USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -129:sc= -0.806 (180deg=-3.01!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -150:sc= -1.16 USER MOD Single : A 18 TYR OH : rot 44:sc=0.000419 USER MOD Single : A 24 MET CE :methyl -179:sc= 0 (180deg=-0.000268) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 38 ASN : amide:sc= 0.228 X(o=0.23,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.85 K(o=-0.85,f=-3.9!) USER MOD Single : A 52 THR OG1 : rot -79:sc= 1.19 USER MOD Single : A 69 TYR OH : rot -6:sc= 0.0257 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 83 MET CE :methyl -147:sc= -0.712 (180deg=-3.57!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -14:sc= -0.668! USER MOD Single : A 94 HIS : no HD1:sc= -13.4! C(o=-13!,f=-17!) USER MOD Single : A 102 HIS : no HD1:sc= -10.7! C(o=-11!,f=-10!) USER MOD Single : A 106 LYS NZ :NH3+ -167:sc= 0.104 (180deg=0.0742) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 195.432 -19.040 0.727 1.00 0.00 N ATOM 2 CA MET A 1 194.469 -20.001 1.327 1.00 0.00 C ATOM 3 C MET A 1 193.406 -19.276 2.145 1.00 0.00 C ATOM 4 O MET A 1 192.209 -19.458 1.927 1.00 0.00 O ATOM 5 CB MET A 1 195.244 -20.977 2.214 1.00 0.00 C ATOM 6 CG MET A 1 194.485 -22.260 2.512 1.00 0.00 C ATOM 7 SD MET A 1 194.531 -23.429 1.140 1.00 0.00 S ATOM 8 CE MET A 1 193.056 -22.956 0.241 1.00 0.00 C ATOM 0 H1 MET A 1 196.144 -19.560 0.176 1.00 0.00 H new ATOM 0 H2 MET A 1 194.923 -18.383 0.102 1.00 0.00 H new ATOM 0 H3 MET A 1 195.904 -18.503 1.483 1.00 0.00 H new ATOM 0 HA MET A 1 193.958 -20.542 0.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 196.187 -21.227 1.728 1.00 0.00 H new ATOM 0 HB3 MET A 1 195.491 -20.484 3.154 1.00 0.00 H new ATOM 0 HG2 MET A 1 194.909 -22.730 3.399 1.00 0.00 H new ATOM 0 HG3 MET A 1 193.448 -22.018 2.744 1.00 0.00 H new ATOM 0 HE1 MET A 1 192.448 -23.840 0.049 1.00 0.00 H new ATOM 0 HE2 MET A 1 192.482 -22.243 0.833 1.00 0.00 H new ATOM 0 HE3 MET A 1 193.339 -22.497 -0.706 1.00 0.00 H new ATOM 18 N THR A 2 193.853 -18.452 3.088 1.00 0.00 N ATOM 19 CA THR A 2 192.940 -17.699 3.940 1.00 0.00 C ATOM 20 C THR A 2 192.157 -16.678 3.115 1.00 0.00 C ATOM 21 O THR A 2 192.723 -15.709 2.609 1.00 0.00 O ATOM 22 CB THR A 2 193.725 -17.008 5.069 1.00 0.00 C ATOM 23 OG1 THR A 2 193.827 -17.860 6.195 1.00 0.00 O ATOM 24 CG2 THR A 2 193.122 -15.697 5.547 1.00 0.00 C ATOM 0 H THR A 2 194.841 -18.289 3.281 1.00 0.00 H new ATOM 0 HA THR A 2 192.224 -18.388 4.388 1.00 0.00 H new ATOM 0 HB THR A 2 194.698 -16.788 4.630 1.00 0.00 H new ATOM 0 HG1 THR A 2 194.330 -17.407 6.903 1.00 0.00 H new ATOM 0 HG21 THR A 2 193.740 -15.281 6.343 1.00 0.00 H new ATOM 0 HG22 THR A 2 193.077 -14.993 4.716 1.00 0.00 H new ATOM 0 HG23 THR A 2 192.116 -15.876 5.925 1.00 0.00 H new ATOM 32 N THR A 3 190.854 -16.905 2.985 1.00 0.00 N ATOM 33 CA THR A 3 189.994 -16.008 2.222 1.00 0.00 C ATOM 34 C THR A 3 189.746 -14.712 2.986 1.00 0.00 C ATOM 35 O THR A 3 189.411 -14.731 4.171 1.00 0.00 O ATOM 36 CB THR A 3 188.663 -16.691 1.906 1.00 0.00 C ATOM 37 OG1 THR A 3 187.782 -15.794 1.252 1.00 0.00 O ATOM 38 CG2 THR A 3 187.953 -17.217 3.135 1.00 0.00 C ATOM 0 H THR A 3 190.371 -17.702 3.398 1.00 0.00 H new ATOM 0 HA THR A 3 190.501 -15.766 1.288 1.00 0.00 H new ATOM 0 HB THR A 3 188.917 -17.535 1.264 1.00 0.00 H new ATOM 0 HG1 THR A 3 186.937 -16.250 1.057 1.00 0.00 H new ATOM 0 HG21 THR A 3 187.016 -17.689 2.840 1.00 0.00 H new ATOM 0 HG22 THR A 3 188.586 -17.949 3.636 1.00 0.00 H new ATOM 0 HG23 THR A 3 187.744 -16.392 3.816 1.00 0.00 H new ATOM 46 N GLU A 4 189.910 -13.586 2.299 1.00 0.00 N ATOM 47 CA GLU A 4 189.702 -12.279 2.912 1.00 0.00 C ATOM 48 C GLU A 4 188.420 -11.635 2.394 1.00 0.00 C ATOM 49 O GLU A 4 188.105 -11.723 1.208 1.00 0.00 O ATOM 50 CB GLU A 4 190.896 -11.364 2.631 1.00 0.00 C ATOM 51 CG GLU A 4 190.953 -10.143 3.535 1.00 0.00 C ATOM 52 CD GLU A 4 191.049 -10.509 5.003 1.00 0.00 C ATOM 53 OE1 GLU A 4 192.107 -11.030 5.417 1.00 0.00 O ATOM 54 OE2 GLU A 4 190.068 -10.275 5.740 1.00 0.00 O ATOM 0 H GLU A 4 190.186 -13.552 1.318 1.00 0.00 H new ATOM 0 HA GLU A 4 189.608 -12.421 3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 4 191.817 -11.936 2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 4 190.855 -11.035 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 4 191.812 -9.531 3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 4 190.064 -9.534 3.374 1.00 0.00 H new ATOM 61 N ILE A 5 187.684 -10.987 3.292 1.00 0.00 N ATOM 62 CA ILE A 5 186.436 -10.328 2.924 1.00 0.00 C ATOM 63 C ILE A 5 186.683 -8.872 2.545 1.00 0.00 C ATOM 64 O ILE A 5 187.252 -8.106 3.322 1.00 0.00 O ATOM 65 CB ILE A 5 185.400 -10.374 4.069 1.00 0.00 C ATOM 66 CG1 ILE A 5 185.456 -11.711 4.820 1.00 0.00 C ATOM 67 CG2 ILE A 5 184.001 -10.132 3.521 1.00 0.00 C ATOM 68 CD1 ILE A 5 184.933 -11.623 6.237 1.00 0.00 C ATOM 0 H ILE A 5 187.930 -10.904 4.278 1.00 0.00 H new ATOM 0 HA ILE A 5 186.037 -10.872 2.068 1.00 0.00 H new ATOM 0 HB ILE A 5 185.646 -9.583 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 5 184.876 -12.453 4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 5 186.487 -12.065 4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 5 183.279 -10.167 4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 5 183.962 -9.153 3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 5 183.758 -10.903 2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 5 185.001 -12.602 6.711 1.00 0.00 H new ATOM 0 HD12 ILE A 5 185.528 -10.905 6.801 1.00 0.00 H new ATOM 0 HD13 ILE A 5 183.892 -11.299 6.221 1.00 0.00 H new ATOM 80 N LYS A 6 186.249 -8.497 1.346 1.00 0.00 N ATOM 81 CA LYS A 6 186.422 -7.132 0.865 1.00 0.00 C ATOM 82 C LYS A 6 185.136 -6.330 1.040 1.00 0.00 C ATOM 83 O LYS A 6 184.181 -6.798 1.661 1.00 0.00 O ATOM 84 CB LYS A 6 186.844 -7.136 -0.607 1.00 0.00 C ATOM 85 CG LYS A 6 188.325 -6.860 -0.814 1.00 0.00 C ATOM 86 CD LYS A 6 188.577 -5.404 -1.176 1.00 0.00 C ATOM 87 CE LYS A 6 189.632 -4.779 -0.277 1.00 0.00 C ATOM 88 NZ LYS A 6 189.832 -3.334 -0.576 1.00 0.00 N ATOM 0 H LYS A 6 185.775 -9.119 0.691 1.00 0.00 H new ATOM 0 HA LYS A 6 187.207 -6.659 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 6 186.598 -8.104 -1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 6 186.264 -6.386 -1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 6 188.873 -7.110 0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 6 188.709 -7.504 -1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 6 188.898 -5.337 -2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 6 187.647 -4.841 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 6 189.336 -4.896 0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 6 190.576 -5.310 -0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 190.559 -2.946 0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 190.139 -3.223 -1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 188.938 -2.823 -0.432 1.00 0.00 H new ATOM 102 N LYS A 7 185.119 -5.120 0.492 1.00 0.00 N ATOM 103 CA LYS A 7 183.950 -4.254 0.591 1.00 0.00 C ATOM 104 C LYS A 7 183.370 -3.955 -0.789 1.00 0.00 C ATOM 105 O LYS A 7 184.073 -3.479 -1.681 1.00 0.00 O ATOM 106 CB LYS A 7 184.318 -2.946 1.295 1.00 0.00 C ATOM 107 CG LYS A 7 184.309 -3.047 2.811 1.00 0.00 C ATOM 108 CD LYS A 7 183.906 -1.730 3.454 1.00 0.00 C ATOM 109 CE LYS A 7 185.119 -0.867 3.763 1.00 0.00 C ATOM 110 NZ LYS A 7 184.824 0.583 3.600 1.00 0.00 N ATOM 0 H LYS A 7 185.901 -4.717 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 7 183.193 -4.776 1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 7 185.309 -2.633 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 7 183.619 -2.168 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 7 183.618 -3.831 3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 7 185.299 -3.337 3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 7 183.234 -1.189 2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 7 183.354 -1.926 4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 7 185.450 -1.058 4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 7 185.941 -1.147 3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 185.676 1.137 3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 184.533 0.770 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 184.057 0.856 4.247 1.00 0.00 H new ATOM 124 N LEU A 8 182.082 -4.236 -0.954 1.00 0.00 N ATOM 125 CA LEU A 8 181.393 -3.999 -2.219 1.00 0.00 C ATOM 126 C LEU A 8 181.608 -2.567 -2.702 1.00 0.00 C ATOM 127 O LEU A 8 181.911 -1.673 -1.911 1.00 0.00 O ATOM 128 CB LEU A 8 179.892 -4.269 -2.063 1.00 0.00 C ATOM 129 CG LEU A 8 179.369 -5.498 -2.805 1.00 0.00 C ATOM 130 CD1 LEU A 8 177.924 -5.776 -2.420 1.00 0.00 C ATOM 131 CD2 LEU A 8 179.491 -5.300 -4.307 1.00 0.00 C ATOM 0 H LEU A 8 181.490 -4.631 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 8 181.810 -4.681 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.668 -4.383 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 8 179.344 -3.394 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 8 179.973 -6.359 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 8 177.567 -6.655 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 8 177.862 -5.957 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 8 177.306 -4.916 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 8 179.115 -6.184 -4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 8 178.909 -4.429 -4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 8 180.537 -5.145 -4.570 1.00 0.00 H new ATOM 143 N ASP A 9 181.441 -2.356 -4.002 1.00 0.00 N ATOM 144 CA ASP A 9 181.607 -1.033 -4.587 1.00 0.00 C ATOM 145 C ASP A 9 180.343 -0.198 -4.388 1.00 0.00 C ATOM 146 O ASP A 9 179.231 -0.721 -4.455 1.00 0.00 O ATOM 147 CB ASP A 9 181.933 -1.147 -6.079 1.00 0.00 C ATOM 148 CG ASP A 9 183.398 -0.887 -6.373 1.00 0.00 C ATOM 149 OD1 ASP A 9 184.244 -1.694 -5.933 1.00 0.00 O ATOM 150 OD2 ASP A 9 183.699 0.123 -7.043 1.00 0.00 O ATOM 0 H ASP A 9 181.191 -3.085 -4.670 1.00 0.00 H new ATOM 0 HA ASP A 9 182.436 -0.536 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 9 181.666 -2.143 -6.431 1.00 0.00 H new ATOM 0 HB3 ASP A 9 181.322 -0.437 -6.637 1.00 0.00 H new ATOM 155 N PRO A 10 180.495 1.114 -4.137 1.00 0.00 N ATOM 156 CA PRO A 10 179.357 2.013 -3.926 1.00 0.00 C ATOM 157 C PRO A 10 178.278 1.849 -4.992 1.00 0.00 C ATOM 158 O PRO A 10 177.121 1.564 -4.681 1.00 0.00 O ATOM 159 CB PRO A 10 179.987 3.402 -4.013 1.00 0.00 C ATOM 160 CG PRO A 10 181.397 3.202 -3.576 1.00 0.00 C ATOM 161 CD PRO A 10 181.786 1.823 -4.038 1.00 0.00 C ATOM 0 HA PRO A 10 178.851 1.815 -2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 10 179.939 3.797 -5.028 1.00 0.00 H new ATOM 0 HB3 PRO A 10 179.469 4.113 -3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 10 182.051 3.958 -4.011 1.00 0.00 H new ATOM 0 HG3 PRO A 10 181.486 3.290 -2.493 1.00 0.00 H new ATOM 0 HD2 PRO A 10 182.302 1.852 -4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 10 182.457 1.337 -3.330 1.00 0.00 H new ATOM 169 N ASP A 11 178.664 2.029 -6.251 1.00 0.00 N ATOM 170 CA ASP A 11 177.730 1.902 -7.363 1.00 0.00 C ATOM 171 C ASP A 11 177.086 0.519 -7.384 1.00 0.00 C ATOM 172 O ASP A 11 175.887 0.388 -7.627 1.00 0.00 O ATOM 173 CB ASP A 11 178.446 2.164 -8.688 1.00 0.00 C ATOM 174 CG ASP A 11 179.608 1.218 -8.914 1.00 0.00 C ATOM 175 OD1 ASP A 11 180.609 1.320 -8.174 1.00 0.00 O ATOM 176 OD2 ASP A 11 179.517 0.374 -9.831 1.00 0.00 O ATOM 0 H ASP A 11 179.618 2.263 -6.526 1.00 0.00 H new ATOM 0 HA ASP A 11 176.943 2.644 -7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 11 177.735 2.064 -9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 11 178.809 3.192 -8.705 1.00 0.00 H new ATOM 181 N THR A 12 177.890 -0.510 -7.128 1.00 0.00 N ATOM 182 CA THR A 12 177.397 -1.886 -7.119 1.00 0.00 C ATOM 183 C THR A 12 176.187 -2.032 -6.198 1.00 0.00 C ATOM 184 O THR A 12 175.085 -2.330 -6.650 1.00 0.00 O ATOM 185 CB THR A 12 178.505 -2.844 -6.681 1.00 0.00 C ATOM 186 OG1 THR A 12 179.708 -2.571 -7.379 1.00 0.00 O ATOM 187 CG2 THR A 12 178.162 -4.300 -6.911 1.00 0.00 C ATOM 0 H THR A 12 178.885 -0.418 -6.924 1.00 0.00 H new ATOM 0 HA THR A 12 177.087 -2.138 -8.133 1.00 0.00 H new ATOM 0 HB THR A 12 178.623 -2.680 -5.610 1.00 0.00 H new ATOM 0 HG1 THR A 12 180.225 -3.398 -7.476 1.00 0.00 H new ATOM 0 HG21 THR A 12 178.990 -4.926 -6.579 1.00 0.00 H new ATOM 0 HG22 THR A 12 177.265 -4.556 -6.347 1.00 0.00 H new ATOM 0 HG23 THR A 12 177.983 -4.468 -7.973 1.00 0.00 H new ATOM 195 N ALA A 13 176.395 -1.821 -4.905 1.00 0.00 N ATOM 196 CA ALA A 13 175.311 -1.931 -3.934 1.00 0.00 C ATOM 197 C ALA A 13 174.068 -1.169 -4.398 1.00 0.00 C ATOM 198 O ALA A 13 172.951 -1.680 -4.322 1.00 0.00 O ATOM 199 CB ALA A 13 175.766 -1.421 -2.575 1.00 0.00 C ATOM 0 H ALA A 13 177.300 -1.574 -4.504 