USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 MET CE :methyl 152:sc= -2.53 (180deg=-7.1!) USER MOD Set 1.2: A 88 MET CE :methyl 134:sc= -2.47 (180deg=-6.34!) USER MOD Set 2.1: A 51 THR OG1 : rot 162:sc= 0.0792 USER MOD Set 2.2: A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.324 F(o=-0.96,f=-0.32) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -123:sc= 0.0365 (180deg=-0.775) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0726 USER MOD Single : A 19 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.2!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.414 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.01 F(o=-3.1,f=-1) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -77:sc= 1.3 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.17 X(o=-1.2,f=-0.71) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.018 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= -0.207 (180deg=-0.207) USER MOD Single : A 58 MET CE :methyl 158:sc= -0.0355 (180deg=-0.304) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.061) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 78:sc= 1.34 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 93 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.9) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0446 X(o=-0.045,f=0.0051) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 168:sc= -0.222 (180deg=-0.654) USER MOD Single : A 103 THR OG1 : rot 117:sc= 1.18 USER MOD Single : A 105 GLN : amide:sc= -2.96 K(o=-3,f=-6.4!) USER MOD Single : A 106 GLN : amide:sc=-0.00153 X(o=-0.0015,f=-0.064) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 140:sc= 0.285 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 460 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 2.996 15.497 8.768 1.00 0.00 N ATOM 29 CA HIS A 3 2.879 14.255 8.013 1.00 0.00 C ATOM 30 C HIS A 3 2.123 13.200 8.813 1.00 0.00 C ATOM 31 O HIS A 3 2.724 12.410 9.542 1.00 0.00 O ATOM 32 CB HIS A 3 4.266 13.730 7.637 1.00 0.00 C ATOM 33 CG HIS A 3 4.924 14.507 6.540 1.00 0.00 C ATOM 34 ND1 HIS A 3 6.201 14.495 6.088 1.00 0.00 N flip ATOM 35 CD2 HIS A 3 4.254 15.431 5.766 1.00 0.00 C flip ATOM 36 CE1 HIS A 3 6.276 15.402 5.060 1.00 0.00 C flip ATOM 37 NE2 HIS A 3 5.090 15.953 4.885 1.00 0.00 N flip ATOM 0 HA HIS A 3 2.318 14.465 7.102 1.00 0.00 H new ATOM 0 HB2 HIS A 3 4.905 13.752 8.520 1.00 0.00 H new ATOM 0 HB3 HIS A 3 4.180 12.687 7.331 1.00 0.00 H new ATOM 0 HD2 HIS A 3 3.210 15.688 5.864 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.163 15.628 4.487 1.00 0.00 H new ATOM 0 HE2 HIS A 3 4.858 16.661 4.189 1.00 0.00 H new ATOM 46 N SER A 4 0.801 13.193 8.673 1.00 0.00 N ATOM 47 CA SER A 4 -0.038 12.235 9.383 1.00 0.00 C ATOM 48 C SER A 4 -1.496 12.369 8.956 1.00 0.00 C ATOM 49 O SER A 4 -1.922 13.424 8.487 1.00 0.00 O ATOM 50 CB SER A 4 0.084 12.439 10.894 1.00 0.00 C ATOM 51 OG SER A 4 0.030 13.815 11.229 1.00 0.00 O ATOM 0 H SER A 4 0.288 13.840 8.074 1.00 0.00 H new ATOM 0 HA SER A 4 0.306 11.232 9.131 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.720 11.906 11.402 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.023 12.012 11.247 1.00 0.00 H new ATOM 0 HG SER A 4 0.108 13.919 12.200 1.00 0.00 H new ATOM 57 N GLY A 5 -2.257 11.292 9.123 1.00 0.00 N ATOM 58 CA GLY A 5 -3.660 11.311 8.750 1.00 0.00 C ATOM 59 C GLY A 5 -4.396 10.064 9.199 1.00 0.00 C ATOM 60 O GLY A 5 -3.776 9.051 9.523 1.00 0.00 O ATOM 0 H GLY A 5 -1.928 10.407 9.509 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.137 12.188 9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.744 11.409 7.668 1.00 0.00 H new ATOM 64 N ALA A 6 -5.723 10.138 9.218 1.00 0.00 N ATOM 65 CA ALA A 6 -6.545 9.007 9.630 1.00 0.00 C ATOM 66 C ALA A 6 -6.323 7.805 8.719 1.00 0.00 C ATOM 67 O ALA A 6 -6.326 7.932 7.494 1.00 0.00 O ATOM 68 CB ALA A 6 -8.015 9.400 9.639 1.00 0.00 C ATOM 0 H ALA A 6 -6.251 10.969 8.953 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.249 8.723 10.640 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.618 8.546 9.948 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.167 10.224 10.337 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.314 9.712 8.638 1.00 0.00 H new ATOM 74 N ALA A 7 -6.131 6.638 9.325 1.00 0.00 N ATOM 75 CA ALA A 7 -5.907 5.411 8.569 1.00 0.00 C ATOM 76 C ALA A 7 -6.345 4.188 9.367 1.00 0.00 C ATOM 77 O ALA A 7 -5.916 3.990 10.503 1.00 0.00 O ATOM 78 CB ALA A 7 -4.441 5.292 8.179 1.00 0.00 C ATOM 0 H ALA A 7 -6.126 6.516 10.338 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.510 5.456 7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.288 4.372 7.615 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.158 6.146 7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.826 5.273 9.078 1.00 0.00 H new ATOM 84 N ILE A 8 -7.204 3.371 8.765 1.00 0.00 N ATOM 85 CA ILE A 8 -7.700 2.168 9.422 1.00 0.00 C ATOM 86 C ILE A 8 -7.014 0.921 8.876 1.00 0.00 C ATOM 87 O ILE A 8 -6.900 0.743 7.663 1.00 0.00 O ATOM 88 CB ILE A 8 -9.225 2.020 9.248 1.00 0.00 C ATOM 89 CG1 ILE A 8 -9.933 3.319 9.636 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.744 0.858 10.082 1.00 0.00 C ATOM 91 CD1 ILE A 8 -9.847 4.396 8.576 1.00 0.00 C ATOM 0 H ILE A 8 -7.570 3.520 7.825 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.471 2.270 10.483 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.437 1.812 8.199 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.982 3.104 9.840 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.499 3.697 10.562 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.822 0.767 9.948 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.259 -0.064 9.762 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.523 1.038 11.134 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.371 5.288 8.920 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.801 4.639 8.388 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.307 4.038 7.655 1.00 0.00 H new ATOM 103 N PHE A 9 -6.561 0.059 9.780 1.00 0.00 N ATOM 104 CA PHE A 9 -5.887 -1.174 9.391 1.00 0.00 C ATOM 105 C PHE A 9 -6.452 -2.366 10.156 1.00 0.00 C ATOM 106 O PHE A 9 -6.506 -2.358 11.386 1.00 0.00 O ATOM 107 CB PHE A 9 -4.382 -1.059 9.641 1.00 0.00 C ATOM 108 CG PHE A 9 -3.571 -2.086 8.903 1.00 0.00 C ATOM 109 CD1 PHE A 9 -3.485 -2.057 7.520 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.894 -3.079 9.592 1.00 0.00 C ATOM 111 CE1 PHE A 9 -2.740 -3.000 6.838 1.00 0.00 C ATOM 112 CE2 PHE A 9 -2.147 -4.025 8.916 1.00 0.00 C ATOM 113 CZ PHE A 9 -2.070 -3.985 7.537 1.00 0.00 C ATOM 0 H PHE A 9 -6.648 0.192 10.788 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.059 -1.333 8.327 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.048 -0.064 9.347 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.191 -1.156 10.710 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.006 -1.288 6.969 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.951 -3.114 10.670 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.682 -2.967 5.760 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.624 -4.794 9.465 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.487 -4.723 7.006 1.00 0.00 H new ATOM 123 N GLU A 10 -6.873 -3.389 9.420 1.00 0.00 N ATOM 124 CA GLU A 10 -7.435 -4.589 10.028 1.00 0.00 C ATOM 125 C GLU A 10 -8.667 -4.252 10.865 1.00 0.00 C ATOM 126 O GLU A 10 -8.830 -4.748 11.980 1.00 0.00 O ATOM 127 CB GLU A 10 -6.382 -5.288 10.891 1.00 0.00 C ATOM 128 CG GLU A 10 -6.178 -6.747 10.525 1.00 0.00 C ATOM 129 CD GLU A 10 -5.136 -7.427 11.392 1.00 0.00 C ATOM 130 OE1 GLU A 10 -4.097 -6.796 11.677 1.00 0.00 O ATOM 131 OE2 GLU A 10 -5.361 -8.590 11.788 1.00 0.00 O ATOM 0 H GLU A 10 -6.836 -3.411 8.401 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.742 -5.264 9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.433 -4.760 10.793 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.678 -5.221 11.938 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.126 -7.277 10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.877 -6.817 9.480 1.00 0.00 H new ATOM 138 N LYS A 11 -9.532 -3.409 10.314 1.00 0.00 N ATOM 139 CA LYS A 11 -10.752 -3.005 11.004 1.00 0.00 C ATOM 140 C LYS A 11 -10.430 -2.297 12.316 1.00 0.00 C ATOM 141 O LYS A 11 -11.161 -2.426 13.298 1.00 0.00 O ATOM 142 CB LYS A 11 -11.639 -4.224 11.269 1.00 0.00 C ATOM 143 CG LYS A 11 -13.093 -4.013 10.882 1.00 0.00 C ATOM 144 CD LYS A 11 -13.885 -3.378 12.013 1.00 0.00 C ATOM 145 CE LYS A 11 -14.366 -4.419 13.010 1.00 0.00 C ATOM 146 NZ LYS A 11 -13.476 -4.501 14.201 1.00 0.00 N ATOM 0 H LYS A 11 -9.412 -2.992 9.391 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.289 -2.307 10.362 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.245 -5.077 10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.587 -4.478 12.328 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.147 -3.378 9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.542 -4.970 10.615 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.264 -2.642 12.525 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.741 -2.843 11.603 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.379 -4.174 13.330 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.412 -5.393 12.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.125 -5.474 14.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.671 -3.854 14.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.009 -4.231 15.052 1.00 0.00 H new ATOM 160 N VAL A 12 -9.332 -1.548 12.326 1.00 0.00 N ATOM 161 CA VAL A 12 -8.915 -0.818 13.518 1.00 0.00 C ATOM 162 C VAL A 12 -8.742 0.666 13.218 1.00 0.00 C ATOM 163 O VAL A 12 -8.081 1.042 12.250 1.00 0.00 O ATOM 164 CB VAL A 12 -7.597 -1.377 14.088 1.00 0.00 C ATOM 165 CG1 VAL A 12 -7.203 -0.640 15.360 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.722 -2.869 14.349 1.00 0.00 C ATOM 0 H VAL A 12 -8.715 -1.431 11.522 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.702 -0.946 14.261 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.811 -1.221 13.349 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.270 -1.051 15.745 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.069 0.419 15.140 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.987 -0.759 16.107 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.783 -3.248 14.751 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.522 -3.047 15.067 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.951 -3.384 13.416 1.00 0.00 H new ATOM 176 N SER A 13 -9.341 1.505 14.055 1.00 0.00 N ATOM 177 CA SER A 13 -9.254 2.950 13.882 1.00 0.00 C ATOM 178 C SER A 13 -7.978 3.499 14.511 1.00 0.00 C ATOM 179 O SER A 13 -7.839 3.529 15.734 1.00 0.00 O ATOM 180 CB SER A 13 -10.475 3.633 14.502 1.00 0.00 C ATOM 181 OG SER A 13 -10.918 2.938 15.655 1.00 0.00 O ATOM 0 H SER A 13 -9.892 1.209 14.861 1.00 0.00 H new ATOM 0 HA SER A 13 -9.230 3.161 12.813 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.225 4.661 14.767 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.281 3.679 13.769 1.00 0.00 H new ATOM 0 HG SER A 13 -11.698 3.395 16.033 1.00 0.00 H new ATOM 187 N GLY A 14 -7.047 3.932 13.666 1.00 0.00 N ATOM 188 CA GLY A 14 -5.795 4.474 14.158 1.00 0.00 C ATOM 189 C GLY A 14 -5.271 5.603 13.293 1.00 0.00 C ATOM 190 O GLY A 14 -5.757 5.819 12.183 1.00 0.00 O ATOM 0 H GLY A 14 -7.138 3.917 12.650 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.935 4.836 15.177 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.051 3.679 14.202 1.00 0.00 H new ATOM 194 N ILE A 15 -4.278 6.324 13.801 1.00 0.00 N ATOM 195 CA ILE A 15 -3.688 7.437 13.066 1.00 0.00 C ATOM 196 C ILE A 15 -2.316 7.063 12.516 1.00 0.00 C ATOM 197 O ILE A 15 -1.519 6.417 13.196 1.00 0.00 O ATOM 198 CB ILE A 15 -3.547 8.688 13.955 1.00 0.00 C ATOM 199 CG1 ILE A 15 -4.841 8.939 14.732 1.00 0.00 C ATOM 200 CG2 ILE A 15 -3.188 9.900 13.109 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.059 9.093 13.847 1.00 0.00 