.942 -16.720 1.00 0.00 N ATOM 646 CZ ARG A 42 1.695 -3.541 -17.813 1.00 0.00 C ATOM 647 NH1 ARG A 42 1.179 -2.631 -18.645 1.00 0.00 N ATOM 648 NH2 ARG A 42 2.892 -4.058 -18.066 1.00 0.00 N ATOM 0 H ARG A 42 -1.375 -2.762 -12.010 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.170 -5.428 -12.546 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.367 -2.660 -13.722 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.257 -4.114 -14.125 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.849 -5.131 -15.046 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.713 -3.653 -14.673 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.044 -3.723 -17.065 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.296 -2.371 -16.239 1.00 0.00 H new ATOM 0 HE ARG A 42 1.472 -4.640 -16.127 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.261 -2.229 -18.455 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.703 -2.339 -19.470 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.292 -4.752 -17.434 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.411 -3.761 -18.892 1.00 0.00 H new ATOM 662 N VAL A 43 1.961 -4.964 -11.241 1.00 0.00 N ATOM 663 CA VAL A 43 3.107 -4.843 -10.310 1.00 0.00 C ATOM 664 C VAL A 43 4.349 -5.487 -10.957 1.00 0.00 C ATOM 665 O VAL A 43 4.318 -6.666 -11.323 1.00 0.00 O ATOM 666 CB VAL A 43 2.841 -5.561 -8.917 1.00 0.00 C ATOM 667 CG1 VAL A 43 4.050 -5.423 -7.959 1.00 0.00 C ATOM 668 CG2 VAL A 43 1.556 -5.044 -8.239 1.00 0.00 C ATOM 0 H VAL A 43 1.959 -5.844 -11.756 1.00 0.00 H new ATOM 0 HA VAL A 43 3.258 -3.781 -10.118 1.00 0.00 H new ATOM 0 HB VAL A 43 2.702 -6.620 -9.137 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.828 -5.927 -7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.930 -5.877 -8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.244 -4.368 -7.768 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.412 -5.561 -7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.645 -3.973 -8.059 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.701 -5.232 -8.888 1.00 0.00 H new ATOM 678 N ASP A 44 5.430 -4.711 -11.105 1.00 0.00 N ATOM 679 CA ASP A 44 6.758 -5.241 -11.472 1.00 0.00 C ATOM 680 C ASP A 44 7.664 -5.091 -10.256 1.00 0.00 C ATOM 681 O ASP A 44 8.353 -4.074 -10.093 1.00 0.00 O ATOM 682 CB ASP A 44 7.355 -4.529 -12.717 1.00 0.00 C ATOM 683 CG ASP A 44 6.565 -4.821 -14.003 1.00 0.00 C ATOM 684 OD1 ASP A 44 6.653 -5.955 -14.521 1.00 0.00 O ATOM 685 OD2 ASP A 44 5.849 -3.929 -14.504 1.00 0.00 O ATOM 0 H ASP A 44 5.413 -3.699 -10.975 1.00 0.00 H new ATOM 0 HA ASP A 44 6.667 -6.290 -11.753 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.372 -3.453 -12.542 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.389 -4.846 -12.851 1.00 0.00 H new ATOM 690 N LEU A 45 7.588 -6.096 -9.367 1.00 0.00 N ATOM 691 CA LEU A 45 8.313 -6.113 -8.096 1.00 0.00 C ATOM 692 C LEU A 45 9.816 -6.390 -8.322 1.00 0.00 C ATOM 693 O LEU A 45 10.280 -7.530 -8.202 1.00 0.00 O ATOM 694 CB LEU A 45 7.698 -7.177 -7.135 1.00 0.00 C ATOM 695 CG LEU A 45 8.332 -7.233 -5.707 1.00 0.00 C ATOM 696 CD1 LEU A 45 8.009 -5.954 -4.913 1.00 0.00 C ATOM 697 CD2 LEU A 45 7.925 -8.518 -4.943 1.00 0.00 C ATOM 0 H LEU A 45 7.014 -6.926 -9.517 1.00 0.00 H new ATOM 0 HA LEU A 45 8.217 -5.130 -7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.631 -6.977 -7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.796 -8.159 -7.597 1.00 0.00 H new ATOM 0 HG LEU A 45 9.415 -7.279 -5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.461 -6.017 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.409 -5.088 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.929 -5.851 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.387 -8.516 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.841 -8.550 -4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.260 -9.393 -5.499 1.00 0.00 H new ATOM 709 N VAL A 46 10.540 -5.340 -8.729 1.00 0.00 N ATOM 710 CA VAL A 46 12.014 -5.308 -8.820 1.00 0.00 C ATOM 711 C VAL A 46 12.490 -3.906 -8.414 1.00 0.00 C ATOM 712 O VAL A 46 11.684 -2.961 -8.361 1.00 0.00 O ATOM 713 CB VAL A 46 12.568 -5.665 -10.266 1.00 0.00 C ATOM 714 CG1 VAL A 46 12.423 -7.171 -10.584 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.902 -4.803 -11.362 1.00 0.00 C ATOM 0 H VAL A 46 10.108 -4.461 -9.014 1.00 0.00 H new ATOM 0 HA VAL A 46 12.404 -6.074 -8.149 1.00 0.00 H new ATOM 0 HB VAL A 46 13.633 -5.431 -10.260 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.814 -7.371 -11.582 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.982 -7.753 -9.851 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.371 -7.452 -10.543 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.307 -5.077 -12.336 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.826 -4.974 -11.355 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.103 -3.749 -11.168 1.00 0.00 H new ATOM 725 N VAL A 47 13.793 -3.780 -8.108 1.00 0.00 N ATOM 726 CA VAL A 47 14.415 -2.491 -7.759 1.00 0.00 C ATOM 727 C VAL A 47 14.498 -1.633 -9.032 1.00 0.00 C ATOM 728 O VAL A 47 15.252 -1.962 -9.955 1.00 0.00 O ATOM 729 CB VAL A 47 15.852 -2.695 -7.130 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.509 -1.344 -6.761 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.791 -3.635 -5.903 1.00 0.00 C ATOM 0 H VAL A 47 14.443 -4.566 -8.096 1.00 0.00 H new ATOM 0 HA VAL A 47 13.806 -1.989 -7.007 1.00 0.00 H new ATOM 0 HB VAL A 47 16.477 -3.167 -7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.495 -1.524 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.610 -0.732 -7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.886 -0.823 -6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.792 -3.759 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.136 -3.203 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.402 -4.606 -6.208 1.00 0.00 H new ATOM 741 N GLY A 48 13.678 -0.570 -9.094 1.00 0.00 N ATOM 742 CA GLY A 48 13.568 0.282 -10.288 1.00 0.00 C ATOM 743 C GLY A 48 12.403 -0.117 -11.184 1.00 0.00 C ATOM 744 O GLY A 48 12.230 0.458 -12.270 1.00 0.00 O ATOM 0 H GLY A 48 13.077 -0.279 -8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.446 1.320 -9.979 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.496 0.226 -10.857 1.00 0.00 H new ATOM 748 N GLY A 49 11.600 -1.104 -10.726 1.00 0.00 N ATOM 749 CA GLY A 49 10.393 -1.548 -11.434 1.00 0.00 C ATOM 750 C GLY A 49 9.182 -0.709 -11.089 1.00 0.00 C ATOM 751 O GLY A 49 9.193 0.012 -10.103 1.00 0.00 O ATOM 0 H GLY A 49 11.776 -1.609 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.568 -1.504 -12.509 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.192 -2.590 -11.186 1.00 0.00 H new ATOM 755 N ARG A 50 8.119 -0.810 -11.902 1.00 0.00 N ATOM 756 CA ARG A 50 6.943 0.083 -11.801 1.00 0.00 C ATOM 757 C ARG A 50 5.665 -0.715 -11.511 1.00 0.00 C ATOM 758 O ARG A 50 5.596 -1.910 -11.773 1.00 0.00 O ATOM 759 CB ARG A 50 6.784 0.911 -13.113 1.00 0.00 C ATOM 760 CG ARG A 50 8.022 1.765 -13.474 1.00 0.00 C ATOM 761 CD ARG A 50 7.806 2.681 -14.697 1.00 0.00 C ATOM 762 NE ARG A 50 9.037 3.419 -15.056 1.00 0.00 N ATOM 763 CZ ARG A 50 9.144 4.322 -16.054 1.00 0.00 C ATOM 764 NH1 ARG A 50 8.092 4.645 -16.812 1.00 0.00 N ATOM 765 NH2 ARG A 50 10.314 4.897 -16.292 1.00 0.00 N ATOM 0 H ARG A 50 8.045 -1.506 -12.644 1.00 0.00 H new ATOM 0 HA ARG A 50 7.105 0.768 -10.968 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.573 0.229 -13.937 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.920 1.567 -13.013 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.293 2.378 -12.615 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.865 1.103 -13.671 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.481 2.081 -15.547 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.007 3.390 -14.483 1.00 0.00 H new ATOM 0 HE ARG A 50 9.874 3.230 -14.504 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.187 4.207 -16.642 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.194 5.330 -17.561 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.126 4.656 -15.723 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.403 5.580 -17.044 1.00 0.00 H new ATOM 779 N PHE A 51 4.659 -0.023 -10.955 1.00 0.00 N ATOM 780 CA PHE A 51 3.318 -0.580 -10.697 1.00 0.00 C ATOM 781 C PHE A 51 2.251 0.421 -11.169 1.00 0.00 C ATOM 782 O PHE A 51 2.528 1.621 -11.293 1.00 0.00 O ATOM 783 CB PHE A 51 3.131 -0.907 -9.189 1.00 0.00 C ATOM 784 CG PHE A 51 3.209 0.305 -8.257 1.00 0.00 C ATOM 785 CD1 PHE A 51 4.437 0.781 -7.809 1.00 0.00 C ATOM 786 CD2 PHE A 51 2.054 0.980 -7.851 1.00 0.00 C ATOM 787 CE1 PHE A 51 4.508 1.884 -6.983 1.00 0.00 C ATOM 788 CE2 PHE A 51 2.128 2.086 -7.029 1.00 0.00 C ATOM 789 CZ PHE A 51 3.355 2.538 -6.597 1.00 0.00 C ATOM 0 H PHE A 51 4.753 0.951 -10.668 1.00 0.00 H new ATOM 0 HA PHE A 51 3.210 -1.511 -11.253 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.164 -1.391 -9.053 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.892 -1.627 -8.890 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.345 0.281 -8.111 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.089 0.630 -8.186 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.468 2.237 -6.637 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.226 2.596 -6.725 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.415 3.405 -5.956 1.00 0.00 H new ATOM 799 N CYS A 52 1.033 -0.080 -11.427 1.00 0.00 N ATOM 800 CA CYS A 52 -0.123 0.753 -11.799 1.00 0.00 C ATOM 801 C CYS A 52 -1.390 0.182 -11.150 1.00 0.00 C ATOM 802 O CYS A 52 -1.739 -0.965 -11.407 1.00 0.00 O ATOM 803 CB CYS A 52 -0.266 0.779 -13.336 1.00 0.00 C ATOM 804 SG CYS A 52 1.208 1.376 -14.189 1.00 0.00 S ATOM 0 H CYS A 52 0.821 -1.077 -11.384 1.00 0.00 H new ATOM 0 HA CYS A 52 0.025 1.773 -11.445 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.497 -0.226 -13.688 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.112 1.413 -13.603 1.00 0.00 H new ATOM 0 HG CYS A 52 2.064 1.821 -13.317 1.00 0.00 H new ATOM 810 N HIS A 53 -2.052 0.958 -10.274 1.00 0.00 N ATOM 811 CA HIS A 53 -3.297 0.528 -9.599 1.00 0.00 C ATOM 812 C HIS A 53 -4.442 1.480 -9.965 1.00 0.00 C ATOM 813 O HIS A 53 -4.600 2.539 -9.358 1.00 0.00 O ATOM 814 CB HIS A 53 -3.096 0.463 -8.054 1.00 0.00 C ATOM 815 CG HIS A 53 -1.933 -0.399 -7.625 1.00 0.00 C ATOM 816 ND1 HIS A 53 -1.524 -1.520 -8.320 1.00 0.00 N ATOM 817 CD2 HIS A 53 -1.064 -0.274 -6.589 1.00 0.00 C ATOM 818 CE1 HIS A 53 -0.461 -2.033 -7.742 1.00 0.00 C ATOM 819 NE2 HIS A 53 -0.158 -1.298 -6.694 1.00 0.00 N ATOM 0 H HIS A 53 -1.745 1.895 -10.013 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.555 -0.475 -9.940 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.946 1.474 -7.674 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.008 0.081 -7.594 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.083 0.489 -5.825 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.074 -2.911 -8.072 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.625 -1.463 -6.061 1.00 0.00 H new ATOM 828 N HIS A 54 -5.223 1.096 -10.979 1.00 0.00 N ATOM 829 CA HIS A 54 -6.341 1.906 -11.483 1.00 0.00 C ATOM 830 C HIS A 54 -7.549 1.811 -10.537 1.00 0.00 C ATOM 831 O HIS A 54 -8.408 0.950 -10.705 1.00 0.00 O ATOM 832 CB HIS A 54 -6.728 1.456 -12.917 1.00 0.00 C ATOM 833 CG HIS A 54 -5.733 1.859 -13.969 1.00 0.00 C ATOM 834 ND1 HIS A 54 -5.935 2.923 -14.821 1.00 0.00 N ATOM 835 CD2 HIS A 54 -4.538 1.326 -14.321 1.00 0.00 C ATOM 836 CE1 HIS A 54 -4.916 3.026 -15.646 1.00 0.00 C ATOM 837 NE2 HIS A 54 -4.055 2.074 -15.357 1.00 0.00 N ATOM 0 H HIS A 54 -5.099 0.214 -11.476 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.024 2.948 -11.523 