USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 780 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 28 SER OG : rot -60:sc= -1.37! USER MOD Set 1.2: A 85 ASN : amide:sc= -5.98! K(o=-7.3!,f=1.4) USER MOD Single : A 5 GLN : amide:sc= -6.34! C(o=-6.3!,f=-9!) USER MOD Single : A 7 SER OG : rot -67:sc= 1.17 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -21:sc= 0.307 USER MOD Single : A 21 SER OG : rot 13:sc= 0.397 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 27:sc= 0.964 USER MOD Single : A 30 MET CE :methyl 141:sc= -0.116 (180deg=-1.08) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 46 THR OG1 : rot -130:sc= -0.202 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 146:sc= -1.13 (180deg=-5.18!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 130:sc= -0.395 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0785 K(o=-0.078,f=-2.1!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -3:sc= 0.183 USER MOD Single : A 86 SER OG : rot 121:sc= -0.242 USER MOD Single : A 87 GLN : amide:sc= -0.0699 X(o=-0.07,f=-0.07) USER MOD Single : A 94 MET CE :methyl 154:sc= -0.201 (180deg=-1.13) USER MOD Single : A 97 MET CE :methyl 161:sc= -0.535 (180deg=-1.43) USER MOD Single : A 100 TYR OH : rot 30:sc= -0.412 USER MOD Single : A 104 ASN : amide:sc= -4.44! C(o=-4.4!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 6.828 -0.683 6.295 1.00 0.00 N ATOM 21 CA ALA A 2 7.063 0.532 7.128 1.00 0.00 C ATOM 22 C ALA A 2 7.329 1.727 6.211 1.00 0.00 C ATOM 23 O ALA A 2 7.218 2.866 6.615 1.00 0.00 O ATOM 24 CB ALA A 2 8.274 0.295 8.035 1.00 0.00 C ATOM 0 HA ALA A 2 6.186 0.736 7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.450 1.180 8.646 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.082 -0.560 8.683 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.154 0.096 7.423 1.00 0.00 H new ATOM 30 N GLU A 3 7.679 1.477 4.972 1.00 0.00 N ATOM 31 CA GLU A 3 7.944 2.602 4.027 1.00 0.00 C ATOM 32 C GLU A 3 7.482 2.198 2.626 1.00 0.00 C ATOM 33 O GLU A 3 7.750 1.108 2.161 1.00 0.00 O ATOM 34 CB GLU A 3 9.439 2.917 4.003 1.00 0.00 C ATOM 35 CG GLU A 3 9.681 4.140 3.119 1.00 0.00 C ATOM 36 CD GLU A 3 11.168 4.498 3.125 1.00 0.00 C ATOM 37 OE1 GLU A 3 11.975 3.603 2.940 1.00 0.00 O ATOM 38 OE2 GLU A 3 11.475 5.664 3.310 1.00 0.00 O ATOM 0 H GLU A 3 7.792 0.543 4.577 1.00 0.00 H new ATOM 0 HA GLU A 3 7.399 3.488 4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 3 9.799 3.107 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.997 2.062 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.351 3.935 2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.093 4.984 3.481 1.00 0.00 H new ATOM 45 N ILE A 4 6.779 3.076 1.956 1.00 0.00 N ATOM 46 CA ILE A 4 6.272 2.771 0.581 1.00 0.00 C ATOM 47 C ILE A 4 7.003 3.642 -0.441 1.00 0.00 C ATOM 48 O ILE A 4 7.085 4.844 -0.296 1.00 0.00 O ATOM 49 CB ILE A 4 4.776 3.081 0.524 1.00 0.00 C ATOM 50 CG1 ILE A 4 4.037 2.187 1.522 1.00 0.00 C ATOM 51 CG2 ILE A 4 4.253 2.812 -0.889 1.00 0.00 C ATOM 52 CD1 ILE A 4 2.616 2.710 1.724 1.00 0.00 C ATOM 0 H ILE A 4 6.532 4.002 2.306 1.00 0.00 H new ATOM 0 HA ILE A 4 6.446 1.720 0.352 1.00 0.00 H new ATOM 0 HB ILE A 4 4.609 4.128 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.009 1.161 1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.568 2.171 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.186 3.033 -0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.783 3.446 -1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.417 1.765 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.091 2.072 2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.655 3.729 2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.087 2.703 0.771 1.00 0.00 H new ATOM 64 N GLN A 5 7.527 3.043 -1.479 1.00 0.00 N ATOM 65 CA GLN A 5 8.247 3.829 -2.526 1.00 0.00 C ATOM 66 C GLN A 5 7.902 3.270 -3.902 1.00 0.00 C ATOM 67 O GLN A 5 8.070 2.096 -4.170 1.00 0.00 O ATOM 68 CB GLN A 5 9.755 3.741 -2.297 1.00 0.00 C ATOM 69 CG GLN A 5 10.124 4.538 -1.047 1.00 0.00 C ATOM 70 CD GLN A 5 11.629 4.441 -0.799 1.00 0.00 C ATOM 71 OE1 GLN A 5 12.419 4.619 -1.706 1.00 0.00 O ATOM 72 NE2 GLN A 5 12.061 4.165 0.400 1.00 0.00 N ATOM 0 H GLN A 5 7.487 2.038 -1.647 1.00 0.00 H new ATOM 0 HA GLN A 5 7.940 4.873 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 5 10.056 2.700 -2.181 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.289 4.133 -3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.833 5.581 -1.170 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.578 4.154 -0.185 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.397 4.016 1.160 1.00 0.00 H new ATOM 0 HE22 GLN A 5 13.063 4.098 0.578 1.00 0.00 H new ATOM 81 N PHE A 6 7.421 4.105 -4.779 1.00 0.00 N ATOM 82 CA PHE A 6 7.061 3.639 -6.145 1.00 0.00 C ATOM 83 C PHE A 6 8.307 3.669 -7.029 1.00 0.00 C ATOM 84 O PHE A 6 8.275 3.278 -8.179 1.00 0.00 O ATOM 85 CB PHE A 6 5.990 4.562 -6.723 1.00 0.00 C ATOM 86 CG PHE A 6 4.719 4.414 -5.918 1.00 0.00 C ATOM 87 CD1 PHE A 6 3.871 3.326 -6.148 1.00 0.00 C ATOM 88 CD2 PHE A 6 4.390 5.365 -4.943 1.00 0.00 C ATOM 89 CE1 PHE A 6 2.694 3.184 -5.401 1.00 0.00 C ATOM 90 CE2 PHE A 6 3.214 5.223 -4.196 1.00 0.00 C ATOM 91 CZ PHE A 6 2.365 4.134 -4.426 1.00 0.00 C ATOM 0 H PHE A 6 7.261 5.097 -4.606 1.00 0.00 H new ATOM 0 HA PHE A 6 6.674 2.621 -6.103 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.332 5.597 -6.698 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.804 4.313 -7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.123 2.595 -6.902 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.043 6.207 -4.768 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.041 2.342 -5.577 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.962 5.954 -3.442 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.457 4.026 -3.852 1.00 0.00 H new ATOM 101 N SER A 7 9.407 4.128 -6.496 1.00 0.00 N ATOM 102 CA SER A 7 10.664 4.180 -7.295 1.00 0.00 C ATOM 103 C SER A 7 11.866 4.163 -6.353 1.00 0.00 C ATOM 104 O SER A 7 12.817 4.894 -6.544 1.00 0.00 O ATOM 105 CB SER A 7 10.690 5.460 -8.131 1.00 0.00 C ATOM 106 OG SER A 7 11.945 5.561 -8.793 1.00 0.00 O ATOM 0 H SER A 7 9.489 4.470 -5.539 1.00 0.00 H new ATOM 0 HA SER A 7 10.707 3.315 -7.957 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.880 5.448 -8.861 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.531 6.329 -7.492 1.00 0.00 H new ATOM 0 HG SER A 7 12.654 5.697 -8.131 1.00 0.00 H new ATOM 112 N LYS A 8 11.826 3.317 -5.342 1.00 0.00 N ATOM 113 CA LYS A 8 12.958 3.209 -4.360 1.00 0.00 C ATOM 114 C LYS A 8 13.654 4.562 -4.179 1.00 0.00 C ATOM 115 O LYS A 8 14.864 4.653 -4.154 1.00 0.00 O ATOM 116 CB LYS A 8 13.969 2.164 -4.844 1.00 0.00 C ATOM 117 CG LYS A 8 14.292 2.388 -6.324 1.00 0.00 C ATOM 118 CD LYS A 8 15.392 1.423 -6.761 1.00 0.00 C ATOM 119 CE LYS A 8 15.709 1.654 -8.238 1.00 0.00 C ATOM 120 NZ LYS A 8 16.796 0.729 -8.664 1.00 0.00 N ATOM 0 H LYS A 8 11.044 2.689 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 8 12.550 2.900 -3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.881 2.228 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.565 1.162 -4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.398 2.234 -6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.613 3.417 -6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.286 1.576 -6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.072 0.393 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.817 1.487 -8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.014 2.688 -8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.012 0.886 -9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.648 0.909 -8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.489 -0.255 -8.526 1.00 0.00 H new ATOM 134 N GLY A 9 12.888 5.613 -4.059 1.00 0.00 N ATOM 135 CA GLY A 9 13.487 6.966 -3.886 1.00 0.00 C ATOM 136 C GLY A 9 12.375 8.014 -3.937 1.00 0.00 C ATOM 137 O GLY A 9 12.599 9.152 -4.303 1.00 0.00 O ATOM 0 H GLY A 9 11.868 5.591 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.016 7.025 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.220 7.156 -4.670 1.00 0.00 H new ATOM 141 N VAL A 10 11.172 7.638 -3.580 1.00 0.00 N ATOM 142 CA VAL A 10 10.029 8.605 -3.612 1.00 0.00 C ATOM 143 C VAL A 10 9.789 9.181 -2.216 1.00 0.00 C ATOM 144 O VAL A 10 9.733 8.468 -1.235 1.00 0.00 O ATOM 145 CB VAL A 10 8.769 7.887 -4.095 1.00 0.00 C