C ATOM 0 H ILE A 15 -3.865 6.158 14.719 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.362 7.663 12.239 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.744 8.517 14.671 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.006 8.112 15.423 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.724 9.840 15.335 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.092 10.776 13.751 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.243 9.719 12.597 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.972 10.074 12.372 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.939 9.268 14.466 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.915 9.938 13.174 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.202 8.184 13.263 1.00 0.00 H new ATOM 213 N ILE A 16 -2.047 7.471 11.280 1.00 0.00 N ATOM 214 CA ILE A 16 -0.771 7.176 10.641 1.00 0.00 C ATOM 215 C ILE A 16 0.157 8.390 10.686 1.00 0.00 C ATOM 216 O ILE A 16 -0.295 9.532 10.598 1.00 0.00 O ATOM 217 CB ILE A 16 -0.971 6.713 9.177 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.018 5.600 8.833 1.00 0.00 C ATOM 219 CG2 ILE A 16 -0.828 7.874 8.199 1.00 0.00 C ATOM 220 CD1 ILE A 16 -0.521 4.601 7.832 1.00 0.00 C ATOM 0 H ILE A 16 -2.695 8.006 10.702 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.307 6.362 11.198 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.986 6.326 9.085 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.930 6.045 8.435 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.293 5.074 9.747 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.974 7.512 7.181 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.576 8.634 8.425 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.168 8.306 8.291 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.234 3.840 7.635 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.416 4.128 8.236 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.770 5.115 6.903 1.00 0.00 H new ATOM 232 N ALA A 17 1.453 8.135 10.825 1.00 0.00 N ATOM 233 CA ALA A 17 2.439 9.207 10.882 1.00 0.00 C ATOM 234 C ALA A 17 3.713 8.823 10.137 1.00 0.00 C ATOM 235 O ALA A 17 4.423 7.900 10.536 1.00 0.00 O ATOM 236 CB ALA A 17 2.756 9.554 12.329 1.00 0.00 C ATOM 0 H ALA A 17 1.845 7.196 10.900 1.00 0.00 H new ATOM 0 HA ALA A 17 2.015 10.084 10.393 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.494 10.356 12.358 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.846 9.880 12.833 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.156 8.675 12.835 1.00 0.00 H new ATOM 242 N ILE A 18 3.997 9.539 9.055 1.00 0.00 N ATOM 243 CA ILE A 18 5.187 9.275 8.256 1.00 0.00 C ATOM 244 C ILE A 18 6.379 10.076 8.767 1.00 0.00 C ATOM 245 O ILE A 18 6.264 11.270 9.045 1.00 0.00 O ATOM 246 CB ILE A 18 4.955 9.612 6.771 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.655 8.975 6.277 1.00 0.00 C ATOM 248 CG2 ILE A 18 6.135 9.145 5.931 1.00 0.00 C ATOM 249 CD1 ILE A 18 3.357 9.260 4.821 1.00 0.00 C ATOM 0 H ILE A 18 3.420 10.306 8.711 1.00 0.00 H new ATOM 0 HA ILE A 18 5.400 8.210 8.349 1.00 0.00 H new ATOM 0 HB ILE A 18 4.868 10.694 6.669 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.710 7.896 6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.828 9.338 6.887 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.956 9.390 4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.043 9.643 6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.252 8.066 6.036 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.421 8.777 4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.270 10.336 4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.166 8.872 4.201 1.00 0.00 H new ATOM 261 N ASN A 19 7.523 9.412 8.890 1.00 0.00 N ATOM 262 CA ASN A 19 8.737 10.062 9.369 1.00 0.00 C ATOM 263 C ASN A 19 9.817 10.056 8.293 1.00 0.00 C ATOM 264 O ASN A 19 10.529 9.067 8.119 1.00 0.00 O ATOM 265 CB ASN A 19 9.252 9.363 10.628 1.00 0.00 C ATOM 266 CG ASN A 19 9.853 10.336 11.625 1.00 0.00 C ATOM 267 OD1 ASN A 19 9.393 11.470 11.757 1.00 0.00 O ATOM 268 ND2 ASN A 19 10.887 9.896 12.332 1.00 0.00 N ATOM 0 H ASN A 19 7.635 8.424 8.664 1.00 0.00 H new ATOM 0 HA ASN A 19 8.494 11.097 9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.432 8.822 11.101 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.002 8.624 10.349 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.333 10.506 13.017 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.236 8.948 12.190 1.00 0.00 H new ATOM 275 N GLU A 20 9.934 11.167 7.572 1.00 0.00 N ATOM 276 CA GLU A 20 10.928 11.290 6.512 1.00 0.00 C ATOM 277 C GLU A 20 12.172 12.015 7.013 1.00 0.00 C ATOM 278 O GLU A 20 12.815 12.753 6.267 1.00 0.00 O ATOM 279 CB GLU A 20 10.336 12.035 5.314 1.00 0.00 C ATOM 280 CG GLU A 20 9.064 11.404 4.773 1.00 0.00 C ATOM 281 CD GLU A 20 8.034 12.435 4.355 1.00 0.00 C ATOM 282 OE1 GLU A 20 8.435 13.499 3.838 1.00 0.00 O ATOM 283 OE2 GLU A 20 6.826 12.179 4.546 1.00 0.00 O ATOM 0 H GLU A 20 9.353 11.995 7.703 1.00 0.00 H new ATOM 0 HA GLU A 20 11.217 10.286 6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.126 13.064 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.079 12.074 4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.310 10.775 3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.633 10.753 5.534 1.00 0.00 H new ATOM 290 N ASP A 21 12.507 11.799 8.281 1.00 0.00 N ATOM 291 CA ASP A 21 13.675 12.432 8.882 1.00 0.00 C ATOM 292 C ASP A 21 14.835 11.447 8.979 1.00 0.00 C ATOM 293 O ASP A 21 15.997 11.824 8.827 1.00 0.00 O ATOM 294 CB ASP A 21 13.331 12.971 10.271 1.00 0.00 C ATOM 295 CG ASP A 21 14.350 13.978 10.769 1.00 0.00 C ATOM 296 OD1 ASP A 21 14.427 15.081 10.188 1.00 0.00 O ATOM 297 OD2 ASP A 21 15.070 13.663 11.740 1.00 0.00 O ATOM 0 H ASP A 21 11.986 11.190 8.912 1.00 0.00 H new ATOM 0 HA ASP A 21 13.978 13.262 8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.346 13.438 10.243 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.270 12.141 10.975 1.00 0.00 H new ATOM 302 N VAL A 22 14.512 10.183 9.234 1.00 0.00 N ATOM 303 CA VAL A 22 15.529 9.142 9.352 1.00 0.00 C ATOM 304 C VAL A 22 16.406 9.081 8.099 1.00 0.00 C ATOM 305 O VAL A 22 17.620 9.274 8.174 1.00 0.00 O ATOM 306 CB VAL A 22 14.890 7.757 9.627 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.701 7.504 8.710 1.00 0.00 C ATOM 308 CG2 VAL A 22 15.920 6.643 9.495 1.00 0.00 C ATOM 0 H VAL A 22 13.555 9.854 9.363 1.00 0.00 H new ATOM 0 HA VAL A 22 16.160 9.402 10.202 1.00 0.00 H new ATOM 0 HB VAL A 22 14.525 7.762 10.654 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.275 6.525 8.928 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.946 8.273 8.873 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.030 7.534 7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.444 5.682 9.693 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.329 6.644 8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.725 6.804 10.213 1.00 0.00 H new ATOM 318 N SER A 23 15.785 8.821 6.949 1.00 0.00 N ATOM 319 CA SER A 23 16.503 8.743 5.676 1.00 0.00 C ATOM 320 C SER A 23 15.613 8.117 4.601 1.00 0.00 C ATOM 321 O SER A 23 15.191 8.799 3.667 1.00 0.00 O ATOM 322 CB SER A 23 17.808 7.949 5.827 1.00 0.00 C ATOM 323 OG SER A 23 18.130 7.251 4.636 1.00 0.00 O ATOM 0 H SER A 23 14.781 8.660 6.872 1.00 0.00 H new ATOM 0 HA SER A 23 16.761 9.756 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 23 18.621 8.628 6.084 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.712 7.241 6.650 1.00 0.00 H new ATOM 0 HG SER A 23 18.967 6.756 4.763 1.00 0.00 H new ATOM 329 N PRO A 24 15.299 6.811 4.719 1.00 0.00 N ATOM 330 CA PRO A 24 14.443 6.120 3.752 1.00 0.00 C ATOM 331 C PRO A 24 12.968 6.464 3.942 1.00 0.00 C ATOM 332 O PRO A 24 12.128 6.126 3.107 1.00 0.00 O ATOM 333 CB PRO A 24 14.688 4.646 4.067 1.00 0.00 C ATOM 334 CG PRO A 24 14.995 4.630 5.523 1.00 0.00 C ATOM 335 CD PRO A 24 15.738 5.909 5.804 1.00 0.00 C ATOM 0 HA PRO A 24 14.673 6.398 2.723 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.812 4.039 3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.515 4.246 3.481 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.081 4.572 6.114 1.00 0.00 H new ATOM 0 HG3 PRO A 24 15.600 3.762 5.785 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.487 6.311 6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.817 5.758 5.788 1.00 0.00 H new ATOM 343 N ALA A 25 12.660 7.137 5.049 1.00 0.00 N ATOM 344 CA ALA A 25 11.289 7.527 5.359 1.00 0.00 C ATOM 345 C ALA A 25 10.422 6.305 5.637 1.00 0.00 C ATOM 346 O ALA A 25 10.288 5.420 4.791 1.00 0.00 O ATOM 347 CB ALA A 25 10.700 8.353 4.223 1.00 0.00 C ATOM 0 H ALA A 25 13.346 7.424 5.748 1.00 0.00 H new ATOM 0 HA ALA A 25 11.307 8.139 6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.677 8.635 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.299 9.252 4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.702 7.764 3.306 1.00 0.00 H new ATOM 353 N GLU A 26 9.837 6.260 6.830 1.00 0.00 N ATOM 354 CA GLU A 26 8.983 5.144 7.221 1.00 0.00 C ATOM 355 C GLU A 26 7.582 5.625 7.583 1.00 0.00 C ATOM 356 O GLU A 26 7.376 6.800 7.888 1.00 0.00 O ATOM 357 CB GLU A 26 9.599 4.397 8.406 1.00 0.00 C ATOM 358 CG GLU A 26 10.938 3.751 8.089 1.00 0.00 C ATOM 359 CD GLU A 26 11.929 3.876 9.230 1.00 0.00 C ATOM 360 OE1 GLU A 26 11.760 3.165 10.244 1.00 0.00 O ATOM 361 OE2 GLU A 26 12.874 4.683 9.110 1.00 0.00 O ATOM 0 H GLU A 26 9.939 6.983 7.542 1.00 0.00 H new ATOM 0 HA GLU A 26 8.904 4.467 6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.728 5.092 9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.904 3.627 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.784 2.697 7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.358 4.213 7.195 1.00 0.00 H new ATOM 368 N LEU A 27 6.621 4.707 7.545 1.00 0.00 N ATOM 369 CA LEU A 27 5.236 5.030 7.868 1.00 0.00 C ATOM 370 C LEU A 27 4.790 4.292 9.127 1.00 0.00 C ATOM 371 O LEU A 27 4.760 3.062 9.159 1.00 0.00 O ATOM 372 CB LEU A 27 4.325 4.666 6.694 1.00 0.00 C ATOM 373 CG LEU A 27 2.827 4.819 6.962 1.00 0.00 C ATOM 374 CD1 LEU A 27 2.075 5.066 5.662 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.284 3.586 7.672 1.00 0.00 C ATOM 0 H LEU A 27 6.777 3.731 7.293 1.00 0.00 H new ATOM 0 HA LEU A 27 5.166 6.102 8.054 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.591 5.290 5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.523 3.633 6.407 1.00 0.00 H new ATOM 0 HG LEU A 27 2.678 5.681 7.612 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.011 5.172 5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.446 5.978 5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.229 4.224 4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.217 3.712 7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.444 2.707 7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.802 3.456 8.622 1.00 0.00 H new ATOM 387 N THR A 28 4.445 5.051 10.162 1.00 0.00 N ATOM 388 CA THR A 28 4.002 4.467 11.423 1.00 0.00 C ATOM 389 C THR A 28 2.491 4.598 11.584 1.00 0.00 C ATOM 390 O THR A 28 1.897 5.596 11.176 1.00 0.00 O ATOM 391 CB THR A 28 4.711 5.141 12.599 1.00 0.00 C ATOM 392 OG1 THR A 28 6.101 5.249 12.351 1.00 0.00 O ATOM 393 CG2 THR A 28 4.533 4.403 13.908 1.00 0.00 C ATOM 0 H THR A 28 4.464 6.071 10.153 1.00 0.00 H new ATOM 0 HA THR A 28 4.257 3.407 11.412 1.00 0.00 H new ATOM 0 HB THR A 28 4.249 6.124 12.690 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.537 5.684 13.114 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.061 4.934 14.700 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.472 4.347 14.153 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.937 3.395 13.815 1.00 0.00 H new ATOM 401 N TRP A 29 1.874 3.584 12.181 1.00 0.00 N ATOM 402 CA TRP A 29 0.432 3.585 12.397 1.00 0.00 C ATOM 403 C TRP A 29 0.098 3.147 13.821 1.00 0.00 C ATOM 404 O TRP A 29 0.428 2.035 14.232 1.00 0.00 O ATOM 405 CB TRP A 29 -0.257 2.664 11.385 1.00 0.00 C ATOM 406 CG TRP A 29 -1.724 2.483 11.638 1.00 0.00 C ATOM 407 CD1 TRP A 29 -2.722 3.372 11.355 1.00 0.00 C ATOM 408 CD2 TRP A 29 -2.358 1.342 12.226 1.00 0.00 C ATOM 409 NE1 TRP A 29 -3.937 2.852 11.731 1.00 0.00 N ATOM 410 CE2 TRP A 29 -3.740 1.607 12.268 1.00 0.00 C ATOM 411 CE3 TRP A 29 -1.891 0.120 12.720 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -4.657 0.696 12.785 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -2.803 -0.783 13.233 1.00 0.00 C ATOM 414 CH2 TRP A 29 -4.172 -0.491 13.261 1.00 0.00 C ATOM 0 H TRP A 29 2.351 2.750 12.524 1.00 0.00 H new ATOM 0 HA TRP A 29 0.065 4.602 12.255 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.117 3.070 10.383 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.229 1.689 11.404 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.577 4.342 10.902 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.839 3.317 11.627 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.837 -0.114 12.