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -6.837 0.372 -12.930 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.701 1.878 -13.170 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -4.058 0.471 -13.868 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -4.805 3.765 -16.426 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -3.166 1.919 -15.832 1.00 0.00 H new ATOM 846 N MET A 55 -7.590 2.715 -9.544 1.00 0.00 N ATOM 847 CA MET A 55 -8.697 2.791 -8.577 1.00 0.00 C ATOM 848 C MET A 55 -9.871 3.492 -9.272 1.00 0.00 C ATOM 849 O MET A 55 -9.884 4.713 -9.413 1.00 0.00 O ATOM 850 CB MET A 55 -8.269 3.573 -7.299 1.00 0.00 C ATOM 851 CG MET A 55 -7.113 2.941 -6.519 1.00 0.00 C ATOM 852 SD MET A 55 -6.714 3.879 -5.024 1.00 0.00 S ATOM 853 CE MET A 55 -5.385 2.900 -4.323 1.00 0.00 C ATOM 0 H MET A 55 -6.860 3.411 -9.390 1.00 0.00 H new ATOM 0 HA MET A 55 -8.985 1.790 -8.257 1.00 0.00 H new ATOM 0 HB2 MET A 55 -7.984 4.585 -7.587 1.00 0.00 H new ATOM 0 HB3 MET A 55 -9.131 3.660 -6.637 1.00 0.00 H new ATOM 0 HG2 MET A 55 -7.375 1.919 -6.247 1.00 0.00 H new ATOM 0 HG3 MET A 55 -6.232 2.885 -7.158 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.706 2.480 -3.370 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.128 2.092 -5.008 1.00 0.00 H new ATOM 0 HE3 MET A 55 -4.511 3.533 -4.165 1.00 0.00 H new ATOM 863 N ALA A 56 -10.848 2.688 -9.696 1.00 0.00 N ATOM 864 CA ALA A 56 -11.883 3.101 -10.652 1.00 0.00 C ATOM 865 C ALA A 56 -13.266 2.678 -10.155 1.00 0.00 C ATOM 866 O ALA A 56 -13.420 1.581 -9.612 1.00 0.00 O ATOM 867 CB ALA A 56 -11.578 2.502 -12.033 1.00 0.00 C ATOM 0 H ALA A 56 -10.946 1.722 -9.384 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.882 4.187 -10.740 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.347 2.810 -12.741 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.606 2.856 -12.377 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.564 1.414 -11.963 1.00 0.00 H new ATOM 873 N ALA A 57 -14.254 3.572 -10.335 1.00 0.00 N ATOM 874 CA ALA A 57 -15.646 3.330 -9.939 1.00 0.00 C ATOM 875 C ALA A 57 -16.183 2.086 -10.664 1.00 0.00 C ATOM 876 O ALA A 57 -16.263 2.071 -11.888 1.00 0.00 O ATOM 877 CB ALA A 57 -16.509 4.573 -10.235 1.00 0.00 C ATOM 0 H ALA A 57 -14.105 4.486 -10.762 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.691 3.144 -8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.539 4.380 -9.937 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.123 5.425 -9.676 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.476 4.793 -11.302 1.00 0.00 H new ATOM 883 N LYS A 58 -16.515 1.034 -9.903 1.00 0.00 N ATOM 884 CA LYS A 58 -16.967 -0.254 -10.468 1.00 0.00 C ATOM 885 C LYS A 58 -18.279 -0.100 -11.276 1.00 0.00 C ATOM 886 O LYS A 58 -18.584 -0.926 -12.144 1.00 0.00 O ATOM 887 CB LYS A 58 -17.120 -1.300 -9.331 1.00 0.00 C ATOM 888 CG LYS A 58 -18.162 -0.937 -8.245 1.00 0.00 C ATOM 889 CD LYS A 58 -18.135 -1.916 -7.050 1.00 0.00 C ATOM 890 CE LYS A 58 -19.188 -1.568 -5.988 1.00 0.00 C ATOM 891 NZ LYS A 58 -19.083 -2.443 -4.789 1.00 0.00 N ATOM 0 H LYS A 58 -16.480 1.047 -8.884 1.00 0.00 H new ATOM 0 HA LYS A 58 -16.210 -0.606 -11.169 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.396 -2.257 -9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.151 -1.438 -8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -17.971 0.075 -7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.158 -0.936 -8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.307 -2.930 -7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.145 -1.903 -6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -19.070 -0.527 -5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.184 -1.664 -6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -20.035 -2.652 -4.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.608 -3.331 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.532 -1.958 -4.052 1.00 0.00 H new ATOM 905 N ASP A 59 -19.042 0.971 -10.972 1.00 0.00 N ATOM 906 CA ASP A 59 -20.313 1.302 -11.654 1.00 0.00 C ATOM 907 C ASP A 59 -20.210 2.569 -12.554 1.00 0.00 C ATOM 908 O ASP A 59 -21.215 2.976 -13.157 1.00 0.00 O ATOM 909 CB ASP A 59 -21.424 1.497 -10.587 1.00 0.00 C ATOM 910 CG ASP A 59 -21.203 2.739 -9.695 1.00 0.00 C ATOM 911 OD1 ASP A 59 -20.172 2.792 -8.978 1.00 0.00 O ATOM 912 OD2 ASP A 59 -22.050 3.661 -9.709 1.00 0.00 O ATOM 0 H ASP A 59 -18.792 1.636 -10.240 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.556 0.471 -12.316 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -22.388 1.585 -11.088 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.472 0.609 -9.956 1.00 0.00 H new ATOM 917 N GLY A 60 -19.005 3.183 -12.650 1.00 0.00 N ATOM 918 CA GLY A 60 -18.820 4.441 -13.410 1.00 0.00 C ATOM 919 C GLY A 60 -17.456 4.551 -14.091 1.00 0.00 C ATOM 920 O GLY A 60 -16.508 3.865 -13.721 1.00 0.00 O ATOM 0 H GLY A 60 -18.153 2.830 -12.214 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -19.601 4.517 -14.166 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -18.948 5.286 -12.734 1.00 0.00 H new ATOM 924 N SER A 61 -17.360 5.437 -15.095 1.00 0.00 N ATOM 925 CA SER A 61 -16.161 5.556 -15.960 1.00 0.00 C ATOM 926 C SER A 61 -14.962 6.252 -15.277 1.00 0.00 C ATOM 927 O SER A 61 -13.833 6.109 -15.753 1.00 0.00 O ATOM 928 CB SER A 61 -16.530 6.284 -17.275 1.00 0.00 C ATOM 929 OG SER A 61 -17.506 5.552 -18.011 1.00 0.00 O ATOM 0 H SER A 61 -18.105 6.092 -15.335 1.00 0.00 H new ATOM 0 HA SER A 61 -15.833 4.538 -16.172 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.912 7.279 -17.048 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.636 6.417 -17.884 1.00 0.00 H new ATOM 0 HG SER A 61 -17.723 6.034 -18.836 1.00 0.00 H new ATOM 935 N ALA A 62 -15.205 6.998 -14.175 1.00 0.00 N ATOM 936 CA ALA A 62 -14.133 7.719 -13.443 1.00 0.00 C ATOM 937 C ALA A 62 -13.150 6.738 -12.785 1.00 0.00 C ATOM 938 O ALA A 62 -13.562 5.680 -12.296 1.00 0.00 O ATOM 939 CB ALA A 62 -14.731 8.681 -12.399 1.00 0.00 C ATOM 0 H ALA A 62 -16.134 7.118 -13.771 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.576 8.311 -14.169 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.926 9.197 -11.876 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.366 9.412 -12.900 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.325 8.115 -11.681 1.00 0.00 H new ATOM 945 N GLY A 63 -11.855 7.108 -12.772 1.00 0.00 N ATOM 946 CA GLY A 63 -10.810 6.234 -12.258 1.00 0.00 C ATOM 947 C GLY A 63 -9.486 6.950 -12.064 1.00 0.00 C ATOM 948 O GLY A 63 -8.937 7.513 -13.015 1.00 0.00 O ATOM 0 H GLY A 63 -11.518 8.008 -13.114 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.132 5.811 -11.306 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.669 5.400 -12.946 1.00 0.00 H new ATOM 952 N PHE A 64 -8.989 6.944 -10.818 1.00 0.00 N ATOM 953 CA PHE A 64 -7.661 7.463 -10.475 1.00 0.00 C ATOM 954 C PHE A 64 -6.612 6.366 -10.729 1.00 0.00 C ATOM 955 O PHE A 64 -6.635 5.319 -10.076 1.00 0.00 O ATOM 956 CB PHE A 64 -7.619 7.888 -8.980 1.00 0.00 C ATOM 957 CG PHE A 64 -8.723 8.860 -8.565 1.00 0.00 C ATOM 958 CD1 PHE A 64 -8.710 10.186 -9.005 1.00 0.00 C ATOM 959 CD2 PHE A 64 -9.772 8.452 -7.736 1.00 0.00 C ATOM 960 CE1 PHE A 64 -9.709 11.066 -8.628 1.00 0.00 C ATOM 961 CE2 PHE A 64 -10.768 9.336 -7.360 1.00 0.00 C ATOM 962 CZ PHE A 64 -10.737 10.640 -7.808 1.00 0.00 C ATOM 0 H PHE A 64 -9.502 6.576 -10.017 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.445 8.334 -11.093 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.687 6.994 -8.360 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.652 8.347 -8.773 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.911 10.528 -9.647 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -9.806 7.432 -7.384 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.685 12.088 -8.975 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -11.569 9.005 -6.716 1.00 0.00 H new ATOM 0 HZ PHE A 64 -11.517 11.329 -7.518 1.00 0.00 H new ATOM 972 N ASP A 65 -5.708 6.605 -11.683 1.00 0.00 N ATOM 973 CA ASP A 65 -4.561 5.715 -11.927 1.00 0.00 C ATOM 974 C ASP A 65 -3.499 5.994 -10.854 1.00 0.00 C ATOM 975 O ASP A 65 -3.062 7.128 -10.703 1.00 0.00 O ATOM 976 CB ASP A 65 -3.993 5.913 -13.368 1.00 0.00 C ATOM 977 CG ASP A 65 -3.548 7.357 -13.680 1.00 0.00 C ATOM 978 OD1 ASP A 65 -4.422 8.247 -13.780 1.00 0.00 O ATOM 979 OD2 ASP A 65 -2.329 7.611 -13.834 1.00 0.00 O ATOM 0 H ASP A 65 -5.746 7.413 -12.305 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.876 4.674 -11.861 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.143 5.245 -13.506 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.753 5.615 -14.090 1.00 0.00 H new ATOM 984 N PHE A 66 -3.149 4.969 -10.065 1.00 0.00 N ATOM 985 CA PHE A 66 -2.148 5.086 -8.986 1.00 0.00 C ATOM 986 C PHE A 66 -0.858 4.394 -9.441 1.00 0.00 C ATOM 987 O PHE A 66 -0.595 3.227 -9.108 1.00 0.00 O ATOM 988 CB PHE A 66 -2.700 4.495 -7.655 1.00 0.00 C ATOM 989 CG PHE A 66 -1.774 4.664 -6.445 1.00 0.00 C ATOM 990 CD1 PHE A 66 -1.513 5.933 -5.922 1.00 0.00 C ATOM 991 CD2 PHE A 66 -1.153 3.563 -5.846 1.00 0.00 C ATOM 992 CE1 PHE A 66 -0.668 6.094 -4.839 1.00 0.00 C ATOM 993 CE2 PHE A 66 -0.306 3.727 -4.764 1.00 0.00 C ATOM 994 CZ PHE A 66 -0.062 4.993 -4.261 1.00 0.00 C ATOM 0 H PHE A 66 -3.549 4.035 -10.153 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.928 6.135 -8.787 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.656 4.969 -7.432 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.896 3.433 -7.799 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.977 6.800 -6.369 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.337 2.572 -6.233 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.481 7.081 -4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.165 2.867 -4.312 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.601 5.121 -3.418 1.00 0.00 H new ATOM 1004 N THR A 67 -0.101 5.102 -10.284 1.00 0.00 N ATOM 1005 CA THR A 67 1.147 4.592 -10.859 1.00 0.00 C ATOM 1006 C THR A 67 2.352 5.040 -10.007 1.00 0.00 C ATOM 1007 O THR A 67 2.256 6.019 -9.253 1.00 0.00 O ATOM 1008 CB THR A 67 1.322 5.077 -12.342 1.00 0.00 C ATOM 1009 OG1 THR A 67 1.396 6.503 -12.397 1.00 0.00 O ATOM 1010 CG2 THR A 67 0.166 4.622 -13.240 1.00 0.00 C ATOM 0 H THR A 67 -0.337 6.047 -10.588 1.00 0.00 H new ATOM 0 HA THR A 67 1.100 3.503 -10.859 1.00 0.00 H new ATOM 0 HB THR A 67 2.247 4.631 -12.706 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.507 6.789 -13.328 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.331 4.981 -14.256 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.115 3.533 -13.244 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.772 5.028 -12.860 1.00 0.00 H new ATOM 1018 N GLY A 68 3.467 4.307 -10.123 1.00 0.00 N ATOM 1019 CA GLY A 68 4.699 4.670 -9.434 1.00 0.00 C ATOM 1020 C GLY A 68 5.826 3.684 -9.695 1.00 0.00 C ATOM 1021 O GLY A 68 5.643 2.729 -10.446 1.00 0.00 O ATOM 0 H GLY A 68 3.535 3.461 -10.688 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.010 5.665 -9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.509 4.724 -8.362 1.00 0.00 H new ATOM 1025 N THR A 69 6.987 3.907 -9.056 1.00 0.00 N ATOM 1026 CA THR A 69 8.191 3.073 -9.249 1.00 0.00 C ATOM 1027 C THR A 69 8.794 2.661 -7.893 1.00 0.00 C ATOM 1028 O THR A 69 9.092 3.520 -7.060 1.00 0.00 O ATOM 1029 CB THR A 69 9.263 3.858 -10.075 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.720 4.250 -11.346 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.549 3.042 -10.294 1.00 0.00 C ATOM 0 H THR A 69 7.120 4.669 -8.391 1.00 0.00 H new ATOM 0 HA THR A 69 7.897 2.175 -9.792 1.00 0.00 H new ATOM 0 HB THR A 69 9.528 4.742 -9.494 