ATOM 146 CG1 VAL A 10 7.646 8.909 -4.286 1.00 0.00 C ATOM 147 CG2 VAL A 10 9.064 7.202 -5.431 1.00 0.00 C ATOM 0 H VAL A 10 10.930 6.698 -3.266 1.00 0.00 H new ATOM 0 HA VAL A 10 10.270 9.420 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 10 8.463 7.143 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.746 8.400 -4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.441 9.406 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.950 9.649 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.169 6.688 -5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.364 7.950 -6.165 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.870 6.480 -5.299 1.00 0.00 H new ATOM 157 N ALA A 11 9.655 10.478 -2.127 1.00 0.00 N ATOM 158 CA ALA A 11 9.428 11.128 -0.806 1.00 0.00 C ATOM 159 C ALA A 11 8.086 10.676 -0.218 1.00 0.00 C ATOM 160 O ALA A 11 7.113 10.501 -0.923 1.00 0.00 O ATOM 161 CB ALA A 11 9.417 12.645 -0.993 1.00 0.00 C ATOM 0 H ALA A 11 9.694 11.118 -2.920 1.00 0.00 H new ATOM 0 HA ALA A 11 10.227 10.842 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.251 13.129 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.374 12.968 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.617 12.921 -1.680 1.00 0.00 H new ATOM 167 N GLU A 12 8.039 10.484 1.074 1.00 0.00 N ATOM 168 CA GLU A 12 6.776 10.036 1.730 1.00 0.00 C ATOM 169 C GLU A 12 5.885 11.242 2.053 1.00 0.00 C ATOM 170 O GLU A 12 5.411 11.927 1.172 1.00 0.00 O ATOM 171 CB GLU A 12 7.111 9.305 3.032 1.00 0.00 C ATOM 172 CG GLU A 12 7.882 8.012 2.733 1.00 0.00 C ATOM 173 CD GLU A 12 9.364 8.325 2.507 1.00 0.00 C ATOM 174 OE1 GLU A 12 9.710 9.496 2.505 1.00 0.00 O ATOM 175 OE2 GLU A 12 10.130 7.387 2.362 1.00 0.00 O ATOM 0 H GLU A 12 8.827 10.619 1.707 1.00 0.00 H new ATOM 0 HA GLU A 12 6.246 9.370 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.707 9.951 3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.194 9.073 3.573 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.772 7.313 3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.466 7.527 1.850 1.00 0.00 H new ATOM 182 N THR A 13 5.644 11.481 3.321 1.00 0.00 N ATOM 183 CA THR A 13 4.772 12.617 3.735 1.00 0.00 C ATOM 184 C THR A 13 3.397 12.461 3.078 1.00 0.00 C ATOM 185 O THR A 13 2.506 13.264 3.271 1.00 0.00 O ATOM 186 CB THR A 13 5.411 13.947 3.315 1.00 0.00 C ATOM 187 OG1 THR A 13 5.259 14.134 1.916 1.00 0.00 O ATOM 188 CG2 THR A 13 6.899 13.931 3.669 1.00 0.00 C ATOM 0 H THR A 13 6.020 10.929 4.092 1.00 0.00 H new ATOM 0 HA THR A 13 4.657 12.614 4.819 1.00 0.00 H new ATOM 0 HB THR A 13 4.919 14.764 3.842 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.097 13.268 1.486 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.354 14.876 3.371 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.016 13.795 4.744 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.389 13.111 3.144 1.00 0.00 H new ATOM 196 N VAL A 14 3.222 11.419 2.308 1.00 0.00 N ATOM 197 CA VAL A 14 1.916 11.176 1.634 1.00 0.00 C ATOM 198 C VAL A 14 0.845 10.832 2.673 1.00 0.00 C ATOM 199 O VAL A 14 -0.270 11.308 2.606 1.00 0.00 O ATOM 200 CB VAL A 14 2.079 10.011 0.654 1.00 0.00 C ATOM 201 CG1 VAL A 14 0.715 9.625 0.077 1.00 0.00 C ATOM 202 CG2 VAL A 14 3.017 10.427 -0.481 1.00 0.00 C ATOM 0 H VAL A 14 3.938 10.719 2.116 1.00 0.00 H new ATOM 0 HA VAL A 14 1.606 12.073 1.098 1.00 0.00 H new ATOM 0 HB VAL A 14 2.501 9.154 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.836 8.796 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.049 9.325 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.287 10.479 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.133 9.598 -1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.596 11.286 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.990 10.694 -0.069 1.00 0.00 H new ATOM 212 N VAL A 15 1.181 9.997 3.623 1.00 0.00 N ATOM 213 CA VAL A 15 0.199 9.592 4.677 1.00 0.00 C ATOM 214 C VAL A 15 -0.988 8.865 4.032 1.00 0.00 C ATOM 215 O VAL A 15 -2.120 9.295 4.139 1.00 0.00 O ATOM 216 CB VAL A 15 -0.304 10.831 5.430 1.00 0.00 C ATOM 217 CG1 VAL A 15 -1.049 10.392 6.691 1.00 0.00 C ATOM 218 CG2 VAL A 15 0.888 11.706 5.828 1.00 0.00 C ATOM 0 H VAL A 15 2.104 9.573 3.715 1.00 0.00 H new ATOM 0 HA VAL A 15 0.693 8.922 5.380 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.975 11.398 4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.407 11.271 7.227 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.897 9.766 6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.375 9.825 7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.531 12.586 6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.558 11.137 6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.425 12.019 4.932 1.00 0.00 H new ATOM 228 N PRO A 16 -0.732 7.762 3.370 1.00 0.00 N ATOM 229 CA PRO A 16 -1.798 6.958 2.700 1.00 0.00 C ATOM 230 C PRO A 16 -2.735 6.281 3.708 1.00 0.00 C ATOM 231 O PRO A 16 -2.343 5.933 4.805 1.00 0.00 O ATOM 232 CB PRO A 16 -1.023 5.924 1.859 1.00 0.00 C ATOM 233 CG PRO A 16 0.340 5.830 2.482 1.00 0.00 C ATOM 234 CD PRO A 16 0.606 7.168 3.189 1.00 0.00 C ATOM 0 HA PRO A 16 -2.455 7.581 2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.525 4.957 1.869 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.956 6.238 0.817 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.383 5.004 3.192 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.098 5.638 1.723 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.107 7.019 4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.249 7.813 2.590 1.00 0.00 H new ATOM 242 N GLU A 17 -3.976 6.098 3.339 1.00 0.00 N ATOM 243 CA GLU A 17 -4.953 5.455 4.266 1.00 0.00 C ATOM 244 C GLU A 17 -4.841 3.935 4.174 1.00 0.00 C ATOM 245 O GLU A 17 -4.425 3.392 3.168 1.00 0.00 O ATOM 246 CB GLU A 17 -6.366 5.894 3.887 1.00 0.00 C ATOM 247 CG GLU A 17 -6.539 7.374 4.229 1.00 0.00 C ATOM 248 CD GLU A 17 -7.922 7.846 3.784 1.00 0.00 C ATOM 249 OE1 GLU A 17 -8.671 7.030 3.276 1.00 0.00 O ATOM 250 OE2 GLU A 17 -8.210 9.019 3.961 1.00 0.00 O ATOM 0 H GLU A 17 -4.356 6.368 2.432 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.736 5.760 5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.537 5.731 2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.102 5.296 4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.420 7.526 5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.766 7.964 3.736 1.00 0.00 H new ATOM 257 N VAL A 18 -5.208 3.247 5.228 1.00 0.00 N ATOM 258 CA VAL A 18 -5.126 1.754 5.236 1.00 0.00 C ATOM 259 C VAL A 18 -6.534 1.172 5.310 1.00 0.00 C ATOM 260 O VAL A 18 -7.348 1.587 6.112 1.00 0.00 O ATOM 261 CB VAL A 18 -4.331 1.297 6.463 1.00 0.00 C ATOM 262 CG1 VAL A 18 -4.430 -0.228 6.608 1.00 0.00 C ATOM 263 CG2 VAL A 18 -2.867 1.705 6.294 1.00 0.00 C ATOM 0 H VAL A 18 -5.564 3.660 6.090 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.632 1.411 4.327 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.740 1.766 7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.863 -0.548 7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.475 -0.515 6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.023 -0.705 5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.296 1.382 7.165 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.459 1.236 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.800 2.789 6.198 1.00 0.00 H new ATOM 273 N ARG A 19 -6.821 0.208 4.477 1.00 0.00 N ATOM 274 CA ARG A 19 -8.170 -0.430 4.475 1.00 0.00 C ATOM 275 C ARG A 19 -7.998 -1.942 4.584 1.00 0.00 C ATOM 276 O ARG A 19 -7.097 -2.517 4.006 1.00 0.00 O ATOM 277 CB ARG A 19 -8.892 -0.081 3.171 1.00 0.00 C ATOM 278 CG ARG A 19 -9.064 1.442 3.052 1.00 0.00 C ATOM 279 CD ARG A 19 -10.245 1.915 3.910 1.00 0.00 C ATOM 280 NE ARG A 19 -11.477 1.198 3.482 1.00 0.00 N ATOM 281 CZ ARG A 19 -12.600 1.376 4.124 1.00 0.00 C ATOM 282 NH1 ARG A 19 -12.650 2.183 5.152 1.00 0.00 N ATOM 283 NH2 ARG A 19 -13.675 0.743 3.740 1.00 0.00 N ATOM 0 H ARG A 19 -6.170 -0.170 3.789 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.759 -0.067 5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.324 -0.458 2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.867 -0.568 3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.150 1.944 3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.231 1.715 2.010 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.045 1.722 4.964 