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.714 0.919 12.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.454 -1.729 13.619 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -4.859 -1.218 13.667 1.00 0.00 H new ATOM 425 N ARG A 30 -0.559 4.029 14.567 1.00 0.00 N ATOM 426 CA ARG A 30 -0.940 3.734 15.943 1.00 0.00 C ATOM 427 C ARG A 30 -2.454 3.798 16.114 1.00 0.00 C ATOM 428 O ARG A 30 -3.108 4.707 15.603 1.00 0.00 O ATOM 429 CB ARG A 30 -0.264 4.716 16.903 1.00 0.00 C ATOM 430 CG ARG A 30 -0.633 6.168 16.646 1.00 0.00 C ATOM 431 CD ARG A 30 -1.735 6.637 17.581 1.00 0.00 C ATOM 432 NE ARG A 30 -2.287 7.927 17.175 1.00 0.00 N ATOM 433 CZ ARG A 30 -1.639 9.083 17.300 1.00 0.00 C ATOM 434 NH1 ARG A 30 -0.418 9.115 17.820 1.00 0.00 N ATOM 435 NH2 ARG A 30 -2.213 10.211 16.904 1.00 0.00 N ATOM 0 H ARG A 30 -0.839 4.954 14.241 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.609 2.722 16.177 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.535 4.456 17.926 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.817 4.605 16.822 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.248 6.797 16.776 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.958 6.284 15.612 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.531 5.893 17.604 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.342 6.714 18.595 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.224 7.943 16.772 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.029 8.251 18.126 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.073 10.004 17.913 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.151 10.193 16.504 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.717 11.097 17.000 1.00 0.00 H new ATOM 449 N SER A 31 -3.005 2.827 16.835 1.00 0.00 N ATOM 450 CA SER A 31 -4.443 2.773 17.073 1.00 0.00 C ATOM 451 C SER A 31 -4.925 4.035 17.781 1.00 0.00 C ATOM 452 O SER A 31 -4.169 4.679 18.507 1.00 0.00 O ATOM 453 CB SER A 31 -4.797 1.539 17.904 1.00 0.00 C ATOM 454 OG SER A 31 -6.097 1.651 18.458 1.00 0.00 O ATOM 0 H SER A 31 -2.478 2.067 17.265 1.00 0.00 H new ATOM 0 HA SER A 31 -4.944 2.707 16.107 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.741 0.648 17.279 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.067 1.414 18.704 1.00 0.00 H new ATOM 0 HG SER A 31 -6.299 0.849 18.983 1.00 0.00 H new ATOM 460 N THR A 32 -6.190 4.382 17.564 1.00 0.00 N ATOM 461 CA THR A 32 -6.774 5.567 18.181 1.00 0.00 C ATOM 462 C THR A 32 -6.709 5.478 19.702 1.00 0.00 C ATOM 463 O THR A 32 -6.582 6.492 20.389 1.00 0.00 O ATOM 464 CB THR A 32 -8.226 5.739 17.730 1.00 0.00 C ATOM 465 OG1 THR A 32 -8.776 6.934 18.255 1.00 0.00 O ATOM 466 CG2 THR A 32 -9.123 4.596 18.153 1.00 0.00 C ATOM 0 H THR A 32 -6.830 3.859 16.966 1.00 0.00 H new ATOM 0 HA THR A 32 -6.196 6.434 17.862 1.00 0.00 H new ATOM 0 HB THR A 32 -8.189 5.767 16.641 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.704 7.027 17.954 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.138 4.781 17.801 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.754 3.665 17.723 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.124 4.518 19.240 1.00 0.00 H new ATOM 474 N ASP A 33 -6.798 4.258 20.223 1.00 0.00 N ATOM 475 CA ASP A 33 -6.749 4.036 21.663 1.00 0.00 C ATOM 476 C ASP A 33 -5.306 3.953 22.152 1.00 0.00 C ATOM 477 O ASP A 33 -4.960 4.508 23.194 1.00 0.00 O ATOM 478 CB ASP A 33 -7.499 2.754 22.029 1.00 0.00 C ATOM 479 CG ASP A 33 -8.092 2.809 23.423 1.00 0.00 C ATOM 480 OD1 ASP A 33 -7.367 2.493 24.389 1.00 0.00 O ATOM 481 OD2 ASP A 33 -9.282 3.168 23.547 1.00 0.00 O ATOM 0 H ASP A 33 -6.904 3.408 19.669 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.231 4.882 22.152 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.296 2.583 21.305 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.818 1.906 21.960 1.00 0.00 H new ATOM 486 N GLY A 34 -4.469 3.254 21.392 1.00 0.00 N ATOM 487 CA GLY A 34 -3.074 3.110 21.764 1.00 0.00 C ATOM 488 C GLY A 34 -2.741 1.710 22.240 1.00 0.00 C ATOM 489 O GLY A 34 -2.302 1.521 23.374 1.00 0.00 O ATOM 0 H GLY A 34 -4.732 2.785 20.525 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.446 3.358 20.908 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.836 3.824 22.552 1.00 0.00 H new ATOM 493 N ASP A 35 -2.951 0.726 21.371 1.00 0.00 N ATOM 494 CA ASP A 35 -2.671 -0.664 21.709 1.00 0.00 C ATOM 495 C ASP A 35 -1.937 -1.363 20.570 1.00 0.00 C ATOM 496 O ASP A 35 -0.869 -1.942 20.769 1.00 0.00 O ATOM 497 CB ASP A 35 -3.971 -1.406 22.024 1.00 0.00 C ATOM 498 CG ASP A 35 -4.350 -1.313 23.489 1.00 0.00 C ATOM 499 OD1 ASP A 35 -3.856 -0.391 24.172 1.00 0.00 O ATOM 500 OD2 ASP A 35 -5.141 -2.161 23.953 1.00 0.00 O ATOM 0 H ASP A 35 -3.314 0.866 20.428 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.031 -0.675 22.591 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.777 -0.995 21.416 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.864 -2.454 21.745 1.00 0.00 H new ATOM 505 N LYS A 36 -2.517 -1.306 19.375 1.00 0.00 N ATOM 506 CA LYS A 36 -1.917 -1.933 18.203 1.00 0.00 C ATOM 507 C LYS A 36 -1.207 -0.899 17.336 1.00 0.00 C ATOM 508 O LYS A 36 -1.829 0.035 16.830 1.00 0.00 O ATOM 509 CB LYS A 36 -2.987 -2.656 17.383 1.00 0.00 C ATOM 510 CG LYS A 36 -2.498 -3.950 16.752 1.00 0.00 C ATOM 511 CD LYS A 36 -2.885 -5.159 17.588 1.00 0.00 C ATOM 512 CE LYS A 36 -4.137 -5.832 17.050 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.013 -6.331 18.145 1.00 0.00 N ATOM 0 H LYS A 36 -3.402 -0.832 19.193 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.180 -2.659 18.547 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.840 -2.874 18.026 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.343 -1.990 16.597 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.918 -4.049 15.751 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.414 -3.915 16.641 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.062 -5.874 17.598 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.052 -4.850 18.620 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.693 -5.125 16.434 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.853 -6.663 16.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.856 -6.783 17.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.491 -7.025 18.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.305 -5.534 18.747 1.00 0.00 H new ATOM 527 N VAL A 37 0.101 -1.072 17.169 1.00 0.00 N ATOM 528 CA VAL A 37 0.895 -0.153 16.363 1.00 0.00 C ATOM 529 C VAL A 37 2.039 -0.883 15.665 1.00 0.00 C ATOM 530 O VAL A 37 2.710 -1.723 16.264 1.00 0.00 O ATOM 531 CB VAL A 37 1.472 0.992 17.221 1.00 0.00 C ATOM 532 CG1 VAL A 37 2.413 0.446 18.284 1.00 0.00 C ATOM 533 CG2 VAL A 37 2.179 2.015 16.344 1.00 0.00 C ATOM 0 H VAL A 37 0.632 -1.839 17.581 1.00 0.00 H new ATOM 0 HA VAL A 37 0.228 0.270 15.612 1.00 0.00 H new ATOM 0 HB VAL A 37 0.646 1.492 17.726 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.809 1.270 18.878 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.870 -0.241 18.933 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.236 -0.083 17.804 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.579 2.814 16.968 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.995 1.532 15.806 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.470 2.433 15.629 1.00 0.00 H new ATOM 543 N HIS A 38 2.255 -0.557 14.395 1.00 0.00 N ATOM 544 CA HIS A 38 3.317 -1.182 13.615 1.00 0.00 C ATOM 545 C HIS A 38 4.061 -0.145 12.780 1.00 0.00 C ATOM 546 O HIS A 38 3.490 0.868 12.377 1.00 0.00 O ATOM 547 CB HIS A 38 2.739 -2.268 12.706 1.00 0.00 C ATOM 548 CG HIS A 38 1.783 -1.744 11.680 1.00 0.00 C ATOM 549 ND1 HIS A 38 1.991 -0.966 10.591 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 0.430 -2.007 11.708 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 0.771 -0.777 9.988 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 -0.153 -1.415 10.680 1.00 0.00 N flip ATOM 0 H HIS A 38 1.709 0.136 13.884 1.00 0.00 H new ATOM 0 HA HIS A 38 4.024 -1.638 14.309 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.557 -2.780 12.200 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.229 -3.011 13.320 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.075 -2.604 12.453 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.597 -0.199 9.092 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.148 -1.446 10.459 1.00 0.00 H new ATOM 561 N THR A 39 5.339 -0.406 12.523 1.00 0.00 N ATOM 562 CA THR A 39 6.162 0.504 11.735 1.00 0.00 C ATOM 563 C THR A 39 6.651 -0.172 10.458 1.00 0.00 C ATOM 564 O THR A 39 7.241 -1.252 10.503 1.00 0.00 O ATOM 565 CB THR A 39 7.356 0.988 12.559 1.00 0.00 C ATOM 566 OG1 THR A 39 6.928 1.507 13.805 1.00 0.00 O ATOM 567 CG2 THR A 39 8.164 2.065 11.867 1.00 0.00 C ATOM 0 H THR A 39 5.827 -1.240 12.849 1.00 0.00 H new ATOM 0 HA THR A 39 5.549 1.362 11.459 1.00 0.00 H new ATOM 0 HB THR A 39 7.989 0.111 12.693 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.706 1.810 14.318 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.995 2.363 12.506 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.551 1.680 10.924 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.528 2.929 11.673 1.00 0.00 H new ATOM 575 N VAL A 40 6.401 0.469 9.322 1.00 0.00 N ATOM 576 CA VAL A 40 6.815 -0.070 8.032 1.00 0.00 C ATOM 577 C VAL A 40 7.596 0.966 7.229 1.00 0.00 C ATOM 578 O VAL A 40 7.249 2.147 7.218 1.00 0.00 O ATOM 579 CB VAL A 40 5.602 -0.544 7.206 1.00 0.00 C ATOM 580 CG1 VAL A 40 4.664 0.617 6.914 1.00 0.00 C ATOM 581 CG2 VAL A 40 6.059 -1.209 5.916 1.00 0.00 C ATOM 0 H VAL A 40 5.913 1.363 9.268 1.00 0.00 H new ATOM 0 HA VAL A 40 7.459 -0.925 8.236 1.00 0.00 H new ATOM 0 HB VAL A 40 5.055 -1.282 7.793 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.815 0.261 6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.307 1.041 7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.197 1.382 6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.189 -1.536 5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.633 -0.497 5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.683 -2.071 6.152 1.00 0.00 H new ATOM 591 N VAL A 41 8.650 0.515 6.558 1.00 0.00 N ATOM 592 CA VAL A 41 9.480 1.403 5.752 1.00 0.00 C ATOM 593 C VAL A 41 8.811 1.720 4.419 1.00 0.00 C ATOM 594 O VAL A 41 8.267 0.834 3.760 1.00 0.00 O ATOM 595 CB VAL A 41 10.866 0.788 5.484 1.00 0.00 C ATOM 596 CG1 VAL A 41 11.783 1.803 4.820 1.00 0.00 C ATOM 597 CG2 VAL A 41 11.479 0.270 6.776 1.00 0.00 C ATOM 0 H VAL A 41 8.950 -0.460 6.556 1.00 0.00 H new ATOM 0 HA VAL A 41 9.604 2.324 6.322 1.00 0.00 H new ATOM 0 HB VAL A 41 10.743 -0.054 4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.757 1.349 4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.349 2.120 3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.901 2.668 5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.458 -0.161 6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 41 11.588 1.093 