1.00 0.00 H new ATOM 0 HA ALA A 13 175.045 -2.984 -3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 13 174.947 -1.509 -1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 13 176.614 -2.012 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 13 176.063 -0.376 -2.659 1.00 0.00 H new ATOM 205 N ILE A 14 174.271 0.062 -4.862 1.00 0.00 N ATOM 206 CA ILE A 14 173.169 0.905 -5.321 1.00 0.00 C ATOM 207 C ILE A 14 172.276 0.195 -6.346 1.00 0.00 C ATOM 208 O ILE A 14 171.052 0.282 -6.264 1.00 0.00 O ATOM 209 CB ILE A 14 173.693 2.240 -5.910 1.00 0.00 C ATOM 210 CG1 ILE A 14 173.820 3.288 -4.801 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.782 2.756 -7.020 1.00 0.00 C ATOM 212 CD1 ILE A 14 175.242 3.510 -4.334 1.00 0.00 C ATOM 0 H ILE A 14 175.190 0.499 -4.930 1.00 0.00 H new ATOM 0 HA ILE A 14 172.559 1.119 -4.443 1.00 0.00 H new ATOM 0 HB ILE A 14 174.675 2.054 -6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.413 4.234 -5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 14 173.212 2.980 -3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 14 173.179 3.693 -7.410 1.00 0.00 H new ATOM 0 HG22 ILE A 14 172.734 2.020 -7.823 1.00 0.00 H new ATOM 0 HG23 ILE A 14 171.782 2.924 -6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.253 4.265 -3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 14 175.647 2.576 -3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 14 175.851 3.849 -5.172 1.00 0.00 H new ATOM 224 N ASP A 15 172.878 -0.500 -7.310 1.00 0.00 N ATOM 225 CA ASP A 15 172.088 -1.197 -8.326 1.00 0.00 C ATOM 226 C ASP A 15 171.385 -2.412 -7.734 1.00 0.00 C ATOM 227 O ASP A 15 170.235 -2.696 -8.070 1.00 0.00 O ATOM 228 CB ASP A 15 172.944 -1.625 -9.523 1.00 0.00 C ATOM 229 CG ASP A 15 174.298 -2.172 -9.127 1.00 0.00 C ATOM 230 OD1 ASP A 15 174.375 -3.367 -8.774 1.00 0.00 O ATOM 231 OD2 ASP A 15 175.283 -1.407 -9.174 1.00 0.00 O ATOM 0 H ASP A 15 173.889 -0.596 -7.410 1.00 0.00 H new ATOM 0 HA ASP A 15 171.338 -0.490 -8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 15 172.406 -2.383 -10.092 1.00 0.00 H new ATOM 0 HB3 ASP A 15 173.085 -0.770 -10.184 1.00 0.00 H new ATOM 236 N ILE A 16 172.074 -3.125 -6.852 1.00 0.00 N ATOM 237 CA ILE A 16 171.497 -4.304 -6.222 1.00 0.00 C ATOM 238 C ILE A 16 170.342 -3.915 -5.304 1.00 0.00 C ATOM 239 O ILE A 16 169.187 -4.254 -5.564 1.00 0.00 O ATOM 240 CB ILE A 16 172.548 -5.092 -5.414 1.00 0.00 C ATOM 241 CG1 ILE A 16 173.767 -5.399 -6.283 1.00 0.00 C ATOM 242 CG2 ILE A 16 171.947 -6.380 -4.873 1.00 0.00 C ATOM 243 CD1 ILE A 16 175.083 -5.243 -5.554 1.00 0.00 C ATOM 0 H ILE A 16 173.027 -2.909 -6.559 1.00 0.00 H new ATOM 0 HA ILE A 16 171.126 -4.944 -7.023 1.00 0.00 H new ATOM 0 HB ILE A 16 172.867 -4.478 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 16 173.688 -6.419 -6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 16 173.761 -4.739 -7.150 1.00 0.00 H new ATOM 0 HG21 ILE A 16 172.702 -6.924 -4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 16 171.105 -6.143 -4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 16 171.603 -6.997 -5.703 1.00 0.00 H new ATOM 0 HD11 ILE A 16 175.904 -5.477 -6.232 1.00 0.00 H new ATOM 0 HD12 ILE A 16 175.184 -4.217 -5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 16 175.110 -5.923 -4.703 1.00 0.00 H new ATOM 255 N ALA A 17 170.660 -3.196 -4.228 1.00 0.00 N ATOM 256 CA ALA A 17 169.648 -2.757 -3.273 1.00 0.00 C ATOM 257 C ALA A 17 168.463 -2.113 -3.986 1.00 0.00 C ATOM 258 O ALA A 17 167.307 -2.365 -3.644 1.00 0.00 O ATOM 259 CB ALA A 17 170.254 -1.785 -2.271 1.00 0.00 C ATOM 0 H ALA A 17 171.610 -2.906 -3.998 1.00 0.00 H new ATOM 0 HA ALA A 17 169.284 -3.634 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 17 169.488 -1.466 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 17 171.063 -2.277 -1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.646 -0.916 -2.799 1.00 0.00 H new ATOM 265 N TYR A 18 168.758 -1.289 -4.988 1.00 0.00 N ATOM 266 CA TYR A 18 167.716 -0.619 -5.757 1.00 0.00 C ATOM 267 C TYR A 18 166.739 -1.644 -6.324 1.00 0.00 C ATOM 268 O TYR A 18 165.526 -1.519 -6.158 1.00 0.00 O ATOM 269 CB TYR A 18 168.336 0.206 -6.888 1.00 0.00 C ATOM 270 CG TYR A 18 167.319 0.884 -7.780 1.00 0.00 C ATOM 271 CD1 TYR A 18 166.173 1.462 -7.247 1.00 0.00 C ATOM 272 CD2 TYR A 18 167.508 0.949 -9.154 1.00 0.00 C ATOM 273 CE1 TYR A 18 165.245 2.084 -8.060 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.585 1.570 -9.973 1.00 0.00 C ATOM 275 CZ TYR A 18 165.455 2.135 -9.422 1.00 0.00 C ATOM 276 OH TYR A 18 164.533 2.755 -10.234 1.00 0.00 O ATOM 0 H TYR A 18 169.709 -1.070 -5.285 1.00 0.00 H new ATOM 0 HA TYR A 18 167.172 0.054 -5.095 1.00 0.00 H new ATOM 0 HB2 TYR A 18 168.989 0.964 -6.456 1.00 0.00 H new ATOM 0 HB3 TYR A 18 168.963 -0.445 -7.498 1.00 0.00 H new ATOM 0 HD1 TYR A 18 166.005 1.424 -6.181 1.00 0.00 H new ATOM 0 HD2 TYR A 18 168.392 0.507 -9.590 1.00 0.00 H new ATOM 0 HE1 TYR A 18 164.359 2.528 -7.631 1.00 0.00 H new ATOM 0 HE2 TYR A 18 166.748 1.613 -11.040 1.00 0.00 H new ATOM 0 HH TYR A 18 164.257 3.603 -9.828 1.00 0.00 H new ATOM 286 N ASP A 19 167.280 -2.664 -6.985 1.00 0.00 N ATOM 287 CA ASP A 19 166.459 -3.719 -7.568 1.00 0.00 C ATOM 288 C ASP A 19 165.506 -4.294 -6.523 1.00 0.00 C ATOM 289 O ASP A 19 164.371 -4.657 -6.834 1.00 0.00 O ATOM 290 CB ASP A 19 167.345 -4.829 -8.139 1.00 0.00 C ATOM 291 CG ASP A 19 166.919 -5.248 -9.532 1.00 0.00 C ATOM 292 OD1 ASP A 19 166.578 -4.360 -10.341 1.00 0.00 O ATOM 293 OD2 ASP A 19 166.927 -6.465 -9.815 1.00 0.00 O ATOM 0 H ASP A 19 168.283 -2.781 -7.130 1.00 0.00 H new ATOM 0 HA ASP A 19 165.870 -3.288 -8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 19 168.380 -4.487 -8.166 1.00 0.00 H new ATOM 0 HB3 ASP A 19 167.312 -5.694 -7.476 1.00 0.00 H new ATOM 298 N ILE A 20 165.972 -4.358 -5.277 1.00 0.00 N ATOM 299 CA ILE A 20 165.155 -4.871 -4.186 1.00 0.00 C ATOM 300 C ILE A 20 163.912 -4.008 -4.008 1.00 0.00 C ATOM 301 O ILE A 20 162.802 -4.442 -4.302 1.00 0.00 O ATOM 302 CB ILE A 20 165.941 -4.923 -2.858 1.00 0.00 C ATOM 303 CG1 ILE A 20 167.273 -5.656 -3.054 1.00 0.00 C ATOM 304 CG2 ILE A 20 165.112 -5.600 -1.778 1.00 0.00 C ATOM 305 CD1 ILE A 20 168.084 -5.794 -1.781 1.00 0.00 C ATOM 0 H ILE A 20 166.908 -4.061 -5.001 1.00 0.00 H new ATOM 0 HA ILE A 20 164.863 -5.888 -4.448 1.00 0.00 H new ATOM 0 HB ILE A 20 166.154 -3.902 -2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 20 167.075 -6.649 -3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 20 167.866 -5.122 -3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 20 165.680 -5.629 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 20 164.190 -5.040 -1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 20 164.871 -6.617 -2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 20 169.013 -6.323 -1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 20 168.313 -4.804 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 20 167.510 -6.355 -1.043 1.00 0.00 H new ATOM 317 N PHE A 21 164.108 -2.780 -3.532 1.00 0.00 N ATOM 318 CA PHE A 21 163.004 -1.841 -3.317 1.00 0.00 C ATOM 319 C PHE A 21 161.989 -1.885 -4.463 1.00 0.00 C ATOM 320 O PHE A 21 160.809 -1.596 -4.269 1.00 0.00 O ATOM 321 CB PHE A 21 163.559 -0.421 -3.163 1.00 0.00 C ATOM 322 CG PHE A 21 162.504 0.650 -3.090 1.00 0.00 C ATOM 323 CD1 PHE A 21 161.497 0.585 -2.142 1.00 0.00 C ATOM 324 CD2 PHE A 21 162.525 1.722 -3.970 1.00 0.00 C ATOM 325 CE1 PHE A 21 160.528 1.569 -2.072 1.00 0.00 C ATOM 326 CE2 PHE A 21 161.559 2.709 -3.905 1.00 0.00 C ATOM 327 CZ PHE A 21 160.559 2.632 -2.954 1.00 0.00 C ATOM 0 H PHE A 21 165.026 -2.409 -3.286 1.00 0.00 H new ATOM 0 HA PHE A 21 162.484 -2.136 -2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 21 164.168 -0.377 -2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 21 164.219 -0.208 -4.004 1.00 0.00 H new ATOM 0 HD1 PHE A 21 161.468 -0.243 -1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 21 163.305 1.786 -4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 21 159.747 1.507 -1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 21 161.586 3.539 -4.596 1.00 0.00 H new ATOM 0 HZ PHE A 21 159.803 3.402 -2.900 1.00 0.00 H new ATOM 337 N LEU A 22 162.456 -2.240 -5.656 1.00 0.00 N ATOM 338 CA LEU A 22 161.591 -2.310 -6.829 1.00 0.00 C ATOM 339 C LEU A 22 160.637 -3.504 -6.758 1.00 0.00 C ATOM 340 O LEU A 22 159.448 -3.374 -7.052 1.00 0.00 O ATOM 341 CB LEU A 22 162.441 -2.399 -8.103 1.00 0.00 C ATOM 342 CG LEU A 22 162.384 -1.176 -9.024 1.00 0.00 C ATOM 343 CD1 LEU A 22 162.466 0.113 -8.219 1.00 0.00 C ATOM 344 CD2 LEU A 22 163.508 -1.237 -10.048 1.00 0.00 C ATOM 0 H LEU A 22 163.430 -2.484 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 22 160.989 -1.401 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 22 163.479 -2.566 -7.815 1.00 0.00 H new ATOM 0 HB3 LEU A 22 162.123 -3.274 -8.670 1.00 0.00 H new ATOM 0 HG LEU A 22 161.429 -1.186 -9.550 1.00 0.00 H new ATOM 0 HD11 LEU A 22 162.424 0.967 -8.895 1.00 0.00 H new ATOM 0 HD12 LEU A 22 161.630 0.160 -7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 22 163.404 0.136 -7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 22 163.457 -0.363 -10.697 1.00 0.00 H new ATOM 0 HD22 LEU A 22 164.469 -1.251 -9.533 1.00 0.00 H new ATOM 0 HD23 LEU A 22 163.404 -2.141 -10.648 1.00 0.00 H new ATOM 356 N GLU A 23 161.163 -4.668 -6.386 1.00 0.00 N ATOM 357 CA GLU A 23 160.352 -5.880 -6.304 1.00 0.00 C ATOM 358 C GLU A 23 159.888 -6.157 -4.871 1.00 0.00 C ATOM 359 O GLU A 23 158.855 -6.791 -4.658 1.00 0.00 O ATOM 360 CB GLU A 23 161.150 -7.072 -6.855 1.00 0.00 C ATOM 361 CG GLU A 23 160.941 -8.376 -6.099 1.00 0.00 C ATOM 362 CD GLU A 23 161.704 -9.535 -6.711 1.00 0.00 C ATOM 363 OE1 GLU A 23 162.879 -9.339 -7.089 1.00 0.00 O ATOM 364 OE2 GLU A 23 161.128 -10.638 -6.811 1.00 0.00 O ATOM 0 H GLU A 23 162.144 -4.798 -6.137 1.00 0.00 H new ATOM 0 HA GLU A 23 159.457 -5.733 -6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 23 160.876 -7.224 -7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 23 162.211 -6.822 -6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 23 161.255 -8.245 -5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 23 159.878 -8.615 -6.082 1.00 0.00 H new ATOM 371 N MET A 24 160.656 -5.689 -3.896 1.00 0.00 N ATOM 372 CA MET A 24 160.322 -5.898 -2.491 1.00 0.00 C ATOM 373 C MET A 24 159.208 -4.957 -2.040 1.00 0.00 C ATOM 374 O MET A 24 158.257 -5.378 -1.382 1.00 0.00 O ATOM 375 CB MET A 24 161.561 -5.698 -1.617 1.00 0.00 C ATOM 376 CG MET A 24 162.199 -7.001 -1.161 1.00 0.00 C ATOM 377 SD MET A 24 162.835 -6.909 0.524 1.00 0.00 S ATOM 378 CE MET A 24 161.390 -7.401 1.460 1.00 0.00 C ATOM 0 H MET A 24 161.515 -5.162 -4.051 1.00 0.00 H new ATOM 0 HA MET A 24 159.966 -6.922 -2.381 1.00 0.00 H new ATOM 0 HB2 MET A 24 162.297 -5.117 -2.172 1.00 0.00 H new ATOM 0 HB3 MET A 24 161.287 -5.111 -0.741 1.00 0.00 H new ATOM 0 HG2 MET A 24 161.464 -7.803 -1.225 1.00 0.00 H new ATOM 0 HG3 MET A 24 163.012 -7.260 -1.839 1.00 0.00 H new ATOM 0 HE1 MET A 24 161.620 -7.376 2.525 1.00 0.00 H new ATOM 0 HE2 MET A 24 160.569 -6.715 1.250 1.00 0.00 H new ATOM 0 HE3 MET A 24 161.099 -8.412 1.176 1.00 0.00 H new ATOM 388 N ALA A 25 159.335 -3.682 -2.392 1.00 0.00 N ATOM 389 CA ALA A 25 158.339 -2.684 -2.015 1.00 0.00 C ATOM 390 C ALA A 25 156.952 -3.063 -2.523 1.00 0.00 C ATOM 391 O ALA A 25 156.756 -4.147 -3.072 1.00 0.00 O ATOM 392 CB ALA A 25 158.738 -1.314 -2.540 1.00 0.00 C ATOM 0 H ALA A 25 160.116 -3.315 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 25 158.298 -2.648 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 25 157.986 -0.580 -2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 25 159.702 -1.030 -2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 25 158.812 -1.348 -3.627 1.00 0.00 H new ATOM 398 N GLY A 26 155.990 -2.164 -2.331 1.00 0.00 N ATOM 399 CA GLY A 26 154.631 -2.425 -2.770 1.00 0.00 C ATOM 400 C GLY A 26 154.069 -3.697 -2.169 1.00 0.00 C ATOM 401 O GLY A 26 153.265 -4.387 -2.795 1.00 0.00 O ATOM 0 H GLY A 26 156.128 -1.260 -1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 26 153.995 -1.584 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 26 154.610 -2.499 -3.857 1.00 0.00 H new ATOM 405 N GLU A 27 154.501 -4.006 -0.951 1.00 0.00 N ATOM 406 CA GLU A 27 154.047 -5.209 -0.255 1.00 0.00 C ATOM 407 C GLU A 27 154.220 -5.092 1.262 1.00 0.00 C ATOM 408 O GLU A 27 153.473 -5.707 2.023 1.00 0.00 O ATOM 409 CB GLU A 27 154.814 -6.431 -0.763 1.00 0.00 C ATOM 410 CG GLU A 27 154.307 -6.962 -2.093 1.00 0.00 C ATOM 411 CD GLU A 27 152.837 -7.330 -2.051 1.00 0.00 C ATOM 412 OE1 GLU A 27 151.992 -6.416 -2.165 1.00 0.00 O ATOM 413 OE2 GLU A 27 152.529 -8.531 -1.904 1.00 0.00 O ATOM 0 H GLU A 27 155.166 -3.441 -0.423 1.00 0.00 H new ATOM 0 HA GLU A 27 152.984 -5.324 -0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 27 155.868 -6.171 -0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 27 154.751 -7.224 -0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 27 154.468 -6.210 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 27 154.889 -7.839 -2.376 1.00 0.00 H new ATOM 420 N ASN A 28 155.208 -4.313 1.701 1.00 0.00 N ATOM 421 CA ASN A 28 155.466 -4.140 3.127 1.00 0.00 C ATOM 422 C ASN A 28 155.270 -2.688 3.567 1.00 0.00 C ATOM 423 O ASN A 28 155.089 -2.414 4.754 1.00 0.00 O ATOM 424 CB ASN A 28 156.888 -4.593 3.461 1.00 0.00 C ATOM 425 CG ASN A 28 156.954 -6.063 3.828 1.00 0.00 C ATOM 426 OD1 ASN A 28 156.511 -6.925 3.069 1.00 0.00 O ATOM 427 ND2 ASN A 28 157.510 -6.356 4.998 1.00 0.00 N ATOM 0 H ASN A 28 155.840 -3.794 1.091 1.00 0.00 H new ATOM 0 HA ASN A 28 154.747 -4.755 3.669 1.00 0.00 H new ATOM 0 HB2 ASN A 28 157.537 -4.405 2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 28 157.272 -3.997 4.289 1.00 0.00 H new ATOM 0 HD21 ASN A 28 157.583 -7.328 5.299 1.00 0.00 H new ATOM 0 HD22 ASN A 28 157.864 -5.609 5.596 1.00 0.00 H new ATOM 434 N LEU A 29 155.311 -1.760 2.614 1.00 0.00 N ATOM 435 CA LEU A 29 155.143 -0.343 2.924 1.00 0.00 C ATOM 436 C LEU A 29 153.711 0.111 2.658 1.00 0.00 C ATOM 437 O LEU A 29 152.963 -0.546 1.936 1.00 0.00 O ATOM 438 CB LEU A 29 156.117 0.501 2.098 1.00 0.00 C ATOM 439 CG LEU A 29 156.703 1.721 2.817 1.00 0.00 C ATOM 440 CD1 LEU A 29 158.076 2.062 2.259 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.773 2.917 2.711 1.00 0.00 C ATOM 0 H LEU A 29 155.458 -1.962 1.625 1.00 0.00 H new ATOM 0 HA LEU A 29 155.357 -0.204 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 29 156.939 -0.137 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 29 155.603 0.842 1.199 1.00 0.00 H new ATOM 0 HG LEU A 29 156.810 1.470 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 29 158.476 2.931 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.746 1.214 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 29 157.991 2.286 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 29 156.214 3.768 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 29 155.624 3.170 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.813 2.673 3.166 1.00 0.00 H new ATOM 453 N ASP A 30 153.343 1.245 3.244 1.00 0.00 N ATOM 454 CA ASP A 30 152.008 1.801 3.069 1.00 0.00 C ATOM 455 C ASP A 30 151.755 2.147 1.601 1.00 0.00 C ATOM 456 O ASP A 30 152.600 2.763 0.951 1.00 0.00 O ATOM 457 CB ASP A 30 151.839 3.051 3.939 1.00 0.00 C ATOM 458 CG ASP A 30 153.006 4.010 3.807 1.00 0.00 C ATOM 459 OD1 ASP A 30 153.224 4.530 2.692 1.00 0.00 O ATOM 460 OD2 ASP A 30 153.702 4.241 4.818 1.00 0.00 O ATOM 0 H ASP A 30 153.953 1.798 3.846 1.00 0.00 H new ATOM 0 HA ASP A 30 151.280 1.051 3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 30 150.918 3.563 3.659 1.00 0.00 H new ATOM 0 HB3 ASP A 30 151.734 2.753 4.982 1.00 0.00 H new ATOM 465 N PRO A 31 150.587 1.753 1.052 1.00 0.00 N ATOM 466 CA PRO A 31 150.236 2.025 -0.346 1.00 0.00 C ATOM 467 C PRO A 31 150.618 3.434 -0.796 1.00 0.00 C ATOM 468 O PRO A 31 150.893 3.665 -1.972 1.00 0.00 O ATOM 469 CB PRO A 31 148.721 1.852 -0.353 1.00 0.00 C ATOM 470 CG PRO A 31 148.465 0.813 0.683 1.00 0.00 C ATOM 471 CD PRO A 31 149.517 1.006 1.746 1.00 0.00 C ATOM 0 HA PRO A 31 150.767 1.368 -1.035 1.00 0.00 H new ATOM 0 HB2 PRO A 31 148.213 2.786 -0.114 1.00 0.00 H new ATOM 0 HB3 PRO A 31 148.361 1.535 -1.332 1.00 0.00 H new ATOM 0 HG2 PRO A 31 147.465 0.920 1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 31 148.525 -0.187 0.254 1.00 0.00 H new ATOM 0 HD2 PRO A 31 149.127 1.564 2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 31 149.879 0.052 2.129 1.00 0.00 H new ATOM 479 N ALA A 32 150.632 4.374 0.144 1.00 0.00 N ATOM 480 CA ALA A 32 150.981 5.757 -0.166 1.00 0.00 C ATOM 481 C ALA A 32 152.317 5.841 -0.901 1.00 0.00 C ATOM 482 O ALA A 32 152.409 6.429 -1.978 1.00 0.00 O ATOM 483 CB ALA A 32 151.026 6.586 1.110 1.00 0.00 C ATOM 0 H ALA A 32 150.406 4.204 1.124 1.00 0.00 H new ATOM 0 HA ALA A 32 150.211 6.159 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 32 151.287 7.616 0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 32 150.049 6.564 1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 32 151.774 6.172 1.786 1.00 0.00 H new ATOM 489 N ASP A 33 153.351 5.251 -0.308 1.00 0.00 N ATOM 490 CA ASP A 33 154.684 5.262 -0.904 1.00 0.00 C ATOM 491 C ASP A 33 154.667 4.673 -2.309 1.00 0.00 C ATOM 492 O ASP A 33 155.438 5.090 -3.172 1.00 0.00 O ATOM 493 CB ASP A 33 155.669 4.487 -0.031 1.00 0.00 C ATOM 494 CG ASP A 33 157.091 4.577 -0.546 1.00 0.00 C ATOM 495 OD1 ASP A 33 157.401 5.548 -1.269 1.00 0.00 O ATOM 496 OD2 ASP A 33 157.897 3.677 -0.227 1.00 0.00 O ATOM 0 H ASP A 33 153.292 4.760 0.584 1.00 0.00 H new ATOM 0 HA ASP A 33 155.006 6.301 -0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 33 155.629 4.873 0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 33 155.367 3.441 0.012 1.00 0.00 H new ATOM 501 N ILE A 34 153.781 3.709 -2.537 1.00 0.00 N ATOM 502 CA ILE A 34 153.670 3.079 -3.846 1.00 0.00 C ATOM 503 C ILE A 34 153.280 4.112 -4.897 1.00 0.00 C ATOM 504 O ILE A 34 153.920 4.222 -5.943 1.00 0.00 O ATOM 505 CB ILE A 34 152.638 1.931 -3.834 1.00 0.00 C ATOM 506 CG1 ILE A 34 153.086 0.832 -2.868 1.00 0.00 C ATOM 507 CG2 ILE A 34 152.446 1.364 -5.233 1.00 0.00 C ATOM 508 CD1 ILE A 34 151.994 -0.157 -2.527 1.00 0.00 C ATOM 0 H ILE A 34 153.133 3.349 -1.836 1.00 0.00 H new ATOM 0 HA ILE A 34 154.644 2.658 -4.095 1.00 0.00 H new ATOM 0 HB ILE A 34 151.681 2.329 -3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 34 153.927 0.295 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.447 1.293 -1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 34 151.715 0.556 -5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 34 152.090 2.150 -5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 34 153.396 0.979 -5.603 1.00 0.00 H new ATOM 0 HD11 ILE A 34 152.384 -0.907 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 34 151.161 0.368 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 34 151.649 -0.646 -3.438 1.00 0.00 H new ATOM 520 N LEU A 35 152.235 4.876 -4.603 1.00 0.00 N ATOM 521 CA LEU A 35 151.768 5.914 -5.512 1.00 0.00 C ATOM 522 C LEU A 35 152.814 7.017 -5.634 1.00 0.00 C ATOM 523 O LEU A 35 153.178 7.427 -6.735 1.00 0.00 O ATOM 524 CB LEU A 35 150.443 6.497 -5.016 1.00 0.00 C ATOM 525 CG LEU A 35 149.889 7.653 -5.855 1.00 0.00 C ATOM 526 CD1 LEU A 35 148.477 7.345 -6.329 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.913 8.951 -5.060 1.00 0.00 C ATOM 0 H LEU A 35 151.695 4.796 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 35 151.609 5.471 -6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.700 5.700 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 35 150.577 6.843 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 35 150.526 7.774 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 35 148.103 8.179 -6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 35 148.487 6.441 -6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 35 147.828 7.194 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 35 149.516 9.760 -5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 35 149.302 8.840 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.939 9.183 -4.773 1.00 0.00 H new ATOM 539 N LEU A 36 153.303 7.484 -4.488 1.00 0.00 N ATOM 540 CA LEU A 36 154.319 8.532 -4.453 1.00 0.00 C ATOM 541 C LEU A 36 155.557 8.104 -5.236 1.00 0.00 C ATOM 542 O LEU A 36 155.990 8.788 -6.162 1.00 0.00 O ATOM 543 CB LEU A 36 154.699 8.842 -2.999 1.00 0.00 C ATOM 544 CG LEU A 36 154.147 10.155 -2.435 1.00 0.00 C ATOM 545 CD1 LEU A 36 155.055 11.316 -2.805 1.00 0.00 C ATOM 546 CD2 LEU A 36 152.727 10.405 -2.927 1.00 0.00 C ATOM 0 H LEU A 36 153.011 7.152 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 36 153.910 9.430 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 36 154.352 8.023 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.786 8.864 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 36 154.117 10.072 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 36 154.648 12.241 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 36 156.050 11.145 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 36 155.119 11.396 -3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 36 152.358 11.343 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 36 152.724 10.463 -4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 36 152.081 9.588 -2.606 1.00 0.00 H new ATOM 558 N PHE A 37 156.114 6.960 -4.854 1.00 0.00 N ATOM 559 CA PHE A 37 157.299 6.416 -5.512 1.00 0.00 C ATOM 560 C PHE A 37 157.102 6.349 -7.028 1.00 0.00 C ATOM 561 O PHE A 37 158.067 6.387 -7.790 1.00 0.00 O ATOM 562 CB PHE A 37 157.607 5.020 -4.953 1.00 0.00 C ATOM 563 CG PHE A 37 158.559 4.214 -5.793 1.00 0.00 C ATOM 564 CD1 PHE A 37 159.714 4.786 -6.300 1.00 0.00 C ATOM 565 CD2 PHE A 37 158.293 2.884 -6.076 1.00 0.00 C ATOM 566 CE1 PHE A 37 160.588 4.046 -7.074 1.00 0.00 C ATOM 567 CE2 PHE A 37 159.163 2.139 -6.849 1.00 0.00 C ATOM 568 CZ PHE A 37 160.312 2.721 -7.349 1.00 0.00 C ATOM 0 H PHE A 37 155.762 6.387 -4.087 1.00 0.00 H new ATOM 0 HA PHE A 37 158.142 7.078 -5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 37 158.025 5.126 -3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 37 156.673 4.468 -4.852 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.934 5.822 -6.088 1.00 0.00 H new ATOM 0 HD2 PHE A 37 157.396 2.425 -5.688 1.00 0.00 H new ATOM 0 HE1 PHE A 37 161.486 4.503 -7.463 1.00 0.00 H new ATOM 0 HE2 PHE A 37 158.945 1.103 -7.062 1.00 0.00 H new ATOM 0 HZ PHE A 37 160.993 2.141 -7.954 1.00 0.00 H new ATOM 578 N ASN A 38 155.847 6.247 -7.456 1.00 0.00 N ATOM 579 CA ASN A 38 155.527 6.171 -8.877 1.00 0.00 C ATOM 580 C ASN A 38 155.633 7.541 -9.542 1.00 0.00 C ATOM 581 O ASN A 38 156.466 7.749 -10.424 1.00 0.00 O ATOM 582 CB ASN A 38 154.120 5.601 -9.073 1.00 0.00 C ATOM 583 CG ASN A 38 154.136 4.120 -9.397 1.00 0.00 C ATOM 584 OD1 ASN A 38 153.686 3.701 -10.463 1.00 0.00 O ATOM 585 ND2 ASN A 38 154.655 3.318 -8.474 1.00 0.00 N ATOM 0 H ASN A 38 155.036 6.215 -6.839 1.00 0.00 H new ATOM 0 HA ASN A 38 156.252 5.508 -9.349 1.00 0.00 H new ATOM 0 HB2 ASN A 38 153.535 5.766 -8.168 1.00 0.00 H new ATOM 0 HB3 ASN A 38 153.621 6.141 -9.878 1.00 0.00 H new ATOM 0 HD21 ASN A 38 154.692 2.311 -8.635 1.00 0.00 H new ATOM 0 HD22 ASN A 38 155.017 3.709 -7.604 1.00 0.00 H new ATOM 592 N LEU A 39 154.781 8.470 -9.120 1.00 0.00 N ATOM 593 CA LEU A 39 154.778 9.817 -9.682 1.00 0.00 C ATOM 594 C LEU A 39 156.053 10.571 -9.319 1.00 0.00 C ATOM 595 O LEU A 39 156.464 11.489 -10.029 1.00 0.00 O ATOM 596 CB LEU A 39 153.558 10.603 -9.192 1.00 0.00 C ATOM 597 CG LEU A 39 152.194 9.994 -9.538 1.00 0.00 C ATOM 598 CD1 LEU A 39 152.217 9.347 -10.916 1.00 0.00 C ATOM 599 CD2 LEU A 39 151.782 8.984 -8.478 1.00 0.00 C ATOM 0 H LEU A 39 154.084 8.315 -8.391 1.00 0.00 H new ATOM 0 HA LEU A 39 154.730 9.720 -10.767 1.00 0.00 H new ATOM 0 HB2 LEU A 39 153.626 10.706 -8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 39 153.604 11.608 -9.611 1.00 0.00 H new ATOM 0 HG LEU A 39 151.458 10.798 -9.558 1.00 0.00 H new ATOM 0 HD11 LEU A 39 151.237 8.923 -11.135 1.00 0.00 H new ATOM 0 HD12 LEU A 39 152.464 10.098 -11.666 1.00 0.00 H new ATOM 0 HD13 LEU A 39 152.967 8.556 -10.934 1.00 0.00 H new ATOM 0 HD21 LEU A 39 150.812 8.560 -8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 39 152.524 8.187 -8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 39 151.714 9.480 -7.510 1.00 0.00 H new ATOM 611 N GLN A 40 156.673 10.186 -8.209 1.00 0.00 N ATOM 612 CA GLN A 40 157.893 10.832 -7.756 1.00 0.00 C ATOM 613 C GLN A 40 159.116 9.978 -8.095 1.00 0.00 C ATOM 614 O GLN A 40 159.143 9.307 -9.127 1.00 0.00 O ATOM 615 CB GLN A 40 157.811 11.096 -6.251 1.00 0.00 C ATOM 616 CG GLN A 40 156.504 11.733 -5.813 1.00 0.00 C ATOM 617 CD GLN A 40 156.256 13.072 -6.480 1.00 0.00 C ATOM 618 OE1 GLN A 40 157.092 13.566 -7.237 1.00 0.00 O ATOM 619 NE2 GLN A 40 155.101 13.667 -6.202 1.00 0.00 N ATOM 0 H GLN A 40 156.348 9.429 -7.608 1.00 0.00 H new ATOM 0 HA GLN A 40 158.001 11.786 -8.273 1.00 0.00 H new ATOM 0 HB2 GLN A 40 157.942 10.154 -5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 40 158.637 11.745 -5.959 1.00 0.00 H new ATOM 0 HG2 GLN A 40 155.680 11.058 -6.044 1.00 0.00 H new ATOM 0 HG3 GLN A 40 156.514 11.866 -4.731 1.00 0.00 H new ATOM 0 HE21 GLN A 40 154.437 13.221 -5.569 1.00 0.00 H new ATOM 0 HE22 GLN A 40 154.878 14.569 -6.622 1.00 0.00 H new ATOM 628 N PHE A 41 160.131 10.012 -7.233 1.00 0.00 N ATOM 629 CA PHE A 41 161.360 9.251 -7.449 1.00 0.00 C ATOM 630 C PHE A 41 162.169 9.844 -8.600 1.00 0.00 C ATOM 631 O PHE A 41 163.319 