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.380 2.991 3.803 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.444 0.564 2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.810 2.676 5.455 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.529 2.319 5.651 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.636 0.111 2.940 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.554 0.880 4.240 1.00 0.00 H new ATOM 297 N LEU A 20 -8.850 -2.587 5.339 1.00 0.00 N ATOM 298 CA LEU A 20 -8.750 -4.067 5.520 1.00 0.00 C ATOM 299 C LEU A 20 -9.943 -4.748 4.855 1.00 0.00 C ATOM 300 O LEU A 20 -11.050 -4.250 4.874 1.00 0.00 O ATOM 301 CB LEU A 20 -8.755 -4.384 7.017 1.00 0.00 C ATOM 302 CG LEU A 20 -7.584 -3.669 7.702 1.00 0.00 C ATOM 303 CD1 LEU A 20 -7.633 -3.954 9.205 1.00 0.00 C ATOM 304 CD2 LEU A 20 -6.247 -4.165 7.124 1.00 0.00 C ATOM 0 H LEU A 20 -9.619 -2.146 5.843 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.829 -4.431 5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.698 -4.067 7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.676 -5.460 7.171 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.665 -2.596 7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.803 -3.448 9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.575 -3.589 9.614 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.556 -5.028 9.374 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.423 -3.650 7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.155 -5.238 7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.214 -3.958 6.054 1.00 0.00 H new ATOM 316 N SER A 21 -9.721 -5.890 4.263 1.00 0.00 N ATOM 317 CA SER A 21 -10.833 -6.617 3.589 1.00 0.00 C ATOM 318 C SER A 21 -10.559 -8.119 3.655 1.00 0.00 C ATOM 319 O SER A 21 -9.425 -8.550 3.705 1.00 0.00 O ATOM 320 CB SER A 21 -10.925 -6.174 2.128 1.00 0.00 C ATOM 321 OG SER A 21 -11.584 -4.916 2.059 1.00 0.00 O ATOM 0 H SER A 21 -8.813 -6.352 4.217 1.00 0.00 H new ATOM 0 HA SER A 21 -11.775 -6.394 4.089 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.927 -6.099 1.695 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.471 -6.916 1.545 1.00 0.00 H new ATOM 0 HG SER A 21 -11.637 -4.525 2.956 1.00 0.00 H new ATOM 327 N LYS A 22 -11.597 -8.915 3.651 1.00 0.00 N ATOM 328 CA LYS A 22 -11.428 -10.400 3.709 1.00 0.00 C ATOM 329 C LYS A 22 -11.904 -11.011 2.393 1.00 0.00 C ATOM 330 O LYS A 22 -12.950 -10.675 1.875 1.00 0.00 O ATOM 331 CB LYS A 22 -12.246 -10.958 4.873 1.00 0.00 C ATOM 332 CG LYS A 22 -12.031 -12.470 4.967 1.00 0.00 C ATOM 333 CD LYS A 22 -12.774 -13.016 6.186 1.00 0.00 C ATOM 334 CE LYS A 22 -12.545 -14.523 6.291 1.00 0.00 C ATOM 335 NZ LYS A 22 -13.243 -15.048 7.498 1.00 0.00 N ATOM 0 H LYS A 22 -12.565 -8.597 3.610 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.378 -10.649 3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.947 -10.478 5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.304 -10.738 4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.391 -12.956 4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.967 -12.692 5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.423 -12.520 7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.840 -12.805 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.918 -15.022 5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.478 -14.736 6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.088 -16.074 7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.867 -14.580 8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.262 -14.857 7.420 1.00 0.00 H new ATOM 349 N SER A 23 -11.126 -11.901 1.845 1.00 0.00 N ATOM 350 CA SER A 23 -11.492 -12.542 0.551 1.00 0.00 C ATOM 351 C SER A 23 -12.972 -12.939 0.542 1.00 0.00 C ATOM 352 O SER A 23 -13.385 -13.872 1.202 1.00 0.00 O ATOM 353 CB SER A 23 -10.622 -13.782 0.357 1.00 0.00 C ATOM 354 OG SER A 23 -10.896 -14.713 1.396 1.00 0.00 O ATOM 0 H SER A 23 -10.241 -12.216 2.243 1.00 0.00 H new ATOM 0 HA SER A 23 -11.326 -11.834 -0.261 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.823 -14.234 -0.614 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.567 -13.506 0.368 1.00 0.00 H new ATOM 0 HG SER A 23 -11.811 -14.580 1.721 1.00 0.00 H new ATOM 420 N SER A 28 -7.931 -16.351 1.695 1.00 0.00 N ATOM 421 CA SER A 28 -7.040 -16.012 2.848 1.00 0.00 C ATOM 422 C SER A 28 -7.188 -14.539 3.230 1.00 0.00 C ATOM 423 O SER A 28 -8.041 -13.833 2.729 1.00 0.00 O ATOM 424 CB SER A 28 -5.580 -16.302 2.489 1.00 0.00 C ATOM 425 OG SER A 28 -4.991 -15.136 1.924 1.00 0.00 O ATOM 0 HA SER A 28 -7.334 -16.628 3.698 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.029 -16.606 3.379 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.525 -17.130 1.782 1.00 0.00 H new ATOM 0 HG SER A 28 -5.481 -14.881 1.115 1.00 0.00 H new ATOM 431 N GLY A 29 -6.355 -14.079 4.126 1.00 0.00 N ATOM 432 CA GLY A 29 -6.424 -12.660 4.576 1.00 0.00 C ATOM 433 C GLY A 29 -6.082 -11.720 3.420 1.00 0.00 C ATOM 434 O GLY A 29 -5.262 -12.028 2.579 1.00 0.00 O ATOM 0 H GLY A 29 -5.622 -14.633 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.423 -12.438 4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.731 -12.499 5.402 1.00 0.00 H new ATOM 438 N MET A 30 -6.707 -10.571 3.375 1.00 0.00 N ATOM 439 CA MET A 30 -6.427 -9.597 2.277 1.00 0.00 C ATOM 440 C MET A 30 -6.430 -8.172 2.835 1.00 0.00 C ATOM 441 O MET A 30 -7.116 -7.863 3.791 1.00 0.00 O ATOM 442 CB MET A 30 -7.504 -9.727 1.199 1.00 0.00 C ATOM 443 CG MET A 30 -7.225 -8.726 0.080 1.00 0.00 C ATOM 444 SD MET A 30 -8.335 -9.052 -1.314 1.00 0.00 S ATOM 445 CE MET A 30 -9.891 -8.630 -0.491 1.00 0.00 C ATOM 0 H MET A 30 -7.403 -10.264 4.055 1.00 0.00 H new ATOM 0 HA MET A 30 -5.449 -9.810 1.845 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.514 -10.741 0.800 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.489 -9.543 1.629 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.370 -7.709 0.443 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.187 -8.805 -0.242 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.540 -8.102 -1.189 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.384 -9.542 -0.156 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.687 -7.991 0.368 1.00 0.00 H new ATOM 455 N ALA A 31 -5.659 -7.300 2.238 1.00 0.00 N ATOM 456 CA ALA A 31 -5.599 -5.888 2.717 1.00 0.00 C ATOM 457 C ALA A 31 -5.474 -4.959 1.512 1.00 0.00 C ATOM 458 O ALA A 31 -4.879 -5.306 0.510 1.00 0.00 O ATOM 459 CB ALA A 31 -4.381 -5.711 3.626 1.00 0.00 C ATOM 0 H ALA A 31 -5.065 -7.507 1.435 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.504 -5.648 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.336 -4.680 3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.465 -6.382 4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.474 -5.945 3.069 1.00 0.00 H new ATOM 465 N LYS A 32 -6.036 -3.780 1.601 1.00 0.00 N ATOM 466 CA LYS A 32 -5.970 -2.810 0.464 1.00 0.00 C ATOM 467 C LYS A 32 -5.397 -1.481 0.946 1.00 0.00 C ATOM 468 O LYS A 32 -5.697 -1.018 2.028 1.00 0.00 O ATOM 469 CB LYS A 32 -7.375 -2.584 -0.089 1.00 0.00 C ATOM 470 CG LYS A 32 -7.859 -3.862 -0.774 1.00 0.00 C ATOM 471 CD LYS A 32 -9.263 -3.640 -1.339 1.00 0.00 C ATOM 472 CE LYS A 32 -9.742 -4.920 -2.022 1.00 0.00 C ATOM 473 NZ LYS A 32 -11.111 -4.707 -2.568 1.00 0.00 N ATOM 0 H LYS A 32 -6.543 -3.444 2.420 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.326 -3.216 -0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.056 -2.309 0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.370 -1.757 -0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.173 -4.140 -1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.869 -4.687 -0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.949 -3.363 -0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.254 -2.815 -2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.057 -5.195 -2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.747 -5.745 -1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.438 -5.578 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.760 -4.464 -1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.092 -3.931 -3.260 1.00 0.00 H new ATOM 487 N PHE A 33 -4.574 -0.864 0.137 1.00 0.00 N ATOM 488 CA PHE A 33 -3.967 0.449 0.510 1.00 0.00 C ATOM 489 C PHE A 33 -4.545 1.531 -0.396 1.00 0.00 C ATOM 490 O PHE A 33 -4.409 1.484 -1.603 1.00 0.00 O ATOM 491 CB PHE A 33 -2.446 0.370 0.329 1.00 0.00 