7.482 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.831 -0.494 7.206 1.00 0.00 H new ATOM 607 N LEU A 42 8.856 2.989 4.028 1.00 0.00 N ATOM 608 CA LEU A 42 8.254 3.424 2.773 1.00 0.00 C ATOM 609 C LEU A 42 9.171 3.118 1.592 1.00 0.00 C ATOM 610 O LEU A 42 8.707 2.901 0.474 1.00 0.00 O ATOM 611 CB LEU A 42 7.948 4.922 2.821 1.00 0.00 C ATOM 612 CG LEU A 42 6.879 5.332 3.836 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.575 6.818 3.717 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.614 4.509 3.640 1.00 0.00 C ATOM 0 H LEU A 42 9.303 3.734 4.562 1.00 0.00 H new ATOM 0 HA LEU A 42 7.323 2.874 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.869 5.458 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.629 5.244 1.830 1.00 0.00 H new ATOM 0 HG LEU A 42 7.262 5.139 4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.813 7.093 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.482 7.391 3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.212 7.036 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.865 4.814 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.227 4.671 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.843 3.452 3.775 1.00 0.00 H new ATOM 626 N SER A 43 10.476 3.102 1.849 1.00 0.00 N ATOM 627 CA SER A 43 11.458 2.822 0.807 1.00 0.00 C ATOM 628 C SER A 43 11.182 1.475 0.145 1.00 0.00 C ATOM 629 O SER A 43 11.485 1.276 -1.031 1.00 0.00 O ATOM 630 CB SER A 43 12.871 2.837 1.391 1.00 0.00 C ATOM 631 OG SER A 43 13.845 2.963 0.369 1.00 0.00 O ATOM 0 H SER A 43 10.877 3.280 2.770 1.00 0.00 H new ATOM 0 HA SER A 43 11.378 3.601 0.049 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.968 3.664 2.094 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.045 1.919 1.952 1.00 0.00 H new ATOM 0 HG SER A 43 14.740 2.972 0.769 1.00 0.00 H new ATOM 637 N THR A 44 10.606 0.553 0.910 1.00 0.00 N ATOM 638 CA THR A 44 10.288 -0.775 0.398 1.00 0.00 C ATOM 639 C THR A 44 9.220 -0.699 -0.688 1.00 0.00 C ATOM 640 O THR A 44 9.190 -1.523 -1.602 1.00 0.00 O ATOM 641 CB THR A 44 9.813 -1.682 1.534 1.00 0.00 C ATOM 642 OG1 THR A 44 8.703 -1.111 2.201 1.00 0.00 O ATOM 643 CG2 THR A 44 10.882 -1.953 2.570 1.00 0.00 C ATOM 0 H THR A 44 10.350 0.701 1.886 1.00 0.00 H new ATOM 0 HA THR A 44 11.194 -1.195 -0.038 1.00 0.00 H new ATOM 0 HB THR A 44 9.544 -2.625 1.057 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.011 -0.397 2.797 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.479 -2.602 3.347 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.734 -2.440 2.095 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.205 -1.012 3.015 1.00 0.00 H new ATOM 651 N ILE A 45 8.344 0.296 -0.582 1.00 0.00 N ATOM 652 CA ILE A 45 7.275 0.479 -1.556 1.00 0.00 C ATOM 653 C ILE A 45 7.840 0.805 -2.935 1.00 0.00 C ATOM 654 O ILE A 45 8.942 1.340 -3.054 1.00 0.00 O ATOM 655 CB ILE A 45 6.309 1.602 -1.130 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.854 1.396 0.317 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.109 1.653 -2.064 1.00 0.00 C ATOM 658 CD1 ILE A 45 5.214 0.047 0.563 1.00 0.00 C ATOM 0 H ILE A 45 8.354 0.987 0.168 1.00 0.00 H new ATOM 0 HA ILE A 45 6.726 -0.461 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 45 6.836 2.554 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.713 1.508 0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.144 2.180 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.437 2.451 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.448 1.844 -3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.581 0.700 -2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.916 -0.029 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.335 -0.060 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.929 -0.743 0.331 1.00 0.00 H new ATOM 670 N ASP A 46 7.078 0.477 -3.974 1.00 0.00 N ATOM 671 CA ASP A 46 7.503 0.734 -5.345 1.00 0.00 C ATOM 672 C ASP A 46 6.490 1.609 -6.076 1.00 0.00 C ATOM 673 O ASP A 46 6.855 2.586 -6.729 1.00 0.00 O ATOM 674 CB ASP A 46 7.693 -0.584 -6.097 1.00 0.00 C ATOM 675 CG ASP A 46 8.620 -0.441 -7.289 1.00 0.00 C ATOM 676 OD1 ASP A 46 9.523 0.420 -7.239 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.442 -1.191 -8.272 1.00 0.00 O ATOM 0 H ASP A 46 6.163 0.033 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 46 8.454 1.265 -5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.095 -1.333 -5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.723 -0.949 -6.436 1.00 0.00 H new ATOM 682 N LYS A 47 5.215 1.251 -5.962 1.00 0.00 N ATOM 683 CA LYS A 47 4.149 2.001 -6.613 1.00 0.00 C ATOM 684 C LYS A 47 3.035 2.326 -5.619 1.00 0.00 C ATOM 685 O LYS A 47 2.925 1.697 -4.566 1.00 0.00 O ATOM 686 CB LYS A 47 3.603 1.203 -7.807 1.00 0.00 C ATOM 687 CG LYS A 47 2.090 1.257 -7.962 1.00 0.00 C ATOM 688 CD LYS A 47 1.630 0.517 -9.208 1.00 0.00 C ATOM 689 CE LYS A 47 1.142 -0.884 -8.876 1.00 0.00 C ATOM 690 NZ LYS A 47 0.746 -1.638 -10.098 1.00 0.00 N ATOM 0 H LYS A 47 4.896 0.445 -5.424 1.00 0.00 H new ATOM 0 HA LYS A 47 4.554 2.944 -6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.063 1.580 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.908 0.162 -7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.617 0.819 -7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.766 2.296 -8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.829 1.077 -9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.452 0.458 -9.921 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.928 -1.428 -8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.292 -0.821 -8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.419 -2.588 -9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.022 -1.132 -10.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.564 -1.721 -10.735 1.00 0.00 H new ATOM 704 N LEU A 48 2.213 3.312 -5.962 1.00 0.00 N ATOM 705 CA LEU A 48 1.107 3.722 -5.104 1.00 0.00 C ATOM 706 C LEU A 48 -0.217 3.661 -5.859 1.00 0.00 C ATOM 707 O LEU A 48 -0.354 4.234 -6.939 1.00 0.00 O ATOM 708 CB LEU A 48 1.345 5.138 -4.573 1.00 0.00 C ATOM 709 CG LEU A 48 1.854 5.213 -3.133 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.804 6.389 -2.962 1.00 0.00 C ATOM 711 CD2 LEU A 48 0.688 5.322 -2.162 1.00 0.00 C ATOM 0 H LEU A 48 2.292 3.843 -6.829 1.00 0.00 H new ATOM 0 HA LEU A 48 1.055 3.032 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.064 5.637 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.412 5.697 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 48 2.401 4.296 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.156 6.426 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.656 6.269 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.282 7.316 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.068 5.374 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.114 6.222 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.045 4.448 -2.265 1.00 0.00 H new ATOM 723 N GLN A 49 -1.190 2.961 -5.282 1.00 0.00 N ATOM 724 CA GLN A 49 -2.503 2.825 -5.901 1.00 0.00 C ATOM 725 C GLN A 49 -3.612 2.989 -4.867 1.00 0.00 C ATOM 726 O GLN A 49 -3.457 2.600 -3.710 1.00 0.00 O ATOM 727 CB GLN A 49 -2.628 1.464 -6.588 1.00 0.00 C ATOM 728 CG GLN A 49 -3.659 1.438 -7.704 1.00 0.00 C ATOM 729 CD GLN A 49 -3.312 0.444 -8.795 1.00 0.00 C ATOM 730 OE1 GLN A 49 -2.714 -0.599 -8.533 1.00 0.00 O ATOM 731 NE2 GLN A 49 -3.688 0.764 -10.028 1.00 0.00 N ATOM 0 H GLN A 49 -1.093 2.480 -4.388 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.608 3.612 -6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.657 1.181 -6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.892 0.713 -5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.634 1.188 -7.287 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.744 2.434 -8.139 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.182 1.640 -10.199 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.483 0.134 -10.803 1.00 0.00 H new ATOM 740 N ALA A 50 -4.730 3.567 -5.293 1.00 0.00 N ATOM 741 CA ALA A 50 -5.865 3.782 -4.404 1.00 0.00 C ATOM 742 C ALA A 50 -7.179 3.772 -5.177 1.00 0.00 C ATOM 743 O ALA A 50 -7.188 3.833 -6.407 1.00 0.00 O ATOM 744 CB ALA A 50 -5.704 5.094 -3.651 1.00 0.00 C ATOM 0 H ALA A 50 -4.874 3.895 -6.248 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.891 2.963 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.559 5.242 -2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.789 5.064 -3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.649 5.918 -4.363 1.00 0.00 H new ATOM 750 N THR A 51 -8.288 3.694 -4.449 1.00 0.00 N ATOM 751 CA THR A 51 -9.609 3.676 -5.066 1.00 0.00 C ATOM 752 C THR A 51 -9.973 5.053 -5.616 1.00 0.00 C ATOM 753 O THR A 51 -9.479 6.073 -5.135 1.00 0.00 O ATOM 754 CB THR A 51 -10.662 3.225 -4.053 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.880 4.228 -3.076 1.00 0.00 O ATOM 756 CG2 THR A 51 -10.287 1.951 -3.326 1.00 0.00 C ATOM 0 H THR A 51 -8.298 3.642 -3.430 1.00 0.00 H new ATOM 0 HA THR A 51 -9.585 2.968 -5.895 1.00 0.00 H new ATOM 0 HB THR A 51 -11.563 3.039 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.731 4.061 -2.620 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.077 1.687 -2.623 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.160 1.144 -4.048 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.354 2.103 -2.783 1.00 0.00 H new ATOM 764 N PRO A 52 -10.846 5.100 -6.637 1.00 0.00 N ATOM 765 CA PRO A 52 -11.275 6.361 -7.252 1.00 0.00 C ATOM 766 C PRO A 52 -12.160 7.186 -6.324 1.00 0.00 C ATOM 767 O PRO A 52 -12.661 6.683 -5.318 1.00 0.00 O ATOM 768 CB PRO A 52 -12.065 5.907 -8.481 1.00 0.00 C ATOM 769 CG PRO A 52 -12.549 4.541 -8.138 1.00 0.00 C ATOM 770 CD PRO A 52 -11.484 3.930 -7.270 1.00 0.00 C ATOM 0 HA PRO A 52 -10.430 7.008 -7.488 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.896 6.581 -8.688 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.437 5.892 -9.372 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.503 4.586 -7.612 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.708 3.946 -9.037 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.909 3.254 -6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.770 3.352 -7.857 1.00 0.00 H new ATOM 778 N ALA A 53 -12.348 8.456 -6.669 1.00 0.00 N ATOM 779 CA ALA A 53 -13.173 9.351 -5.867 1.00 0.00 C ATOM 780 C ALA A 53 -14.653 9.017 -6.016 1.00 0.00 C ATOM 781 O ALA A 53 -15.441 9.214 -5.091 1.00 0.00 O ATOM 782 CB ALA A 53 -12.915 10.798 -6.259 1.00 0.00 C ATOM 0 H ALA A 53 -11.940 8.888 -7.498 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.901 9.214 -4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.537 11.456 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.865 11.038 -6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.158 10.938 -7.312 1.00 0.00 H new ATOM 788 N SER A 54 -15.025 8.510 -7.187 1.00 0.00 N ATOM 789 CA SER A 54 -16.412 8.148 -7.457 1.00 0.00 C ATOM 790 C SER A 54 -16.849 6.978 -6.582 1.00 0.00 C ATOM 791 O SER A 54 -18.016 6.873 -6.206 1.00 0.00 O ATOM 792 CB SER A 54 -16.589 7.790 -8.934 1.00 0.00 C ATOM 793 OG SER A 54 -16.305 8.902 -9.766 1.00 0.00 O ATOM 0 H SER A 54 -14.386 8.341 -7.964 1.00 0.00 H new ATOM 0 HA SER A 54 -17.039 9.008 -7.221 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.930 6.961 -9.192 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.610 7.452 -9.110 1.00 0.00 H new ATOM 0 HG SER A 54 -16.424 8.647 -10.705 1.00 0.00 H new ATOM 799 N SER A 55 -15.904 6.099 -6.262 1.00 0.00 N ATOM 800 CA SER A 55 -16.192 4.936 -5.431 1.00 0.00 C ATOM 801 C SER A 55 -16.568 5.359 -4.015 1.00 0.00 C ATOM 802 O SER A 55 -15.879 6.168 -3.394 1.00 0.00 O ATOM 803 CB SER A 55 -14.982 4.000 -5.392 1.00 0.00 C ATOM 804 OG SER A 55 -15.068 3.013 -6.404 1.00 0.00 O ATOM 0 H SER A 55 -14.933 6.170 -6.566 1.00 0.00 H new ATOM 0 HA SER A 55 -17.038 4.407 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.067 4.578 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.921 