10.241 -8.423 1.00 0.00 O ATOM 632 CB PHE A 41 161.054 7.779 -7.730 1.00 0.00 C ATOM 633 CG PHE A 41 162.192 6.865 -7.370 1.00 0.00 C ATOM 634 CD1 PHE A 41 162.349 6.412 -6.070 1.00 0.00 C ATOM 635 CD2 PHE A 41 163.108 6.466 -8.330 1.00 0.00 C ATOM 636 CE1 PHE A 41 163.399 5.578 -5.734 1.00 0.00 C ATOM 637 CE2 PHE A 41 164.159 5.631 -8.001 1.00 0.00 C ATOM 638 CZ PHE A 41 164.305 5.187 -6.700 1.00 0.00 C ATOM 0 H PHE A 41 160.126 10.562 -6.374 1.00 0.00 H new ATOM 0 HA PHE A 41 161.951 9.313 -6.535 1.00 0.00 H new ATOM 0 HB2 PHE A 41 160.167 7.484 -7.169 1.00 0.00 H new ATOM 0 HB3 PHE A 41 160.818 7.658 -8.787 1.00 0.00 H new ATOM 0 HD1 PHE A 41 161.643 6.714 -5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 41 162.999 6.812 -9.347 1.00 0.00 H new ATOM 0 HE1 PHE A 41 163.511 5.233 -4.717 1.00 0.00 H new ATOM 0 HE2 PHE A 41 164.865 5.326 -8.759 1.00 0.00 H new ATOM 0 HZ PHE A 41 165.126 4.536 -6.440 1.00 0.00 H new ATOM 648 N GLU A 42 161.555 9.913 -9.777 1.00 0.00 N ATOM 649 CA GLU A 42 162.216 10.472 -10.948 1.00 0.00 C ATOM 650 C GLU A 42 162.571 11.935 -10.706 1.00 0.00 C ATOM 651 O GLU A 42 163.620 12.412 -11.140 1.00 0.00 O ATOM 652 CB GLU A 42 161.313 10.345 -12.179 1.00 0.00 C ATOM 653 CG GLU A 42 161.875 11.018 -13.421 1.00 0.00 C ATOM 654 CD GLU A 42 161.107 10.657 -14.678 1.00 0.00 C ATOM 655 OE1 GLU A 42 159.890 10.932 -14.730 1.00 0.00 O ATOM 656 OE2 GLU A 42 161.724 10.099 -15.610 1.00 0.00 O ATOM 0 H GLU A 42 160.602 9.589 -9.944 1.00 0.00 H new ATOM 0 HA GLU A 42 163.135 9.914 -11.129 1.00 0.00 H new ATOM 0 HB2 GLU A 42 161.150 9.288 -12.391 1.00 0.00 H new ATOM 0 HB3 GLU A 42 160.339 10.778 -11.951 1.00 0.00 H new ATOM 0 HG2 GLU A 42 161.854 12.099 -13.285 1.00 0.00 H new ATOM 0 HG3 GLU A 42 162.920 10.732 -13.543 1.00 0.00 H new ATOM 663 N GLU A 43 161.687 12.640 -10.007 1.00 0.00 N ATOM 664 CA GLU A 43 161.900 14.049 -9.701 1.00 0.00 C ATOM 665 C GLU A 43 162.447 14.224 -8.287 1.00 0.00 C ATOM 666 O GLU A 43 163.358 15.021 -8.060 1.00 0.00 O ATOM 667 CB GLU A 43 160.592 14.830 -9.854 1.00 0.00 C ATOM 668 CG GLU A 43 160.423 15.470 -11.222 1.00 0.00 C ATOM 669 CD GLU A 43 161.290 16.701 -11.401 1.00 0.00 C ATOM 670 OE1 GLU A 43 162.531 16.565 -11.361 1.00 0.00 O ATOM 671 OE2 GLU A 43 160.727 17.802 -11.581 1.00 0.00 O ATOM 0 H GLU A 43 160.815 12.257 -9.642 1.00 0.00 H new ATOM 0 HA GLU A 43 162.634 14.440 -10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 43 159.754 14.158 -9.670 1.00 0.00 H new ATOM 0 HB3 GLU A 43 160.551 15.607 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 43 160.670 14.741 -11.993 1.00 0.00 H new ATOM 0 HG3 GLU A 43 159.377 15.743 -11.365 1.00 0.00 H new ATOM 678 N ARG A 44 161.888 13.477 -7.338 1.00 0.00 N ATOM 679 CA ARG A 44 162.326 13.556 -5.950 1.00 0.00 C ATOM 680 C ARG A 44 162.857 12.209 -5.473 1.00 0.00 C ATOM 681 O ARG A 44 162.438 11.696 -4.435 1.00 0.00 O ATOM 682 CB ARG A 44 161.171 14.011 -5.055 1.00 0.00 C ATOM 683 CG ARG A 44 160.470 15.264 -5.555 1.00 0.00 C ATOM 684 CD ARG A 44 160.891 16.493 -4.764 1.00 0.00 C ATOM 685 NE ARG A 44 159.914 17.573 -4.872 1.00 0.00 N ATOM 686 CZ ARG A 44 159.720 18.287 -5.978 1.00 0.00 C ATOM 687 NH1 ARG A 44 160.431 18.038 -7.071 1.00 0.00 N ATOM 688 NH2 ARG A 44 158.811 19.253 -5.992 1.00 0.00 N ATOM 0 H ARG A 44 161.133 12.812 -7.506 1.00 0.00 H new ATOM 0 HA ARG A 44 163.132 14.287 -5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 44 160.443 13.204 -4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 44 161.552 14.194 -4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 44 160.699 15.413 -6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 44 159.391 15.133 -5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 44 161.019 16.223 -3.716 1.00 0.00 H new ATOM 0 HD3 ARG A 44 161.859 16.842 -5.124 1.00 0.00 H new ATOM 0 HE ARG A 44 159.348 17.793 -4.053 1.00 0.00 H new ATOM 0 HH11 ARG A 44 161.131 17.296 -7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 44 160.278 18.589 -7.916 1.00 0.00 H new ATOM 0 HH21 ARG A 44 158.261 19.448 -5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 44 158.662 19.801 -6.839 1.00 0.00 H new ATOM 702 N GLY A 45 163.787 11.641 -6.233 1.00 0.00 N ATOM 703 CA GLY A 45 164.361 10.361 -5.866 1.00 0.00 C ATOM 704 C GLY A 45 165.525 10.508 -4.909 1.00 0.00 C ATOM 705 O GLY A 45 166.412 11.335 -5.122 1.00 0.00 O ATOM 0 H GLY A 45 164.153 12.044 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 45 163.593 9.739 -5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 45 164.696 9.844 -6.765 1.00 0.00 H new ATOM 709 N GLY A 46 165.523 9.706 -3.851 1.00 0.00 N ATOM 710 CA GLY A 46 166.592 9.770 -2.876 1.00 0.00 C ATOM 711 C GLY A 46 166.938 8.410 -2.308 1.00 0.00 C ATOM 712 O GLY A 46 166.138 7.805 -1.594 1.00 0.00 O ATOM 0 H GLY A 46 164.801 9.014 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 46 167.478 10.203 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 46 166.300 10.436 -2.064 1.00 0.00 H new ATOM 716 N VAL A 47 168.137 7.933 -2.616 1.00 0.00 N ATOM 717 CA VAL A 47 168.605 6.644 -2.128 1.00 0.00 C ATOM 718 C VAL A 47 170.125 6.677 -1.998 1.00 0.00 C ATOM 719 O VAL A 47 170.844 6.550 -2.989 1.00 0.00 O ATOM 720 CB VAL A 47 168.189 5.487 -3.078 1.00 0.00 C ATOM 721 CG1 VAL A 47 168.690 5.754 -4.486 1.00 0.00 C ATOM 722 CG2 VAL A 47 168.715 4.153 -2.568 1.00 0.00 C ATOM 0 H VAL A 47 168.807 8.425 -3.207 1.00 0.00 H new ATOM 0 HA VAL A 47 168.146 6.461 -1.156 1.00 0.00 H new ATOM 0 HB VAL A 47 167.100 5.436 -3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 47 168.391 4.935 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 47 168.262 6.687 -4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 47 169.777 5.832 -4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 47 168.411 3.358 -3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 47 169.803 4.188 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 47 168.308 3.956 -1.576 1.00 0.00 H new ATOM 732 N GLU A 48 170.610 6.880 -0.776 1.00 0.00 N ATOM 733 CA GLU A 48 172.046 6.966 -0.533 1.00 0.00 C ATOM 734 C GLU A 48 172.588 5.735 0.186 1.00 0.00 C ATOM 735 O GLU A 48 171.911 5.131 1.018 1.00 0.00 O ATOM 736 CB GLU A 48 172.366 8.220 0.282 1.00 0.00 C ATOM 737 CG GLU A 48 171.708 9.480 -0.256 1.00 0.00 C ATOM 738 CD GLU A 48 172.506 10.120 -1.376 1.00 0.00 C ATOM 739 OE1 GLU A 48 173.420 10.916 -1.073 1.00 0.00 O ATOM 740 OE2 GLU A 48 172.216 9.826 -2.555 1.00 0.00 O ATOM 0 H GLU A 48 170.032 6.988 0.058 1.00 0.00 H new ATOM 0 HA GLU A 48 172.534 7.020 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 48 172.046 8.065 1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 48 173.446 8.364 0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 48 170.709 9.238 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 48 171.587 10.198 0.555 1.00 0.00 H new ATOM 747 N PHE A 49 173.827 5.385 -0.145 1.00 0.00 N ATOM 748 CA PHE A 49 174.498 4.239 0.457 1.00 0.00 C ATOM 749 C PHE A 49 175.161 4.634 1.775 1.00 0.00 C ATOM 750 O PHE A 49 176.265 5.179 1.786 1.00 0.00 O ATOM 751 CB PHE A 49 175.545 3.674 -0.505 1.00 0.00 C ATOM 752 CG PHE A 49 176.292 2.497 0.050 1.00 0.00 C ATOM 753 CD1 PHE A 49 175.821 1.209 -0.140 1.00 0.00 C ATOM 754 CD2 PHE A 49 177.464 2.681 0.767 1.00 0.00 C ATOM 755 CE1 PHE A 49 176.505 0.124 0.374 1.00 0.00 C ATOM 756 CE2 PHE A 49 178.151 1.600 1.284 1.00 0.00 C ATOM 757 CZ PHE A 49 177.671 0.320 1.087 1.00 0.00 C ATOM 0 H PHE A 49 174.391 5.884 -0.833 1.00 0.00 H new ATOM 0 HA PHE A 49 173.751 3.472 0.660 1.00 0.00 H new ATOM 0 HB2 PHE A 49 175.054 3.379 -1.432 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.257 4.460 -0.758 1.00 0.00 H new ATOM 0 HD1 PHE A 49 174.909 1.051 -0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 49 177.844 3.680 0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 49 176.128 -0.876 0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 49 179.063 1.756 1.842 1.00 0.00 H new ATOM 0 HZ PHE A 49 178.207 -0.526 1.490 1.00 0.00 H new ATOM 767 N VAL A 50 174.481 4.358 2.884 1.00 0.00 N ATOM 768 CA VAL A 50 175.007 4.688 4.205 1.00 0.00 C ATOM 769 C VAL A 50 175.836 3.541 4.776 1.00 0.00 C ATOM 770 O VAL A 50 175.951 2.476 4.167 1.00 0.00 O ATOM 771 CB VAL A 50 173.880 5.029 5.203 1.00 0.00 C ATOM 772 CG1 VAL A 50 173.371 6.445 4.979 1.00 0.00 C ATOM 773 CG2 VAL A 50 172.742 4.025 5.099 1.00 0.00 C ATOM 0 H VAL A 50 173.566 3.907 2.895 1.00 0.00 H new ATOM 0 HA VAL A 50 175.641 5.565 4.071 1.00 0.00 H new ATOM 0 HB VAL A 50 174.292 4.971 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 50 172.577 6.664 5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 50 174.189 7.152 5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 50 172.982 6.535 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 50 171.960 4.286 5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 50 172.333 4.042 4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 50 173.117 3.026 5.322 1.00 0.00 H new ATOM 783 N GLU A 51 176.413 3.770 5.951 1.00 0.00 N ATOM 784 CA GLU A 51 177.234 2.761 6.612 1.00 0.00 C ATOM 785 C GLU A 51 176.524 2.209 7.844 1.00 0.00 C ATOM 786 O GLU A 51 175.453 2.686 8.221 1.00 0.00 O ATOM 787 CB GLU A 51 178.587 3.354 7.010 1.00 0.00 C ATOM 788 CG GLU A 51 179.748 2.388 6.840 1.00 0.00 C ATOM 789 CD GLU A 51 180.797 2.899 5.871 1.00 0.00 C ATOM 790 OE1 GLU A 51 181.036 4.124 5.847 1.00 0.00 O ATOM 791 OE2 GLU A 51 181.378 2.073 5.136 1.00 0.00 O ATOM 0 H GLU A 51 176.327 4.646 6.466 1.00 0.00 H new ATOM 0 HA GLU A 51 177.398 1.943 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 51 178.775 4.244 6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 51 178.542 3.675 8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 51 180.212 2.209 7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 51 179.369 1.429 6.486 1.00 0.00 H new ATOM 798 N THR A 52 177.127 1.202 8.469 1.00 0.00 N ATOM 799 CA THR A 52 176.549 0.587 9.659 1.00 0.00 C ATOM 800 C THR A 52 176.679 1.507 10.867 1.00 0.00 C ATOM 801 O THR A 52 177.464 2.455 10.859 1.00 0.00 O ATOM 802 CB THR A 52 177.225 -0.754 9.949 1.00 0.00 C ATOM 803 OG1 THR A 52 177.698 -1.347 8.754 1.00 0.00 O ATOM 804 CG2 THR A 52 176.307 -1.751 10.625 1.00 0.00 C ATOM 0 H THR A 52 178.014 0.795 8.172 1.00 0.00 H new ATOM 0 HA THR A 52 175.489 0.417 9.468 1.00 0.00 H new ATOM 0 HB THR A 52 178.048 -0.523 10.626 1.00 0.00 H new ATOM 0 HG1 THR A 52 176.951 -1.767 8.279 1.00 0.00 H new ATOM 0 HG21 THR A 52 176.847 -2.681 10.803 1.00 0.00 H new ATOM 0 HG22 THR A 52 175.964 -1.343 11.576 1.00 0.00 H new ATOM 0 HG23 THR A 52 175.448 -1.948 9.984 1.00 0.00 H new ATOM 812 N ALA A 53 175.901 1.219 11.904 1.00 0.00 N ATOM 813 CA ALA A 53 175.919 2.015 13.122 1.00 0.00 C ATOM 814 C ALA A 53 175.681 1.143 14.350 1.00 0.00 C ATOM 815 O ALA A 53 175.364 -0.041 14.232 1.00 0.00 O ATOM 816 CB ALA A 53 174.866 3.105 13.038 1.00 0.00 C ATOM 0 H ALA A 53 175.248 0.436 11.924 1.00 0.00 H new ATOM 0 HA ALA A 53 176.903 2.473 13.221 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.883 3.699 13.952 1.00 0.00 H new ATOM 0 HB2 ALA A 53 175.076 3.748 12.184 1.00 0.00 H new ATOM 0 HB3 ALA A 53 173.882 2.652 12.918 1.00 0.00 H new ATOM 822 N ASP A 54 175.833 1.736 15.529 1.00 0.00 N ATOM 823 CA ASP A 54 175.629 1.013 16.780 1.00 0.00 C ATOM 824 C ASP A 54 174.176 1.115 17.243 1.00 0.00 C ATOM 825 O ASP A 54 173.742 0.369 18.121 1.00 0.00 O ATOM 826 CB ASP A 54 176.560 1.559 17.865 1.00 0.00 C ATOM 827 CG ASP A 54 178.020 1.277 17.570 1.00 0.00 C ATOM 828 OD1 ASP A 54 178.619 2.026 16.769 1.00 0.00 O ATOM 829 OD2 ASP A 54 178.564 0.308 18.139 1.00 0.00 O ATOM 0 H ASP A 54 176.097 2.714 15.645 1.00 0.00 H new ATOM 0 HA ASP A 54 175.860 -0.037 16.603 1.00 0.00 H new ATOM 0 HB2 ASP A 54 176.412 2.635 17.959 1.00 0.00 H new ATOM 0 HB3 ASP A 54 176.294 1.116 18.825 1.00 0.00 H new ATOM 834 N ASP A 55 173.429 2.042 16.648 1.00 0.00 N ATOM 835 CA ASP A 55 172.028 2.240 17.002 1.00 0.00 C ATOM 836 C ASP A 55 171.111 1.423 16.094 1.00 0.00 C ATOM 837 O ASP A 55 170.089 1.919 15.620 1.00 0.00 O ATOM 838 CB ASP A 55 171.665 3.723 16.915 1.00 0.00 C ATOM 839 CG ASP A 55 171.914 4.457 18.219 1.00 0.00 C ATOM 840 OD1 ASP A 55 173.066 4.438 18.700 1.00 0.00 O ATOM 841 OD2 ASP A 55 170.956 5.049 18.759 1.00 0.00 O ATOM 0 H ASP A 55 173.772 2.667 15.919 1.00 0.00 H new ATOM 0 HA ASP A 55 171.887 1.897 18.027 1.00 0.00 H new ATOM 0 HB2 ASP A 55 172.247 4.191 16.121 1.00 0.00 H new ATOM 0 HB3 ASP A 55 170.615 3.822 16.641 1.00 0.00 H new ATOM 846 N TRP A 56 171.480 0.168 15.858 1.00 0.00 N ATOM 847 CA TRP A 56 170.686 -0.713 15.009 1.00 0.00 C ATOM 848 C TRP A 56 169.803 -1.629 15.850 1.00 0.00 C ATOM 849 O TRP A 56 168.725 -2.034 15.416 1.00 0.00 O ATOM 850 CB TRP A 56 171.596 -1.546 14.106 1.00 0.00 C ATOM 851 CG TRP A 56 171.711 -0.993 12.720 1.00 0.00 C ATOM 852 CD1 TRP A 56 172.845 -0.546 12.109 1.00 0.00 C ATOM 853 CD2 TRP A 56 170.649 -0.824 11.775 1.00 0.00 C ATOM 854 NE1 TRP A 56 172.555 -0.108 10.839 1.00 0.00 N ATOM 855 CE2 TRP A 56 171.213 -0.269 10.611 1.00 0.00 C ATOM 856 CE3 TRP A 56 169.277 -1.088 11.800 1.00 0.00 C ATOM 857 CZ2 TRP A 56 170.451 0.026 9.483 1.00 0.00 C ATOM 858 CZ3 TRP A 56 168.522 -0.796 10.680 1.00 0.00 C ATOM 859 CH2 TRP A 56 169.110 -0.244 9.535 1.00 0.00 C ATOM 0 H TRP A 56 172.322 -0.261 16.242 1.00 0.00 H new ATOM 0 HA TRP A 56 170.043 -0.092 14.386 1.00 0.00 H new ATOM 0 HB2 TRP A 56 172.589 -1.602 14.552 1.00 0.00 H new ATOM 0 HB3 TRP A 56 171.212 -2.565 14.054 1.00 0.00 H new ATOM 0 HD1 TRP A 56 173.827 -0.537 12.557 1.00 0.00 H new ATOM 0 HE1 TRP A 56 173.228 0.274 10.175 1.00 0.00 H new ATOM 0 HE3 TRP A 56 168.815 -1.513 12.