C ATOM 492 CG PHE A 33 -1.852 -0.407 1.480 1.00 0.00 C ATOM 493 CD1 PHE A 33 -1.470 0.264 2.647 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.692 -1.794 1.385 1.00 0.00 C ATOM 495 CE1 PHE A 33 -0.928 -0.451 3.721 1.00 0.00 C ATOM 496 CE2 PHE A 33 -1.151 -2.511 2.460 1.00 0.00 C ATOM 497 CZ PHE A 33 -0.768 -1.838 3.628 1.00 0.00 C ATOM 0 H PHE A 33 -4.294 -1.219 -0.777 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.190 0.688 1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.204 -0.115 -0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.019 1.372 0.291 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.594 1.334 2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.985 -2.311 0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.633 0.068 4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.029 -3.582 2.389 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.349 -2.390 4.457 1.00 0.00 H new ATOM 507 N TYR A 34 -5.202 2.503 0.178 1.00 0.00 N ATOM 508 CA TYR A 34 -5.807 3.592 -0.644 1.00 0.00 C ATOM 509 C TYR A 34 -4.848 4.779 -0.686 1.00 0.00 C ATOM 510 O TYR A 34 -4.435 5.293 0.338 1.00 0.00 O ATOM 511 CB TYR A 34 -7.132 4.013 -0.008 1.00 0.00 C ATOM 512 CG TYR A 34 -7.769 5.100 -0.840 1.00 0.00 C ATOM 513 CD1 TYR A 34 -8.363 4.778 -2.066 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.770 6.425 -0.388 1.00 0.00 C ATOM 515 CE1 TYR A 34 -8.957 5.781 -2.840 1.00 0.00 C ATOM 516 CE2 TYR A 34 -8.364 7.428 -1.162 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.956 7.106 -2.387 1.00 0.00 C ATOM 518 OH TYR A 34 -9.540 8.095 -3.153 1.00 0.00 O ATOM 0 H TYR A 34 -5.346 2.590 1.184 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.988 3.242 -1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.802 3.156 0.063 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.962 4.370 1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.363 3.756 -2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.312 6.673 0.558 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.416 5.533 -3.786 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.365 8.450 -0.813 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.454 8.957 -2.695 1.00 0.00 H new ATOM 528 N PHE A 35 -4.484 5.211 -1.866 1.00 0.00 N ATOM 529 CA PHE A 35 -3.537 6.360 -2.005 1.00 0.00 C ATOM 530 C PHE A 35 -4.280 7.576 -2.547 1.00 0.00 C ATOM 531 O PHE A 35 -4.899 7.518 -3.591 1.00 0.00 O ATOM 532 CB PHE A 35 -2.436 5.981 -2.989 1.00 0.00 C ATOM 533 CG PHE A 35 -1.593 4.882 -2.402 1.00 0.00 C ATOM 534 CD1 PHE A 35 -0.493 5.198 -1.598 1.00 0.00 C ATOM 535 CD2 PHE A 35 -1.913 3.545 -2.660 1.00 0.00 C ATOM 536 CE1 PHE A 35 0.289 4.175 -1.052 1.00 0.00 C ATOM 537 CE2 PHE A 35 -1.130 2.521 -2.115 1.00 0.00 C ATOM 538 CZ PHE A 35 -0.029 2.836 -1.310 1.00 0.00 C ATOM 0 H PHE A 35 -4.805 4.813 -2.749 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.109 6.595 -1.030 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.874 5.653 -3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.816 6.850 -3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.248 6.231 -1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.764 3.303 -3.279 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.139 4.418 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.375 1.488 -2.315 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.575 2.046 -0.888 1.00 0.00 H new ATOM 548 N LEU A 36 -4.212 8.683 -1.848 1.00 0.00 N ATOM 549 CA LEU A 36 -4.901 9.925 -2.316 1.00 0.00 C ATOM 550 C LEU A 36 -3.855 10.928 -2.810 1.00 0.00 C ATOM 551 O LEU A 36 -2.971 11.329 -2.081 1.00 0.00 O ATOM 552 CB LEU A 36 -5.696 10.530 -1.152 1.00 0.00 C ATOM 553 CG LEU A 36 -6.350 11.853 -1.584 1.00 0.00 C ATOM 554 CD1 LEU A 36 -7.233 11.634 -2.824 1.00 0.00 C ATOM 555 CD2 LEU A 36 -7.208 12.385 -0.430 1.00 0.00 C ATOM 0 H LEU A 36 -3.705 8.779 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.583 9.686 -3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.462 9.828 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.035 10.703 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.571 12.574 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.689 12.580 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.622 11.256 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.015 10.911 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.676 13.323 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.980 11.656 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.578 12.554 0.444 1.00 0.00 H new ATOM 567 N GLU A 37 -3.960 11.334 -4.049 1.00 0.00 N ATOM 568 CA GLU A 37 -2.988 12.316 -4.619 1.00 0.00 C ATOM 569 C GLU A 37 -1.557 11.964 -4.184 1.00 0.00 C ATOM 570 O GLU A 37 -0.858 12.781 -3.617 1.00 0.00 O ATOM 571 CB GLU A 37 -3.350 13.723 -4.131 1.00 0.00 C ATOM 572 CG GLU A 37 -4.619 14.196 -4.847 1.00 0.00 C ATOM 573 CD GLU A 37 -5.022 15.579 -4.334 1.00 0.00 C ATOM 574 OE1 GLU A 37 -4.503 16.555 -4.850 1.00 0.00 O ATOM 575 OE2 GLU A 37 -5.844 15.640 -3.434 1.00 0.00 O ATOM 0 H GLU A 37 -4.685 11.024 -4.697 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.038 12.281 -5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.508 13.717 -3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.529 14.412 -4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.447 14.234 -5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.428 13.486 -4.678 1.00 0.00 H new ATOM 582 N PRO A 38 -1.127 10.756 -4.454 1.00 0.00 N ATOM 583 CA PRO A 38 0.247 10.281 -4.092 1.00 0.00 C ATOM 584 C PRO A 38 1.351 11.008 -4.872 1.00 0.00 C ATOM 585 O PRO A 38 1.155 11.452 -5.986 1.00 0.00 O ATOM 586 CB PRO A 38 0.224 8.778 -4.436 1.00 0.00 C ATOM 587 CG PRO A 38 -0.875 8.618 -5.443 1.00 0.00 C ATOM 588 CD PRO A 38 -1.908 9.708 -5.136 1.00 0.00 C ATOM 0 HA PRO A 38 0.476 10.479 -3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.181 8.453 -4.844 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.035 8.174 -3.548 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.490 8.723 -6.457 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.324 7.627 -5.373 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.373 10.085 -6.047 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.710 9.331 -4.501 1.00 0.00 H new ATOM 596 N THR A 39 2.517 11.126 -4.288 1.00 0.00 N ATOM 597 CA THR A 39 3.640 11.817 -4.982 1.00 0.00 C ATOM 598 C THR A 39 4.356 10.832 -5.908 1.00 0.00 C ATOM 599 O THR A 39 5.291 10.163 -5.517 1.00 0.00 O ATOM 600 CB THR A 39 4.627 12.345 -3.937 1.00 0.00 C ATOM 601 OG1 THR A 39 3.923 13.124 -2.979 1.00 0.00 O ATOM 602 CG2 THR A 39 5.687 13.212 -4.619 1.00 0.00 C ATOM 0 H THR A 39 2.738 10.771 -3.357 1.00 0.00 H new ATOM 0 HA THR A 39 3.250 12.646 -5.572 1.00 0.00 H new ATOM 0 HB THR A 39 5.114 11.505 -3.442 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.551 13.462 -2.307 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.387 13.586 -3.872 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.226 12.616 -5.355 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.204 14.053 -5.116 1.00 0.00 H new ATOM 610 N ILE A 40 3.927 10.758 -7.137 1.00 0.00 N ATOM 611 CA ILE A 40 4.569 9.836 -8.117 1.00 0.00 C ATOM 612 C ILE A 40 3.966 10.084 -9.503 1.00 0.00 C ATOM 613 O ILE A 40 4.602 9.871 -10.516 1.00 0.00 O ATOM 614 CB ILE A 40 4.344 8.375 -7.698 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.178 7.447 -8.594 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.863 8.004 -7.829 1.00 0.00 C ATOM 617 CD1 ILE A 40 6.682 7.678 -8.367 1.00 0.00 C ATOM 0 H ILE A 40 3.150 11.303 -7.509 1.00 0.00 H new ATOM 0 HA ILE A 40 5.642 10.025 -8.145 1.00 0.00 H new ATOM 0 HB ILE A 40 4.650 8.259 -6.658 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.929 6.407 -8.381 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.932 7.626 -9.641 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.720 6.966 -7.529 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.267 8.653 -7.187 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.547 8.129 -8.865 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.254 7.011 -9.012 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.931 8.712 -8.604 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.928 7.475 -7.325 1.00 0.00 H new ATOM 629 N LEU A 41 2.742 10.540 -9.552 1.00 0.00 N ATOM 630 CA LEU A 41 2.089 10.814 -10.862 1.00 0.00 C ATOM 631 C LEU A 41 2.852 11.926 -11.582 1.00 0.00 C ATOM 632 O LEU A 41 3.061 11.880 -12.778 1.00 0.00 O ATOM 633 CB LEU A 41 0.644 11.260 -10.622 1.00 0.00 C ATOM 634 CG LEU A 41 -0.178 10.088 -10.065 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.553 10.602 -9.629 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.348 8.990 -11.136 1.00 0.00 C ATOM 0 H LEU A 41 2.164 10.735 -8.734 1.00 0.00 H new ATOM 0 HA LEU A 41 2.096 9.912 -11.473 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.623 12.095 -9.922 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.204 11.614 -11.554 1.00 0.00 H new ATOM 0 HG LEU A 41 0.346 9.659 -9.210 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.142 9.775 -9.233 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.429 11.362 -8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.068 11.036 -10.486 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.933 8.167 -10.724 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.864 9.404 -12.003 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.632 8.622 -11.439 1.00 0.00 H new ATOM 648 N ALA A 42 3.274 12.925 -10.858 1.00 0.00 N ATOM 649 CA ALA A 42 4.030 14.040 -11.487 1.00 0.00 C ATOM 650 C ALA A 42 5.335 13.493 -12.055 1.00 0.00 C ATOM 651 O ALA A 42 5.812 13.927 -13.086 1.00 0.00 O ATOM 652 CB ALA A 42 4.340 15.100 -10.426 1.00 0.00 C ATOM 0 H ALA A 42 3.126 13.016 -9.853 1.00 0.00 H new ATOM 0 HA ALA A 42 3.439 14.488 -12.286 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.894 15.920 -10.882 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.408 15.480 -10.008 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.939 14.655 -9.631 1.00 0.00 H new ATOM 658 N LYS A 43 5.914 12.534 -11.383 1.00 0.00 N ATOM 659 CA LYS A 43 7.192 11.936 -11.858 1.00 0.00 C ATOM 660 C LYS A 43 6.885 10.766 -12.795 1.00 0.00 C ATOM 661 O LYS A 43 7.120 10.834 -13.986 1.00 0.00 O ATOM 662 CB LYS A 43 7.990 11.428 -10.657 1.00 0.00 C ATOM 663 CG LYS A 43 9.429 11.134 -11.085 1.00 0.00 C ATOM 664 CD LYS A 43 10.251 10.712 -9.864 1.00 0.00 C ATOM 665 CE LYS A 43 11.692 10.434 -10.292 1.00 0.00 C ATOM 666 NZ LYS A 43 12.501 10.048 -9.100 1.00 0.00 N ATOM 0 H LYS A 43 5.551 12.137 -10.517 1.00 0.00 H new ATOM 0 HA LYS A 43 7.773 12.689 -12.391 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.981 12.172 -9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.528 10.526 -10.255 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.442 10.344 -11.836 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.870 12.018 -11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.230 11.498 -9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.817 9.821 -9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.714 9.636 -11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.119 11.319 -10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.481 9.859 -9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.490 10.823 -8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.097 9.192 -8.669 1.00 0.00 H new ATOM 680 N GLU A 44 6.363 9.687 -12.259 1.00 0.00 N ATOM 681 CA GLU A 44 6.038 8.488 -13.101 1.00 0.00 C ATOM 682 C GLU A 44 4.520 8.318 -13.191 1.00 0.00 C ATOM 683 O GLU A 44 3.809 8.421 -12.212 1.00 0.00 O ATOM 684 CB GLU A 44 6.657 7.240 -12.468 1.00 0.00 C ATOM 685 CG GLU A 44 8.181 7.329 -12.574 1.00 0.00 C ATOM 686 CD GLU A 44 8.817 6.104 -11.917 1.00 0.00 C ATOM 687 OE1 GLU A 44 8.078 5.264 -11.435 1.00 0.00 O ATOM 688 OE2 GLU A 44 10.036 6.028 -11.910 1.00 0.00 O ATOM 0 H GLU A 44 6.146 9.584 -11.268 1.00 0.00 H new ATOM 0 HA GLU A 44 6.444 8.628 -14.103 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.357 7.160 -11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.297 6.344 -12.973 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.479 7.388 -13.621 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.536 8.239 -12.090 1.00 0.00 H new ATOM 695 N SER A 45 4.023 8.069 -14.373 1.00 0.00 N ATOM 696 CA SER A 45 2.555 7.902 -14.557 1.00 0.00 C ATOM 697 C SER A 45 2.064 6.648 -13.828 1.00 0.00 C ATOM 698 O SER A 45 2.824 5.754 -13.515 1.00 0.00 O ATOM 699 CB SER A 45 2.247 7.780 -16.049 1.00 0.00 C ATOM 700 OG SER A 45 0.852 7.574 -16.225 1.00 0.00 O ATOM 0 H SER A 45 4.577 7.974 -15.224 1.00 0.00 H new ATOM 0 HA SER A 45 2.043 8.770 -14.141 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.562 8.683 -16.572 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.806 6.950 -16.481 1.00 0.00 H new ATOM 0 HG SER A 45 0.651 7.497 -17.181 1.00 0.00 H new ATOM 706 N THR A 46 0.789 6.589 -13.557 1.00 0.00 N ATOM 707 CA THR A 46 0.214 5.410 -12.846 1.00 0.00 C ATOM 708 C THR A 46 0.328 4.167 -13.734 1.00 0.00 C ATOM 709 O THR A 46 0.509 3.065 -13.256 1.00 0.00 O ATOM 710 CB THR A 46 -1.267 5.681 -12.530 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.979 4.452 -12.509 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.869 6.601 -13.598 1.00 0.00 C ATOM 0 H THR A 46 0.114 7.314 -13.800 1.00 0.00 H new ATOM 0 HA THR A 46 0.762 5.241 -11.919 1.00 0.00 H new ATOM 0 HB THR A 46 -1.342 6.165 -11.556 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.780 4.529 -13.068 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.918 6.788 -13.368 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.326 7.546 -13.612 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.792 6.124 -14.575 1.00 0.00 H new ATOM 720 N ASP A 47 0.221 4.337 -15.024 1.00 0.00 N ATOM 721 CA ASP A 47 0.324 3.169 -15.945 1.00 0.00 C ATOM 722 C ASP A 47 1.766 2.660 -15.964 1.00 0.00 C ATOM 723 O ASP A 47 2.037 1.540 -16.356 1.00 0.00 O ATOM 724 CB ASP A 47 -0.077 3.606 -17.356 1.00 0.00 C ATOM 725 CG ASP A 47 -1.584 3.862 -17.406 1.00 0.00 C ATOM 726 OD1 ASP A 47 -2.268 3.440 -16.488 1.00 0.00 O ATOM 727 OD2 ASP A 47 -2.031 4.477 -18.361 1.00 0.00 O ATOM 0 H ASP A 47 0.066 5.236 -15.481 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.338 2.373 -15.603 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.465 4.510 -17.635 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.195 2.835 -18.077 1.00 0.00 H new ATOM 732 N ASP A 48 2.696 3.475 -15.546 1.00 0.00 N ATOM 733 CA ASP A 48 4.124 3.049 -15.543 1.00 0.00 C ATOM 734 C ASP A 48 4.412 2.232 -14.284 1.00 0.00 C ATOM 735 O ASP A 48 5.493 1.700 -14.119 1.00 0.00 O ATOM 736 CB ASP A 48 5.021 4.289 -15.550 1.00 0.00 C ATOM 737 CG ASP A 48 4.892 5.010 -16.892 1.00 0.00 C ATOM 738 OD1 ASP A 48 4.359 4.417 -17.815 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.330 6.147 -16.975 1.00 0.00 O ATOM 0 H ASP A 48 2.527 4.421 -15.205 1.00 0.00 H new ATOM 0 HA ASP A 48 4.323 2.442 -16.426 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.739 4.959 -14.738 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.058 4.001 -15.379 1.00 0.00 H new ATOM 744 N ILE A 49 3.460 2.132 -13.392 1.00 0.00 N ATOM 745 CA ILE A 49 3.683 1.353 -12.133 1.00 0.00 C ATOM 746 C ILE A 49 3.074 -0.041 -12.273 1.00 0.00 C ATOM 747 O ILE A 49 1.879 -0.199 -12.428 1.00 0.00 O ATOM 748 CB ILE A 49 3.024 2.089 -10.963 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.653 3.478 -10.828 1.00 0.00 C ATOM 750 CG2 ILE A 49 3.245 1.300 -9.669 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.877 4.297 -9.795 1.00 0.00 C ATOM 0 H ILE A 49 2.536 2.556 -13.480 1.00 0.00 H new ATOM 0 HA ILE A 49 4.753 1.256 -11.949 1.00 0.00 H new ATOM 0 HB ILE A 49 1.954 2.185 -11.147 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.696 3.388 -10.525 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.644 3.987 -11.792 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.775 1.826 -8.838 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.803 0.308 -9.768 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.314 1.204 -9.480 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.327 5.285 -9.701 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.840 4.400 -10.116 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.909 3.791 -8.830 1.00 0.00 H new ATOM 763 N THR A 50 3.896 -1.056 -12.211 1.00 0.00 N ATOM 764 CA THR A 50 3.398 -2.457 -12.333 1.00 0.00 C ATOM 765 C THR A 50 3.348 -3.092 -10.943 1.00 0.00 C ATOM 766 O THR A 50 2.856 -4.188 -10.768 1.00 0.00 O ATOM 767 CB THR A 50 4.354 -3.254 -13.226 1.00 0.00 C ATOM 768 OG1 THR A 50 4.444 -2.624 -14.495 1.00 0.00 O ATOM 769 CG2 THR A 50 3.838 -4.684 -13.402 1.00 0.00 C ATOM 0 H THR A 50 4.904 -0.972 -12.079 1.00 0.00 H new ATOM 0 HA THR A 50 2.401 -2.461 -12.773 1.00 0.00 H new ATOM 0 HB THR A 50 5.338 -3.287 -12.759 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.056 -3.130 -15.069 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.524 -5.243 -14.038 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.770 -5.169 -12.428 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.852 -4.660 -13.865 1.00 0.00 H new ATOM 777 N GLY A 51 3.857 -2.410 -9.949 1.00 0.00 N ATOM 778 CA GLY A 51 3.838 -2.985 -8.573 1.00 0.00 C ATOM 779 C GLY A 51 4.292 -1.934 -7.556 1.00 0.00 C ATOM 780 O GLY A 51 4.596 -0.809 -7.900 1.00 0.00 O ATOM 0 H GLY A 51 4.282 -1.486 -10.031 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.833 -3.329 -8.328 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.493 -3.855 -8.525 1.00 0.00 H new ATOM 784 N MET A 52 4.330 -2.302 -6.299 1.00 0.00 N ATOM 785 CA MET A 52 4.757 -1.350 -5.224 1.00 0.00 C ATOM 786 C MET A 52 5.840 -2.009 -4.369 1.00 0.00 C ATOM 787 O MET A 52 5.826 -3.203 -4.150 1.00 0.00 O ATOM 788 CB MET A 52 3.550 -1.011 -4.346 1.00 0.00 C ATOM 789 CG MET A 52 3.965 -0.014 -3.263 1.00 0.00 C ATOM 790 SD MET A 52 2.499 0.508 -2.338 1.00 0.00 S ATOM 791 CE MET A 52 2.095 -1.098 -1.604 1.00 0.00 C ATOM 0 H MET A 52 4.080 -3.234 -5.967 1.00 0.00 H new ATOM 0 HA MET A 52 5.151 -0.438 -5.672 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.751 -0.589 -4.956 1.00 0.00 H new ATOM 0 HB3 MET A 52 3.155 -1.918 -3.887 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.690 -0.471 -2.590 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.451 0.851 -3.715 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.674 -0.948 -0.610 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.368 -1.613 -2.232 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.000 -1.701 -1.527 1.00 0.00 H new ATOM 801 N TYR A 53 6.789 -1.238 -3.894 1.00 0.00 N ATOM 802 CA TYR A 53 7.895 -1.811 -3.061 1.00 0.00 C ATOM 803 C TYR A 53 7.735 -1.390 -1.598 1.00 0.00 C ATOM 804 O TYR A 53 7.703 -0.220 -1.273 1.00 0.00 O ATOM 805 CB TYR A 53 9.229 -1.292 -3.596 1.00 0.00 C ATOM 806 CG TYR A 53 9.474 -1.888 -4.960 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.943 -1.273 -6.101 1.00 0.00 C ATOM 808 CD2 TYR A 53 10.228 -3.059 -5.084 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.168 -1.830 -7.366 1.00 0.00 C ATOM 810 CE2 TYR A 53 10.452 -3.618 -6.347 1.00 0.00 C ATOM 811 CZ TYR A 53 9.923 -3.004 -7.488 1.00 0.00 C ATOM 812 OH TYR A 53 10.144 -3.555 -8.733 1.00 0.00 O ATOM 0 H TYR A 53 6.846 -0.231 -4.048 1.00 0.00 H new ATOM 0 HA TYR A 53 7.862 -2.899 -3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.213 -0.204 -3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 53 10.038 -1.561 -2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.360 -0.369 -6.005 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.638 -3.532 -4.204 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.760 -1.355 -8.246 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.033 -4.523 -6.441 1.00 0.00 H new ATOM 0 HH TYR A 53 10.687 -4.366 -8.640 1.00 0.00 H new ATOM 822 N LEU A 54 7.644 -2.350 -0.711 1.00 0.00 N ATOM 823 CA LEU A 54 7.496 -2.039 0.744 1.00 0.00 C ATOM 824 C LEU A 54 8.865 -2.156 1.416 1.00 0.00 C ATOM 825 O LEU A 54 9.400 -3.238 1.564 1.00 0.00 O ATOM 826 CB LEU A 54 6.537 -3.049 1.371 1.00 0.00 C ATOM 827 CG LEU A 54 5.178 -2.988 0.655 1.00 0.00 C ATOM 828 CD1 LEU A 54 4.313 -4.185 1.084 1.00 0.00 C ATOM 829 CD2 LEU A 54 4.458 -1.673 1.005 1.00 0.00 C ATOM 0 H LEU A 54 7.666 -3.345 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 54 7.105 -1.030 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.953 -4.054 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.410 -2.834 2.432 1.00 0.00 H new ATOM 0 HG LEU A 54 5.340 -3.028 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.350 -4.139 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.819 -5.113 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.155 -4.152 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.496 -1.638 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.299 -1.621 2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.069 -0.828 0.687 1.00 0.00 H new ATOM 841 N ILE A 55 9.440 -1.050 1.816 1.00 0.00 N ATOM 842 CA ILE A 55 10.787 -1.079 2.467 1.00 0.00 C ATOM 843 C ILE A 55 10.647 -0.843 3.973 1.00 0.00 C ATOM 844 O ILE A 55 9.635 -0.367 4.451 1.00 0.00 O ATOM 845 CB ILE A 55 11.657 0.029 1.862 1.00 0.00 C ATOM 846 CG1 ILE A 55 12.000 -0.318 0.404 1.00 0.00 C ATOM 847 CG2 ILE A 55 12.956 0.162 2.666 1.00 0.00 C ATOM 848 CD1 ILE A 55 10.762 -0.191 -0.498 1.00 0.00 C ATOM 0 H ILE A 55 9.031 -0.121 1.719 1.00 0.00 H new ATOM 0 HA ILE A 55 11.248 -2.053 2.300 1.00 0.00 H new ATOM 0 HB ILE A 55 11.108 0.970 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.786 0.345 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.391 -1.334 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.572 0.950 2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.720 0.412 3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.501 -0.782 2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.032 -0.442 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.987 -0.873 -0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.388 0.832 -0.461 1.00 0.00 H new ATOM 860 N ASP A 56 11.667 -1.170 4.720 1.00 0.00 N ATOM 861 CA ASP A 56 11.620 -0.970 6.193 1.00 0.00 C ATOM 862 C ASP A 56 13.041 -1.011 6.757 1.00 0.00 C ATOM 863 O ASP A 56 14.001 -1.179 6.032 1.00 0.00 O ATOM 864 CB ASP A 56 10.788 -2.083 6.832 1.00 0.00 C ATOM 865 CG ASP A 56 10.652 -1.835 8.338 1.00 0.00 C ATOM 866 OD1 ASP A 56 10.766 -0.690 8.744 1.00 0.00 O ATOM 867 OD2 ASP A 56 10.446 -2.796 9.059 1.00 0.00 O ATOM 0 H ASP A 56 12.537 -1.570 4.368 1.00 0.00 H new ATOM 0 HA ASP A 56 11.167 -0.004 6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.801 -2.122 6.371 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.261 -3.049 6.655 1.00 0.00 H new ATOM 872 N ASP A 57 13.178 -0.867 8.045 1.00 0.00 N ATOM 873 CA ASP A 57 14.526 -0.905 8.665 1.00 0.00 C ATOM 874 C ASP A 57 15.071 -2.332 8.593 1.00 0.00 C ATOM 875 O ASP A 57 16.250 -2.568 8.772 1.00 0.00 O ATOM 876 CB ASP A 57 14.416 -0.466 10.125 1.00 0.00 C ATOM 877 CG ASP A 57 14.108 1.030 10.184 1.00 0.00 C ATOM 878 OD1 ASP A 57 14.271 1.690 9.171 1.00 0.00 O ATOM 879 OD2 ASP A 57 13.708 1.492 11.240 1.00 0.00 O ATOM 0 H ASP A 57 12.407 -0.724 8.697 1.00 0.00 H new ATOM 0 HA ASP A 57 15.201 -0.234 8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 57 13.630 -1.030 10.628 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.347 -0.678 10.651 1.00 0.00 H new ATOM 884 N GLU A 58 14.219 -3.286 8.330 1.00 0.00 N ATOM 885 CA GLU A 58 14.682 -4.696 8.240 1.00 0.00 C ATOM 886 C GLU A 58 13.559 -5.560 7.674 1.00 0.00 C ATOM 887 O GLU A 58 12.670 -5.989 8.384 1.00 0.00 O ATOM 888 CB GLU A 58 15.065 -5.210 9.629 1.00 0.00 C ATOM 889 CG GLU A 58 15.684 -6.609 9.516 1.00 0.00 C ATOM 890 CD GLU A 58 17.052 -6.513 8.836 1.00 0.00 C ATOM 891 OE1 GLU A 58 17.521 -5.404 8.645 1.00 0.00 O ATOM 892 OE2 GLU A 58 17.608 -7.552 8.522 1.00 0.00 O ATOM 0 H GLU A 58 13.221 -3.147 8.174 1.00 0.00 H new ATOM 0 HA GLU A 58 15.553 -4.746 7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.773 -4.526 10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.184 -5.243 10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.789 -7.052 10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.027 -7.263 8.943 1.00 0.00 H new ATOM 899 N GLY A 59 13.605 -5.824 6.397 1.00 0.00 N ATOM 900 CA GLY A 59 12.559 -6.676 5.743 1.00 0.00 C ATOM 901 C GLY A 59 11.804 -5.858 4.696 1.00 0.00 C ATOM 902 O GLY A 59 11.588 -4.674 4.855 1.00 0.00 O ATOM 0 H GLY A 59 14.331 -5.483 5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.024 -7.543 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.864 -7.054 6.493 1.00 0.00 H new ATOM 906 N GLU A 60 11.393 -6.487 3.627 1.00 0.00 N ATOM 907 CA GLU A 60 10.640 -5.756 2.568 1.00 0.00 C ATOM 908 C GLU A 60 9.726 -6.732 1.826 1.00 0.00 C ATOM 909 O GLU A 60 10.067 -7.879 1.615 1.00 0.00 O ATOM 910 CB GLU A 60 11.618 -5.112 1.576 1.00 0.00 C ATOM 911 CG GLU A 60 12.654 -6.142 1.112 1.00 0.00 C ATOM 912 CD GLU A 60 13.657 -6.410 2.235 1.00 0.00 C ATOM 913 OE1 GLU A 60 13.957 -5.484 2.971 1.00 0.00 O ATOM 914 OE2 GLU A 60 14.107 -7.539 2.342 1.00 0.00 O ATOM 0 H GLU A 60 11.547 -7.478 3.442 1.00 