3.520 -4.415 1.00 0.00 H new ATOM 0 HG SER A 55 -14.282 2.429 -6.359 1.00 0.00 H new ATOM 810 N GLU A 56 -17.667 4.807 -3.510 1.00 0.00 N ATOM 811 CA GLU A 56 -18.135 5.128 -2.167 1.00 0.00 C ATOM 812 C GLU A 56 -17.086 4.760 -1.123 1.00 0.00 C ATOM 813 O GLU A 56 -16.656 5.604 -0.336 1.00 0.00 O ATOM 814 CB GLU A 56 -19.444 4.393 -1.872 1.00 0.00 C ATOM 815 CG GLU A 56 -20.684 5.176 -2.271 1.00 0.00 C ATOM 816 CD GLU A 56 -21.859 4.278 -2.605 1.00 0.00 C ATOM 817 OE1 GLU A 56 -22.577 3.868 -1.669 1.00 0.00 O ATOM 818 OE2 GLU A 56 -22.060 3.983 -3.802 1.00 0.00 O ATOM 0 H GLU A 56 -18.249 4.136 -4.011 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.310 6.203 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.442 3.439 -2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.493 4.169 -0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.963 5.846 -1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -20.453 5.801 -3.134 1.00 0.00 H new ATOM 825 N LYS A 57 -16.678 3.495 -1.121 1.00 0.00 N ATOM 826 CA LYS A 57 -15.679 3.016 -0.173 1.00 0.00 C ATOM 827 C LYS A 57 -14.320 3.653 -0.447 1.00 0.00 C ATOM 828 O LYS A 57 -13.746 3.478 -1.522 1.00 0.00 O ATOM 829 CB LYS A 57 -15.565 1.492 -0.248 1.00 0.00 C ATOM 830 CG LYS A 57 -14.582 0.907 0.752 1.00 0.00 C ATOM 831 CD LYS A 57 -15.290 0.398 1.998 1.00 0.00 C ATOM 832 CE LYS A 57 -14.620 -0.849 2.550 1.00 0.00 C ATOM 833 NZ LYS A 57 -15.614 -1.835 3.058 1.00 0.00 N ATOM 0 H LYS A 57 -17.024 2.784 -1.765 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.999 3.301 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.548 1.053 -0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.259 1.208 -1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.031 0.090 0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.851 1.666 1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.293 1.178 2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.331 0.178 1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.016 -1.312 1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.941 -0.570 3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.117 -2.671 3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.174 -1.402 3.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.246 -2.121 2.283 1.00 0.00 H new ATOM 847 N MET A 58 -13.811 4.393 0.533 1.00 0.00 N ATOM 848 CA MET A 58 -12.520 5.056 0.398 1.00 0.00 C ATOM 849 C MET A 58 -11.404 4.202 0.992 1.00 0.00 C ATOM 850 O MET A 58 -11.353 3.983 2.202 1.00 0.00 O ATOM 851 CB MET A 58 -12.551 6.423 1.084 1.00 0.00 C ATOM 852 CG MET A 58 -13.323 7.477 0.307 1.00 0.00 C ATOM 853 SD MET A 58 -15.005 7.696 0.917 1.00 0.00 S ATOM 854 CE MET A 58 -14.694 8.496 2.489 1.00 0.00 C ATOM 0 H MET A 58 -14.273 4.548 1.429 1.00 0.00 H new ATOM 0 HA MET A 58 -12.321 5.194 -0.665 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.996 6.314 2.073 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.528 6.769 1.232 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.793 8.427 0.366 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.356 7.195 -0.745 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.585 9.038 2.804 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.444 7.744 3.237 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.863 9.194 2.384 1.00 0.00 H new ATOM 864 N MET A 59 -10.512 3.722 0.131 1.00 0.00 N ATOM 865 CA MET A 59 -9.396 2.892 0.570 1.00 0.00 C ATOM 866 C MET A 59 -8.192 3.069 -0.349 1.00 0.00 C ATOM 867 O MET A 59 -8.311 3.617 -1.445 1.00 0.00 O ATOM 868 CB MET A 59 -9.812 1.420 0.607 1.00 0.00 C ATOM 869 CG MET A 59 -10.984 1.143 1.535 1.00 0.00 C ATOM 870 SD MET A 59 -11.028 -0.567 2.106 1.00 0.00 S ATOM 871 CE MET A 59 -11.360 -1.428 0.570 1.00 0.00 C ATOM 0 H MET A 59 -10.540 3.894 -0.874 1.00 0.00 H new ATOM 0 HA MET A 59 -9.113 3.208 1.574 1.00 0.00 H new ATOM 0 HB2 MET A 59 -10.074 1.099 -0.401 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.960 0.818 0.922 1.00 0.00 H new ATOM 0 HG2 MET A 59 -10.926 1.808 2.396 1.00 0.00 H new ATOM 0 HG3 MET A 59 -11.915 1.373 1.017 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.944 -2.434 0.620 1.00 0.00 H new ATOM 0 HE2 MET A 59 -12.437 -1.488 0.412 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.902 -0.886 -0.257 1.00 0.00 H new ATOM 881 N LEU A 60 -7.033 2.602 0.104 1.00 0.00 N ATOM 882 CA LEU A 60 -5.807 2.710 -0.678 1.00 0.00 C ATOM 883 C LEU A 60 -5.027 1.399 -0.652 1.00 0.00 C ATOM 884 O LEU A 60 -5.295 0.522 0.169 1.00 0.00 O ATOM 885 CB LEU A 60 -4.935 3.847 -0.144 1.00 0.00 C ATOM 886 CG LEU A 60 -3.807 4.291 -1.078 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.620 5.799 -1.013 1.00 0.00 C ATOM 888 CD2 LEU A 60 -2.511 3.575 -0.725 1.00 0.00 C ATOM 0 H LEU A 60 -6.917 2.145 1.009 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.082 2.927 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.572 4.706 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.499 3.535 0.805 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.081 4.025 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.814 6.095 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.543 6.293 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.369 6.091 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.719 3.902 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.233 3.810 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.651 2.499 -0.825 1.00 0.00 H new ATOM 900 N ARG A 61 -4.061 1.273 -1.557 1.00 0.00 N ATOM 901 CA ARG A 61 -3.242 0.070 -1.638 1.00 0.00 C ATOM 902 C ARG A 61 -1.810 0.412 -2.036 1.00 0.00 C ATOM 903 O ARG A 61 -1.579 1.116 -3.019 1.00 0.00 O ATOM 904 CB ARG A 61 -3.843 -0.914 -2.644 1.00 0.00 C ATOM 905 CG ARG A 61 -3.805 -2.361 -2.178 1.00 0.00 C ATOM 906 CD ARG A 61 -2.615 -3.104 -2.763 1.00 0.00 C ATOM 907 NE ARG A 61 -2.982 -3.882 -3.944 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.597 -5.061 -3.893 1.00 0.00 C ATOM 909 NH1 ARG A 61 -3.916 -5.602 -2.724 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.895 -5.702 -5.015 1.00 0.00 N ATOM 0 H ARG A 61 -3.827 1.990 -2.244 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.224 -0.395 -0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.877 -0.632 -2.842 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.304 -0.831 -3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.756 -2.393 -1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.728 -2.863 -2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.836 -2.389 -3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.195 -3.768 -2.007 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.753 -3.499 -4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.690 -5.114 -1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.387 -6.506 -2.692 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.653 -5.291 -5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.366 -6.606 -4.976 1.00 0.00 H new ATOM 924 N LEU A 62 -0.851 -0.092 -1.266 1.00 0.00 N ATOM 925 CA LEU A 62 0.559 0.159 -1.538 1.00 0.00 C ATOM 926 C LEU A 62 1.234 -1.087 -2.102 1.00 0.00 C ATOM 927 O LEU A 62 1.066 -2.187 -1.578 1.00 0.00 O ATOM 928 CB LEU A 62 1.275 0.606 -0.261 1.00 0.00 C ATOM 929 CG LEU A 62 0.697 1.857 0.401 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.960 1.837 1.899 1.00 0.00 C ATOM 931 CD2 LEU A 62 1.282 3.111 -0.229 1.00 0.00 C ATOM 0 H LEU A 62 -1.025 -0.677 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 62 0.624 0.954 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.248 -0.213 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.324 0.789 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.381 1.865 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.542 2.735 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.493 0.956 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.035 1.806 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.860 3.992 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.365 3.111 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.042 3.130 -1.292 1.00 0.00 H new ATOM 943 N ILE A 63 1.997 -0.906 -3.175 1.00 0.00 N ATOM 944 CA ILE A 63 2.697 -2.016 -3.810 1.00 0.00 C ATOM 945 C ILE A 63 4.203 -1.905 -3.605 1.00 0.00 C ATOM 946 O ILE A 63 4.777 -0.821 -3.714 1.00 0.00 O ATOM 947 CB ILE A 63 2.400 -2.079 -5.321 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.900 -1.923 -5.579 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.909 -3.388 -5.905 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.059 -2.995 -4.921 1.00 0.00 C ATOM 0 H ILE A 63 2.146 -0.002 -3.623 1.00 0.00 H new ATOM 0 HA ILE A 63 2.334 -2.929 -3.338 1.00 0.00 H new ATOM 0 HB ILE A 63 2.920 -1.256 -5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.577 -0.947 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.721 -1.941 -6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.692 -3.419 -6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.986 -3.461 -5.751 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.414 -4.224 -5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.993 -2.821 -5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.355 -3.973 -5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.209 -2.964 -3.842 1.00 0.00 H new ATOM 962 N GLY A 64 4.839 -3.033 -3.306 1.00 0.00 N ATOM 963 CA GLY A 64 6.274 -3.041 -3.089 1.00 0.00 C ATOM 964 C GLY A 64 7.046 -3.456 -4.326 1.00 0.00 C ATOM 965 O GLY A 64 6.456 -3.722 -5.374 1.00 0.00 O ATOM 0 H GLY A 64 4.386 -3.942 -3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.597 -2.047 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.511 -3.722 -2.271 1.00 0.00 H new ATOM 969 N LYS A 65 8.368 -3.513 -4.205 1.00 0.00 N ATOM 970 CA LYS A 65 9.222 -3.899 -5.322 1.00 0.00 C ATOM 971 C LYS A 65 9.359 -5.415 -5.404 1.00 0.00 C ATOM 972 O LYS A 65 8.692 -6.149 -4.675 1.00 0.00 O ATOM 973 CB LYS A 65 10.604 -3.258 -5.180 1.00 0.00 C ATOM 974 CG LYS A 65 10.556 -1.772 -4.862 1.00 0.00 C ATOM 975 CD LYS A 65 11.811 -1.317 -4.135 1.00 0.00 C ATOM 976 CE LYS A 65 12.162 0.122 -4.477 1.00 0.00 C ATOM 977 NZ LYS A 65 12.734 0.245 -5.846 1.00 0.00 N ATOM 0 H LYS A 65 8.871 -3.297 -3.345 1.00 0.00 H new ATOM 0 HA LYS A 65 8.757 -3.544 -6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.154 -3.772 -4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.160 -3.405 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.444 -1.205 -5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.681 -1.558 -4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.664 -1.411 -3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.643 -1.969 -4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.268 0.741 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.878 0.504 -3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.130 1.198 -5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.486 -0.462 -5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.986 0.085 -6.550 1.00 0.00 H new ATOM 1294 N GLN A 85 4.812 -7.528 -2.975 1.00 0.00 N ATOM 1295 CA GLN A 85 4.060 -7.273 -1.752 1.00 0.00 C ATOM 1296 C GLN A 85 3.090 -6.111 -1.942 1.00 0.00 C ATOM 1297 O GLN A 85 3.500 -4.993 -2.252 1.00 0.00 O ATOM 1298 CB GLN A 85 5.014 -6.972 -0.595 1.00 0.00 C ATOM 1299 CG GLN A 85 5.897 -5.759 -0.835 1.00 0.00 C ATOM 1300 CD GLN A 85 6.949 -5.582 0.242 1.00 0.00 C ATOM 1301 OE1 GLN A 85 7.974 -6.265 0.244 1.00 0.00 O ATOM 1302 NE2 GLN A 85 6.701 -4.662 1.167 1.00 0.00 N ATOM 0 HA GLN A 85 3.485 -8.168 -1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.432 -6.814 0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.646 -7.843 -0.420 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.387 -5.857 -1.804 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.275 -4.865 -0.881 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.839 -4.118 1.127 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.373 -4.499 1.917 