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.399 4.742 -11.854 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.260 3.632 -10.872 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.988 2.789 -9.329 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.311 2.127 -10.836 1.00 0.00 H new ATOM 1039 N PHE A 70 8.990 1.345 -7.704 1.00 0.00 N ATOM 1040 CA PHE A 70 9.693 0.782 -6.542 1.00 0.00 C ATOM 1041 C PHE A 70 11.159 1.266 -6.496 1.00 0.00 C ATOM 1042 O PHE A 70 11.912 1.081 -7.458 1.00 0.00 O ATOM 1043 CB PHE A 70 9.650 -0.770 -6.593 1.00 0.00 C ATOM 1044 CG PHE A 70 8.239 -1.365 -6.602 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.429 -1.283 -5.471 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.720 -1.992 -7.736 1.00 0.00 C ATOM 1047 CE1 PHE A 70 6.150 -1.812 -5.470 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.441 -2.518 -7.734 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.658 -2.429 -6.601 1.00 0.00 C ATOM 0 H PHE A 70 8.661 0.637 -8.360 1.00 0.00 H new ATOM 0 HA PHE A 70 9.189 1.126 -5.639 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.179 -1.107 -7.485 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.192 -1.165 -5.733 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.805 -0.799 -4.582 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.326 -2.067 -8.627 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.537 -1.742 -4.583 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.054 -2.999 -8.620 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.660 -2.842 -6.600 1.00 0.00 H new ATOM 1059 N THR A 71 11.529 1.911 -5.385 1.00 0.00 N ATOM 1060 CA THR A 71 12.911 2.338 -5.112 1.00 0.00 C ATOM 1061 C THR A 71 13.691 1.201 -4.424 1.00 0.00 C ATOM 1062 O THR A 71 14.838 0.907 -4.785 1.00 0.00 O ATOM 1063 CB THR A 71 12.925 3.635 -4.230 1.00 0.00 C ATOM 1064 OG1 THR A 71 11.899 3.564 -3.221 1.00 0.00 O ATOM 1065 CG2 THR A 71 12.733 4.908 -5.064 1.00 0.00 C ATOM 0 H THR A 71 10.874 2.155 -4.642 1.00 0.00 H new ATOM 0 HA THR A 71 13.398 2.569 -6.059 1.00 0.00 H new ATOM 0 HB THR A 71 13.907 3.689 -3.759 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.919 4.378 -2.676 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.750 5.779 -4.408 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.537 4.989 -5.795 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.775 4.863 -5.582 1.00 0.00 H new ATOM 1073 N ARG A 72 13.049 0.566 -3.426 1.00 0.00 N ATOM 1074 CA ARG A 72 13.616 -0.587 -2.693 1.00 0.00 C ATOM 1075 C ARG A 72 12.593 -1.729 -2.652 1.00 0.00 C ATOM 1076 O ARG A 72 11.383 -1.491 -2.561 1.00 0.00 O ATOM 1077 CB ARG A 72 14.036 -0.208 -1.243 1.00 0.00 C ATOM 1078 CG ARG A 72 15.139 0.863 -1.142 1.00 0.00 C ATOM 1079 CD ARG A 72 16.490 0.402 -1.712 1.00 0.00 C ATOM 1080 NE ARG A 72 17.504 1.468 -1.677 1.00 0.00 N ATOM 1081 CZ ARG A 72 18.825 1.284 -1.835 1.00 0.00 C ATOM 1082 NH1 ARG A 72 19.329 0.068 -2.039 1.00 0.00 N ATOM 1083 NH2 ARG A 72 19.647 2.322 -1.809 1.00 0.00 N ATOM 0 H ARG A 72 12.120 0.837 -3.103 1.00 0.00 H new ATOM 0 HA ARG A 72 14.512 -0.907 -3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.156 0.147 -0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.378 -1.109 -0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.816 1.759 -1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.270 1.142 -0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.848 -0.456 -1.143 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.353 0.068 -2.740 1.00 0.00 H new ATOM 0 HE ARG A 72 17.178 2.422 -1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.709 -0.741 -2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 72 20.335 -0.054 -2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 72 19.277 3.262 -1.669 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.650 2.181 -1.929 1.00 0.00 H new ATOM 1097 N VAL A 73 13.111 -2.958 -2.708 1.00 0.00 N ATOM 1098 CA VAL A 73 12.324 -4.204 -2.683 1.00 0.00 C ATOM 1099 C VAL A 73 13.062 -5.210 -1.786 1.00 0.00 C ATOM 1100 O VAL A 73 14.084 -5.781 -2.184 1.00 0.00 O ATOM 1101 CB VAL A 73 12.119 -4.810 -4.135 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.512 -6.237 -4.095 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.255 -3.878 -5.016 1.00 0.00 C ATOM 0 H VAL A 73 14.115 -3.124 -2.774 1.00 0.00 H new ATOM 0 HA VAL A 73 11.330 -3.989 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 73 13.110 -4.888 -4.583 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.391 -6.609 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.178 -6.900 -3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.541 -6.205 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.133 -4.321 -6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.276 -3.745 -4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.746 -2.909 -5.111 1.00 0.00 H new ATOM 1113 N GLU A 74 12.587 -5.355 -0.544 1.00 0.00 N ATOM 1114 CA GLU A 74 13.157 -6.287 0.445 1.00 0.00 C ATOM 1115 C GLU A 74 12.041 -7.181 1.008 1.00 0.00 C ATOM 1116 O GLU A 74 11.534 -6.946 2.106 1.00 0.00 O ATOM 1117 CB GLU A 74 13.848 -5.478 1.580 1.00 0.00 C ATOM 1118 CG GLU A 74 14.999 -4.564 1.109 1.00 0.00 C ATOM 1119 CD GLU A 74 15.591 -3.713 2.237 1.00 0.00 C ATOM 1120 OE1 GLU A 74 16.505 -4.193 2.944 1.00 0.00 O ATOM 1121 OE2 GLU A 74 15.135 -2.572 2.437 1.00 0.00 O ATOM 0 H GLU A 74 11.790 -4.826 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 74 13.904 -6.924 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.098 -4.866 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.236 -6.176 2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.787 -5.178 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.633 -3.907 0.320 1.00 0.00 H new ATOM 1128 N ALA A 75 11.649 -8.194 0.229 1.00 0.00 N ATOM 1129 CA ALA A 75 10.547 -9.096 0.586 1.00 0.00 C ATOM 1130 C ALA A 75 10.949 -10.034 1.739 1.00 0.00 C ATOM 1131 O ALA A 75 12.042 -10.611 1.699 1.00 0.00 O ATOM 1132 CB ALA A 75 10.137 -9.917 -0.640 1.00 0.00 C ATOM 0 H ALA A 75 12.086 -8.413 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 75 9.703 -8.493 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.319 -10.586 -0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.812 -9.246 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.988 -10.504 -0.986 1.00 0.00 H new ATOM 1138 N PRO A 76 10.094 -10.206 2.798 1.00 0.00 N ATOM 1139 CA PRO A 76 8.824 -9.468 3.014 1.00 0.00 C ATOM 1140 C PRO A 76 8.946 -8.321 4.048 1.00 0.00 C ATOM 1141 O PRO A 76 7.935 -7.789 4.509 1.00 0.00 O ATOM 1142 CB PRO A 76 7.939 -10.600 3.556 1.00 0.00 C ATOM 1143 CG PRO A 76 8.863 -11.407 4.423 1.00 0.00 C ATOM 1144 CD PRO A 76 10.276 -11.210 3.874 1.00 0.00 C ATOM 0 HA PRO A 76 8.458 -8.963 2.120 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.097 -10.209 4.127 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.523 -11.202 2.748 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.803 -11.079 5.461 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.586 -12.461 4.406 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.959 -10.853 4.644 1.00 0.00 H new ATOM 0 HD3 PRO A 76 10.690 -12.141 3.488 1.00 0.00 H new ATOM 1152 N THR A 77 10.193 -7.948 4.364 1.00 0.00 N ATOM 1153 CA THR A 77 10.534 -7.123 5.528 1.00 0.00 C ATOM 1154 C THR A 77 10.396 -5.611 5.288 1.00 0.00 C ATOM 1155 O THR A 77 10.298 -4.851 6.256 1.00 0.00 O ATOM 1156 CB THR A 77 11.990 -7.468 5.988 1.00 0.00 C ATOM 1157 OG1 THR A 77 12.873 -7.428 4.855 1.00 0.00 O ATOM 1158 CG2 THR A 77 12.060 -8.859 6.647 1.00 0.00 C ATOM 0 H THR A 77 11.005 -8.216 3.809 1.00 0.00 H new ATOM 0 HA THR A 77 9.811 -7.362 6.308 1.00 0.00 H new ATOM 0 HB THR A 77 12.295 -6.728 6.728 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.785 -7.642 5.143 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.085 -9.065 6.954 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.408 -8.881 7.521 1.00 0.00 H new ATOM 0 HG23 THR A 77 11.736 -9.616 5.933 1.00 0.00 H new ATOM 1166 N ARG A 78 10.369 -5.175 4.016 1.00 0.00 N ATOM 1167 CA ARG A 78 10.326 -3.740 3.684 1.00 0.00 C ATOM 1168 C ARG A 78 10.063 -3.537 2.183 1.00 0.00 C ATOM 1169 O ARG A 78 10.554 -4.295 1.344 1.00 0.00 O ATOM 1170 CB ARG A 78 11.656 -3.033 4.106 1.00 0.00 C ATOM 1171 CG ARG A 78 11.590 -1.491 4.157 1.00 0.00 C ATOM 1172 CD ARG A 78 12.835 -0.871 4.828 1.00 0.00 C ATOM 1173 NE ARG A 78 12.676 0.573 5.050 1.00 0.00 N ATOM 1174 CZ ARG A 78 13.604 1.384 5.579 1.00 0.00 C ATOM 1175 NH1 ARG A 78 14.796 0.916 5.963 1.00 0.00 N ATOM 1176 NH2 ARG A 78 13.338 2.675 5.692 1.00 0.00 N ATOM 0 H ARG A 78 10.376 -5.793 3.204 1.00 0.00 H new ATOM 0 HA ARG A 78 9.505 -3.288 4.242 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.949 -3.401 5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.442 -3.325 3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.494 -1.100 3.144 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.697 -1.186 4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.018 -1.367 5.781 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.710 -1.048 4.203 1.00 0.00 H new ATOM 0 HE ARG A 78 11.787 0.993 4.780 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.014 -0.075 5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.488 1.550 6.363 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.438 3.040 5.379 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.033 3.306 6.092 1.00 0.00 H new ATOM 1190 N LEU A 79 9.294 -2.500 1.865 1.00 0.00 N ATOM 1191 CA LEU A 79 8.991 -2.095 0.490 1.00 0.00 C ATOM 1192 C LEU A 79 9.080 -0.574 0.429 1.00 0.00 C ATOM 1193 O LEU A 79 8.721 0.115 1.386 1.00 0.00 O ATOM 1194 CB LEU A 79 7.574 -2.572 0.051 1.00 0.00 C ATOM 1195 CG LEU A 79 7.210 -2.342 -1.451 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.256 -2.989 -2.390 1.00 0.00 C ATOM 1197 CD2 LEU A 79 5.783 -2.861 -1.757 1.00 0.00 C ATOM 0 H LEU A 79 8.854 -1.904 2.567 1.00 0.00 H new ATOM 0 HA LEU A 79 9.705 -2.555 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.488 -3.637 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.833 -2.061 0.666 1.00 0.00 H new ATOM 0 HG LEU A 79 7.225 -1.268 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.973 -2.811 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.236 -2.550 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.297 -4.062 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.551 -2.690 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.730 -3.928 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.062 -2.330 -1.136 1.00 0.00 H new ATOM 1209 N SER A 80 9.586 -0.054 -0.684 1.00 0.00 N ATOM 1210 CA SER A 80 9.688 1.388 -0.918 1.00 0.00 C ATOM 1211 C SER A 80 9.335 1.663 -2.372 1.00 0.00 C ATOM 1212 O SER A 80 9.747 0.914 -3.268 1.00 0.00 O ATOM 1213 CB SER A 80 11.110 1.887 -0.599 1.00 0.00 C ATOM 1214 OG SER A 80 11.554 1.407 0.647 1.00 0.00 O ATOM 0 H SER A 80 9.939 -0.621 -1.455 1.00 0.00 H new ATOM 0 HA SER A 80 8.998 1.921 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.796 1.562 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.123 2.977 -0.597 1.00 0.00 H new ATOM 0 HG SER A 80 11.275 2.025 1.354 1.00 0.00 H new ATOM 1220 N PHE A 81 8.586 2.737 -2.597 1.00 0.00 N ATOM 1221 CA PHE A 81 8.108 3.126 -3.916 1.00 0.00 C ATOM 1222 C PHE A 81 7.750 4.610 -3.916 1.00 0.00 C ATOM 1223 O PHE A 81 7.361 5.163 -2.893 1.00 0.00 O ATOM 1224 CB PHE A 81 6.899 2.254 -4.357 1.00 0.00 C ATOM 1225 CG PHE A 81 5.713 2.193 -3.380 1.00 0.00 C ATOM 1226 CD1 PHE A 81 4.670 3.124 -3.448 1.00 0.00 C ATOM 1227 CD2 PHE A 81 5.631 1.190 -2.412 1.00 0.00 C ATOM 1228 CE1 PHE A 81 3.588 3.049 -2.590 1.00 0.00 C ATOM 