0.00 H new ATOM 0 HA GLU A 60 10.039 -4.974 3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.072 -4.722 0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.120 -4.266 2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.156 -7.069 0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.174 -5.775 0.227 1.00 0.00 H new ATOM 921 N ILE A 61 8.566 -6.275 1.428 1.00 0.00 N ATOM 922 CA ILE A 61 7.601 -7.148 0.686 1.00 0.00 C ATOM 923 C ILE A 61 7.247 -6.483 -0.642 1.00 0.00 C ATOM 924 O ILE A 61 6.931 -5.312 -0.698 1.00 0.00 O ATOM 925 CB ILE A 61 6.331 -7.347 1.523 1.00 0.00 C ATOM 926 CG1 ILE A 61 6.674 -8.156 2.780 1.00 0.00 C ATOM 927 CG2 ILE A 61 5.286 -8.099 0.696 1.00 0.00 C ATOM 928 CD1 ILE A 61 5.482 -8.157 3.741 1.00 0.00 C ATOM 0 H ILE A 61 8.241 -5.321 1.587 1.00 0.00 H new ATOM 0 HA ILE A 61 8.056 -8.121 0.499 1.00 0.00 H new ATOM 0 HB ILE A 61 5.929 -6.377 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.932 -9.179 2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.548 -7.728 3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.384 -8.240 1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.045 -7.522 -0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.684 -9.071 0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.733 -8.733 4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.244 -7.132 4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.619 -8.606 3.250 1.00 0.00 H new ATOM 940 N ILE A 62 7.310 -7.222 -1.717 1.00 0.00 N ATOM 941 CA ILE A 62 6.992 -6.645 -3.058 1.00 0.00 C ATOM 942 C ILE A 62 5.589 -7.069 -3.476 1.00 0.00 C ATOM 943 O ILE A 62 5.230 -8.225 -3.390 1.00 0.00 O ATOM 944 CB ILE A 62 7.999 -7.173 -4.085 1.00 0.00 C ATOM 945 CG1 ILE A 62 9.395 -6.624 -3.765 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.584 -6.722 -5.488 1.00 0.00 C ATOM 947 CD1 ILE A 62 9.913 -7.199 -2.436 1.00 0.00 C ATOM 0 H ILE A 62 7.570 -8.208 -1.725 1.00 0.00 H new ATOM 0 HA ILE A 62 7.046 -5.558 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 62 8.019 -8.262 -4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.084 -6.878 -4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.359 -5.536 -3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.301 -7.098 -6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.593 -7.113 -5.718 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.562 -5.633 -5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.904 -6.797 -2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.233 -6.923 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.969 -8.285 -2.507 1.00 0.00 H new ATOM 959 N THR A 63 4.794 -6.132 -3.928 1.00 0.00 N ATOM 960 CA THR A 63 3.401 -6.452 -4.365 1.00 0.00 C ATOM 961 C THR A 63 3.230 -6.070 -5.833 1.00 0.00 C ATOM 962 O THR A 63 3.435 -4.938 -6.224 1.00 0.00 O ATOM 963 CB THR A 63 2.407 -5.660 -3.509 1.00 0.00 C ATOM 964 OG1 THR A 63 2.469 -6.126 -2.168 1.00 0.00 O ATOM 965 CG2 THR A 63 0.988 -5.845 -4.055 1.00 0.00 C ATOM 0 H THR A 63 5.054 -5.149 -4.014 1.00 0.00 H new ATOM 0 HA THR A 63 3.215 -7.519 -4.245 1.00 0.00 H new ATOM 0 HB THR A 63 2.664 -4.601 -3.540 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.571 -5.363 -1.561 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.286 -5.280 -3.442 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.944 -5.485 -5.083 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.723 -6.902 -4.029 1.00 0.00 H new ATOM 973 N ARG A 64 2.845 -7.015 -6.647 1.00 0.00 N ATOM 974 CA ARG A 64 2.640 -6.737 -8.095 1.00 0.00 C ATOM 975 C ARG A 64 1.152 -6.499 -8.331 1.00 0.00 C ATOM 976 O ARG A 64 0.717 -6.213 -9.428 1.00 0.00 O ATOM 977 CB ARG A 64 3.104 -7.951 -8.906 1.00 0.00 C ATOM 978 CG ARG A 64 4.590 -8.232 -8.634 1.00 0.00 C ATOM 979 CD ARG A 64 5.469 -7.287 -9.464 1.00 0.00 C ATOM 980 NE ARG A 64 6.905 -7.634 -9.261 1.00 0.00 N ATOM 981 CZ ARG A 64 7.446 -8.617 -9.931 1.00 0.00 C ATOM 982 NH1 ARG A 64 6.723 -9.321 -10.760 1.00 0.00 N ATOM 983 NH2 ARG A 64 8.710 -8.896 -9.768 1.00 0.00 N ATOM 0 H ARG A 64 2.662 -7.978 -6.366 1.00 0.00 H new ATOM 0 HA ARG A 64 3.210 -5.860 -8.402 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.507 -8.824 -8.642 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.949 -7.768 -9.969 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.804 -8.101 -7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.823 -9.268 -8.881 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.211 -7.367 -10.520 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.289 -6.253 -9.169 1.00 0.00 H new ATOM 0 HE ARG A 64 7.467 -7.102 -8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.734 -9.104 -10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.147 -10.088 -11.282 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.274 -8.347 -9.119 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.134 -9.663 -10.290 1.00 0.00 H new ATOM 997 N GLU A 65 0.369 -6.608 -7.292 1.00 0.00 N ATOM 998 CA GLU A 65 -1.095 -6.382 -7.422 1.00 0.00 C ATOM 999 C GLU A 65 -1.388 -4.903 -7.183 1.00 0.00 C ATOM 1000 O GLU A 65 -1.924 -4.523 -6.161 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.831 -7.238 -6.386 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.684 -8.714 -6.763 1.00 0.00 C ATOM 1003 CD GLU A 65 -2.367 -9.589 -5.710 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -2.921 -9.034 -4.775 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -2.327 -10.798 -5.860 1.00 0.00 O ATOM 0 H GLU A 65 0.686 -6.846 -6.352 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.434 -6.662 -8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.421 -7.061 -5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.885 -6.962 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.128 -8.894 -7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.629 -8.976 -6.838 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.028 -4.065 -8.126 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.263 -2.593 -7.981 1.00 0.00 C ATOM 1014 C VAL A 66 -2.126 -2.102 -9.141 1.00 0.00 C ATOM 1015 O VAL A 66 -1.880 -2.416 -10.289 1.00 0.00 O ATOM 1016 CB VAL A 66 0.083 -1.860 -7.989 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.144 -0.349 -8.114 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.821 -2.154 -6.681 1.00 0.00 C ATOM 0 H VAL A 66 -0.577 -4.341 -8.998 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.776 -2.393 -7.040 1.00 0.00 H new ATOM 0 HB VAL A 66 0.676 -2.203 -8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.818 0.164 -8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.674 -0.136 -9.043 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.738 0.001 -7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.780 -1.636 -6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.221 -1.809 -5.839 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.989 -3.227 -6.591 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.142 -1.333 -8.842 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.047 -0.804 -9.908 1.00 0.00 C ATOM 1030 C LYS A 67 -4.198 0.707 -9.740 1.00 0.00 C ATOM 1031 O LYS A 67 -4.223 1.222 -8.639 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.416 -1.471 -9.781 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.289 -2.955 -10.123 1.00 0.00 C ATOM 1034 CD LYS A 67 -6.655 -3.626 -9.976 1.00 0.00 C ATOM 1035 CE LYS A 67 -6.533 -5.114 -10.311 1.00 0.00 C ATOM 1036 NZ LYS A 67 -7.864 -5.765 -10.147 1.00 0.00 N ATOM 0 H LYS A 67 -3.386 -1.046 -7.894 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.625 -1.019 -10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.799 -1.351 -8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.130 -0.992 -10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.920 -3.075 -11.142 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.564 -3.431 -9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.026 -3.501 -8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.378 -3.151 -10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.177 -5.241 -11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.800 -5.587 -9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.786 -6.777 -10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.186 -5.654 -9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.550 -5.319 -10.788 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.289 1.422 -10.827 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.428 