1.00 0.00 H new ATOM 1311 N ARG A 86 1.803 -6.385 -1.755 1.00 0.00 N ATOM 1312 CA ARG A 86 0.774 -5.362 -1.907 1.00 0.00 C ATOM 1313 C ARG A 86 -0.065 -5.242 -0.638 1.00 0.00 C ATOM 1314 O ARG A 86 -0.752 -6.184 -0.246 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.128 -5.687 -3.099 1.00 0.00 C ATOM 1316 CG ARG A 86 0.634 -6.134 -4.336 1.00 0.00 C ATOM 1317 CD ARG A 86 0.852 -7.639 -4.348 1.00 0.00 C ATOM 1318 NE ARG A 86 -0.354 -8.366 -4.742 1.00 0.00 N ATOM 1319 CZ ARG A 86 -1.223 -8.896 -3.881 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -1.036 -8.778 -2.572 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -2.287 -9.545 -4.333 1.00 0.00 N ATOM 0 H ARG A 86 1.448 -7.306 -1.498 1.00 0.00 H new ATOM 0 HA ARG A 86 1.270 -4.408 -2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.828 -6.471 -2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.720 -4.806 -3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.083 -5.839 -5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.598 -5.626 -4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.662 -7.882 -5.035 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.165 -7.967 -3.357 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.542 -8.474 -5.739 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.221 -8.278 -2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.707 -9.187 -1.922 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.439 -9.638 -5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.953 -9.951 -3.676 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.004 -4.076 -0.002 1.00 0.00 N ATOM 1336 CA HIS A 87 -0.759 -3.833 1.222 1.00 0.00 C ATOM 1337 C HIS A 87 -1.952 -2.921 0.952 1.00 0.00 C ATOM 1338 O HIS A 87 -1.883 -2.026 0.110 1.00 0.00 O ATOM 1339 CB HIS A 87 0.144 -3.210 2.288 1.00 0.00 C ATOM 1340 CG HIS A 87 1.308 -4.073 2.664 1.00 0.00 C ATOM 1341 ND1 HIS A 87 1.263 -4.992 3.691 1.00 0.00 N ATOM 1342 CD2 HIS A 87 2.556 -4.153 2.144 1.00 0.00 C ATOM 1343 CE1 HIS A 87 2.433 -5.600 3.787 1.00 0.00 C ATOM 1344 NE2 HIS A 87 3.234 -5.109 2.860 1.00 0.00 N ATOM 0 H HIS A 87 0.560 -3.285 -0.314 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.131 -4.790 1.587 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.515 -2.252 1.924 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.448 -3.004 3.180 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.945 -3.573 1.320 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.690 -6.368 4.502 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.201 -5.394 2.701 1.00 0.00 H new ATOM 1353 N MET A 88 -3.045 -3.155 1.672 1.00 0.00 N ATOM 1354 CA MET A 88 -4.253 -2.354 1.509 1.00 0.00 C ATOM 1355 C MET A 88 -4.581 -1.597 2.791 1.00 0.00 C ATOM 1356 O MET A 88 -4.281 -2.060 3.892 1.00 0.00 O ATOM 1357 CB MET A 88 -5.431 -3.246 1.114 1.00 0.00 C ATOM 1358 CG MET A 88 -5.769 -4.303 2.153 1.00 0.00 C ATOM 1359 SD MET A 88 -7.484 -4.849 2.057 1.00 0.00 S ATOM 1360 CE MET A 88 -8.348 -3.318 2.398 1.00 0.00 C ATOM 0 H MET A 88 -3.119 -3.892 2.373 1.00 0.00 H new ATOM 0 HA MET A 88 -4.074 -1.628 0.716 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.308 -2.621 0.945 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.203 -3.738 0.168 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.111 -5.161 2.020 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.574 -3.904 3.148 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.158 -3.189 1.680 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.759 -3.349 3.407 1.00 0.00 H new ATOM 0 HE3 MET A 88 -7.653 -2.482 2.315 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.200 -0.430 2.641 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.571 0.392 3.787 1.00 0.00 C ATOM 1372 C PHE A 89 -6.931 1.047 3.569 1.00 0.00 C ATOM 1373 O PHE A 89 -7.315 1.340 2.437 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.509 1.464 4.037 1.00 0.00 C ATOM 1375 CG PHE A 89 -3.420 1.024 4.973 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.332 0.307 4.502 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.485 1.326 6.323 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.328 -0.099 5.360 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.485 0.923 7.187 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.405 0.209 6.705 1.00 0.00 C ATOM 0 H PHE A 89 -5.455 -0.033 1.737 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.636 -0.255 4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.064 1.752 3.085 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.991 2.353 4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.268 0.063 3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.328 1.883 6.705 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.484 -0.656 4.980 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.548 1.166 8.238 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.622 -0.108 7.378 1.00 0.00 H new ATOM 1390 N SER A 90 -7.656 1.272 4.660 1.00 0.00 N ATOM 1391 CA SER A 90 -8.974 1.892 4.587 1.00 0.00 C ATOM 1392 C SER A 90 -8.928 3.330 5.093 1.00 0.00 C ATOM 1393 O SER A 90 -8.162 3.656 5.999 1.00 0.00 O ATOM 1394 CB SER A 90 -9.986 1.084 5.401 1.00 0.00 C ATOM 1395 OG SER A 90 -11.234 1.010 4.735 1.00 0.00 O ATOM 0 H SER A 90 -7.353 1.034 5.605 1.00 0.00 H new ATOM 0 HA SER A 90 -9.285 1.904 3.542 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.601 0.079 5.571 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.120 1.544 6.380 1.00 0.00 H new ATOM 0 HG SER A 90 -11.185 0.340 4.022 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.754 4.187 4.500 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.808 5.591 4.890 1.00 0.00 C ATOM 1403 C PHE A 91 -11.244 6.105 4.872 1.00 0.00 C ATOM 1404 O PHE A 91 -12.032 5.744 3.998 1.00 0.00 O ATOM 1405 CB PHE A 91 -8.940 6.436 3.956 1.00 0.00 C ATOM 1406 CG PHE A 91 -7.466 6.253 4.176 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -6.812 5.135 3.683 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -6.734 7.199 4.876 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -5.455 4.964 3.884 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -5.377 7.033 5.080 1.00 0.00 C ATOM 1411 CZ PHE A 91 -4.737 5.914 4.584 1.00 0.00 C ATOM 0 H PHE A 91 -10.395 3.933 3.748 1.00 0.00 H new ATOM 0 HA PHE A 91 -9.423 5.675 5.906 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.179 6.183 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.191 7.488 4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.369 4.389 3.136 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.229 8.076 5.266 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.957 4.089 3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.818 7.778 5.627 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.677 5.782 4.743 1.00 0.00 H new ATOM 1421 N ASN A 92 -11.577 6.949 5.843 1.00 0.00 N ATOM 1422 CA ASN A 92 -12.919 7.513 5.939 1.00 0.00 C ATOM 1423 C ASN A 92 -12.922 8.983 5.529 1.00 0.00 C ATOM 1424 O ASN A 92 -13.701 9.781 6.051 1.00 0.00 O ATOM 1425 CB ASN A 92 -13.456 7.367 7.363 1.00 0.00 C ATOM 1426 CG ASN A 92 -13.591 5.917 7.785 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -13.835 5.039 6.958 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -13.432 5.659 9.078 1.00 0.00 N ATOM 0 H ASN A 92 -10.936 7.258 6.574 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.567 6.963 5.257 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -12.790 7.883 8.054 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -14.428 7.855 7.433 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -13.511 4.701 9.420 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.231 6.418 9.729 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.046 9.333 4.593 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.949 10.707 4.113 1.00 0.00 C ATOM 1437 C ASN A 93 -11.043 10.792 2.889 1.00 0.00 C ATOM 1438 O ASN A 93 -9.831 10.598 2.986 1.00 0.00 O ATOM 1439 CB ASN A 93 -11.417 11.619 5.220 1.00 0.00 C ATOM 1440 CG ASN A 93 -12.530 12.264 6.022 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -12.721 11.959 7.199 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -13.273 13.163 5.386 1.00 0.00 N ATOM 0 H ASN A 93 -11.393 8.685 4.152 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.948 11.038 3.828 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.779 11.041 5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.794 12.396 4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -14.037 13.631 5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.080 13.386 4.410 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.639 11.083 1.737 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.885 11.193 0.493 1.00 0.00 C ATOM 1451 C ARG A 94 -9.842 12.302 0.586 1.00 0.00 C ATOM 1452 O ARG A 94 -8.778 12.219 -0.027 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.831 11.463 -0.678 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.134 11.493 -2.029 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.100 11.840 -3.150 1.00 0.00 C ATOM 1456 NE ARG A 94 -12.676 13.173 -2.985 1.00 0.00 N ATOM 1457 CZ ARG A 94 -13.774 13.429 -2.276 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -14.422 12.447 -1.659 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -14.226 14.672 -2.183 1.00 0.00 N ATOM 0 H ARG A 94 -12.641 11.247 1.639 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.370 10.248 0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.604 10.695 -0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.333 12.417 -0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.325 12.224 -2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.680 10.522 -2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.580 11.786 -4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.900 11.101 -3.180 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.208 13.956 -3.441 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -14.079 11.489 -1.726 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -15.262 12.651 -1.118 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.733 15.431 -2.654 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.067 14.870 -1.640 1.00 0.00 H new ATOM 1473 N THR A 95 -10.155 13.340 1.355 1.00 0.00 N ATOM 1474 CA THR A 95 -9.244 14.465 1.528 1.00 0.00 C ATOM 1475 C THR A 95 -7.978 14.033 2.260 1.00 0.00 C ATOM 1476 O THR A 95 -6.891 14.547 1.996 1.00 0.00 O ATOM 1477 CB THR A 95 -9.933 15.593 2.298 1.00 0.00 C ATOM 1478 OG1 THR A 95 -11.126 15.990 1.645 1.00 0.00 O ATOM 1479 CG2 THR A 95 -9.067 16.823 2.461 1.00 0.00 C ATOM 0 H THR A 95 -11.032 13.425 1.868 1.00 0.00 H new ATOM 0 HA THR A 95 -8.964 14.828 0.539 1.00 0.00 H new ATOM 0 HB THR A 95 -10.141 15.183 3.286 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.553 16.711 2.153 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.616 17.584 3.016 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.160 16.560 3.006 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.800 17.212 1.479 1.00 0.00 H new ATOM 1487 N VAL A 96 -8.127 13.087 3.181 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.995 12.586 3.951 1.00 0.00 C ATOM 1489 C VAL A 96 -6.163 11.605 3.130 1.00 0.00 C ATOM 1490 O VAL A 96 -4.934 11.629 3.177 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.459 11.890 5.246 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.265 11.512 6.109 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.422 12.781 6.017 1.00 0.00 C ATOM 0 H VAL A 96 -9.020 12.652 3.412 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.383 13.449 4.211 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.985 10.975 4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.614 11.022 7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.617 10.832 5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.707 12.411 6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.738 12.272 