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 170.902 0.452 8.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 167.461 -0.997 10.688 1.00 0.00 H new ATOM 0 HH2 TRP A 56 168.493 -0.027 8.676 1.00 0.00 H new ATOM 870 N GLU A 57 170.270 -1.955 17.052 1.00 0.00 N ATOM 871 CA GLU A 57 169.525 -2.827 17.955 1.00 0.00 C ATOM 872 C GLU A 57 168.255 -2.140 18.457 1.00 0.00 C ATOM 873 O GLU A 57 168.087 -1.919 19.657 1.00 0.00 O ATOM 874 CB GLU A 57 170.402 -3.237 19.140 1.00 0.00 C ATOM 875 CG GLU A 57 171.490 -4.234 18.775 1.00 0.00 C ATOM 876 CD GLU A 57 171.970 -5.036 19.969 1.00 0.00 C ATOM 877 OE1 GLU A 57 172.509 -4.425 20.916 1.00 0.00 O ATOM 878 OE2 GLU A 57 171.808 -6.274 19.957 1.00 0.00 O ATOM 0 H GLU A 57 171.162 -1.628 17.424 1.00 0.00 H new ATOM 0 HA GLU A 57 169.235 -3.719 17.400 1.00 0.00 H new ATOM 0 HB2 GLU A 57 170.865 -2.346 19.564 1.00 0.00 H new ATOM 0 HB3 GLU A 57 169.771 -3.669 19.916 1.00 0.00 H new ATOM 0 HG2 GLU A 57 171.112 -4.915 18.012 1.00 0.00 H new ATOM 0 HG3 GLU A 57 172.334 -3.701 18.337 1.00 0.00 H new ATOM 885 N GLU A 58 167.366 -1.800 17.528 1.00 0.00 N ATOM 886 CA GLU A 58 166.115 -1.137 17.862 1.00 0.00 C ATOM 887 C GLU A 58 165.124 -1.251 16.707 1.00 0.00 C ATOM 888 O GLU A 58 163.953 -1.572 16.908 1.00 0.00 O ATOM 889 CB GLU A 58 166.380 0.333 18.179 1.00 0.00 C ATOM 890 CG GLU A 58 166.363 0.650 19.666 1.00 0.00 C ATOM 891 CD GLU A 58 164.961 0.871 20.199 1.00 0.00 C ATOM 892 OE1 GLU A 58 164.323 -0.116 20.619 1.00 0.00 O ATOM 893 OE2 GLU A 58 164.501 2.033 20.195 1.00 0.00 O ATOM 0 H GLU A 58 167.493 -1.976 16.531 1.00 0.00 H new ATOM 0 HA GLU A 58 165.683 -1.623 18.737 1.00 0.00 H new ATOM 0 HB2 GLU A 58 167.349 0.615 17.767 1.00 0.00 H new ATOM 0 HB3 GLU A 58 165.630 0.945 17.677 1.00 0.00 H new ATOM 0 HG2 GLU A 58 166.831 -0.168 20.213 1.00 0.00 H new ATOM 0 HG3 GLU A 58 166.963 1.541 19.851 1.00 0.00 H new ATOM 900 N GLU A 59 165.606 -0.986 15.496 1.00 0.00 N ATOM 901 CA GLU A 59 164.770 -1.057 14.303 1.00 0.00 C ATOM 902 C GLU A 59 164.519 -2.507 13.897 1.00 0.00 C ATOM 903 O GLU A 59 163.451 -3.059 14.159 1.00 0.00 O ATOM 904 CB GLU A 59 165.428 -0.302 13.145 1.00 0.00 C ATOM 905 CG GLU A 59 165.307 1.210 13.248 1.00 0.00 C ATOM 906 CD GLU A 59 163.879 1.668 13.471 1.00 0.00 C ATOM 907 OE1 GLU A 59 163.412 1.614 14.629 1.00 0.00 O ATOM 908 OE2 GLU A 59 163.228 2.082 12.489 1.00 0.00 O ATOM 0 H GLU A 59 166.574 -0.720 15.315 1.00 0.00 H new ATOM 0 HA GLU A 59 163.813 -0.591 14.536 1.00 0.00 H new ATOM 0 HB2 GLU A 59 166.484 -0.570 13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 59 164.978 -0.630 12.208 1.00 0.00 H new ATOM 0 HG2 GLU A 59 165.931 1.565 14.068 1.00 0.00 H new ATOM 0 HG3 GLU A 59 165.692 1.664 12.335 1.00 0.00 H new ATOM 915 N ILE A 60 165.511 -3.115 13.253 1.00 0.00 N ATOM 916 CA ILE A 60 165.400 -4.499 12.807 1.00 0.00 C ATOM 917 C ILE A 60 165.451 -5.470 13.983 1.00 0.00 C ATOM 918 O ILE A 60 164.880 -6.559 13.925 1.00 0.00 O ATOM 919 CB ILE A 60 166.518 -4.860 11.808 1.00 0.00 C ATOM 920 CG1 ILE A 60 167.891 -4.523 12.393 1.00 0.00 C ATOM 921 CG2 ILE A 60 166.305 -4.131 10.489 1.00 0.00 C ATOM 922 CD1 ILE A 60 169.045 -4.959 11.516 1.00 0.00 C ATOM 0 H ILE A 60 166.401 -2.670 13.029 1.00 0.00 H new ATOM 0 HA ILE A 60 164.434 -4.590 12.311 1.00 0.00 H new ATOM 0 HB ILE A 60 166.481 -5.933 11.620 1.00 0.00 H new ATOM 0 HG12 ILE A 60 167.954 -3.447 12.554 1.00 0.00 H new ATOM 0 HG13 ILE A 60 167.988 -4.998 13.369 1.00 0.00 H new ATOM 0 HG21 ILE A 60 167.102 -4.396 9.794 1.00 0.00 H new ATOM 0 HG22 ILE A 60 165.343 -4.419 10.065 1.00 0.00 H new ATOM 0 HG23 ILE A 60 166.317 -3.055 10.662 1.00 0.00 H new ATOM 0 HD11 ILE A 60 169.987 -4.688 11.993 1.00 0.00 H new ATOM 0 HD12 ILE A 60 169.007 -6.039 11.375 1.00 0.00 H new ATOM 0 HD13 ILE A 60 168.973 -4.464 10.547 1.00 0.00 H new ATOM 934 N GLY A 61 166.138 -5.070 15.048 1.00 0.00 N ATOM 935 CA GLY A 61 166.249 -5.921 16.220 1.00 0.00 C ATOM 936 C GLY A 61 167.199 -7.083 16.005 1.00 0.00 C ATOM 937 O GLY A 61 166.768 -8.200 15.721 1.00 0.00 O ATOM 0 H GLY A 61 166.619 -4.174 15.121 1.00 0.00 H new ATOM 0 HA2 GLY A 61 166.593 -5.326 17.066 1.00 0.00 H new ATOM 0 HA3 GLY A 61 165.263 -6.305 16.481 1.00 0.00 H new ATOM 941 N VAL A 62 168.494 -6.818 16.152 1.00 0.00 N ATOM 942 CA VAL A 62 169.527 -7.841 15.984 1.00 0.00 C ATOM 943 C VAL A 62 170.907 -7.203 15.985 1.00 0.00 C ATOM 944 O VAL A 62 171.082 -6.084 15.504 1.00 0.00 O ATOM 945 CB VAL A 62 169.370 -8.660 14.681 1.00 0.00 C ATOM 946 CG1 VAL A 62 168.718 -10.000 14.974 1.00 0.00 C ATOM 947 CG2 VAL A 62 168.590 -7.889 13.623 1.00 0.00 C ATOM 0 H VAL A 62 168.857 -5.895 16.389 1.00 0.00 H new ATOM 0 HA VAL A 62 169.411 -8.524 16.826 1.00 0.00 H new ATOM 0 HB VAL A 62 170.366 -8.842 14.277 1.00 0.00 H new ATOM 0 HG11 VAL A 62 168.614 -10.565 14.047 1.00 0.00 H new ATOM 0 HG12 VAL A 62 169.338 -10.561 15.673 1.00 0.00 H new ATOM 0 HG13 VAL A 62 167.733 -9.837 15.412 1.00 0.00 H new ATOM 0 HG21 VAL A 62 168.500 -8.496 12.722 1.00 0.00 H new ATOM 0 HG22 VAL A 62 167.596 -7.654 14.003 1.00 0.00 H new ATOM 0 HG23 VAL A 62 169.115 -6.964 13.386 1.00 0.00 H new ATOM 957 N LEU A 63 171.889 -7.916 16.523 1.00 0.00 N ATOM 958 CA LEU A 63 173.253 -7.406 16.576 1.00 0.00 C ATOM 959 C LEU A 63 173.877 -7.390 15.186 1.00 0.00 C ATOM 960 O LEU A 63 174.110 -8.441 14.588 1.00 0.00 O ATOM 961 CB LEU A 63 174.102 -8.257 17.523 1.00 0.00 C ATOM 962 CG LEU A 63 174.154 -9.748 17.182 1.00 0.00 C ATOM 963 CD1 LEU A 63 175.402 -10.068 16.373 1.00 0.00 C ATOM 964 CD2 LEU A 63 174.110 -10.588 18.450 1.00 0.00 C ATOM 0 H LEU A 63 171.767 -8.845 16.927 1.00 0.00 H new ATOM 0 HA LEU A 63 173.221 -6.384 16.952 1.00 0.00 H new ATOM 0 HB2 LEU A 63 175.119 -7.865 17.526 1.00 0.00 H new ATOM 0 HB3 LEU A 63 173.714 -8.145 18.535 1.00 0.00 H new ATOM 0 HG LEU A 63 173.281 -9.992 16.577 1.00 0.00 H new ATOM 0 HD11 LEU A 63 175.422 -11.133 16.140 1.00 0.00 H new ATOM 0 HD12 LEU A 63 175.392 -9.494 15.446 1.00 0.00 H new ATOM 0 HD13 LEU A 63 176.288 -9.807 16.952 1.00 0.00 H new ATOM 0 HD21 LEU A 63 174.148 -11.645 18.188 1.00 0.00 H new ATOM 0 HD22 LEU A 63 174.964 -10.340 19.081 1.00 0.00 H new ATOM 0 HD23 LEU A 63 173.187 -10.381 18.991 1.00 0.00 H new ATOM 976 N ILE A 64 174.142 -6.193 14.675 1.00 0.00 N ATOM 977 CA ILE A 64 174.735 -6.042 13.353 1.00 0.00 C ATOM 978 C ILE A 64 176.177 -5.556 13.448 1.00 0.00 C ATOM 979 O ILE A 64 176.428 -4.381 13.713 1.00 0.00 O ATOM 980 CB ILE A 64 173.930 -5.056 12.486 1.00 0.00 C ATOM 981 CG1 ILE A 64 172.441 -5.405 12.527 1.00 0.00 C ATOM 982 CG2 ILE A 64 174.443 -5.065 11.054 1.00 0.00 C ATOM 983 CD1 ILE A 64 172.139 -6.818 12.076 1.00 0.00 C ATOM 0 H ILE A 64 173.955 -5.314 15.157 1.00 0.00 H new ATOM 0 HA ILE A 64 174.717 -7.026 12.885 1.00 0.00 H new ATOM 0 HB ILE A 64 174.060 -4.052 12.890 1.00 0.00 H new ATOM 0 HG12 ILE A 64 172.072 -5.270 13.544 1.00 0.00 H new ATOM 0 HG13 ILE A 64 171.895 -4.706 11.894 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.863 -4.363 10.455 1.00 0.00 H new ATOM 0 HG22 ILE A 64 175.493 -4.772 11.042 1.00 0.00 H new ATOM 0 HG23 ILE A 64 174.341 -6.067 10.637 1.00 0.00 H new ATOM 0 HD11 ILE A 64 171.065 -6.996 12.131 1.00 0.00 H new ATOM 0 HD12 ILE A 64 172.477 -6.952 11.048 1.00 0.00 H new ATOM 0 HD13 ILE A 64 172.657 -7.525 12.723 1.00 0.00 H new ATOM 995 N ASP A 65 177.120 -6.466 13.222 1.00 0.00 N ATOM 996 CA ASP A 65 178.539 -6.129 13.275 1.00 0.00 C ATOM 997 C ASP A 65 178.854 -4.974 12.325 1.00 0.00 C ATOM 998 O ASP A 65 178.879 -5.155 11.109 1.00 0.00 O ATOM 999 CB ASP A 65 179.387 -7.348 12.908 1.00 0.00 C ATOM 1000 CG ASP A 65 179.503 -8.338 14.051 1.00 0.00 C ATOM 1001 OD1 ASP A 65 180.278 -8.068 14.993 1.00 0.00 O ATOM 1002 OD2 ASP A 65 178.820 -9.382 14.003 1.00 0.00 O ATOM 0 H ASP A 65 176.927 -7.443 13.000 1.00 0.00 H new ATOM 0 HA ASP A 65 178.779 -5.821 14.293 1.00 0.00 H new ATOM 0 HB2 ASP A 65 178.948 -7.846 12.043 1.00 0.00 H new ATOM 0 HB3 ASP A 65 180.384 -7.019 12.614 1.00 0.00 H new ATOM 1007 N PRO A 66 179.096 -3.765 12.859 1.00 0.00 N ATOM 1008 CA PRO A 66 179.402 -2.596 12.032 1.00 0.00 C ATOM 1009 C PRO A 66 180.659 -2.794 11.193 1.00 0.00 C ATOM 1010 O PRO A 66 181.517 -3.612 11.523 1.00 0.00 O ATOM 1011 CB PRO A 66 179.605 -1.464 13.045 1.00 0.00 C ATOM 1012 CG PRO A 66 179.846 -2.141 14.351 1.00 0.00 C ATOM 1013 CD PRO A 66 179.092 -3.438 14.295 1.00 0.00 C ATOM 0 HA PRO A 66 178.607 -2.394 11.314 1.00 0.00 H new ATOM 0 HB2 PRO A 66 180.450 -0.835 12.767 1.00 0.00 H new ATOM 0 HB3 PRO A 66 178.729 -0.818 13.093 1.00 0.00 H new ATOM 0 HG2 PRO A 66 180.910 -2.316 14.508 1.00 0.00 H new ATOM 0 HG3 PRO A 66 179.498 -1.524 15.180 1.00 0.00 H new ATOM 0 HD2 PRO A 66 179.579 -4.213 14.886 1.00 0.00 H new ATOM 0 HD3 PRO A 66 178.078 -3.332 14.681 1.00 0.00 H new ATOM 1021 N GLU A 67 180.757 -2.036 10.104 1.00 0.00 N ATOM 1022 CA GLU A 67 181.906 -2.107 9.203 1.00 0.00 C ATOM 1023 C GLU A 67 181.878 -3.359 8.321 1.00 0.00 C ATOM 1024 O GLU A 67 182.679 -3.478 7.393 1.00 0.00 O ATOM 1025 CB GLU A 67 183.218 -2.051 9.995 1.00 0.00 C ATOM 1026 CG GLU A 67 184.045 -0.811 9.701 1.00 0.00 C ATOM 1027 CD GLU A 67 184.642 -0.197 10.952 1.00 0.00 C ATOM 1028 OE1 GLU A 67 183.871 0.136 11.876 1.00 0.00 O ATOM 1029 OE2 GLU A 67 185.881 -0.047 11.007 1.00 0.00 O ATOM 0 H GLU A 67 180.048 -1.359 9.822 1.00 0.00 H new ATOM 0 HA GLU A 67 181.845 -1.241 8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 67 182.993 -2.085 11.061 1.00 0.00 H new ATOM 0 HB3 GLU A 67 183.810 -2.937 9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 67 184.847 -1.069 9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 67 183.419 -0.072 9.201 1.00 0.00 H new ATOM 1036 N GLU A 68 180.965 -4.291 8.597 1.00 0.00 N ATOM 1037 CA GLU A 68 180.874 -5.511 7.799 1.00 0.00 C ATOM 1038 C GLU A 68 179.499 -5.651 7.139 1.00 0.00 C ATOM 1039 O GLU A 68 179.111 -6.744 6.726 1.00 0.00 O ATOM 1040 CB GLU A 68 181.204 -6.743 8.655 1.00 0.00 C ATOM 1041 CG GLU A 68 180.075 -7.208 9.560 1.00 0.00 C ATOM 1042 CD GLU A 68 180.073 -8.712 9.759 1.00 0.00 C ATOM 1043 OE1 GLU A 68 180.887 -9.204 10.569 1.00 0.00 O ATOM 1044 OE2 GLU A 68 179.258 -9.396 9.106 1.00 0.00 O ATOM 0 H GLU A 68 180.287 -4.226 9.357 1.00 0.00 H new ATOM 0 HA GLU A 68 181.612 -5.442 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 68 181.483 -7.564 7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 68 182.075 -6.518 9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 68 180.164 -6.717 10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 68 179.121 -6.900 9.133 1.00 0.00 H new ATOM 1051 N TYR A 69 178.775 -4.537 7.026 1.00 0.00 N ATOM 1052 CA TYR A 69 177.455 -4.545 6.395 1.00 0.00 C ATOM 1053 C TYR A 69 177.237 -3.292 5.557 1.00 0.00 C ATOM 1054 O TYR A 69 177.612 -2.189 5.957 1.00 0.00 O ATOM 1055 CB TYR A 69 176.338 -4.659 7.439 1.00 0.00 C ATOM 1056 CG TYR A 69 176.277 -6.003 8.127 1.00 0.00 C ATOM 1057 CD1 TYR A 69 175.780 -7.127 7.475 1.00 0.00 C ATOM 1058 CD2 TYR A 69 176.728 -6.147 9.430 1.00 0.00 C ATOM 1059 CE1 TYR A 69 175.735 -8.353 8.105 1.00 0.00 C ATOM 1060 CE2 TYR A 69 176.689 -7.373 10.066 1.00 0.00 C ATOM 1061 CZ TYR A 69 176.192 -8.472 9.400 1.00 0.00 C ATOM 1062 OH TYR A 69 176.152 -9.695 10.031 1.00 0.00 O ATOM 0 H TYR A 69 179.078 -3.623 7.361 1.00 0.00 H new ATOM 0 HA TYR A 69 177.420 -5.418 5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 69 176.477 -3.883 8.191 1.00 0.00 H new ATOM 0 HB3 TYR A 69 175.381 -4.466 6.955 1.00 0.00 H new ATOM 0 HD1 TYR A 69 175.424 -7.038 6.459 1.00 0.00 H new ATOM 0 HD2 TYR A 69 177.116 -5.287 9.956 1.00 0.00 H new ATOM 0 HE1 TYR A 69 175.344 -9.216 7.586 1.00 0.00 H new ATOM 0 HE2 TYR A 69 177.046 -7.469 11.081 1.00 0.00 H new ATOM 0 HH TYR A 69 175.689 -10.343 9.460 1.00 0.00 H new ATOM 1072 N ALA A 70 176.617 -3.471 4.396 1.00 0.00 N ATOM 1073 CA ALA A 70 176.332 -2.360 3.499 1.00 0.00 C ATOM 1074 C ALA A 70 174.956 -1.779 3.790 1.00 0.00 C ATOM 1075 O ALA