1229 CE2 PHE A 81 4.551 1.119 -1.546 1.00 0.00 C ATOM 1230 CZ PHE A 81 3.530 2.046 -1.636 1.00 0.00 C ATOM 0 H PHE A 81 8.290 3.371 -1.855 1.00 0.00 H new ATOM 0 HA PHE A 81 8.905 2.958 -4.641 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.536 2.630 -5.313 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.254 1.238 -4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.711 3.914 -4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.422 0.458 -2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.789 3.772 -2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.507 0.339 -0.800 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.687 1.989 -0.963 1.00 0.00 H new ATOM 1240 N VAL A 82 7.864 5.226 -5.084 1.00 0.00 N ATOM 1241 CA VAL A 82 7.530 6.633 -5.299 1.00 0.00 C ATOM 1242 C VAL A 82 6.238 6.667 -6.115 1.00 0.00 C ATOM 1243 O VAL A 82 6.044 5.817 -6.977 1.00 0.00 O ATOM 1244 CB VAL A 82 8.673 7.395 -6.082 1.00 0.00 C ATOM 1245 CG1 VAL A 82 8.486 8.924 -6.036 1.00 0.00 C ATOM 1246 CG2 VAL A 82 10.054 7.007 -5.547 1.00 0.00 C ATOM 0 H VAL A 82 8.197 4.756 -5.926 1.00 0.00 H new ATOM 0 HA VAL A 82 7.414 7.133 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 82 8.604 7.088 -7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.294 9.406 -6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.530 9.187 -6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.501 9.261 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.823 7.544 -6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.121 7.266 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.203 5.934 -5.668 1.00 0.00 H new ATOM 1256 N MET A 83 5.366 7.634 -5.826 1.00 0.00 N ATOM 1257 CA MET A 83 4.147 7.874 -6.605 1.00 0.00 C ATOM 1258 C MET A 83 4.514 8.593 -7.917 1.00 0.00 C ATOM 1259 O MET A 83 5.628 9.116 -8.057 1.00 0.00 O ATOM 1260 CB MET A 83 3.158 8.739 -5.779 1.00 0.00 C ATOM 1261 CG MET A 83 2.666 8.107 -4.471 1.00 0.00 C ATOM 1262 SD MET A 83 1.528 9.205 -3.583 1.00 0.00 S ATOM 1263 CE MET A 83 1.239 8.326 -2.047 1.00 0.00 C ATOM 0 H MET A 83 5.484 8.276 -5.042 1.00 0.00 H new ATOM 0 HA MET A 83 3.669 6.923 -6.839 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.640 9.688 -5.545 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.292 8.965 -6.402 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.166 7.163 -4.688 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.520 7.876 -3.834 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.439 8.817 -1.492 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.951 7.297 -2.265 1.00 0.00 H new ATOM 0 HE3 MET A 83 2.150 8.329 -1.449 1.00 0.00 H new ATOM 1273 N ASP A 84 3.560 8.634 -8.851 1.00 0.00 N ATOM 1274 CA ASP A 84 3.697 9.367 -10.135 1.00 0.00 C ATOM 1275 C ASP A 84 3.903 10.879 -9.903 1.00 0.00 C ATOM 1276 O ASP A 84 4.531 11.573 -10.712 1.00 0.00 O ATOM 1277 CB ASP A 84 2.440 9.129 -10.994 1.00 0.00 C ATOM 1278 CG ASP A 84 2.524 9.726 -12.412 1.00 0.00 C ATOM 1279 OD1 ASP A 84 3.217 9.135 -13.275 1.00 0.00 O ATOM 1280 OD2 ASP A 84 1.898 10.777 -12.675 1.00 0.00 O ATOM 0 H ASP A 84 2.662 8.161 -8.747 1.00 0.00 H new ATOM 0 HA ASP A 84 4.578 8.990 -10.655 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.265 8.056 -11.073 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.577 9.556 -10.482 1.00 0.00 H new ATOM 1285 N ASP A 85 3.387 11.358 -8.763 1.00 0.00 N ATOM 1286 CA ASP A 85 3.459 12.768 -8.344 1.00 0.00 C ATOM 1287 C ASP A 85 4.835 13.110 -7.731 1.00 0.00 C ATOM 1288 O ASP A 85 5.065 14.257 -7.344 1.00 0.00 O ATOM 1289 CB ASP A 85 2.348 13.057 -7.298 1.00 0.00 C ATOM 1290 CG ASP A 85 0.941 12.670 -7.782 1.00 0.00 C ATOM 1291 OD1 ASP A 85 0.635 11.456 -7.814 1.00 0.00 O ATOM 1292 OD2 ASP A 85 0.132 13.567 -8.108 1.00 0.00 O ATOM 0 H ASP A 85 2.898 10.766 -8.092 1.00 0.00 H new ATOM 0 HA ASP A 85 3.316 13.388 -9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.572 12.512 -6.381 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.360 14.118 -7.049 1.00 0.00 H new ATOM 1297 N GLY A 86 5.728 12.103 -7.626 1.00 0.00 N ATOM 1298 CA GLY A 86 7.047 12.272 -6.994 1.00 0.00 C ATOM 1299 C GLY A 86 7.007 12.099 -5.477 1.00 0.00 C ATOM 1300 O GLY A 86 7.989 12.399 -4.791 1.00 0.00 O ATOM 0 H GLY A 86 5.554 11.160 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.743 11.548 -7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.433 13.263 -7.231 1.00 0.00 H new ATOM 1304 N ARG A 87 5.851 11.649 -4.945 1.00 0.00 N ATOM 1305 CA ARG A 87 5.669 11.436 -3.498 1.00 0.00 C ATOM 1306 C ARG A 87 6.337 10.128 -3.036 1.00 0.00 C ATOM 1307 O ARG A 87 5.861 9.041 -3.367 1.00 0.00 O ATOM 1308 CB ARG A 87 4.165 11.418 -3.127 1.00 0.00 C ATOM 1309 CG ARG A 87 3.344 12.636 -3.592 1.00 0.00 C ATOM 1310 CD ARG A 87 3.970 14.009 -3.242 1.00 0.00 C ATOM 1311 NE ARG A 87 4.716 14.584 -4.371 1.00 0.00 N ATOM 1312 CZ ARG A 87 5.774 15.402 -4.276 1.00 0.00 C ATOM 1313 NH1 ARG A 87 6.257 15.782 -3.095 1.00 0.00 N ATOM 1314 NH2 ARG A 87 6.331 15.863 -5.383 1.00 0.00 N ATOM 0 H ARG A 87 5.026 11.426 -5.502 1.00 0.00 H new ATOM 0 HA ARG A 87 6.149 12.269 -2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.717 10.519 -3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.079 11.338 -2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.212 12.577 -4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.351 12.580 -3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.182 14.699 -2.940 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.638 13.895 -2.388 1.00 0.00 H new ATOM 0 HE ARG A 87 4.401 14.339 -5.310 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.821 15.450 -2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.063 16.405 -3.050 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.955 15.595 -6.293 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.137 16.486 -5.327 1.00 0.00 H new ATOM 1328 N GLU A 88 7.407 10.250 -2.241 1.00 0.00 N ATOM 1329 CA GLU A 88 8.203 9.103 -1.780 1.00 0.00 C ATOM 1330 C GLU A 88 7.474 8.357 -0.637 1.00 0.00 C ATOM 1331 O GLU A 88 7.063 8.979 0.346 1.00 0.00 O ATOM 1332 CB GLU A 88 9.580 9.613 -1.295 1.00 0.00 C ATOM 1333 CG GLU A 88 10.550 8.517 -0.828 1.00 0.00 C ATOM 1334 CD GLU A 88 10.931 7.533 -1.943 1.00 0.00 C ATOM 1335 OE1 GLU A 88 11.760 7.908 -2.801 1.00 0.00 O ATOM 1336 OE2 GLU A 88 10.412 6.390 -1.969 1.00 0.00 O ATOM 0 H GLU A 88 7.747 11.148 -1.898 1.00 0.00 H new ATOM 0 HA GLU A 88 8.339 8.403 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.049 10.172 -2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.423 10.312 -0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.455 8.983 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.096 7.965 -0.005 1.00 0.00 H new ATOM 1343 N VAL A 89 7.353 7.022 -0.769 1.00 0.00 N ATOM 1344 CA VAL A 89 6.634 6.151 0.195 1.00 0.00 C ATOM 1345 C VAL A 89 7.556 4.988 0.642 1.00 0.00 C ATOM 1346 O VAL A 89 8.224 4.369 -0.184 1.00 0.00 O ATOM 1347 CB VAL A 89 5.294 5.562 -0.419 1.00 0.00 C ATOM 1348 CG1 VAL A 89 4.459 4.821 0.656 1.00 0.00 C ATOM 1349 CG2 VAL A 89 4.461 6.670 -1.106 1.00 0.00 C ATOM 0 H VAL A 89 7.754 6.508 -1.554 1.00 0.00 H new ATOM 0 HA VAL A 89 6.364 6.765 1.054 1.00 0.00 H new ATOM 0 HB VAL A 89 5.573 4.833 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.548 4.430 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.043 3.997 1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.198 5.514 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.549 6.237 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.202 7.436 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.045 7.118 -1.910 1.00 0.00 H new ATOM 1359 N ASP A 90 7.600 4.724 1.957 1.00 0.00 N ATOM 1360 CA ASP A 90 8.366 3.616 2.548 1.00 0.00 C ATOM 1361 C ASP A 90 7.468 2.849 3.524 1.00 0.00 C ATOM 1362 O ASP A 90 7.110 3.373 4.584 1.00 0.00 O ATOM 1363 CB ASP A 90 9.608 4.153 3.295 1.00 0.00 C ATOM 1364 CG ASP A 90 10.449 3.040 3.957 1.00 0.00 C ATOM 1365 OD1 ASP A 90 11.247 2.398 3.255 1.00 0.00 O ATOM 1366 OD2 ASP A 90 10.320 2.809 5.179 1.00 0.00 O ATOM 0 H ASP A 90 7.098 5.281 2.648 1.00 0.00 H new ATOM 0 HA ASP A 90 8.702 2.951 1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.235 4.705 2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.286 4.860 4.060 1.00 0.00 H new ATOM 1371 N VAL A 91 7.091 1.626 3.140 1.00 0.00 N ATOM 1372 CA VAL A 91 6.295 0.723 3.975 1.00 0.00 C ATOM 1373 C VAL A 91 7.221 -0.365 4.543 1.00 0.00 C ATOM 1374 O VAL A 91 7.623 -1.272 3.821 1.00 0.00 O ATOM 1375 CB VAL A 91 5.135 0.058 3.140 1.00 0.00 C ATOM 1376 CG1 VAL A 91 4.135 -0.677 4.064 1.00 0.00 C ATOM 1377 CG2 VAL A 91 4.430 1.099 2.245 1.00 0.00 C ATOM 0 H VAL A 91 7.333 1.231 2.231 1.00 0.00 H new ATOM 0 HA VAL A 91 5.840 1.293 4.785 1.00 0.00 H new ATOM 0 HB VAL A 91 5.577 -0.690 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.345 -1.126 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.657 -1.457 4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.697 0.034 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.634 0.614 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.005 1.886 2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.152 1.534 1.554 1.00 0.00 H new ATOM 1387 N GLN A 92 7.548 -0.269 5.830 1.00 0.00 N ATOM 1388 CA GLN A 92 8.439 -1.219 6.506 1.00 0.00 C ATOM 1389 C GLN A 92 7.585 -2.229 7.289 1.00 0.00 C ATOM 1390 O GLN A 92 6.656 -1.847 8.002 1.00 0.00 O ATOM 1391 CB GLN A 92 9.396 -0.449 7.452 1.00 0.00 C ATOM 1392 CG GLN A 92 10.377 -1.339 8.255 1.00 0.00 C ATOM 1393 CD GLN A 92 11.289 -0.558 9.215 1.00 0.00 C ATOM 1394 OE1 GLN A 92 11.662 -1.062 10.275 1.00 0.00 O ATOM 1395 NE2 GLN A 92 11.677 0.656 8.849 1.00 0.00 N ATOM 0 H GLN A 92 7.202 0.472 6.439 1.00 0.00 H new ATOM 0 HA GLN A 92 9.043 -1.758 5.776 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.974 0.261 6.861 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.799 0.133 8.154 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.804 -2.068 8.828 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.998 -1.899 7.556 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.353 1.050 7.966 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.299 1.196 9.451 1.00 0.00 H new ATOM 1404 N PHE A 93 7.889 -3.517 7.120 1.00 0.00 N ATOM 1405 CA PHE A 93 7.182 -4.611 7.795 1.00 0.00 C ATOM 1406 C PHE A 93 8.102 -5.168 8.900 1.00 0.00 C ATOM 1407 O PHE A 93 8.959 -6.021 8.651 1.00 0.00 O ATOM 1408 CB PHE A 93 6.783 -5.709 6.769 1.00 0.00 C ATOM 1409 CG PHE A 93 5.961 -5.208 5.568 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.589 -4.701 4.426 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.566 -5.246 5.584 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.851 -4.250 3.345 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.829 -4.793 4.500 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.471 -4.295 3.383 1.00 0.00 C ATOM 0 H PHE A 93 8.639 -3.835 6.506 1.00 0.00 H new ATOM 0 HA PHE A 93 6.259 -4.250 8.248 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.691 -6.184 6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.210 -6.478 7.287 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.668 -4.661 4.387 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.054 -5.633 6.452 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.355 -3.863 2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.750 -4.830 4.529 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.895 -3.941 2.541 1.00 0.00 H new ATOM 1424 N ALA A 94 7.957 -4.601 10.099 1.00 0.00 N ATOM 1425 CA ALA A 94 8.747 -4.970 11.279 1.00 0.00 C ATOM 1426 C ALA A 94 8.026 -6.076 12.077 1.00 0.00 C ATOM 1427 O ALA