6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.924 13.715 6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.294 12.994 5.399 1.00 0.00 H new ATOM 1503 N MET A 97 -6.843 10.745 2.379 1.00 0.00 N ATOM 1504 CA MET A 97 -6.166 9.756 1.547 1.00 0.00 C ATOM 1505 C MET A 97 -5.261 10.434 0.524 1.00 0.00 C ATOM 1506 O MET A 97 -4.225 9.890 0.140 1.00 0.00 O ATOM 1507 CB MET A 97 -7.191 8.872 0.833 1.00 0.00 C ATOM 1508 CG MET A 97 -6.571 7.691 0.104 1.00 0.00 C ATOM 1509 SD MET A 97 -7.717 6.311 -0.080 1.00 0.00 S ATOM 1510 CE MET A 97 -8.677 6.855 -1.491 1.00 0.00 C ATOM 0 H MET A 97 -7.861 10.713 2.329 1.00 0.00 H new ATOM 0 HA MET A 97 -5.549 9.134 2.195 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.910 8.501 1.563 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.747 9.479 0.118 1.00 0.00 H new ATOM 0 HG2 MET A 97 -6.235 8.013 -0.881 1.00 0.00 H new ATOM 0 HG3 MET A 97 -5.688 7.355 0.648 1.00 0.00 H new ATOM 0 HE1 MET A 97 -9.431 6.105 -1.729 1.00 0.00 H new ATOM 0 HE2 MET A 97 -9.167 7.800 -1.255 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.018 6.992 -2.348 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.659 11.623 0.085 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.883 12.375 -0.895 1.00 0.00 C ATOM 1522 C ASP A 98 -3.623 12.955 -0.261 1.00 0.00 C ATOM 1523 O ASP A 98 -2.593 13.096 -0.921 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.731 13.499 -1.493 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.415 13.745 -2.956 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.277 14.161 -3.256 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.308 13.522 -3.801 1.00 0.00 O ATOM 0 H ASP A 98 -6.514 12.087 0.392 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.586 11.691 -1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.787 13.249 -1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.564 14.416 -0.929 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.712 13.289 1.022 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.578 13.854 1.745 1.00 0.00 C ATOM 1534 C ASN A 99 -1.508 12.796 1.991 1.00 0.00 C ATOM 1535 O ASN A 99 -0.312 13.072 1.889 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.040 14.448 3.077 1.00 0.00 C ATOM 1537 CG ASN A 99 -3.448 15.902 2.951 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -4.608 16.255 3.164 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -2.493 16.757 2.603 1.00 0.00 N ATOM 0 H ASN A 99 -4.557 13.178 1.582 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.147 14.646 1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.882 13.869 3.457 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.237 14.361 3.809 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.708 17.749 2.503 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.544 16.422 2.436 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.945 11.583 2.315 1.00 0.00 N ATOM 1547 CA ILE A 100 -1.025 10.483 2.576 1.00 0.00 C ATOM 1548 C ILE A 100 -0.388 9.982 1.284 1.00 0.00 C ATOM 1549 O ILE A 100 0.836 9.925 1.166 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.737 9.308 3.273 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -2.529 9.807 4.483 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -0.728 8.249 3.692 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.659 10.377 5.582 1.00 0.00 C ATOM 0 H ILE A 100 -2.931 11.338 2.403 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.248 10.870 3.236 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.435 8.857 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.234 10.571 4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.117 8.983 4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.247 7.426 4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.206 7.875 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.007 8.686 4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.288 10.711 6.407 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.972 9.609 5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.090 11.222 5.194 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.226 9.621 0.318 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.746 9.123 -0.967 1.00 0.00 C ATOM 1567 C LYS A 101 0.164 10.145 -1.643 1.00 0.00 C ATOM 1568 O LYS A 101 1.240 9.803 -2.133 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.926 8.790 -1.881 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.510 8.230 -3.232 1.00 0.00 C ATOM 1571 CD LYS A 101 -2.430 8.712 -4.342 1.00 0.00 C ATOM 1572 CE LYS A 101 -3.524 7.698 -4.639 1.00 0.00 C ATOM 1573 NZ LYS A 101 -3.189 6.848 -5.814 1.00 0.00 N ATOM 0 H LYS A 101 -2.242 9.664 0.400 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.169 8.216 -0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.570 8.067 -1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.519 9.691 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.485 8.530 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.522 7.141 -3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.881 9.662 -4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.848 8.895 -5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.679 7.065 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.462 8.220 -4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.960 6.170 -5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.066 7.449 -6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.307 6.330 -5.627 1.00 0.00 H new ATOM 1587 N MET A 102 -0.277 11.398 -1.667 1.00 0.00 N ATOM 1588 CA MET A 102 0.498 12.469 -2.283 1.00 0.00 C ATOM 1589 C MET A 102 1.859 12.614 -1.609 1.00 0.00 C ATOM 1590 O MET A 102 2.881 12.765 -2.278 1.00 0.00 O ATOM 1591 CB MET A 102 -0.267 13.791 -2.204 1.00 0.00 C ATOM 1592 CG MET A 102 0.465 14.958 -2.846 1.00 0.00 C ATOM 1593 SD MET A 102 -0.658 16.170 -3.568 1.00 0.00 S ATOM 1594 CE MET A 102 -1.856 16.349 -2.250 1.00 0.00 C ATOM 0 H MET A 102 -1.167 11.697 -1.267 1.00 0.00 H new ATOM 0 HA MET A 102 0.657 12.212 -3.330 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.236 13.670 -2.689 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.461 14.026 -1.158 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.088 15.447 -2.097 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.133 14.581 -3.620 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.491 17.212 -2.450 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.471 15.451 -2.193 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.336 16.493 -1.303 1.00 0.00 H new ATOM 1604 N THR A 103 1.863 12.568 -0.281 1.00 0.00 N ATOM 1605 CA THR A 103 3.098 12.694 0.484 1.00 0.00 C ATOM 1606 C THR A 103 3.981 11.463 0.300 1.00 0.00 C ATOM 1607 O THR A 103 5.205 11.570 0.230 1.00 0.00 O ATOM 1608 CB THR A 103 2.784 12.894 1.968 1.00 0.00 C ATOM 1609 OG1 THR A 103 1.967 14.036 2.157 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.020 13.068 2.824 1.00 0.00 C ATOM 0 H THR A 103 1.025 12.444 0.288 1.00 0.00 H new ATOM 0 HA THR A 103 3.639 13.565 0.113 1.00 0.00 H new ATOM 0 HB THR A 103 2.271 11.984 2.280 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.102 13.762 2.528 1.00 0.00 H new ATOM 0 HG21 THR A 103 3.726 13.205 3.864 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.649 12.182 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.576 13.942 2.486 1.00 0.00 H new ATOM 1618 N LEU A 104 3.351 10.296 0.222 1.00 0.00 N ATOM 1619 CA LEU A 104 4.079 9.045 0.047 1.00 0.00 C ATOM 1620 C LEU A 104 4.699 8.966 -1.345 1.00 0.00 C ATOM 1621 O LEU A 104 5.841 8.536 -1.504 1.00 0.00 O ATOM 1622 CB LEU A 104 3.147 7.852 0.277 1.00 0.00 C ATOM 1623 CG LEU A 104 3.643 6.833 1.304 1.00 0.00 C ATOM 1624 CD1 LEU A 104 2.474 6.242 2.077 1.00 0.00 C ATOM 1625 CD2 LEU A 104 4.442 5.734 0.620 1.00 0.00 C ATOM 0 H LEU A 104 2.338 10.190 0.277 1.00 0.00 H new ATOM 0 HA LEU A 104 4.883 9.014 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.175 8.226 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.993 7.342 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 104 4.297 7.345 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.846 5.519 2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.942 7.038 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.795 5.744 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.787 5.018 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.811 5.224 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.301 6.171 0.112 1.00 0.00 H new ATOM 1637 N GLN A 105 3.936 9.383 -2.352 1.00 0.00 N ATOM 1638 CA GLN A 105 4.409 9.359 -3.732 1.00 0.00 C ATOM 1639 C GLN A 105 5.697 10.164 -3.884 1.00 0.00 C ATOM 1640 O GLN A 105 6.531 9.864 -4.738 1.00 0.00 O ATOM 1641 CB GLN A 105 3.336 9.914 -4.670 1.00 0.00 C ATOM 1642 CG GLN A 105 2.317 8.875 -5.111 1.00 0.00 C ATOM 1643 CD GLN A 105 2.902 7.855 -6.067 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.105 7.595 -6.057 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.050 7.270 -6.902 1.00 0.00 N ATOM 0 H GLN A 105 2.988 9.741 -2.238 1.00 0.00 H new ATOM 0 HA GLN A 105 4.617 8.323 -3.998 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.816 10.732 -4.171 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.819 10.335 -5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.924 8.362 -4.234 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.476 9.376 -5.590 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.060 7.516 -6.876 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.386 6.575 -7.569 1.00 0.00 H new ATOM 1654 N GLN A 106 5.852 11.187 -3.050 1.00 0.00 N ATOM 1655 CA GLN A 106 7.038 12.035 -3.094 1.00 0.00 C ATOM 1656 C GLN A 106 8.249 11.312 -2.514 1.00 0.00 C ATOM 1657 O GLN A 106 9.384 11.554 -2.925 1.00 0.00 O ATOM 1658 CB GLN A 106 6.789 13.334 -2.325 1.00 0.00 C ATOM 1659 CG GLN A 106 6.050 14.388 -3.134 1.00 0.00 C ATOM 1660 CD GLN A 106 6.594 15.785 -2.907 1.00 0.00 C ATOM 1661 OE1 GLN A 106 7.772 16.051 -3.148 1.00 0.00 O ATOM 1662 NE2 GLN A 106 5.737 16.685 -2.441 1.00 0.00 N ATOM 0 H GLN A 106 5.172 11.449 -2.336 1.00 0.00 H new ATOM 0 HA GLN A 106 7.246 12.271 -4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 106 6.215 13.110 -1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 106 7.746 13.743 -1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.120 14.143 -4.194 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.992 14.367 -2.871 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.770 16.420 -2.256 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.046 17.642 -2.268 1.00 0.00 H new ATOM 1671 N ILE A 107 8.002 10.424 -1.556 1.00 0.00 N ATOM 1672 CA ILE A 107 9.074 9.668 -0.921 1.00 0.00 C ATOM 1673 C ILE A 107 9.527 8.509 -1.801 1.00 0.00 C ATOM 1674 O ILE A 107 10.700 8.135 -1.797 1.00 0.00 O ATOM 1675 CB ILE A 107 8.638 9.116 0.450 1.00 0.00 C ATOM 1676 CG1 ILE A 107 7.992 10.221 1.288 1.00 0.00 C ATOM 1677 CG2 ILE A 107 9.829 8.516 1.182 1.00 0.00 C ATOM 1678 CD1 ILE A 107 7.204 9.700 2.470 1.00 0.00 C ATOM 0 H ILE A 107 7.069 10.211 -1.203 1.00 0.00 H new ATOM 0 HA ILE A 107 9.905 10.359 -0.779 1.00 0.00 H new ATOM 0 HB ILE A 107 7.900 8.330 0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 107 8.770 10.894 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.331 10.809 0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.505 8.130 2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.249 7.703 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.588 9.284 1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.774 10.538 3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.404 9.050 2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.865 9.136 3.128 1.00 0.00 H new ATOM 1690 N ILE A 108 8.591 7.943 -2.556 1.00 0.00 N ATOM 1691 CA ILE A 108 8.898 6.827 -3.443 1.00 0.00 C ATOM 1692 C ILE A 108 9.479 7.321 -4.763 1.00 0.00 C ATOM 1693 O ILE A 108 10.296 6.642 -5.386 1.00 0.00 O ATOM 1694 CB ILE A 108 7.646 5.976 -3.731 