A 70 173.939 -2.449 3.605 1.00 0.00 O ATOM 1076 CB ALA A 70 176.419 -2.814 2.049 1.00 0.00 C ATOM 0 H ALA A 70 176.302 -4.379 4.054 1.00 0.00 H new ATOM 0 HA ALA A 70 177.077 -1.582 3.665 1.00 0.00 H new ATOM 0 HB1 ALA A 70 176.203 -1.972 1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 70 177.422 -3.187 1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 70 175.693 -3.608 1.872 1.00 0.00 H new ATOM 1082 N GLU A 71 174.927 -0.536 4.254 1.00 0.00 N ATOM 1083 CA GLU A 71 173.670 0.123 4.576 1.00 0.00 C ATOM 1084 C GLU A 71 173.201 0.997 3.420 1.00 0.00 C ATOM 1085 O GLU A 71 173.956 1.820 2.902 1.00 0.00 O ATOM 1086 CB GLU A 71 173.826 0.972 5.843 1.00 0.00 C ATOM 1087 CG GLU A 71 173.870 0.170 7.140 1.00 0.00 C ATOM 1088 CD GLU A 71 174.449 -1.223 6.966 1.00 0.00 C ATOM 1089 OE1 GLU A 71 173.818 -2.045 6.269 1.00 0.00 O ATOM 1090 OE2 GLU A 71 175.532 -1.490 7.528 1.00 0.00 O ATOM 0 H GLU A 71 175.758 0.034 4.415 1.00 0.00 H new ATOM 0 HA GLU A 71 172.919 -0.647 4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 71 174.741 1.558 5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 71 172.998 1.679 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 71 174.464 0.713 7.875 1.00 0.00 H new ATOM 0 HG3 GLU A 71 172.861 0.089 7.543 1.00 0.00 H new ATOM 1097 N VAL A 72 171.948 0.819 3.025 1.00 0.00 N ATOM 1098 CA VAL A 72 171.373 1.595 1.938 1.00 0.00 C ATOM 1099 C VAL A 72 169.977 2.083 2.309 1.00 0.00 C ATOM 1100 O VAL A 72 169.138 1.303 2.760 1.00 0.00 O ATOM 1101 CB VAL A 72 171.306 0.776 0.630 1.00 0.00 C ATOM 1102 CG1 VAL A 72 170.182 -0.248 0.680 1.00 0.00 C ATOM 1103 CG2 VAL A 72 171.142 1.698 -0.569 1.00 0.00 C ATOM 0 H VAL A 72 171.310 0.142 3.443 1.00 0.00 H new ATOM 0 HA VAL A 72 172.024 2.454 1.772 1.00 0.00 H new ATOM 0 HB VAL A 72 172.246 0.234 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 72 170.159 -0.809 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 72 170.351 -0.933 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 72 169.230 0.264 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 72 171.097 1.104 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 72 170.221 2.272 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 72 171.990 2.380 -0.622 1.00 0.00 H new ATOM 1113 N TRP A 73 169.732 3.373 2.117 1.00 0.00 N ATOM 1114 CA TRP A 73 168.437 3.957 2.432 1.00 0.00 C ATOM 1115 C TRP A 73 167.753 4.442 1.163 1.00 0.00 C ATOM 1116 O TRP A 73 168.386 5.070 0.318 1.00 0.00 O ATOM 1117 CB TRP A 73 168.606 5.113 3.421 1.00 0.00 C ATOM 1118 CG TRP A 73 168.643 4.661 4.847 1.00 0.00 C ATOM 1119 CD1 TRP A 73 168.919 3.403 5.295 1.00 0.00 C ATOM 1120 CD2 TRP A 73 168.398 5.457 6.012 1.00 0.00 C ATOM 1121 NE1 TRP A 73 168.847 3.362 6.665 1.00 0.00 N ATOM 1122 CE2 TRP A 73 168.531 4.611 7.129 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.076 6.801 6.220 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 168.353 5.064 8.432 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 167.900 7.251 7.516 1.00 0.00 C ATOM 1126 CH2 TRP A 73 168.038 6.384 8.608 1.00 0.00 C ATOM 0 H TRP A 73 170.414 4.034 1.745 1.00 0.00 H new ATOM 0 HA TRP A 73 167.811 3.192 2.892 1.00 0.00 H new ATOM 0 HB2 TRP A 73 169.527 5.649 3.191 1.00 0.00 H new ATOM 0 HB3 TRP A 73 167.786 5.819 3.290 1.00 0.00 H new ATOM 0 HD1 TRP A 73 169.159 2.561 4.663 1.00 0.00 H new ATOM 0 HE1 TRP A 73 169.003 2.536 7.243 1.00 0.00 H new ATOM 0 HE3 TRP A 73 167.967 7.476 5.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 168.460 4.397 9.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 167.652 8.288 7.689 1.00 0.00 H new ATOM 0 HH2 TRP A 73 167.893 6.765 9.608 1.00 0.00 H new ATOM 1137 N VAL A 74 166.462 4.150 1.034 1.00 0.00 N ATOM 1138 CA VAL A 74 165.702 4.562 -0.140 1.00 0.00 C ATOM 1139 C VAL A 74 164.435 5.309 0.261 1.00 0.00 C ATOM 1140 O VAL A 74 163.509 4.728 0.826 1.00 0.00 O ATOM 1141 CB VAL A 74 165.305 3.359 -1.013 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.735 3.841 -2.338 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.494 2.432 -1.231 1.00 0.00 C ATOM 0 H VAL A 74 165.922 3.631 1.726 1.00 0.00 H new ATOM 0 HA VAL A 74 166.353 5.221 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 74 164.534 2.789 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 74 164.457 2.982 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.854 4.455 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 74 165.485 4.432 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 74 166.189 1.589 -1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 74 167.295 2.978 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 74 166.850 2.065 -0.269 1.00 0.00 H new ATOM 1153 N GLY A 75 164.411 6.602 -0.026 1.00 0.00 N ATOM 1154 CA GLY A 75 163.259 7.412 0.323 1.00 0.00 C ATOM 1155 C GLY A 75 162.962 8.502 -0.686 1.00 0.00 C ATOM 1156 O GLY A 75 162.931 8.256 -1.891 1.00 0.00 O ATOM 0 H GLY A 75 165.166 7.105 -0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 75 162.386 6.767 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 75 163.426 7.867 1.299 1.00 0.00 H new ATOM 1160 N LEU A 76 162.754 9.714 -0.182 1.00 0.00 N ATOM 1161 CA LEU A 76 162.463 10.869 -1.034 1.00 0.00 C ATOM 1162 C LEU A 76 163.235 12.086 -0.534 1.00 0.00 C ATOM 1163 O LEU A 76 163.643 12.133 0.627 1.00 0.00 O ATOM 1164 CB LEU A 76 160.948 11.173 -1.073 1.00 0.00 C ATOM 1165 CG LEU A 76 160.289 11.044 -2.450 1.00 0.00 C ATOM 1166 CD1 LEU A 76 160.615 9.700 -3.083 1.00 0.00 C ATOM 1167 CD2 LEU A 76 158.783 11.227 -2.338 1.00 0.00 C ATOM 0 H LEU A 76 162.781 9.926 0.815 1.00 0.00 H new ATOM 0 HA LEU A 76 162.779 10.633 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 76 160.441 10.500 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 76 160.788 12.187 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 76 160.688 11.829 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 76 160.136 9.632 -4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 76 161.694 9.606 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 76 160.248 8.898 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 76 158.331 11.132 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 76 158.372 10.465 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 76 158.566 12.215 -1.933 1.00 0.00 H new ATOM 1179 N VAL A 77 163.442 13.067 -1.407 1.00 0.00 N ATOM 1180 CA VAL A 77 164.175 14.271 -1.031 1.00 0.00 C ATOM 1181 C VAL A 77 163.659 15.492 -1.785 1.00 0.00 C ATOM 1182 O VAL A 77 162.706 15.400 -2.558 1.00 0.00 O ATOM 1183 CB VAL A 77 165.685 14.116 -1.302 1.00 0.00 C ATOM 1184 CG1 VAL A 77 166.267 12.994 -0.456 1.00 0.00 C ATOM 1185 CG2 VAL A 77 165.943 13.868 -2.781 1.00 0.00 C ATOM 0 H VAL A 77 163.115 13.053 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 77 164.016 14.415 0.038 1.00 0.00 H new ATOM 0 HB VAL A 77 166.181 15.046 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 77 167.333 12.900 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 77 166.119 13.220 0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 77 165.766 12.057 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 77 167.014 13.762 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 77 165.434 12.955 -3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 77 165.566 14.709 -3.362 1.00 0.00 H new ATOM 1195 N ASN A 78 164.297 16.634 -1.553 1.00 0.00 N ATOM 1196 CA ASN A 78 163.908 17.876 -2.210 1.00 0.00 C ATOM 1197 C ASN A 78 165.050 18.417 -3.065 1.00 0.00 C ATOM 1198 O ASN A 78 166.037 17.722 -3.310 1.00 0.00 O ATOM 1199 CB ASN A 78 163.494 18.917 -1.168 1.00 0.00 C ATOM 1200 CG ASN A 78 162.502 18.364 -0.163 1.00 0.00 C ATOM 1201 OD1 ASN A 78 161.397 17.959 -0.523 1.00 0.00 O ATOM 1202 ND2 ASN A 78 162.893 18.345 1.106 1.00 0.00 N ATOM 0 H ASN A 78 165.087 16.725 -0.914 1.00 0.00 H new ATOM 0 HA ASN A 78 163.059 17.667 -2.861 1.00 0.00 H new ATOM 0 HB2 ASN A 78 164.380 19.273 -0.642 1.00 0.00 H new ATOM 0 HB3 ASN A 78 163.055 19.778 -1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 78 162.268 17.984 1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 78 163.818 18.691 1.360 1.00 0.00 H new ATOM 1209 N GLU A 79 164.911 19.658 -3.517 1.00 0.00 N ATOM 1210 CA GLU A 79 165.932 20.289 -4.345 1.00 0.00 C ATOM 1211 C GLU A 79 167.163 20.648 -3.518 1.00 0.00 C ATOM 1212 O GLU A 79 168.279 20.692 -4.037 1.00 0.00 O ATOM 1213 CB GLU A 79 165.370 21.545 -5.013 1.00 0.00 C ATOM 1214 CG GLU A 79 165.898 21.775 -6.420 1.00 0.00 C ATOM 1215 CD GLU A 79 166.473 23.165 -6.608 1.00 0.00 C ATOM 1216 OE1 GLU A 79 167.669 23.359 -6.305 1.00 0.00 O ATOM 1217 OE2 GLU A 79 165.727 24.060 -7.058 1.00 0.00 O ATOM 0 H GLU A 79 164.101 20.247 -3.324 1.00 0.00 H new ATOM 0 HA GLU A 79 166.230 19.576 -5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 79 164.283 21.471 -5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 79 165.610 22.412 -4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 79 166.667 21.035 -6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 79 165.091 21.620 -7.136 1.00 0.00 H new ATOM 1224 N GLN A 80 166.953 20.905 -2.231 1.00 0.00 N ATOM 1225 CA GLN A 80 168.046 21.261 -1.333 1.00 0.00 C ATOM 1226 C GLN A 80 169.015 20.095 -1.143 1.00 0.00 C ATOM 1227 O GLN A 80 170.126 20.278 -0.645 1.00 0.00 O ATOM 1228 CB GLN A 80 167.493 21.703 0.024 1.00 0.00 C ATOM 1229 CG GLN A 80 166.462 20.747 0.600 1.00 0.00 C ATOM 1230 CD GLN A 80 166.182 21.005 2.068 1.00 0.00 C ATOM 1231 OE1 GLN A 80 165.045 21.268 2.458 1.00 0.00 O ATOM 1232 NE2 GLN A 80 167.222 20.932 2.891 1.00 0.00 N ATOM 0 H GLN A 80 166.036 20.873 -1.786 1.00 0.00 H new ATOM 0 HA GLN A 80 168.594 22.087 -1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 80 168.319 21.802 0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 80 167.043 22.690 -0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 80 165.534 20.837 0.036 1.00 0.00 H new ATOM 0 HG3 GLN A 80 166.813 19.722 0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 80 168.148 20.711 2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 80 167.095 21.097 3.889 1.00 0.00 H new ATOM 1241 N ASP A 81 168.592 18.897 -1.541 1.00 0.00 N ATOM 1242 CA ASP A 81 169.426 17.706 -1.411 1.00 0.00 C ATOM 1243 C ASP A 81 169.591 17.314 0.056 1.00 0.00 C ATOM 1244 O ASP A 81 170.660 17.486 0.642 1.00 0.00 O ATOM 1245 CB ASP A 81 170.798 17.936 -2.057 1.00 0.00 C ATOM 1246 CG ASP A 81 170.981 17.126 -3.325 1.00 0.00 C ATOM 1247 OD1 ASP A 81 170.666 15.917 -3.308 1.00 0.00 O ATOM 1248 OD2 ASP A 81 171.438 17.700 -4.336 1.00 0.00 O ATOM 0 H ASP A 81 167.676 18.726 -1.956 1.00 0.00 H new ATOM 0 HA ASP A 81 168.928 16.887 -1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 81 170.916 18.995 -2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 81 171.581 17.674 -1.345 1.00 0.00 H new ATOM 1253 N GLU A 82 168.522 16.784 0.640 1.00 0.00 N ATOM 1254 CA GLU A 82 168.539 16.360 2.035 1.00 0.00 C ATOM 1255 C GLU A 82 167.758 15.061 2.209 1.00 0.00 C ATOM 1256 O GLU A 82 166.795 14.807 1.488 1.00 0.00 O ATOM 1257 CB GLU A 82 167.949 17.452 2.931 1.00 0.00 C ATOM 1258 CG GLU A 82 168.837 17.818 4.108 1.00 0.00 C ATOM 1259 CD GLU A 82 169.897 18.839 3.743 1.00 0.00 C ATOM 1260 OE1 GLU A 82 170.929 18.441 3.164 1.00 0.00 O ATOM 1261 OE2 GLU A 82 169.693 20.036 4.036 1.00 0.00 O ATOM 0 H GLU A 82 167.630 16.637 0.167 1.00 0.00 H new ATOM 0 HA GLU A 82 169.574 16.186 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 82 167.769 18.344 2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 82 166.981 17.119 3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 82 168.220 18.213 4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 82 169.320 16.918 4.488 1.00 0.00 H new ATOM 1268 N MET A 83 168.177 14.242 3.169 1.00 0.00 N ATOM 1269 CA MET A 83 167.511 12.970 3.428 1.00 0.00 C ATOM 1270 C MET A 83 166.998 12.901 4.863 1.00 0.00 C ATOM 1271 O MET A 83 167.774 12.730 5.803 1.00 0.00 O ATOM 1272 CB MET A 83 168.466 11.805 3.160 1.00 0.00 C ATOM 1273 CG MET A 83 167.757 10.477 2.939 1.00 0.00 C ATOM 1274 SD MET A 83 168.290 9.644 1.429 1.00 0.00 S ATOM 1275 CE MET A 83 166.850 8.641 1.068 1.00 0.00 C ATOM 0 H MET A 83 168.972 14.435 3.778 1.00 0.00 H new ATOM 0 HA MET A 83 166.658 12.895 2.754 1.00 0.00 H new ATOM 0 HB2 MET A 83 169.070 12.036 2.283 1.00 0.00 H new ATOM 0 HB3 MET A 83 169.151 11.706 4.002 1.00 0.00 H new ATOM 0 HG2 MET A 83 167.941 9.825 3.793 1.00 0.00 H new ATOM 0 HG3 MET A 83 166.681 10.647 2.895 1.00 0.00 H new ATOM 0 HE1 MET A 83 167.164 7.708 0.600 1.00 0.00 H new ATOM 0 HE2 MET A 83 166.318 8.421 1.994 1.00 0.00 H new ATOM 0 HE3 MET A 83 166.190 9.183 0.390 1.00 0.00 H new ATOM 1285 N ASP A 84 165.685 13.032 5.021 1.00 0.00 N ATOM 1286 CA ASP A 84 165.066 12.980 6.345 1.00 0.00 C ATOM 1287 C ASP A 84 163.794 12.127 6.341 1.00 0.00 C