A 94 7.205 -5.793 12.951 1.00 0.00 O ATOM 1428 CB ALA A 94 9.003 -3.723 12.148 1.00 0.00 C ATOM 0 H ALA A 94 7.278 -3.862 10.282 1.00 0.00 H new ATOM 0 HA ALA A 94 9.712 -5.365 10.961 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.590 -4.003 13.023 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.550 -2.980 11.567 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.050 -3.302 12.470 1.00 0.00 H new ATOM 1434 N SER A 95 8.325 -7.337 11.739 1.00 0.00 N ATOM 1435 CA SER A 95 7.701 -8.513 12.378 1.00 0.00 C ATOM 1436 C SER A 95 8.125 -8.639 13.860 1.00 0.00 C ATOM 1437 O SER A 95 9.296 -8.439 14.198 1.00 0.00 O ATOM 1438 CB SER A 95 8.064 -9.786 11.592 1.00 0.00 C ATOM 1439 OG SER A 95 7.464 -10.936 12.154 1.00 0.00 O ATOM 0 H SER A 95 9.005 -7.575 11.017 1.00 0.00 H new ATOM 0 HA SER A 95 6.619 -8.383 12.361 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.744 -9.678 10.556 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.147 -9.910 11.579 1.00 0.00 H new ATOM 0 HG SER A 95 7.714 -11.725 11.629 1.00 0.00 H new ATOM 1445 N GLU A 96 7.163 -9.031 14.718 1.00 0.00 N ATOM 1446 CA GLU A 96 7.288 -8.984 16.193 1.00 0.00 C ATOM 1447 C GLU A 96 6.577 -10.200 16.833 1.00 0.00 C ATOM 1448 O GLU A 96 5.657 -10.742 16.222 1.00 0.00 O ATOM 1449 CB GLU A 96 6.683 -7.657 16.723 1.00 0.00 C ATOM 1450 CG GLU A 96 5.242 -7.375 16.237 1.00 0.00 C ATOM 1451 CD GLU A 96 4.653 -6.092 16.833 1.00 0.00 C ATOM 1452 OE1 GLU A 96 5.174 -5.003 16.538 1.00 0.00 O ATOM 1453 OE2 GLU A 96 3.684 -6.160 17.615 1.00 0.00 O ATOM 0 H GLU A 96 6.263 -9.395 14.404 1.00 0.00 H new ATOM 0 HA GLU A 96 8.343 -9.026 16.465 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.689 -7.679 17.813 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.325 -6.831 16.417 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.239 -7.300 15.150 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.604 -8.218 16.500 1.00 0.00 H new ATOM 1460 N PRO A 97 7.007 -10.671 18.053 1.00 0.00 N ATOM 1461 CA PRO A 97 6.287 -11.730 18.813 1.00 0.00 C ATOM 1462 C PRO A 97 4.800 -11.358 19.074 1.00 0.00 C ATOM 1463 O PRO A 97 4.474 -10.657 20.043 1.00 0.00 O ATOM 1464 CB PRO A 97 7.102 -11.839 20.134 1.00 0.00 C ATOM 1465 CG PRO A 97 8.476 -11.346 19.775 1.00 0.00 C ATOM 1466 CD PRO A 97 8.258 -10.255 18.750 1.00 0.00 C ATOM 0 HA PRO A 97 6.232 -12.674 18.270 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.658 -11.234 20.925 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.132 -12.866 20.497 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.997 -10.962 20.652 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.088 -12.151 19.368 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.148 -9.278 19.222 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.097 -10.182 18.058 1.00 0.00 H new ATOM 1474 N GLY A 98 3.916 -11.800 18.161 1.00 0.00 N ATOM 1475 CA GLY A 98 2.480 -11.496 18.220 1.00 0.00 C ATOM 1476 C GLY A 98 1.872 -11.243 16.842 1.00 0.00 C ATOM 1477 O GLY A 98 0.650 -11.342 16.677 1.00 0.00 O ATOM 0 H GLY A 98 4.180 -12.378 17.363 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.957 -12.325 18.696 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.324 -10.618 18.848 1.00 0.00 H new ATOM 1481 N GLY A 99 2.723 -10.887 15.863 1.00 0.00 N ATOM 1482 CA GLY A 99 2.294 -10.666 14.480 1.00 0.00 C ATOM 1483 C GLY A 99 3.310 -9.833 13.692 1.00 0.00 C ATOM 1484 O GLY A 99 4.501 -10.162 13.671 1.00 0.00 O ATOM 0 H GLY A 99 3.722 -10.746 16.012 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.152 -11.627 13.986 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.329 -10.160 14.476 1.00 0.00 H new ATOM 1488 N THR A 100 2.842 -8.746 13.050 1.00 0.00 N ATOM 1489 CA THR A 100 3.674 -7.894 12.183 1.00 0.00 C ATOM 1490 C THR A 100 3.279 -6.415 12.363 1.00 0.00 C ATOM 1491 O THR A 100 2.090 -6.081 12.395 1.00 0.00 O ATOM 1492 CB THR A 100 3.518 -8.300 10.671 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.822 -9.692 10.515 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.431 -7.474 9.738 1.00 0.00 C ATOM 0 H THR A 100 1.873 -8.434 13.119 1.00 0.00 H new ATOM 0 HA THR A 100 4.716 -8.033 12.472 1.00 0.00 H new ATOM 0 HB THR A 100 2.486 -8.096 10.387 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.016 -10.224 10.683 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.283 -7.795 8.707 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.182 -6.417 9.828 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.473 -7.627 10.020 1.00 0.00 H new ATOM 1502 N TRP A 101 4.291 -5.547 12.495 1.00 0.00 N ATOM 1503 CA TRP A 101 4.114 -4.087 12.527 1.00 0.00 C ATOM 1504 C TRP A 101 4.319 -3.535 11.109 1.00 0.00 C ATOM 1505 O TRP A 101 5.445 -3.448 10.630 1.00 0.00 O ATOM 1506 CB TRP A 101 5.125 -3.457 13.533 1.00 0.00 C ATOM 1507 CG TRP A 101 5.131 -1.941 13.642 1.00 0.00 C ATOM 1508 CD1 TRP A 101 4.114 -1.071 13.360 1.00 0.00 C ATOM 1509 CD2 TRP A 101 6.224 -1.123 14.112 1.00 0.00 C ATOM 1510 NE1 TRP A 101 4.522 0.215 13.592 1.00 0.00 N ATOM 1511 CE2 TRP A 101 5.801 0.212 14.064 1.00 0.00 C ATOM 1512 CE3 TRP A 101 7.521 -1.395 14.569 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 6.618 1.275 14.448 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 8.333 -0.343 14.953 1.00 0.00 C ATOM 1515 CH2 TRP A 101 7.880 0.980 14.893 1.00 0.00 C ATOM 0 H TRP A 101 5.264 -5.840 12.583 1.00 0.00 H new ATOM 0 HA TRP A 101 3.108 -3.832 12.861 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.920 -3.868 14.522 1.00 0.00 H new ATOM 0 HB3 TRP A 101 6.128 -3.781 13.254 1.00 0.00 H new ATOM 0 HD1 TRP A 101 3.134 -1.356 13.007 1.00 0.00 H new ATOM 0 HE1 TRP A 101 3.955 1.049 13.436 1.00 0.00 H new ATOM 0 HE3 TRP A 101 7.881 -2.412 14.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 6.268 2.295 14.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 9.334 -0.546 15.305 1.00 0.00 H new ATOM 0 HH2 TRP A 101 8.535 1.781 15.202 1.00 0.00 H new ATOM 1526 N VAL A 102 3.214 -3.211 10.432 1.00 0.00 N ATOM 1527 CA VAL A 102 3.245 -2.530 9.130 1.00 0.00 C ATOM 1528 C VAL A 102 3.270 -1.023 9.399 1.00 0.00 C ATOM 1529 O VAL A 102 2.400 -0.516 10.097 1.00 0.00 O ATOM 1530 CB VAL A 102 1.982 -2.895 8.260 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.019 -2.207 6.870 1.00 0.00 C ATOM 1532 CG2 VAL A 102 1.847 -4.423 8.129 1.00 0.00 C ATOM 0 H VAL A 102 2.272 -3.412 10.769 1.00 0.00 H new ATOM 0 HA VAL A 102 4.126 -2.847 8.572 1.00 0.00 H new ATOM 0 HB VAL A 102 1.099 -2.515 8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.131 -2.485 6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.043 -1.125 7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.910 -2.527 6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.971 -4.660 7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.738 -4.827 7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.736 -4.865 9.119 1.00 0.00 H new ATOM 1542 N GLN A 103 4.276 -0.325 8.869 1.00 0.00 N ATOM 1543 CA GLN A 103 4.439 1.119 9.081 1.00 0.00 C ATOM 1544 C GLN A 103 4.773 1.796 7.746 1.00 0.00 C ATOM 1545 O GLN A 103 5.880 1.668 7.225 1.00 0.00 O ATOM 1546 CB GLN A 103 5.522 1.392 10.180 1.00 0.00 C ATOM 1547 CG GLN A 103 6.823 0.582 10.033 1.00 0.00 C ATOM 1548 CD GLN A 103 7.904 0.900 11.070 1.00 0.00 C ATOM 1549 OE1 GLN A 103 8.677 0.019 11.452 1.00 0.00 O ATOM 1550 NE2 GLN A 103 8.002 2.157 11.506 1.00 0.00 N ATOM 0 H GLN A 103 5.000 -0.741 8.282 1.00 0.00 H new ATOM 0 HA GLN A 103 3.507 1.549 9.447 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.770 2.453 10.167 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.088 1.178 11.157 1.00 0.00 H new ATOM 0 HG2 GLN A 103 6.582 -0.479 10.096 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.232 0.758 9.038 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.348 2.865 11.172 1.00 0.00 H new ATOM 0 HE22 GLN A 103 8.731 2.410 12.173 1.00 0.00 H new ATOM 1559 N GLU A 104 3.780 2.499 7.186 1.00 0.00 N ATOM 1560 CA GLU A 104 3.933 3.256 5.937 1.00 0.00 C ATOM 1561 C GLU A 104 4.315 4.703 6.278 1.00 0.00 C ATOM 1562 O GLU A 104 3.902 5.242 7.302 1.00 0.00 O ATOM 1563 CB GLU A 104 2.618 3.216 5.105 1.00 0.00 C ATOM 1564 CG GLU A 104 2.644 4.061 3.811 1.00 0.00 C ATOM 1565 CD GLU A 104 1.335 4.012 3.001 1.00 0.00 C ATOM 1566 OE1 GLU A 104 0.436 4.838 3.268 1.00 0.00 O ATOM 1567 OE2 GLU A 104 1.215 3.156 2.094 1.00 0.00 O ATOM 0 H GLU A 104 2.845 2.559 7.588 1.00 0.00 H new ATOM 0 HA GLU A 104 4.720 2.805 5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.403 2.180 4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.797 3.563 5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.859 5.097 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.462 3.714 3.180 1.00 0.00 H new ATOM 1574 N THR A 105 5.146 5.303 5.438 1.00 0.00 N ATOM 1575 CA THR A 105 5.465 6.729 5.489 1.00 0.00 C ATOM 1576 C THR A 105 5.368 7.260 4.064 1.00 0.00 C ATOM 1577 O THR A 105 6.127 6.843 3.209 1.00 0.00 O ATOM 1578 CB THR A 105 6.885 6.983 6.087 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.953 6.424 7.412 1.00 0.00 O ATOM 1580 CG2 THR A 105 7.239 8.488 6.136 1.00 0.00 C ATOM 0 H THR A 105 5.627 4.807 4.688 1.00 0.00 H new ATOM 0 HA THR A 105 4.765 7.247 6.144 1.00 0.00 H new ATOM 0 HB THR A 105 7.611 6.499 5.434 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.844 6.581 7.788 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.236 8.614 6.559 1.00 0.00 H new ATOM 0 HG22 THR A 105 7.219 8.900 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.512 9.013 6.756 1.00 0.00 H new ATOM 1588 N PHE A 106 4.434 8.169 3.822 1.00 0.00 N ATOM 1589 CA PHE A 106 4.114 8.662 2.477 1.00 0.00 C ATOM 1590 C PHE A 106 4.339 10.172 2.465 1.00 0.00 C ATOM 1591 O PHE A 106 3.973 10.856 3.428 1.00 0.00 O ATOM 1592 CB PHE A 106 2.649 8.290 2.079 1.00 0.00 C ATOM 1593 CG PHE A 106 1.572 8.741 3.075 1.00 0.00 C ATOM 1594 CD1 PHE A 106 1.298 7.985 4.216 1.00 0.00 C ATOM 1595 CD2 PHE A 106 0.839 9.912 2.871 1.00 0.00 C ATOM 1596 CE1 PHE A 106 0.331 8.388 5.118 1.00 0.00 C ATOM 1597 CE2 PHE A 106 -0.126 10.312 3.775 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.381 9.548 4.897 1.00 0.00 C ATOM 0 H PHE A 106 3.868 8.593 4.557 1.00 0.00 H new ATOM 0 HA PHE A 106 4.761 8.192 1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.430 8.730 1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.584 7.208 1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.849 7.074 4.396 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.029 10.513 1.994 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.133 7.793 5.997 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.681 11.222 3.604 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.138 9.859 5.601 1.00 0.00 H new ATOM 1608 N ASP A 107 4.977 10.676 1.396 1.00 0.00 N ATOM 1609 CA ASP A 107 5.180 12.114 1.207 1.00 0.00 C ATOM 1610 C ASP A 107 3.802 12.733 0.929 1.00 0.00 C ATOM 1611 O ASP A 107 3.239 12.545 -0.156 1.00 0.00 O ATOM 1612 CB ASP A 107 6.175 12.376 0.053 1.00 0.00 C ATOM 1613 CG ASP A 107 6.607 13.849 -0.080 1.00 0.00 C ATOM 1614 OD1 ASP A 107 5.786 14.698 -0.472 1.00 0.00 O ATOM 1615 OD2 ASP A 107 7.780 14.168 0.197 1.00 0.00 O ATOM 0 H ASP A 107 5.362 10.101 0.647 1.00 0.00 H new ATOM 0 HA ASP A 107 5.617 12.570 2.096 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.062 11.760 0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.721 12.055 -0.884 1.00 0.00 H new ATOM 1620 N ALA A 108 3.251 13.425 1.929 1.00 0.00 N ATOM 1621 CA ALA A 108 1.817 13.711 1.980 1.00 0.00 C ATOM 1622 C ALA A 108 1.489 15.082 1.391 1.00 0.00 C ATOM 1623 O ALA A 108 0.957 15.962 2.075 1.00 0.00 O ATOM 1624 CB ALA A 108 