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.946 5.599 -2.425 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.022 4.728 -4.515 1.00 0.00 C ATOM 1697 CD1 ILE A 108 5.686 4.786 -2.628 1.00 0.00 C ATOM 0 H ILE A 108 7.615 8.238 -2.571 1.00 0.00 H new ATOM 0 HA ILE A 108 9.636 6.209 -2.932 1.00 0.00 H new ATOM 0 HB ILE A 108 6.956 6.566 -4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 108 7.638 5.033 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.698 6.509 -1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.127 4.138 -4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.480 5.017 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.729 4.134 -3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.242 4.554 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.976 5.358 -3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 108 5.931 3.859 -3.146 1.00 0.00 H new ATOM 1709 N SER A 109 9.053 8.508 -5.184 1.00 0.00 N ATOM 1710 CA SER A 109 9.532 9.094 -6.431 1.00 0.00 C ATOM 1711 C SER A 109 10.936 9.663 -6.260 1.00 0.00 C ATOM 1712 O SER A 109 11.783 9.530 -7.144 1.00 0.00 O ATOM 1713 CB SER A 109 8.577 10.192 -6.901 1.00 0.00 C ATOM 1714 OG SER A 109 8.767 10.479 -8.276 1.00 0.00 O ATOM 0 H SER A 109 8.377 9.083 -4.680 1.00 0.00 H new ATOM 0 HA SER A 109 9.568 8.307 -7.184 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.547 9.880 -6.730 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.738 11.095 -6.312 1.00 0.00 H new ATOM 0 HG SER A 109 8.144 11.183 -8.552 1.00 0.00 H new ATOM 1720 N ARG A 110 11.177 10.299 -5.118 1.00 0.00 N ATOM 1721 CA ARG A 110 12.479 10.890 -4.831 1.00 0.00 C ATOM 1722 C ARG A 110 13.576 9.829 -4.858 1.00 0.00 C ATOM 1723 O ARG A 110 14.725 10.119 -5.191 1.00 0.00 O ATOM 1724 CB ARG A 110 12.457 11.588 -3.469 1.00 0.00 C ATOM 1725 CG ARG A 110 12.354 10.631 -2.291 1.00 0.00 C ATOM 1726 CD ARG A 110 13.667 10.535 -1.530 1.00 0.00 C ATOM 1727 NE ARG A 110 13.460 10.498 -0.084 1.00 0.00 N ATOM 1728 CZ ARG A 110 14.438 10.634 0.808 1.00 0.00 C ATOM 1729 NH1 ARG A 110 15.691 10.814 0.408 1.00 0.00 N ATOM 1730 NH2 ARG A 110 14.163 10.590 2.104 1.00 0.00 N ATOM 0 H ARG A 110 10.487 10.418 -4.376 1.00 0.00 H new ATOM 0 HA ARG A 110 12.695 11.628 -5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.363 12.185 -3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.615 12.279 -3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 110 11.566 10.967 -1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 110 12.067 9.642 -2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 110 14.203 9.639 -1.843 1.00 0.00 H new ATOM 0 HD3 ARG A 110 14.297 11.388 -1.784 1.00 0.00 H new ATOM 0 HE ARG A 110 12.510 10.360 0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 110 15.908 10.849 -0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 110 16.436 10.918 1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 110 13.202 10.452 2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 110 14.912 10.694 2.788 1.00 0.00 H new ATOM 1744 N TYR A 111 13.212 8.600 -4.506 1.00 0.00 N ATOM 1745 CA TYR A 111 14.165 7.495 -4.490 1.00 0.00 C ATOM 1746 C TYR A 111 14.214 6.783 -5.842 1.00 0.00 C ATOM 1747 O TYR A 111 15.107 5.974 -6.092 1.00 0.00 O ATOM 1748 CB TYR A 111 13.800 6.497 -3.390 1.00 0.00 C ATOM 1749 CG TYR A 111 14.418 6.821 -2.049 1.00 0.00 C ATOM 1750 CD1 TYR A 111 15.789 7.002 -1.921 1.00 0.00 C ATOM 1751 CD2 TYR A 111 13.630 6.945 -0.911 1.00 0.00 C ATOM 1752 CE1 TYR A 111 16.359 7.297 -0.697 1.00 0.00 C ATOM 1753 CE2 TYR A 111 14.192 7.241 0.316 1.00 0.00 C ATOM 1754 CZ TYR A 111 15.556 7.416 0.418 1.00 0.00 C ATOM 1755 OH TYR A 111 16.120 7.711 1.638 1.00 0.00 O ATOM 0 H TYR A 111 12.265 8.344 -4.228 1.00 0.00 H new ATOM 0 HA TYR A 111 15.153 7.910 -4.288 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.716 6.467 -3.283 1.00 0.00 H new ATOM 0 HB3 TYR A 111 14.118 5.500 -3.696 1.00 0.00 H new ATOM 0 HD1 TYR A 111 16.420 6.911 -2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.561 6.808 -0.987 1.00 0.00 H new ATOM 0 HE1 TYR A 111 17.427 7.434 -0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 111 13.566 7.335 1.191 1.00 0.00 H new ATOM 0 HH TYR A 111 15.550 8.349 2.116 1.00 0.00 H new ATOM 1765 N LYS A 112 13.253 7.088 -6.711 1.00 0.00 N ATOM 1766 CA LYS A 112 13.197 6.472 -8.032 1.00 0.00 C ATOM 1767 C LYS A 112 14.294 7.025 -8.937 1.00 0.00 C ATOM 1768 O LYS A 112 14.789 6.330 -9.824 1.00 0.00 O ATOM 1769 CB LYS A 112 11.827 6.706 -8.670 1.00 0.00 C ATOM 1770 CG LYS A 112 10.814 5.618 -8.352 1.00 0.00 C ATOM 1771 CD LYS A 112 10.043 5.192 -9.592 1.00 0.00 C ATOM 1772 CE LYS A 112 8.847 6.097 -9.842 1.00 0.00 C ATOM 1773 NZ LYS A 112 9.172 7.197 -10.791 1.00 0.00 N ATOM 0 H LYS A 112 12.505 7.756 -6.524 1.00 0.00 H new ATOM 0 HA LYS A 112 13.355 5.400 -7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.436 7.665 -8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.946 6.775 -9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.327 4.755 -7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.117 5.979 -7.595 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.704 5.213 -10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.704 4.163 -9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.022 5.506 -10.240 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.509 6.521 -8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.331 7.791 -10.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.942 7.776 -10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.470 6.793 -11.702 1.00 0.00 H new ATOM 1892 N TRP B 458 -11.876 -7.250 -3.745 1.00 0.00 N ATOM 1893 CA TRP B 458 -10.923 -6.525 -2.912 1.00 0.00 C ATOM 1894 C TRP B 458 -9.640 -6.232 -3.684 1.00 0.00 C ATOM 1895 O TRP B 458 -8.976 -5.224 -3.443 1.00 0.00 O ATOM 1896 CB TRP B 458 -10.605 -7.328 -1.648 1.00 0.00 C ATOM 1897 CG TRP B 458 -10.835 -6.559 -0.383 1.00 0.00 C ATOM 1898 CD1 TRP B 458 -10.037 -6.546 0.725 1.00 0.00 C ATOM 1899 CD2 TRP B 458 -11.937 -5.691 -0.095 1.00 0.00 C ATOM 1900 NE1 TRP B 458 -10.576 -5.723 1.684 1.00 0.00 N ATOM 1901 CE2 TRP B 458 -11.742 -5.187 1.205 1.00 0.00 C ATOM 1902 CE3 TRP B 458 -13.069 -5.291 -0.810 1.00 0.00 C ATOM 1903 CZ2 TRP B 458 -12.637 -4.303 1.803 1.00 0.00 C ATOM 1904 CZ3 TRP B 458 -13.957 -4.414 -0.215 1.00 0.00 C ATOM 1905 CH2 TRP B 458 -13.737 -3.929 1.080 1.00 0.00 C ATOM 0 HA TRP B 458 -11.375 -5.576 -2.624 1.00 0.00 H new ATOM 0 HB2 TRP B 458 -11.219 -8.229 -1.634 1.00 0.00 H new ATOM 0 HB3 TRP B 458 -9.565 -7.652 -1.684 1.00 0.00 H new ATOM 0 HD1 TRP B 458 -9.117 -7.101 0.832 1.00 0.00 H new ATOM 0 HE1 TRP B 458 -10.173 -5.541 2.603 1.00 0.00 H new ATOM 0 HE3 TRP B 458 -13.247 -5.660 -1.809 1.00 0.00 H new ATOM 0 HZ2 TRP B 458 -12.469 -3.926 2.801 1.00 0.00 H new ATOM 0 HZ3 TRP B 458 -14.835 -4.098 -0.758 1.00 0.00 H new ATOM 0 HH2 TRP B 458 -14.450 -3.246 1.517 1.00 0.00 H new ATOM 1916 N ASP B 459 -9.296 -7.120 -4.611 1.00 0.00 N ATOM 1917 CA ASP B 459 -8.093 -6.957 -5.417 1.00 0.00 C ATOM 1918 C ASP B 459 -8.336 -5.988 -6.570 1.00 0.00 C ATOM 1919 O ASP B 459 -7.451 -5.220 -6.946 1.00 0.00 O ATOM 1920 CB ASP B 459 -7.631 -8.310 -5.962 1.00 0.00 C ATOM 1921 CG ASP B 459 -7.046 -9.198 -4.882 1.00 0.00 C ATOM 1922 OD1 ASP B 459 -7.656 -9.293 -3.796 1.00 0.00 O ATOM 1923 OD2 ASP B 459 -5.979 -9.801 -5.122 1.00 0.00 O ATOM 0 H ASP B 459 -9.834 -7.960 -4.822 1.00 0.00 H new ATOM 0 HA ASP B 459 -7.312 -6.544 -4.778 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -8.475 -8.818 -6.429 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -6.885 -8.150 -6.740 1.00 0.00 H new ATOM 1928 N TYR B 460 -9.542 -6.030 -7.128 1.00 0.00 N ATOM 1929 CA TYR B 460 -9.901 -5.156 -8.239 1.00 0.00 C ATOM 1930 C TYR B 460 -10.049 -3.712 -7.771 1.00 0.00 C ATOM 1931 O TYR B 460 -9.607 -2.782 -8.446 1.00 0.00 O ATOM 1932 CB TYR B 460 -11.202 -5.634 -8.889 1.00 0.00 C ATOM 1933 CG TYR B 460 -11.002 -6.274 -10.245 1.00 0.00 C ATOM 1934 CD1 TYR B 460 -10.520 -7.573 -10.356 1.00 0.00 C ATOM 1935 CD2 TYR B 460 -11.295 -5.581 -11.412 1.00 0.00 C ATOM 1936 CE1 TYR B 460 -10.336 -8.161 -11.593 1.00 0.00 C ATOM 1937 CE2 TYR B 460 -11.115 -6.163 -12.652 1.00 0.00 C ATOM 1938 CZ TYR B 460 -10.635 -7.453 -12.737 1.00 0.00 C ATOM 1939 OH TYR B 460 -10.453 -8.035 -13.970 1.00 0.00 O ATOM 0 H TYR B 460 -10.287 -6.660 -6.829 1.00 0.00 H new ATOM 0 HA TYR B 460 -9.099 -5.196 -8.976 1.00 0.00 H new ATOM 0 HB2 TYR B 460 -11.687 -6.351 -8.226 1.00 0.00 H new ATOM 0 HB3 TYR B 460 -11.879 -4.786 -8.993 1.00 0.00 H new ATOM 0 HD1 TYR B 460 -10.286 -8.131 -9.462 1.00 0.00 H new ATOM 0 HD2 TYR B 460 -11.670 -4.570 -11.349 1.00 0.00 H new ATOM 0 HE1 TYR B 460 -9.960 -9.171 -11.663 1.00 0.00 H new ATOM 0 HE2 TYR B 460 -11.349 -5.611 -13.550 1.00 0.00 H new ATOM 0 HH TYR B 460 -10.712 -7.402 -14.672 1.00 0.00 H new ATOM 1949 N ILE B 461 -10.674 -3.531 -6.612 1.00 0.00 N ATOM 1950 CA ILE B 461 -10.881 -2.200 -6.054 1.00 0.00 C ATOM 1951 C ILE B 461 -9.553 -1.478 -5.842 1.00 0.00 C ATOM 1952 O ILE B 461 -9.489 -0.250 -5.891 1.00 0.00 O ATOM 1953 CB ILE B 461 -11.643 -2.266 -4.714 1.00 0.00 C ATOM 1954 CG1 ILE B 461 -11.929 -0.856 -4.190 1.00 0.00 C ATOM 1955 CG2 ILE B 461 -10.853 -3.068 -3.691 1.00 0.00 C ATOM 1956 CD1 ILE B 461 -12.680 -0.840 -2.877 1.00 0.00 C ATOM 0 H ILE B 461 -11.046 -4.290 -6.041 1.00 0.00 H new ATOM 0 HA ILE B 461 -11.479 -1.643 -6.775 1.00 0.00 H new ATOM 0 HB ILE B 461 -12.595 -2.769 -4.883 1.00 0.00 H new ATOM 0 HG12 ILE B 461 -10.985 -0.325 -4.066 1.00 0.00 H new ATOM 0 HG13 ILE B 461 -12.506 -0.310 -4.936 1.00 0.00 H new ATOM 0 HG21 ILE B 461 -11.405 -3.104 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE B 461 -10.701 -4.082 -4.062 1.00 0.00 H new ATOM 0 HG23 ILE B 461 -9.886 -2.594 -3.525 1.00 0.00 H new ATOM 0 HD11 ILE B 461 -12.848 0.191 -2.566 1.00 0.00 H new ATOM 0 HD12 ILE B 461 -13.639 -1.342 -3.000 1.00 0.00 H new ATOM 0 HD13 ILE B 461 -12.095 -1.357 -2.117 1.00 0.00 H new ATOM 1968 N PHE B 462 -8.496 -2.248 -5.604 1.00 0.00 N ATOM 1969 CA PHE B 462 -7.171 -1.680 -5.383 1.00 0.00 C ATOM 1970 C PHE B 462 -6.313 -1.791 -6.639 1.00 0.00 C ATOM 1971 O PHE B 462 -5.451 -0.948 -6.890 1.00 0.00 O ATOM 1972 CB PHE B 462 -6.482 -2.384 -4.214 1.00 0.00 C ATOM 1973 CG PHE B 462 -7.118 -2.099 -2.884 1.00 0.00 C ATOM 1974 CD1 PHE B 462 -7.335 -0.794 -2.472 1.00 0.00 C ATOM 1975 CD2 PHE B 462 -7.499 -3.134 -2.047 1.00 0.00 C ATOM 1976 CE1 PHE B 462 -7.920 -0.527 -1.249 1.00 0.00 C ATOM 1977 CE2 PHE B 462 -8.086 -2.874 -0.823 1.00 0.00 C ATOM 1978 CZ PHE B 462 -8.297 -1.568 -0.424 1.00 0.00 C ATOM 0 H PHE B 462 -8.531 -3.266 -5.559 1.00 0.00 H new ATOM 0 HA PHE B 462 -7.291 -0.624 -5.142 1.00 0.00 H new ATOM 0 HB2 PHE B 462 -6.494 -3.460 -4.390 1.00 0.00 H new ATOM 0 HB3 PHE B 462 -5.436 -2.078 -4.181 1.00 0.00 H new ATOM 0 HD1 PHE B 462 -7.044 0.024 -3.114 1.00 0.00 H new ATOM 0 HD2 PHE B 462 -7.336 -4.156 -2.354 1.00 0.00 H new ATOM 0 HE1 PHE B 462 -8.082 0.495 -0.939 1.00 0.00 H new ATOM 0 HE2 PHE B 462 -8.379 -3.690 -0.179 1.00 0.00 H new ATOM 0 HZ PHE B 462 -8.756 -1.362 0.532 1.00 0.00 H new ATOM 1988 N GLU B 463 -6.553 -2.835 -7.425 1.00 0.00 N ATOM 1989 CA GLU B 463 -5.800 -3.055 -8.655 1.00 0.00 C ATOM 1990 C GLU B 463 -6.215 -2.058 -9.732 1.00 0.00 C ATOM 1991 O GLU B 463 -5.434 -1.189 -10.121 1.00 0.00 O ATOM 1992 CB GLU B 463 -6.011 -4.484 -9.159 1.00 0.00 C ATOM 1993 CG GLU B 463 -5.219 -4.810 -10.414 1.00 0.00 C ATOM 1994 CD GLU B 463 -6.009 -5.646 -11.401 1.00 0.00 C ATOM 1995 OE1 GLU B 463 -6.982 -6.304 -10.976 1.00 0.00 O ATOM 1996 OE2 GLU B 463 -5.655 -5.644 -12.599 1.00 0.00 O ATOM 0 H GLU B 463 -7.263 -3.542 -7.233 1.00 0.00 H new ATOM 0 HA GLU B 463 -4.743 -2.907 -8.435 1.00 0.00 H new ATOM 0 HB2 GLU B 463 -5.731 -5.183 -8.371 1.00 0.00 H new ATOM 0 HB3 GLU B 463 -7.072 -4.637 -9.359 1.00 0.00 H new ATOM 0 HG2 GLU B 463 -4.910 -3.882 -10.895 1.00 0.00 H new ATOM 0 HG3 GLU B 463 -4.310 -5.344 -10.137 1.00 0.00 H new