ATOM 1288 O ASP A 84 163.187 11.907 7.390 1.00 0.00 O ATOM 1289 CB ASP A 84 164.744 14.392 6.848 1.00 0.00 C ATOM 1290 CG ASP A 84 164.637 14.454 8.359 1.00 0.00 C ATOM 1291 OD1 ASP A 84 163.581 14.056 8.896 1.00 0.00 O ATOM 1292 OD2 ASP A 84 165.607 14.901 9.005 1.00 0.00 O ATOM 0 H ASP A 84 165.029 13.175 4.253 1.00 0.00 H new ATOM 0 HA ASP A 84 165.785 12.515 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 84 165.520 15.081 6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 84 163.806 14.728 6.405 1.00 0.00 H new ATOM 1297 N ASP A 85 163.390 11.650 5.165 1.00 0.00 N ATOM 1298 CA ASP A 85 162.194 10.829 5.042 1.00 0.00 C ATOM 1299 C ASP A 85 162.487 9.574 4.230 1.00 0.00 C ATOM 1300 O ASP A 85 162.333 9.559 3.008 1.00 0.00 O ATOM 1301 CB ASP A 85 161.065 11.626 4.386 1.00 0.00 C ATOM 1302 CG ASP A 85 160.271 12.437 5.392 1.00 0.00 C ATOM 1303 OD1 ASP A 85 159.787 11.847 6.380 1.00 0.00 O ATOM 1304 OD2 ASP A 85 160.135 13.662 5.191 1.00 0.00 O ATOM 0 H ASP A 85 163.876 11.820 4.285 1.00 0.00 H new ATOM 0 HA ASP A 85 161.880 10.531 6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 85 161.485 12.295 3.634 1.00 0.00 H new ATOM 0 HB3 ASP A 85 160.395 10.941 3.865 1.00 0.00 H new ATOM 1309 N VAL A 86 162.915 8.525 4.920 1.00 0.00 N ATOM 1310 CA VAL A 86 163.236 7.259 4.272 1.00 0.00 C ATOM 1311 C VAL A 86 162.006 6.358 4.202 1.00 0.00 C ATOM 1312 O VAL A 86 161.243 6.255 5.162 1.00 0.00 O ATOM 1313 CB VAL A 86 164.378 6.517 5.011 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.179 6.589 6.517 1.00 0.00 C ATOM 1315 CG2 VAL A 86 164.483 5.069 4.547 1.00 0.00 C ATOM 0 H VAL A 86 163.048 8.526 5.931 1.00 0.00 H new ATOM 0 HA VAL A 86 163.570 7.491 3.261 1.00 0.00 H new ATOM 0 HB VAL A 86 165.316 7.015 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 86 164.992 6.062 7.017 1.00 0.00 H new ATOM 0 HG12 VAL A 86 164.174 7.632 6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.229 6.125 6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.293 4.573 5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 86 163.544 4.553 4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 86 164.687 5.044 3.477 1.00 0.00 H new ATOM 1325 N PHE A 87 161.829 5.700 3.062 1.00 0.00 N ATOM 1326 CA PHE A 87 160.702 4.798 2.866 1.00 0.00 C ATOM 1327 C PHE A 87 161.078 3.394 3.316 1.00 0.00 C ATOM 1328 O PHE A 87 160.354 2.754 4.078 1.00 0.00 O ATOM 1329 CB PHE A 87 160.285 4.780 1.395 1.00 0.00 C ATOM 1330 CG PHE A 87 159.405 5.932 1.011 1.00 0.00 C ATOM 1331 CD1 PHE A 87 158.230 6.178 1.699 1.00 0.00 C ATOM 1332 CD2 PHE A 87 159.754 6.769 -0.036 1.00 0.00 C ATOM 1333 CE1 PHE A 87 157.418 7.238 1.353 1.00 0.00 C ATOM 1334 CE2 PHE A 87 158.946 7.832 -0.390 1.00 0.00 C ATOM 1335 CZ PHE A 87 157.776 8.069 0.305 1.00 0.00 C ATOM 0 H PHE A 87 162.453 5.775 2.259 1.00 0.00 H new ATOM 0 HA PHE A 87 159.862 5.152 3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.179 4.792 0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 87 159.762 3.847 1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 87 157.945 5.532 2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 87 160.668 6.588 -0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 87 156.504 7.420 1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 87 159.229 8.477 -1.209 1.00 0.00 H new ATOM 0 HZ PHE A 87 157.142 8.900 0.032 1.00 0.00 H new ATOM 1345 N ALA A 88 162.231 2.936 2.849 1.00 0.00 N ATOM 1346 CA ALA A 88 162.740 1.621 3.202 1.00 0.00 C ATOM 1347 C ALA A 88 164.238 1.705 3.459 1.00 0.00 C ATOM 1348 O ALA A 88 164.875 2.699 3.112 1.00 0.00 O ATOM 1349 CB ALA A 88 162.443 0.620 2.095 1.00 0.00 C ATOM 0 H ALA A 88 162.836 3.463 2.219 1.00 0.00 H new ATOM 0 HA ALA A 88 162.243 1.279 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 88 162.831 -0.359 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.366 0.554 1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 88 162.919 0.947 1.171 1.00 0.00 H new ATOM 1355 N LYS A 89 164.805 0.669 4.061 1.00 0.00 N ATOM 1356 CA LYS A 89 166.231 0.638 4.352 1.00 0.00 C ATOM 1357 C LYS A 89 166.722 -0.797 4.231 1.00 0.00 C ATOM 1358 O LYS A 89 166.052 -1.714 4.694 1.00 0.00 O ATOM 1359 CB LYS A 89 166.498 1.166 5.764 1.00 0.00 C ATOM 1360 CG LYS A 89 165.506 2.226 6.226 1.00 0.00 C ATOM 1361 CD LYS A 89 165.793 2.678 7.649 1.00 0.00 C ATOM 1362 CE LYS A 89 164.560 2.570 8.533 1.00 0.00 C ATOM 1363 NZ LYS A 89 164.332 3.813 9.321 1.00 0.00 N ATOM 0 H LYS A 89 164.297 -0.164 4.358 1.00 0.00 H new ATOM 0 HA LYS A 89 166.763 1.274 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 89 166.474 0.331 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 89 167.504 1.584 5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 89 165.550 3.084 5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 89 164.493 1.828 6.167 1.00 0.00 H new ATOM 0 HD2 LYS A 89 166.596 2.072 8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 89 166.145 3.710 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 89 163.686 2.367 7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 89 164.673 1.725 9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 163.483 3.699 9.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 165.155 3.993 9.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 164.199 4.615 8.673 1.00 0.00 H new ATOM 1377 N PHE A 90 167.865 -1.006 3.588 1.00 0.00 N ATOM 1378 CA PHE A 90 168.375 -2.362 3.407 1.00 0.00 C ATOM 1379 C PHE A 90 169.812 -2.522 3.890 1.00 0.00 C ATOM 1380 O PHE A 90 170.645 -1.630 3.733 1.00 0.00 O ATOM 1381 CB PHE A 90 168.282 -2.767 1.934 1.00 0.00 C ATOM 1382 CG PHE A 90 166.956 -2.449 1.302 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.561 -1.135 1.109 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.104 -3.466 0.901 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.342 -0.841 0.529 1.00 0.00 C ATOM 1386 CE2 PHE A 90 164.884 -3.178 0.320 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.502 -1.864 0.134 1.00 0.00 C ATOM 0 H PHE A 90 168.448 -0.270 3.189 1.00 0.00 H new ATOM 0 HA PHE A 90 167.752 -3.016 4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.071 -2.261 1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 90 168.468 -3.838 1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.214 -0.331 1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 90 166.397 -4.496 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 90 165.046 0.188 0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 90 164.230 -3.980 0.012 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.548 -1.637 -0.319 1.00 0.00 H new ATOM 1397 N LEU A 91 170.087 -3.696 4.451 1.00 0.00 N ATOM 1398 CA LEU A 91 171.415 -4.042 4.942 1.00 0.00 C ATOM 1399 C LEU A 91 171.793 -5.420 4.416 1.00 0.00 C ATOM 1400 O LEU A 91 171.053 -6.384 4.608 1.00 0.00 O ATOM 1401 CB LEU A 91 171.455 -4.039 6.472 1.00 0.00 C ATOM 1402 CG LEU A 91 170.530 -3.028 7.152 1.00 0.00 C ATOM 1403 CD1 LEU A 91 170.405 -3.337 8.636 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.045 -1.614 6.950 1.00 0.00 C ATOM 0 H LEU A 91 169.394 -4.434 4.578 1.00 0.00 H new ATOM 0 HA LEU A 91 172.127 -3.297 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 91 171.198 -5.037 6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 91 172.478 -3.841 6.791 1.00 0.00 H new ATOM 0 HG LEU A 91 169.543 -3.105 6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 91 169.744 -2.608 9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.993 -4.338 8.766 1.00 0.00 H new ATOM 0 HD13 LEU A 91 171.389 -3.287 9.102 1.00 0.00 H new ATOM 0 HD21 LEU A 91 170.374 -0.909 7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.043 -1.525 7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 91 171.089 -1.391 5.884 1.00 0.00 H new ATOM 1416 N ILE A 92 172.924 -5.512 3.729 1.00 0.00 N ATOM 1417 CA ILE A 92 173.353 -6.786 3.159 1.00 0.00 C ATOM 1418 C ILE A 92 174.801 -7.115 3.504 1.00 0.00 C ATOM 1419 O ILE A 92 175.661 -6.235 3.551 1.00 0.00 O ATOM 1420 CB ILE A 92 173.183 -6.801 1.620 1.00 0.00 C ATOM 1421 CG1 ILE A 92 173.393 -5.394 1.038 1.00 0.00 C ATOM 1422 CG2 ILE A 92 171.807 -7.342 1.254 1.00 0.00 C ATOM 1423 CD1 ILE A 92 172.809 -5.209 -0.347 1.00 0.00 C ATOM 0 H ILE A 92 173.556 -4.731 3.553 1.00 0.00 H new ATOM 0 HA ILE A 92 172.711 -7.547 3.603 1.00 0.00 H new ATOM 0 HB ILE A 92 173.939 -7.457 1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 92 172.945 -4.663 1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 92 174.462 -5.182 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 92 171.695 -7.349 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 92 171.702 -8.357 1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 92 171.038 -6.707 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 92 172.998 -4.191 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 92 173.274 -5.915 -1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.734 -5.387 -0.315 1.00 0.00 H new ATOM 1435 N SER A 93 175.056 -8.399 3.741 1.00 0.00 N ATOM 1436 CA SER A 93 176.394 -8.870 4.078 1.00 0.00 C ATOM 1437 C SER A 93 177.354 -8.666 2.910 1.00 0.00 C ATOM 1438 O SER A 93 177.144 -9.199 1.821 1.00 0.00 O ATOM 1439 CB SER A 93 176.353 -10.350 4.467 1.00 0.00 C ATOM 1440 OG SER A 93 176.496 -11.183 3.329 1.00 0.00 O ATOM 0 H SER A 93 174.349 -9.134 3.705 1.00 0.00 H new ATOM 0 HA SER A 93 176.754 -8.288 4.926 1.00 0.00 H new ATOM 0 HB2 SER A 93 177.150 -10.564 5.180 1.00 0.00 H new ATOM 0 HB3 SER A 93 175.410 -10.571 4.967 1.00 0.00 H new ATOM 0 HG SER A 93 176.374 -10.650 2.516 1.00 0.00 H new ATOM 1446 N HIS A 94 178.407 -7.892 3.145 1.00 0.00 N ATOM 1447 CA HIS A 94 179.401 -7.619 2.110 1.00 0.00 C ATOM 1448 C HIS A 94 180.104 -8.903 1.670 1.00 0.00 C ATOM 1449 O HIS A 94 180.620 -8.986 0.555 1.00 0.00 O ATOM 1450 CB HIS A 94 180.435 -6.611 2.615 1.00 0.00 C ATOM 1451 CG HIS A 94 179.907 -5.212 2.725 1.00 0.00 C ATOM 1452 ND1 HIS A 94 179.848 -4.349 1.656 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.424 -4.523 3.786 1.00 0.00 C ATOM 1454 CE1 HIS A 94 179.358 -3.190 2.050 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.091 -3.267 3.340 1.00 0.00 N ATOM 0 H HIS A 94 178.596 -7.442 4.041 1.00 0.00 H new ATOM 0 HA HIS A 94 178.880 -7.198 1.250 1.00 0.00 H new ATOM 0 HB2 HIS A 94 180.796 -6.932 3.592 1.00 0.00 H new ATOM 0 HB3 HIS A 94 181.292 -6.615 1.942 1.00 0.00 H new ATOM 0 HD2 HIS A 94 179.320 -4.892 4.796 1.00 0.00 H new ATOM 0 HE1 HIS A 94 179.202 -2.324 1.423 1.00 0.00 H new ATOM 0 HE2 HIS A 94 178.702 -2.517 3.912 1.00 0.00 H new ATOM 1464 N ARG A 95 180.125 -9.898 2.552 1.00 0.00 N ATOM 1465 CA ARG A 95 180.769 -11.176 2.256 1.00 0.00 C ATOM 1466 C ARG A 95 180.236 -11.780 0.960 1.00 0.00 C ATOM 1467 O ARG A 95 179.301 -11.255 0.355 1.00 0.00 O ATOM 1468 CB ARG A 95 180.556 -12.155 3.411 1.00 0.00 C ATOM 1469 CG ARG A 95 181.088 -11.650 4.742 1.00 0.00 C ATOM 1470 CD ARG A 95 180.590 -12.500 5.900 1.00 0.00 C ATOM 1471 NE ARG A 95 181.413 -13.690 6.099 1.00 0.00 N ATOM 1472 CZ ARG A 95 181.018 -14.759 6.786 1.00 0.00 C ATOM 1473 NH1 ARG A 95 179.812 -14.791 7.340 1.00 0.00 N ATOM 1474 NH2 ARG A 95 181.830 -15.799 6.919 1.00 0.00 N ATOM 0 H ARG A 95 179.703 -9.845 3.479 1.00 0.00 H new ATOM 0 HA ARG A 95 181.836 -10.990 2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 95 179.490 -12.361 3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 95 181.042 -13.100 3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 95 182.178 -11.658 4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 95 180.779 -10.615 4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 95 180.588 -11.904 6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 95 179.559 -12.800 5.713 1.00 0.00 H new ATOM 0 HE ARG A 95 182.346 -13.702 5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 95 179.184 -13.994 7.240 1.00 0.00 H new ATOM 0 HH12 ARG A 95 179.514 -15.613 7.866 1.00 0.00 H new ATOM 0 HH21 ARG A 95 182.757 -15.780 6.495 1.00 0.00 H new ATOM 0 HH22 ARG A 95 181.527 -16.618 7.446 1.00 0.00 H new ATOM 1488 N GLU A 96 180.842 -12.887 0.540 1.00 0.00 N ATOM 1489 CA GLU A 96 180.435 -13.567 -0.684 1.00 0.00 C ATOM 1490 C GLU A 96 179.521 -14.750 -0.374 1.00 0.00 C ATOM 1491 O GLU A 96 178.344 -14.746 -0.734 1.00 0.00 O ATOM 1492 CB GLU A 96 181.666 -14.045 -1.456 1.00 0.00 C ATOM 1493 CG GLU A 96 181.530 -13.905 -2.964 1.00 0.00 C ATOM 1494 CD GLU A 96 182.418 -12.815 -3.532 1.00 0.00 C ATOM 1495 OE1 GLU A 96 181.987 -11.643 -3.541 1.00 0.00 O ATOM 1496 OE2 GLU A 96 183.544 -13.134 -3.969 1.00 0.00 O ATOM 0 H GLU A 96 181.618 -13.332 1.031 1.00 0.00 H new ATOM 0 HA GLU A 96 179.881 -12.858 -1.298 1.00 0.00 H new ATOM 0 HB2 GLU A 96 182.536 -13.478 -1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 96 181.854 -15.090 -1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 