1.347 13.594 3.435 1.00 0.00 C ATOM 0 H ALA A 108 3.780 13.799 2.717 1.00 0.00 H new ATOM 0 HA ALA A 108 1.284 12.985 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.279 13.804 3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.537 12.584 3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.890 14.310 4.052 1.00 0.00 H new ATOM 1630 N GLU A 109 1.797 15.253 0.096 1.00 0.00 N ATOM 1631 CA GLU A 109 1.239 16.343 -0.718 1.00 0.00 C ATOM 1632 C GLU A 109 0.900 15.856 -2.139 1.00 0.00 C ATOM 1633 O GLU A 109 1.569 16.200 -3.117 1.00 0.00 O ATOM 1634 CB GLU A 109 2.190 17.563 -0.698 1.00 0.00 C ATOM 1635 CG GLU A 109 3.667 17.224 -1.009 1.00 0.00 C ATOM 1636 CD GLU A 109 4.638 18.394 -0.795 1.00 0.00 C ATOM 1637 OE1 GLU A 109 4.699 19.289 -1.667 1.00 0.00 O ATOM 1638 OE2 GLU A 109 5.346 18.429 0.240 1.00 0.00 O ATOM 0 H GLU A 109 2.436 14.643 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 109 0.295 16.671 -0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 109 1.837 18.296 -1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 109 2.136 18.035 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 109 3.977 16.389 -0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.741 16.889 -2.044 1.00 0.00 H new ATOM 1645 N THR A 110 -0.149 15.026 -2.249 1.00 0.00 N ATOM 1646 CA THR A 110 -0.653 14.540 -3.555 1.00 0.00 C ATOM 1647 C THR A 110 -2.164 14.734 -3.699 1.00 0.00 C ATOM 1648 O THR A 110 -2.694 14.793 -4.815 1.00 0.00 O ATOM 1649 CB THR A 110 -0.263 13.041 -3.794 1.00 0.00 C ATOM 1650 OG1 THR A 110 -0.744 12.587 -5.064 1.00 0.00 O ATOM 1651 CG2 THR A 110 -0.773 12.107 -2.680 1.00 0.00 C ATOM 0 H THR A 110 -0.671 14.672 -1.447 1.00 0.00 H new ATOM 0 HA THR A 110 -0.171 15.146 -4.322 1.00 0.00 H new ATOM 0 HB THR A 110 0.826 13.002 -3.781 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.489 11.650 -5.194 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.473 11.082 -2.899 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.347 12.414 -1.725 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.860 12.164 -2.627 1.00 0.00 H new ATOM 1659 N SER A 111 -2.847 14.863 -2.570 1.00 0.00 N ATOM 1660 CA SER A 111 -4.320 14.757 -2.530 1.00 0.00 C ATOM 1661 C SER A 111 -4.923 16.133 -2.214 1.00 0.00 C ATOM 1662 O SER A 111 -5.565 16.767 -3.051 1.00 0.00 O ATOM 1663 CB SER A 111 -4.740 13.712 -1.475 1.00 0.00 C ATOM 1664 OG SER A 111 -4.078 12.482 -1.685 1.00 0.00 O ATOM 0 H SER A 111 -2.415 15.041 -1.663 1.00 0.00 H new ATOM 0 HA SER A 111 -4.694 14.430 -3.500 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.511 14.086 -0.477 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.818 13.560 -1.519 1.00 0.00 H new ATOM 0 HG SER A 111 -4.360 11.838 -1.002 1.00 0.00 H new ATOM 1670 N HIS A 112 -4.571 16.586 -1.009 1.00 0.00 N ATOM 1671 CA HIS A 112 -5.174 17.728 -0.267 1.00 0.00 C ATOM 1672 C HIS A 112 -4.525 17.772 1.135 1.00 0.00 C ATOM 1673 O HIS A 112 -3.525 17.097 1.351 1.00 0.00 O ATOM 1674 CB HIS A 112 -6.735 17.650 -0.164 1.00 0.00 C ATOM 1675 CG HIS A 112 -7.471 18.310 -1.313 1.00 0.00 C ATOM 1676 ND1 HIS A 112 -7.303 19.639 -1.642 1.00 0.00 N ATOM 1677 CD2 HIS A 112 -8.356 17.821 -2.211 1.00 0.00 C ATOM 1678 CE1 HIS A 112 -8.051 19.934 -2.682 1.00 0.00 C ATOM 1679 NE2 HIS A 112 -8.699 18.851 -3.048 1.00 0.00 N ATOM 0 H HIS A 112 -3.814 16.149 -0.482 1.00 0.00 H new ATOM 0 HA HIS A 112 -4.974 18.646 -0.820 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -7.032 16.602 -0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -7.049 18.117 0.769 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -8.724 16.807 -2.260 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.121 20.902 -3.155 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -9.352 18.787 -3.829 1.00 0.00 H new ATOM 1688 N THR A 113 -5.088 18.584 2.061 1.00 0.00 N ATOM 1689 CA THR A 113 -4.591 18.742 3.455 1.00 0.00 C ATOM 1690 C THR A 113 -4.205 17.391 4.164 1.00 0.00 C ATOM 1691 O THR A 113 -4.865 16.359 3.951 1.00 0.00 O ATOM 1692 CB THR A 113 -5.656 19.517 4.309 1.00 0.00 C ATOM 1693 OG1 THR A 113 -6.973 19.054 3.971 1.00 0.00 O ATOM 1694 CG2 THR A 113 -5.563 21.048 4.116 1.00 0.00 C ATOM 0 H THR A 113 -5.909 19.155 1.862 1.00 0.00 H new ATOM 0 HA THR A 113 -3.664 19.311 3.385 1.00 0.00 H new ATOM 0 HB THR A 113 -5.449 19.314 5.360 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.637 19.537 4.506 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.320 21.538 4.728 1.00 0.00 H new ATOM 0 HG22 THR A 113 -4.574 21.393 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.729 21.293 3.067 1.00 0.00 H new ATOM 1702 N PRO A 114 -3.114 17.405 5.018 1.00 0.00 N ATOM 1703 CA PRO A 114 -2.532 16.190 5.657 1.00 0.00 C ATOM 1704 C PRO A 114 -3.554 15.296 6.378 1.00 0.00 C ATOM 1705 O PRO A 114 -3.525 14.079 6.202 1.00 0.00 O ATOM 1706 CB PRO A 114 -1.484 16.766 6.663 1.00 0.00 C ATOM 1707 CG PRO A 114 -1.769 18.236 6.745 1.00 0.00 C ATOM 1708 CD PRO A 114 -2.332 18.611 5.402 1.00 0.00 C ATOM 0 HA PRO A 114 -2.108 15.527 4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.578 16.293 7.641 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -0.467 16.583 6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -2.479 18.454 7.543 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -0.862 18.800 6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.962 19.498 5.462 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -1.544 18.828 4.680 1.00 0.00 H new ATOM 1716 N ALA A 115 -4.441 15.919 7.193 1.00 0.00 N ATOM 1717 CA ALA A 115 -5.492 15.206 7.961 1.00 0.00 C ATOM 1718 C ALA A 115 -6.340 14.281 7.073 1.00 0.00 C ATOM 1719 O ALA A 115 -6.643 13.137 7.447 1.00 0.00 O ATOM 1720 CB ALA A 115 -6.397 16.219 8.674 1.00 0.00 C ATOM 0 H ALA A 115 -4.448 16.929 7.336 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.987 14.578 8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.166 15.688 9.235 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.800 16.822 9.358 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.869 16.867 7.936 1.00 0.00 H new ATOM 1726 N GLN A 116 -6.688 14.800 5.893 1.00 0.00 N ATOM 1727 CA GLN A 116 -7.504 14.107 4.893 1.00 0.00 C ATOM 1728 C GLN A 116 -6.725 12.902 4.318 1.00 0.00 C ATOM 1729 O GLN A 116 -7.271 11.790 4.242 1.00 0.00 O ATOM 1730 CB GLN A 116 -7.907 15.141 3.801 1.00 0.00 C ATOM 1731 CG GLN A 116 -8.961 14.695 2.757 1.00 0.00 C ATOM 1732 CD GLN A 116 -8.429 13.769 1.658 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -8.525 12.549 1.746 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -7.800 14.348 0.653 1.00 0.00 N ATOM 0 H GLN A 116 -6.404 15.735 5.600 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.414 13.701 5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -8.285 16.032 4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -7.005 15.435 3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -9.774 14.188 3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.386 15.583 2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -7.738 15.365 0.609 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -7.376 13.778 -0.079 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.444 13.132 3.946 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.581 12.080 3.350 1.00 0.00 C ATOM 1745 C GLN A 117 -4.370 10.912 4.325 1.00 0.00 C ATOM 1746 O GLN A 117 -4.564 9.743 3.959 1.00 0.00 O ATOM 1747 CB GLN A 117 -3.198 12.634 2.926 1.00 0.00 C ATOM 1748 CG GLN A 117 -3.239 13.760 1.873 1.00 0.00 C ATOM 1749 CD GLN A 117 -1.953 13.862 1.044 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -1.269 12.867 0.796 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -1.603 15.049 0.613 1.00 0.00 N ATOM 0 H GLN A 117 -4.983 14.036 4.047 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.104 11.724 2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.685 13.006 3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.600 11.812 2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -4.082 13.591 1.203 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.416 14.711 2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.182 15.861 0.828 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -0.752 15.161 0.062 1.00 0.00 H new ATOM 1760 N GLN A 118 -3.983 11.260 5.567 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.683 10.298 6.635 1.00 0.00 C ATOM 1762 C GLN A 118 -4.897 9.417 6.945 1.00 0.00 C ATOM 1763 O GLN A 118 -4.771 8.201 7.029 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.240 11.058 7.911 1.00 0.00 C ATOM 1765 CG GLN A 118 -2.790 10.147 9.070 1.00 0.00 C ATOM 1766 CD GLN A 118 -2.493 10.896 10.367 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -3.084 11.936 10.661 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -1.593 10.366 11.162 1.00 0.00 N ATOM 0 H GLN A 118 -3.870 12.231 5.857 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.875 9.650 6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.421 11.729 7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.066 11.680 8.254 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.567 9.406 9.260 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.897 9.601 8.765 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -1.119 9.504 10.893 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.367 10.816 12.049 1.00 0.00 H new ATOM 1777 N ALA A 119 -6.070 10.058 7.083 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.338 9.367 7.383 1.00 0.00 C ATOM 1779 C ALA A 119 -7.773 8.457 6.213 1.00 0.00 C ATOM 1780 O ALA A 119 -8.422 7.427 6.430 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.429 10.388 7.711 1.00 0.00 C ATOM 0 H ALA A 119 -6.167 11.069 6.990 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.181 8.730 8.253 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.361 9.867 7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.128 10.976 8.578 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.576 11.050 6.858 1.00 0.00 H new ATOM 1787 N GLY A 120 -7.390 8.855 4.982 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.637 8.050 3.781 1.00 0.00 C ATOM 1789 C GLY A 120 -6.866 6.744 3.800 1.00 0.00 C ATOM 1790 O GLY A 120 -7.460 5.664 3.704 1.00 0.00 O ATOM 0 H GLY A 120 -6.907 9.734 4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.703 7.840 3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.357 8.623 2.897 1.00 0.00 H new ATOM 1794 N TRP A 121 -5.538 6.857 3.974 1.00 0.00 N ATOM 1795 CA TRP A 121 -4.640 5.695 4.048 1.00 0.00 C ATOM 1796 C TRP A 121 -4.956 4.805 5.257 1.00 0.00 C ATOM 1797 O TRP A 121 -4.989 3.591 5.129 1.00 0.00 O ATOM 1798 CB TRP A 121 -3.168 6.146 4.091 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.663 6.696 2.785 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -2.391 7.993 2.489 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -2.378 5.950 1.592 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -1.945 8.102 1.204 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -1.930 6.866 0.630 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -2.455 4.596 1.246 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -1.558 6.483 -0.652 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 -2.086 4.213 -0.030 1.00 0.00 C ATOM 1807 CH2 TRP A 121 -1.642 5.155 -0.965 1.00 0.00 C ATOM 0 H TRP A 121 -5.060 7.753 4.067 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.804 5.103 3.147 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -3.053 6.906 4.863 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -2.547 5.299 4.382 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -2.511 8.820 3.173 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -1.667 8.970 0.746 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -2.796 3.864 1.