96 181.779 -14.855 -3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 96 180.491 -13.688 -3.213 1.00 0.00 H new ATOM 1503 N GLU A 97 180.067 -15.757 0.302 1.00 0.00 N ATOM 1504 CA GLU A 97 179.294 -16.940 0.664 1.00 0.00 C ATOM 1505 C GLU A 97 178.295 -16.603 1.762 1.00 0.00 C ATOM 1506 O GLU A 97 178.645 -15.972 2.760 1.00 0.00 O ATOM 1507 CB GLU A 97 180.222 -18.066 1.124 1.00 0.00 C ATOM 1508 CG GLU A 97 180.632 -19.011 0.006 1.00 0.00 C ATOM 1509 CD GLU A 97 181.455 -20.182 0.506 1.00 0.00 C ATOM 1510 OE1 GLU A 97 181.021 -20.843 1.473 1.00 0.00 O ATOM 1511 OE2 GLU A 97 182.533 -20.440 -0.070 1.00 0.00 O ATOM 0 H GLU A 97 181.039 -15.777 0.609 1.00 0.00 H new ATOM 0 HA GLU A 97 178.747 -17.277 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 97 181.118 -17.630 1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 97 179.725 -18.638 1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 97 179.739 -19.386 -0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 97 181.206 -18.460 -0.739 1.00 0.00 H new ATOM 1518 N ASP A 98 177.046 -17.011 1.568 1.00 0.00 N ATOM 1519 CA ASP A 98 175.998 -16.730 2.540 1.00 0.00 C ATOM 1520 C ASP A 98 175.791 -15.225 2.654 1.00 0.00 C ATOM 1521 O ASP A 98 176.672 -14.503 3.120 1.00 0.00 O ATOM 1522 CB ASP A 98 176.359 -17.321 3.905 1.00 0.00 C ATOM 1523 CG ASP A 98 175.641 -18.628 4.178 1.00 0.00 C ATOM 1524 OD1 ASP A 98 174.394 -18.617 4.248 1.00 0.00 O ATOM 1525 OD2 ASP A 98 176.326 -19.663 4.320 1.00 0.00 O ATOM 0 H ASP A 98 176.736 -17.535 0.750 1.00 0.00 H new ATOM 0 HA ASP A 98 175.071 -17.193 2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 98 177.436 -17.484 3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 98 176.110 -16.603 4.686 1.00 0.00 H new ATOM 1530 N ARG A 99 174.629 -14.754 2.218 1.00 0.00 N ATOM 1531 CA ARG A 99 174.323 -13.329 2.266 1.00 0.00 C ATOM 1532 C ARG A 99 173.032 -13.064 3.032 1.00 0.00 C ATOM 1533 O ARG A 99 171.951 -13.476 2.612 1.00 0.00 O ATOM 1534 CB ARG A 99 174.211 -12.764 0.848 1.00 0.00 C ATOM 1535 CG ARG A 99 173.267 -13.552 -0.048 1.00 0.00 C ATOM 1536 CD ARG A 99 172.092 -12.704 -0.509 1.00 0.00 C ATOM 1537 NE ARG A 99 171.213 -13.436 -1.418 1.00 0.00 N ATOM 1538 CZ ARG A 99 170.230 -12.871 -2.114 1.00 0.00 C ATOM 1539 NH1 ARG A 99 169.997 -11.568 -2.011 1.00 0.00 N ATOM 1540 NH2 ARG A 99 169.476 -13.610 -2.917 1.00 0.00 N ATOM 0 H ARG A 99 173.886 -15.334 1.829 1.00 0.00 H new ATOM 0 HA ARG A 99 175.138 -12.831 2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 99 173.868 -11.731 0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 99 175.201 -12.747 0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 99 173.813 -13.921 -0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 99 172.897 -14.425 0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 99 171.522 -12.372 0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 99 172.464 -11.809 -1.007 1.00 0.00 H new ATOM 0 HE ARG A 99 171.362 -14.439 -1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 99 170.573 -10.994 -1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 99 169.242 -11.141 -2.547 1.00 0.00 H new ATOM 0 HH21 ARG A 99 169.650 -14.612 -3.001 1.00 0.00 H new ATOM 0 HH22 ARG A 99 168.722 -13.177 -3.451 1.00 0.00 H new ATOM 1554 N GLU A 100 173.154 -12.360 4.152 1.00 0.00 N ATOM 1555 CA GLU A 100 171.998 -12.022 4.975 1.00 0.00 C ATOM 1556 C GLU A 100 171.516 -10.614 4.648 1.00 0.00 C ATOM 1557 O GLU A 100 172.269 -9.647 4.772 1.00 0.00 O ATOM 1558 CB GLU A 100 172.344 -12.123 6.466 1.00 0.00 C ATOM 1559 CG GLU A 100 173.357 -13.211 6.797 1.00 0.00 C ATOM 1560 CD GLU A 100 173.905 -13.086 8.205 1.00 0.00 C ATOM 1561 OE1 GLU A 100 174.746 -12.192 8.437 1.00 0.00 O ATOM 1562 OE2 GLU A 100 173.493 -13.881 9.075 1.00 0.00 O ATOM 0 H GLU A 100 174.043 -12.012 4.511 1.00 0.00 H new ATOM 0 HA GLU A 100 171.202 -12.733 4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 100 172.735 -11.163 6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 100 171.429 -12.310 7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 100 172.888 -14.188 6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 100 174.181 -13.165 6.085 1.00 0.00 H new ATOM 1569 N PHE A 101 170.262 -10.503 4.220 1.00 0.00 N ATOM 1570 CA PHE A 101 169.693 -9.208 3.866 1.00 0.00 C ATOM 1571 C PHE A 101 168.413 -8.930 4.652 1.00 0.00 C ATOM 1572 O PHE A 101 167.621 -9.836 4.910 1.00 0.00 O ATOM 1573 CB PHE A 101 169.409 -9.149 2.360 1.00 0.00 C ATOM 1574 CG PHE A 101 168.152 -9.864 1.946 1.00 0.00 C ATOM 1575 CD1 PHE A 101 168.175 -11.216 1.642 1.00 0.00 C ATOM 1576 CD2 PHE A 101 166.948 -9.183 1.864 1.00 0.00 C ATOM 1577 CE1 PHE A 101 167.020 -11.875 1.263 1.00 0.00 C ATOM 1578 CE2 PHE A 101 165.790 -9.836 1.486 1.00 0.00 C ATOM 1579 CZ PHE A 101 165.827 -11.184 1.185 1.00 0.00 C ATOM 0 H PHE A 101 169.623 -11.291 4.110 1.00 0.00 H new ATOM 0 HA PHE A 101 170.421 -8.439 4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 101 169.338 -8.105 2.055 1.00 0.00 H new ATOM 0 HB3 PHE A 101 170.254 -9.581 1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 101 169.106 -11.761 1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 101 166.914 -8.129 2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 101 167.051 -12.929 1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 101 164.858 -9.294 1.426 1.00 0.00 H new ATOM 0 HZ PHE A 101 164.924 -11.697 0.889 1.00 0.00 H new ATOM 1589 N HIS A 102 168.215 -7.667 5.016 1.00 0.00 N ATOM 1590 CA HIS A 102 167.025 -7.261 5.757 1.00 0.00 C ATOM 1591 C HIS A 102 166.567 -5.877 5.308 1.00 0.00 C ATOM 1592 O HIS A 102 167.281 -5.188 4.579 1.00 0.00 O ATOM 1593 CB HIS A 102 167.269 -7.280 7.274 1.00 0.00 C ATOM 1594 CG HIS A 102 168.703 -7.115 7.689 1.00 0.00 C ATOM 1595 ND1 HIS A 102 169.100 -6.218 8.657 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.831 -7.750 7.284 1.00 0.00 C ATOM 1597 CE1 HIS A 102 170.406 -6.307 8.830 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.874 -7.229 8.010 1.00 0.00 N ATOM 0 H HIS A 102 168.863 -6.907 4.810 1.00 0.00 H new ATOM 0 HA HIS A 102 166.237 -7.982 5.540 1.00 0.00 H new ATOM 0 HB2 HIS A 102 166.680 -6.485 7.731 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.897 -8.223 7.675 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.897 -8.521 6.531 1.00 0.00 H new ATOM 0 HE1 HIS A 102 170.992 -5.724 9.525 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.851 -7.509 7.929 1.00 0.00 H new ATOM 1607 N VAL A 103 165.371 -5.475 5.731 1.00 0.00 N ATOM 1608 CA VAL A 103 164.844 -4.171 5.341 1.00 0.00 C ATOM 1609 C VAL A 103 163.894 -3.573 6.378 1.00 0.00 C ATOM 1610 O VAL A 103 163.104 -4.282 7.001 1.00 0.00 O ATOM 1611 CB VAL A 103 164.120 -4.251 3.981 1.00 0.00 C ATOM 1612 CG1 VAL A 103 162.915 -5.176 4.065 1.00 0.00 C ATOM 1613 CG2 VAL A 103 163.705 -2.865 3.507 1.00 0.00 C ATOM 0 H VAL A 103 164.758 -6.023 6.334 1.00 0.00 H new ATOM 0 HA VAL A 103 165.710 -3.514 5.265 1.00 0.00 H new ATOM 0 HB VAL A 103 164.815 -4.665 3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 103 162.420 -5.217 3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.243 -6.176 4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.218 -4.798 4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.196 -2.946 2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.031 -2.417 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 103 164.590 -2.238 3.397 1.00 0.00 H new ATOM 1623 N ILE A 104 163.967 -2.249 6.530 1.00 0.00 N ATOM 1624 CA ILE A 104 163.105 -1.525 7.460 1.00 0.00 C ATOM 1625 C ILE A 104 162.133 -0.629 6.695 1.00 0.00 C ATOM 1626 O ILE A 104 162.542 0.363 6.092 1.00 0.00 O ATOM 1627 CB ILE A 104 163.916 -0.638 8.429 1.00 0.00 C ATOM 1628 CG1 ILE A 104 165.057 -1.425 9.072 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.008 -0.055 9.499 1.00 0.00 C ATOM 1630 CD1 ILE A 104 166.368 -1.279 8.341 1.00 0.00 C ATOM 0 H ILE A 104 164.619 -1.656 6.017 1.00 0.00 H new ATOM 0 HA ILE A 104 162.564 -2.276 8.036 1.00 0.00 H new ATOM 0 HB ILE A 104 164.351 0.179 7.854 1.00 0.00 H new ATOM 0 HG12 ILE A 104 165.184 -1.091 10.102 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.785 -2.480 9.110 1.00 0.00 H new ATOM 0 HG21 ILE A 104 163.595 0.568 10.174 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.233 0.550 9.028 1.00 0.00 H new ATOM 0 HG23 ILE A 104 162.544 -0.864 10.063 1.00 0.00 H new ATOM 0 HD11 ILE A 104 167.135 -1.863 8.850 1.00 0.00 H new ATOM 0 HD12 ILE A 104 166.256 -1.639 7.318 1.00 0.00 H new ATOM 0 HD13 ILE A 104 166.661 -0.229 8.326 1.00 0.00 H new ATOM 1642 N TRP A 105 160.849 -0.978 6.718 1.00 0.00 N ATOM 1643 CA TRP A 105 159.835 -0.191 6.019 1.00 0.00 C ATOM 1644 C TRP A 105 159.154 0.789 6.969 1.00 0.00 C ATOM 1645 O TRP A 105 159.019 0.520 8.163 1.00 0.00 O ATOM 1646 CB TRP A 105 158.786 -1.104 5.382 1.00 0.00 C ATOM 1647 CG TRP A 105 159.375 -2.197 4.540 1.00 0.00 C ATOM 1648 CD1 TRP A 105 159.589 -3.491 4.919 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.825 -2.098 3.180 1.00 0.00 C ATOM 1650 NE1 TRP A 105 160.138 -4.203 3.882 1.00 0.00 N ATOM 1651 CE2 TRP A 105 160.294 -3.372 2.804 1.00 0.00 C ATOM 1652 CE3 TRP A 105 159.877 -1.060 2.240 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.806 -3.634 1.536 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 160.386 -1.323 0.983 1.00 0.00 C ATOM 1655 CH2 TRP A 105 160.843 -2.601 0.640 1.00 0.00 C ATOM 0 H TRP A 105 160.487 -1.795 7.210 1.00 0.00 H new ATOM 0 HA TRP A 105 160.338 0.374 5.234 1.00 0.00 H new ATOM 0 HB2 TRP A 105 158.178 -1.550 6.169 1.00 0.00 H new ATOM 0 HB3 TRP A 105 158.118 -0.502 4.766 1.00 0.00 H new ATOM 0 HD1 TRP A 105 159.360 -3.896 5.894 1.00 0.00 H new ATOM 0 HE1 TRP A 105 160.389 -5.191 3.909 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.525 -0.071 2.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 161.161 -4.618 1.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 160.432 -0.529 0.252 1.00 0.00 H new ATOM 0 HH2 TRP A 105 161.233 -2.775 -0.352 1.00 0.00 H new ATOM 1666 N LYS A 106 158.724 1.926 6.430 1.00 0.00 N ATOM 1667 CA LYS A 106 158.053 2.946 7.228 1.00 0.00 C ATOM 1668 C LYS A 106 156.608 2.551 7.514 1.00 0.00 C ATOM 1669 O LYS A 106 156.007 1.774 6.772 1.00 0.00 O ATOM 1670 CB LYS A 106 158.090 4.293 6.503 1.00 0.00 C ATOM 1671 CG LYS A 106 157.924 5.488 7.430 1.00 0.00 C ATOM 1672 CD LYS A 106 159.152 6.386 7.418 1.00 0.00 C ATOM 1673 CE LYS A 106 158.897 7.672 6.647 1.00 0.00 C ATOM 1674 NZ LYS A 106 159.874 8.737 7.006 1.00 0.00 N ATOM 0 H LYS A 106 158.828 2.164 5.444 1.00 0.00 H new ATOM 0 HA LYS A 106 158.581 3.035 8.178 1.00 0.00 H new ATOM 0 HB2 LYS A 106 159.037 4.384 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 106 157.300 4.314 5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 106 157.049 6.064 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 106 157.740 5.138 8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 106 159.438 6.626 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 106 159.990 5.852 6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 106 158.955 7.472 5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 106 157.886 8.023 6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 159.543 9.651 6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 159.961 8.794 8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 160.801 8.511 6.592 1.00 0.00 H new ATOM 1688 N LYS A 107 156.055 3.091 8.596 1.00 0.00 N ATOM 1689 CA LYS A 107 154.680 2.797 8.981 1.00 0.00 C ATOM 1690 C LYS A 107 153.929 4.075 9.338 1.00 0.00 C ATOM 1691 O LYS A 107 152.715 4.146 9.054 1.00 0.00 O ATOM 1692 CB LYS A 107 154.656 1.830 10.166 1.00 0.00 C ATOM 1693 CG LYS A 107 155.384 2.355 11.393 1.00 0.00 C ATOM 1694 CD LYS A 107 155.397 1.328 12.514 1.00 0.00 C ATOM 1695 CE LYS A 107 156.561 0.361 12.371 1.00 0.00 C ATOM 1696 NZ LYS A 107 157.740 0.786 13.176 1.00 0.00 N ATOM 1697 OXT LYS A 107 154.561 4.995 9.898 1.00 0.00 O ATOM 0 H LYS A 107 156.539 3.735 9.222 1.00 0.00 H new ATOM 0 HA LYS A 107 154.183 2.331 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 107 153.620 1.618 10.431 1.00 0.00 H new ATOM 0 HB3 LYS A 107 155.107 0.885 9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 107 156.408 2.617 11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 107 154.902 3.269 11.741 1.00 0.00 H new ATOM 0 HD2 LYS A 107 155.462 1.838 13.475 1.00 0.00 H new ATOM 0 HD3 LYS A 107 154.459 0.773 12.511 1.00 0.00 H new ATOM 0 HE2 LYS A 107 156.247 -0.634 12.686 1.00 0.00 H new ATOM 0 HE3 LYS A 107 156.846 0.288 11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 158.511 0.100 13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 158.057 1.725 12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 157.476 0.831 14.181 1.00 0.00 H new TER 1711 LYS A 107