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -1.215 7.208 -1.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -2.141 3.171 -0.310 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -1.360 4.826 -1.954 1.00 0.00 H new ATOM 1818 N GLN A 122 -5.197 5.428 6.425 1.00 0.00 N ATOM 1819 CA GLN A 122 -5.572 4.711 7.659 1.00 0.00 C ATOM 1820 C GLN A 122 -6.915 3.988 7.501 1.00 0.00 C ATOM 1821 O GLN A 122 -7.121 2.956 8.122 1.00 0.00 O ATOM 1822 CB GLN A 122 -5.617 5.685 8.875 1.00 0.00 C ATOM 1823 CG GLN A 122 -4.231 6.085 9.420 1.00 0.00 C ATOM 1824 CD GLN A 122 -3.496 4.924 10.099 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -3.616 4.721 11.306 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -2.756 4.138 9.331 1.00 0.00 N ATOM 0 H GLN A 122 -5.138 6.440 6.541 1.00 0.00 H new ATOM 0 HA GLN A 122 -4.806 3.958 7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -6.154 6.588 8.583 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -6.189 5.219 9.677 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -3.620 6.465 8.601 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.349 6.900 10.134 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -2.675 4.331 8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.268 3.340 9.738 1.00 0.00 H new ATOM 1835 N GLY A 123 -7.814 4.548 6.681 1.00 0.00 N ATOM 1836 CA GLY A 123 -9.063 3.874 6.320 1.00 0.00 C ATOM 1837 C GLY A 123 -8.834 2.591 5.516 1.00 0.00 C ATOM 1838 O GLY A 123 -9.401 1.534 5.828 1.00 0.00 O ATOM 0 H GLY A 123 -7.697 5.468 6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.617 3.635 7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.684 4.556 5.739 1.00 0.00 H new ATOM 1842 N ILE A 124 -7.949 2.690 4.511 1.00 0.00 N ATOM 1843 CA ILE A 124 -7.624 1.582 3.591 1.00 0.00 C ATOM 1844 C ILE A 124 -6.716 0.533 4.298 1.00 0.00 C ATOM 1845 O ILE A 124 -6.803 -0.663 4.009 1.00 0.00 O ATOM 1846 CB ILE A 124 -6.934 2.145 2.282 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -7.840 3.235 1.614 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -6.611 1.019 1.269 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -7.211 3.956 0.430 1.00 0.00 C ATOM 0 H ILE A 124 -7.434 3.547 4.310 1.00 0.00 H new ATOM 0 HA ILE A 124 -8.548 1.082 3.301 1.00 0.00 H new ATOM 0 HB ILE A 124 -5.989 2.599 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -8.766 2.764 1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -8.110 3.974 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -6.139 1.449 0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -5.934 0.299 1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -7.533 0.515 0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -7.914 4.690 0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -6.301 4.462 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -6.967 3.233 -0.348 1.00 0.00 H new ATOM 1861 N LEU A 125 -5.895 1.006 5.263 1.00 0.00 N ATOM 1862 CA LEU A 125 -4.903 0.182 6.000 1.00 0.00 C ATOM 1863 C LEU A 125 -5.567 -0.554 7.187 1.00 0.00 C ATOM 1864 O LEU A 125 -5.168 -1.668 7.540 1.00 0.00 O ATOM 1865 CB LEU A 125 -3.725 1.081 6.484 1.00 0.00 C ATOM 1866 CG LEU A 125 -2.545 0.368 7.219 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -1.901 -0.735 6.349 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -1.487 1.392 7.692 1.00 0.00 C ATOM 0 H LEU A 125 -5.901 1.983 5.557 1.00 0.00 H new ATOM 0 HA LEU A 125 -4.507 -0.578 5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -3.319 1.603 5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -4.131 1.841 7.152 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.963 -0.121 8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.086 -1.203 6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.650 -1.487 6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.512 -0.294 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.677 0.869 8.200 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.089 1.928 6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.949 2.101 8.379 1.00 0.00 H new ATOM 1880 N ASP A 126 -6.560 0.102 7.815 1.00 0.00 N ATOM 1881 CA ASP A 126 -7.485 -0.532 8.789 1.00 0.00 C ATOM 1882 C ASP A 126 -8.235 -1.689 8.126 1.00 0.00 C ATOM 1883 O ASP A 126 -8.342 -2.791 8.680 1.00 0.00 O ATOM 1884 CB ASP A 126 -8.494 0.521 9.317 1.00 0.00 C ATOM 1885 CG ASP A 126 -9.662 -0.070 10.123 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -9.473 -0.397 11.314 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -10.782 -0.196 9.574 1.00 0.00 O ATOM 0 H ASP A 126 -6.749 1.093 7.664 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.906 -0.923 9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -7.961 1.236 9.944 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.897 1.077 8.471 1.00 0.00 H new ATOM 1892 N ASN A 127 -8.737 -1.413 6.912 1.00 0.00 N ATOM 1893 CA ASN A 127 -9.478 -2.395 6.110 1.00 0.00 C ATOM 1894 C ASN A 127 -8.538 -3.453 5.526 1.00 0.00 C ATOM 1895 O ASN A 127 -8.980 -4.558 5.218 1.00 0.00 O ATOM 1896 CB ASN A 127 -10.271 -1.685 4.989 1.00 0.00 C ATOM 1897 CG ASN A 127 -11.528 -0.934 5.464 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -12.498 -0.821 4.711 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -11.532 -0.397 6.684 1.00 0.00 N ATOM 0 H ASN A 127 -8.640 -0.503 6.461 1.00 0.00 H new ATOM 0 HA ASN A 127 -10.185 -2.905 6.764 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -9.610 -0.978 4.488 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -10.567 -2.426 4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -12.348 0.120 7.011 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -10.719 -0.503 7.290 1.00 0.00 H new ATOM 1906 N PHE A 128 -7.248 -3.099 5.371 1.00 0.00 N ATOM 1907 CA PHE A 128 -6.195 -4.047 4.970 1.00 0.00 C ATOM 1908 C PHE A 128 -5.978 -5.070 6.092 1.00 0.00 C ATOM 1909 O PHE A 128 -6.065 -6.268 5.847 1.00 0.00 O ATOM 1910 CB PHE A 128 -4.876 -3.299 4.641 1.00 0.00 C ATOM 1911 CG PHE A 128 -3.692 -4.202 4.299 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -3.729 -5.024 3.178 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -2.546 -4.228 5.092 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -2.664 -5.833 2.859 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -1.478 -5.046 4.773 1.00 0.00 C ATOM 1916 CZ PHE A 128 -1.538 -5.850 3.658 1.00 0.00 C ATOM 0 H PHE A 128 -6.908 -2.149 5.520 1.00 0.00 H new ATOM 0 HA PHE A 128 -6.510 -4.570 4.067 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -5.056 -2.627 3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -4.605 -2.677 5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -4.607 -5.027 2.549 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.492 -3.600 5.969 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -2.708 -6.458 1.979 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.598 -5.054 5.398 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.707 -6.493 3.408 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.741 -4.569 7.328 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.577 -5.405 8.539 1.00 0.00 C ATOM 1928 C LYS A 129 -6.768 -6.372 8.706 1.00 0.00 C ATOM 1929 O LYS A 129 -6.587 -7.587 8.872 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.443 -4.497 9.805 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.511 -5.265 11.150 1.00 0.00 C ATOM 1932 CD LYS A 129 -5.448 -4.364 12.403 1.00 0.00 C ATOM 1933 CE LYS A 129 -5.820 -5.122 13.702 1.00 0.00 C ATOM 1934 NZ LYS A 129 -5.032 -6.375 13.902 1.00 0.00 N ATOM 0 H LYS A 129 -5.658 -3.569 7.513 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.668 -5.996 8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.496 -3.960 9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -6.235 -3.749 9.787 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.435 -5.842 11.179 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.688 -5.979 11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -4.443 -3.954 12.501 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -6.125 -3.520 12.273 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -5.664 -4.463 14.556 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -6.882 -5.369 13.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -5.267 -6.789 14.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -5.263 -7.054 13.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -4.016 -6.155 13.869 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.978 -5.802 8.592 1.00 0.00 N ATOM 1949 CA ARG A 130 -9.244 -6.523 8.780 1.00 0.00 C ATOM 1950 C ARG A 130 -9.419 -7.611 7.698 1.00 0.00 C ATOM 1951 O ARG A 130 -9.870 -8.719 7.990 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.417 -5.502 8.758 1.00 0.00 C ATOM 1953 CG ARG A 130 -11.762 -6.042 9.285 1.00 0.00 C ATOM 1954 CD ARG A 130 -12.858 -4.957 9.340 1.00 0.00 C ATOM 1955 NE ARG A 130 -14.102 -5.465 9.948 1.00 0.00 N ATOM 1956 CZ ARG A 130 -14.919 -4.771 10.761 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -14.658 -3.502 11.090 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -15.995 -5.367 11.256 1.00 0.00 N ATOM 0 H ARG A 130 -8.105 -4.816 8.364 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.237 -7.030 9.745 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.134 -4.633 9.352 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -10.558 -5.156 7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -12.097 -6.859 8.646 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -11.617 -6.457 10.282 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.496 -4.103 9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -13.066 -4.599 8.332 1.00 0.00 H new ATOM 0 HE ARG A 130 -14.366 -6.427 9.733 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -13.826 -3.041 10.723 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -15.291 -2.995 11.708 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -16.194 -6.339 11.019 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -16.624 -4.854 11.874 1.00 0.00 H new ATOM 1972 N TYR A 131 -9.022 -7.271 6.458 1.00 0.00 N ATOM 1973 CA TYR A 131 -9.062 -8.180 5.292 1.00 0.00 C ATOM 1974 C TYR A 131 -8.115 -9.381 5.476 1.00 0.00 C ATOM 1975 O TYR A 131 -8.508 -10.531 5.246 1.00 0.00 O ATOM 1976 CB TYR A 131 -8.695 -7.368 4.010 1.00 0.00 C ATOM 1977 CG TYR A 131 -8.240 -8.184 2.789 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -9.097 -9.083 2.153 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.943 -8.047 2.272 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -8.682 -9.813 1.060 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -6.530 -8.776 1.177 1.00 0.00 C ATOM 1982 CZ TYR A 131 -7.405 -9.658 0.575 1.00 0.00 C ATOM 1983 OH TYR A 131 -7.011 -10.384 -0.525 1.00 0.00 O ATOM 0 H TYR A 131 -8.659 -6.345 6.232 1.00 0.00 H new ATOM 0 HA TYR A 131 -10.068 -8.587 5.193 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -9.563 -6.776 3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -7.902 -6.666 4.266 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -10.103 -9.209 2.524 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -6.256 -7.358 2.740 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -9.360 -10.507 0.585 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -5.528 -8.658 0.792 1.00 0.00 H new ATOM 0 HH TYR A 131 -6.032 -10.392 -0.578 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.874 -9.091 5.896 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.800 -10.092 6.022 1.00 0.00 C ATOM 1995 C VAL A 132 -6.152 -11.160 7.081 1.00 0.00 C ATOM 1996 O VAL A 132 -5.947 -12.365 6.870 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.433 -9.375 6.359 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -3.309 -10.372 6.674 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -4.004 -8.454 5.198 1.00 0.00 C ATOM 0 H VAL A 132 -6.584 -8.149 6.160 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.693 -10.610 5.069 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.604 -8.779 7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -2.392 -9.827 6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.591 -10.978 7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.145 -11.019 5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -3.061 -7.969 5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.878 -9.046 4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.769 -7.696 5.033 1.00 0.00 H new ATOM 2009 N GLU A 133 -6.735 -10.698 8.192 1.00 0.00 N ATOM 2010 CA GLU A 133 -7.101 -11.556 9.331 1.00 0.00 C ATOM 2011 C GLU A 133 -8.478 -12.222 9.146 1.00 0.00 C ATOM 2012 O GLU A 133 -8.770 -13.222 9.811 1.00 0.00 O ATOM 2013 CB GLU A 133 -7.069 -10.720 10.620 1.00 0.00 C ATOM 2014 CG GLU A 133 -5.702 -10.059 10.896 1.00 0.00 C ATOM 2015 CD GLU A 133 -5.742 -9.116 12.094 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -6.539 -8.166 12.074 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -4.992 -9.313 13.066 1.00 0.00 O ATOM 0 H GLU A 133 -6.969 -9.715 8.330 1.00 0.00 H new ATOM 0 HA GLU A 133 -6.374 -12.365 9.395 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -7.832 -9.944 10.559 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -7.331 -11.359 11.464 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -4.956 -10.834 11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -5.384 -9.506 10.012 1.00 0.00 H new ATOM 2024 N ALA A 134 -9.316 -11.673 8.242 1.00 0.00 N ATOM 2025 CA ALA A 134 -10.628 -12.273 7.902 1.00 0.00 C ATOM 2026 C ALA A 134 -10.421 -13.453 6.954 1.00 0.00 C ATOM 2027 O ALA A 134 -10.996 -14.532 7.135 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.553 -11.238 7.248 1.00 0.00 C ATOM 0 H ALA A 134 -9.109 -10.814 7.732 1.00 0.00 H new ATOM 0 HA ALA A 134 -11.099 -12.619 8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.509 -11.704 7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.716 -10.409 7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -11.092 -10.865 6.333 1.00 0.00 H new ATOM 2034 N ALA A 135 -9.577 -13.207 5.942 1.00 0.00 N ATOM 2035 CA ALA A 135 -9.201 -14.192 4.928 1.00 0.00 C ATOM 2036 C ALA A 135 -8.373 -15.323 5.553 1.00 0.00 C ATOM 2037 O ALA A 135 -8.517 -16.489 5.175 1.00 0.00 O ATOM 2038 CB ALA A 135 -8.417 -13.504 3.804 1.00 0.00 C ATOM 0 H ALA A 135 -9.130 -12.300 5.806 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.106 -14.631 4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -8.139 -14.241 3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.038 -12.734 3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.517 -13.048 4.215 1.00 0.00 H new ATOM 2044 N GLY A 136 -7.499 -14.958 6.511 1.00 0.00 N ATOM 2045 CA GLY A 136 -6.659 -15.921 7.232 1.00 0.00 C ATOM 2046 C GLY A 136 -5.235 -15.944 6.710 1.00 0.00 C ATOM 2047 O GLY A 136 -4.298 -16.150 7.486 1.00 0.00 O ATOM 0 H GLY A 136 -7.359 -13.991 6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -6.651 -15.671 8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -7.093 -16.917 7.143 1.00 0.00 H new ATOM 2051 N LEU A 137 -5.096 -15.794 5.366 1.00 0.00 N ATOM 2052 CA LEU A 137 -3.791 -15.634 4.671 1.00 0.00 C ATOM 2053 C LEU A 137 -2.823 -16.795 4.968 1.00 0.00 C ATOM 2054 O LEU A 137 -1.603 -16.610 5.071 1.00 0.00 O ATOM 2055 CB LEU A 137 -3.167 -14.235 5.004 1.00 0.00 C ATOM 2056 CG LEU A 137 -3.385 -13.111 3.949 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -2.642 -13.420 2.642 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -4.880 -12.844 3.679 1.00 0.00 C ATOM 0 H LEU A 137 -5.893 -15.781 4.730 1.00 0.00 H new ATOM 0 HA LEU A 137 -3.974 -15.672 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -3.578 -13.895 5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.094 -14.365 5.148 1.00 0.00 H new ATOM 0 HG LEU A 137 -2.965 -12.199 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -2.815 -12.616 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -1.574 -13.505 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -3.009 -14.359 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -4.980 -12.052 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -5.350 -13.753 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -5.368 -12.537 4.604 1.00 0.00 H new ATOM 2070 N GLU A 138 -3.400 -17.989 5.045 1.00 0.00 N ATOM 2071 CA GLU A 138 -2.677 -19.242 5.324 1.00 0.00 C ATOM 2072 C GLU A 138 -1.819 -19.680 4.117 1.00 0.00 C ATOM 2073 O GLU A 138 -1.939 -19.123 3.024 1.00 0.00 O ATOM 2074 CB GLU A 138 -3.700 -20.340 5.701 1.00 0.00 C ATOM 2075 CG GLU A 138 -4.487 -20.040 6.997 1.00 0.00 C ATOM 2076 CD GLU A 138 -5.604 -21.059 7.288 1.00 0.00 C ATOM 2077 OE1 GLU A 138 -6.749 -20.850 6.823 1.00 0.00 O ATOM 2078 OE2 GLU A 138 -5.347 -22.072 7.982 1.00 0.00 O ATOM 0 H GLU A 138 -4.402 -18.125 4.914 1.00 0.00 H new ATOM 0 HA GLU A 138 -1.994 -19.078 6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -4.405 -20.464 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -3.175 -21.288 5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -3.794 -20.023 7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -4.924 -19.044 6.925 1.00 0.00 H new ATOM 2085 N HIS A 139 -0.954 -20.684 4.337 1.00 0.00 N ATOM 2086 CA HIS A 139 -0.047 -21.209 3.298 1.00 0.00 C ATOM 2087 C HIS A 139 -0.832 -22.054 2.282 1.00 0.00 C ATOM 2088 O HIS A 139 -0.889 -23.281 2.391 1.00 0.00 O ATOM 2089 CB HIS A 139 1.090 -22.045 3.937 1.00 0.00 C ATOM 2090 CG HIS A 139 1.922 -21.295 4.934 1.00 0.00 C ATOM 2091 ND1 HIS A 139 2.322 -21.830 6.139 1.00 0.00 N ATOM 2092 CD2 HIS A 139 2.456 -20.058 4.883 1.00 0.00 C ATOM 2093 CE1 HIS A 139 3.062 -20.953 6.781 1.00 0.00 C ATOM 2094 NE2 HIS A 139 3.155 -19.876 6.037 1.00 0.00 N ATOM 0 H HIS A 139 -0.862 -21.155 5.237 1.00 0.00 H new ATOM 0 HA HIS A 139 0.403 -20.366 2.774 1.00 0.00 H new ATOM 0 HB2 HIS A 139 0.654 -22.915 4.427 1.00 0.00 H new ATOM 0 HB3 HIS A 139 1.740 -22.417 3.145 1.00 0.00 H new ATOM 0 HD2 HIS A 139 2.349 -19.346 4.078 1.00 0.00 H new ATOM 0 HE1 HIS A 139 3.514 -21.094 7.751 1.00 0.00 H new ATOM 0 HE2 HIS A 139 3.672 -19.032 6.285 1.00 0.00 H new ATOM 2103 N HIS A 140 -1.473 -21.365 1.324 1.00 0.00 N ATOM 2104 CA HIS A 140 -2.314 -21.993 0.293 1.00 0.00 C ATOM 2105 C HIS A 140 -1.440 -22.624 -0.803 1.00 0.00 C ATOM 2106 O HIS A 140 -1.177 -22.008 -1.835 1.00 0.00 O ATOM 2107 CB HIS A 140 -3.289 -20.948 -0.316 1.00 0.00 C ATOM 2108 CG HIS A 140 -4.152 -20.243 0.695 1.00 0.00 C ATOM 2109 ND1 HIS A 140 -4.011 -18.906 0.994 1.00 0.00 N ATOM 2110 CD2 HIS A 140 -5.158 -20.693 1.480 1.00 0.00 C ATOM 2111 CE1 HIS A 140 -4.887 -18.565 1.911 1.00 0.00 C ATOM 2112 NE2 HIS A 140 -5.596 -19.628 2.222 1.00 0.00 N ATOM 0 H HIS A 140 -1.422 -20.350 1.243 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.903 -22.784 0.757 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -2.710 -20.204 -0.864 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -3.932 -21.448 -1.040 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.543 -21.701 1.515 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -5.005 -17.580 2.337 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -6.352 -19.655 2.907 1.00 0.00 H new ATOM 2121 N HIS A 141 -0.939 -23.839 -0.526 1.00 0.00 N ATOM 2122 CA HIS A 141 -0.090 -24.610 -1.464 1.00 0.00 C ATOM 2123 C HIS A 141 -0.288 -26.114 -1.201 1.00 0.00 C ATOM 2124 O HIS A 141 -0.537 -26.890 -2.122 1.00 0.00 O ATOM 2125 CB HIS A 141 1.420 -24.242 -1.317 1.00 0.00 C ATOM 2126 CG HIS A 141 1.793 -22.849 -1.772 1.00 0.00 C ATOM 2127 ND1 HIS A 141 1.868 -21.770 -0.914 1.00 0.00 N ATOM 2128 CD2 HIS A 141 2.105 -22.364 -2.998 1.00 0.00 C ATOM 2129 CE1 HIS A 141 2.209 -20.694 -1.594 1.00 0.00 C ATOM 2130 NE2 HIS A 141 2.356 -21.024 -2.854 1.00 0.00 N ATOM 0 H HIS A 141 -1.109 -24.320 0.357 1.00 0.00 H new ATOM 0 HA HIS A 141 -0.391 -24.360 -2.481 1.00 0.00 H new ATOM 0 HB2 HIS A 141 1.704 -24.353 -0.270 1.00 0.00 H new ATOM 0 HB3 HIS A 141 2.009 -24.962 -1.885 1.00 0.00 H new ATOM 0 HD2 HIS A 141 2.148 -22.928 -3.918 1.00 0.00 H new ATOM 0 HE1 HIS A 141 2.345 -19.705 -1.182 1.00 0.00 H new ATOM 0 HE2 HIS A 141 2.615 -20.386 -3.607 1.00 0.00 H new ATOM 2139 N HIS A 142 -0.164 -26.506 0.080 1.00 0.00 N ATOM 2140 CA HIS A 142 -0.299 -27.906 0.529 1.00 0.00 C ATOM 2141 C HIS A 142 -1.384 -27.956 1.619 1.00 0.00 C ATOM 2142 O HIS A 142 -1.117 -27.639 2.787 1.00 0.00 O ATOM 2143 CB HIS A 142 1.054 -28.440 1.094 1.00 0.00 C ATOM 2144 CG HIS A 142 2.225 -28.367 0.142 1.00 0.00 C ATOM 2145 ND1 HIS A 142 2.625 -29.418 -0.651 1.00 0.00 N ATOM 2146 CD2 HIS A 142 3.088 -27.351 -0.132 1.00 0.00 C ATOM 2147 CE1 HIS A 142 3.670 -29.055 -1.369 1.00 0.00 C ATOM 2148 NE2 HIS A 142 3.971 -27.809 -1.079 1.00 0.00 N ATOM 0 H HIS A 142 0.034 -25.855 0.840 1.00 0.00 H new ATOM 0 HA HIS A 142 -0.578 -28.537 -0.315 1.00 0.00 H new ATOM 0 HB2 HIS A 142 1.302 -27.875 1.993 1.00 0.00 H new ATOM 0 HB3 HIS A 142 0.918 -29.478 1.397 1.00 0.00 H new ATOM 0 HD2 HIS A 142 3.080 -26.367 0.313 1.00 0.00 H new ATOM 0 HE1 HIS A 142 4.193 -29.679 -2.079 1.00 0.00 H new ATOM 0 HE2 HIS A 142 4.734 -27.271 -1.489 1.00 0.00 H new ATOM 2157 N HIS A 143 -2.622 -28.302 1.221 1.00 0.00 N ATOM 2158 CA HIS A 143 -3.785 -28.336 2.136 1.00 0.00 C ATOM 2159 C HIS A 143 -3.869 -29.686 2.891 1.00 0.00 C ATOM 2160 O HIS A 143 -4.720 -29.865 3.767 1.00 0.00 O ATOM 2161 CB HIS A 143 -5.092 -28.032 1.348 1.00 0.00 C ATOM 2162 CG HIS A 143 -6.316 -27.824 2.213 1.00 0.00 C ATOM 2163 ND1 HIS A 143 -7.422 -28.648 2.176 1.00 0.00 N ATOM 2164 CD2 HIS A 143 -6.599 -26.877 3.146 1.00 0.00 C ATOM 2165 CE1 HIS A 143 -8.321 -28.221 3.043 1.00 0.00 C ATOM 2166 NE2 HIS A 143 -7.845 -27.151 3.642 1.00 0.00 N ATOM 0 H HIS A 143 -2.847 -28.565 0.262 1.00 0.00 H new ATOM 0 HA HIS A 143 -3.656 -27.561 2.892 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -4.936 -27.140 0.742 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -5.285 -28.855 0.660 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -5.959 -26.059 3.442 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -9.284 -28.673 3.229 1.00 0.00 H new ATOM 0 HE2 HIS A 143 -8.327 -26.612 4.361 1.00 0.00 H new ATOM 2175 N HIS A 144 -2.983 -30.639 2.535 1.00 0.00 N ATOM 2176 CA HIS A 144 -2.822 -31.915 3.252 1.00 0.00 C ATOM 2177 C HIS A 144 -1.357 -32.032 3.725 1.00 0.00 C ATOM 2178 O HIS A 144 -0.475 -32.319 2.887 1.00 0.00 O ATOM 2179 CB HIS A 144 -3.223 -33.123 2.354 1.00 0.00 C ATOM 2180 CG HIS A 144 -4.682 -33.175 2.017 1.00 0.00 C ATOM 2181 ND1 HIS A 144 -5.593 -33.918 2.737 1.00 0.00 N ATOM 2182 CD2 HIS A 144 -5.389 -32.570 1.036 1.00 0.00 C ATOM 2183 CE1 HIS A 144 -6.790 -33.764 2.212 1.00 0.00 C ATOM 2184 NE2 HIS A 144 -6.693 -32.950 1.186 1.00 0.00 N ATOM 2185 OXT HIS A 144 -1.095 -31.804 4.919 1.00 0.00 O ATOM 0 H HIS A 144 -2.356 -30.541 1.736 1.00 0.00 H new ATOM 0 HA HIS A 144 -3.486 -31.932 4.116 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -2.648 -33.081 1.429 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -2.945 -34.047 2.861 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -4.997 -31.910 0.276 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -7.699 -34.229 2.565 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -7.468 -32.649 0.595 1.00 0.00 H new TER 2194 HIS A 144