2.906 -10.747 1.00 0.00 C ATOM 1052 C GLY A 68 -5.906 3.290 -10.695 1.00 0.00 C ATOM 1053 O GLY A 68 -6.725 2.746 -11.408 1.00 0.00 O ATOM 0 H GLY A 68 -4.273 1.041 -11.773 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.915 3.280 -9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.953 3.371 -11.611 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.246 4.236 -9.857 1.00 0.00 N ATOM 1058 CA LYS A 69 -7.667 4.685 -9.746 1.00 0.00 C ATOM 1059 C LYS A 69 -7.809 6.052 -10.410 1.00 0.00 C ATOM 1060 O LYS A 69 -7.067 6.980 -10.128 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.047 4.785 -8.266 1.00 0.00 C ATOM 1062 CG LYS A 69 -7.972 3.397 -7.605 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.100 2.495 -8.129 1.00 0.00 C ATOM 1064 CE LYS A 69 -9.272 1.293 -7.200 1.00 0.00 C ATOM 1065 NZ LYS A 69 -10.453 0.502 -7.642 1.00 0.00 N ATOM 0 H LYS A 69 -5.594 4.721 -9.240 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.326 3.971 -10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.375 5.476 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.055 5.189 -8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.005 2.939 -7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.051 3.497 -6.522 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.032 3.058 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.868 2.156 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.376 0.673 -7.218 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.407 1.629 -6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.576 -0.318 -7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.304 1.098 -7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.305 0.172 -8.617 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.758 6.176 -11.302 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.971 7.465 -12.022 1.00 0.00 C ATOM 1081 C PHE A 70 -10.168 8.195 -11.424 1.00 0.00 C ATOM 1082 O PHE A 70 -11.267 7.681 -11.390 1.00 0.00 O ATOM 1083 CB PHE A 70 -9.242 7.178 -13.499 1.00 0.00 C ATOM 1084 CG PHE A 70 -8.059 6.453 -14.098 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -6.987 7.184 -14.623 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -8.036 5.055 -14.129 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -5.891 6.514 -15.181 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -6.940 4.385 -14.686 1.00 0.00 C ATOM 1089 CZ PHE A 70 -5.868 5.115 -15.211 1.00 0.00 C ATOM 0 H PHE A 70 -9.401 5.429 -11.564 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.081 8.087 -11.923 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.143 6.574 -13.603 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -9.420 8.110 -14.035 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.005 8.264 -14.598 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.864 4.492 -13.723 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.064 7.077 -15.588 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.922 3.305 -14.710 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.022 4.598 -15.640 1.00 0.00 H new ATOM 1099 N ILE A 71 -9.954 9.399 -10.960 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.061 10.202 -10.358 1.00 0.00 C ATOM 1101 C ILE A 71 -11.290 11.458 -11.198 1.00 0.00 C ATOM 1102 O ILE A 71 -10.361 12.071 -11.683 1.00 0.00 O ATOM 1103 CB ILE A 71 -10.691 10.600 -8.931 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -10.563 9.337 -8.076 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -11.789 11.497 -8.357 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -9.958 9.694 -6.718 1.00 0.00 C ATOM 0 H ILE A 71 -9.047 9.866 -10.973 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.973 9.605 -10.338 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.744 11.140 -8.930 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.542 8.878 -7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.935 8.605 -8.584 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -11.529 11.784 -7.338 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.886 12.392 -8.972 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.735 10.956 -8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.868 8.793 -6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.971 10.133 -6.864 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.603 10.411 -6.209 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.532 11.821 -11.386 1.00 0.00 N ATOM 1119 CA ASN A 72 -12.870 13.025 -12.200 1.00 0.00 C ATOM 1120 C ASN A 72 -12.316 12.865 -13.618 1.00 0.00 C ATOM 1121 O ASN A 72 -11.948 13.827 -14.262 1.00 0.00 O ATOM 1122 CB ASN A 72 -12.297 14.286 -11.540 1.00 0.00 C ATOM 1123 CG ASN A 72 -13.091 14.590 -10.268 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -14.194 14.104 -10.099 1.00 0.00 O ATOM 1125 ND2 ASN A 72 -12.581 15.377 -9.361 1.00 0.00 N ATOM 0 H ASN A 72 -13.338 11.326 -11.004 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.954 13.126 -12.256 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.244 14.139 -11.300 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.353 15.129 -12.229 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.107 15.584 -8.512 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.657 15.785 -9.501 1.00 0.00 H new ATOM 1132 N GLY A 73 -12.278 11.656 -14.111 1.00 0.00 N ATOM 1133 CA GLY A 73 -11.775 11.426 -15.495 1.00 0.00 C ATOM 1134 C GLY A 73 -10.276 11.708 -15.568 1.00 0.00 C ATOM 1135 O GLY A 73 -9.744 11.996 -16.622 1.00 0.00 O ATOM 0 H GLY A 73 -12.574 10.816 -13.613 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.973 10.397 -15.795 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.308 12.070 -16.195 1.00 0.00 H new ATOM 1139 N ARG A 74 -9.583 11.625 -14.463 1.00 0.00 N ATOM 1140 CA ARG A 74 -8.115 11.888 -14.485 1.00 0.00 C ATOM 1141 C ARG A 74 -7.434 11.078 -13.372 1.00 0.00 C ATOM 1142 O ARG A 74 -8.017 10.844 -12.331 1.00 0.00 O ATOM 1143 CB ARG A 74 -7.858 13.383 -14.265 1.00 0.00 C ATOM 1144 CG ARG A 74 -8.659 13.878 -13.057 1.00 0.00 C ATOM 1145 CD ARG A 74 -8.360 15.361 -12.819 1.00 0.00 C ATOM 1146 NE ARG A 74 -9.035 16.176 -13.870 1.00 0.00 N ATOM 1147 CZ ARG A 74 -8.616 17.387 -14.137 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -7.608 17.894 -13.479 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -9.210 18.091 -15.062 1.00 0.00 N ATOM 0 H ARG A 74 -9.969 11.387 -13.549 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.707 11.591 -15.451 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.794 13.558 -14.103 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.142 13.944 -15.155 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.725 13.734 -13.231 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.399 13.297 -12.172 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.709 15.660 -11.831 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.284 15.535 -12.843 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.827 15.788 -14.383 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.145 17.346 -12.754 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.284 18.838 -13.690 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.999 17.697 -15.575 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.885 19.035 -15.272 1.00 0.00 H new ATOM 1163 N PRO A 75 -6.206 10.656 -13.580 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.451 9.870 -12.559 1.00 0.00 C ATOM 1165 C PRO A 75 -5.121 10.725 -11.335 1.00 0.00 C ATOM 1166 O PRO A 75 -4.282 11.601 -11.390 1.00 0.00 O ATOM 1167 CB PRO A 75 -4.171 9.436 -13.296 1.00 0.00 C ATOM 1168 CG PRO A 75 -3.998 10.433 -14.397 1.00 0.00 C ATOM 1169 CD PRO A 75 -5.405 10.881 -14.795 1.00 0.00 C ATOM 0 HA PRO A 75 -6.022 9.023 -12.178 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.311 9.436 -12.626 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.267 8.425 -13.691 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.400 11.281 -14.063 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.477 9.989 -15.245 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.421 11.929 -15.095 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.785 10.302 -15.637 1.00 0.00 H new ATOM 1177 N THR A 76 -5.788 10.484 -10.235 1.00 0.00 N ATOM 1178 CA THR A 76 -5.537 11.286 -8.999 1.00 0.00 C ATOM 1179 C THR A 76 -5.352 10.357 -7.800 1.00 0.00 C ATOM 1180 O THR A 76 -4.963 10.791 -6.733 1.00 0.00 O ATOM 1181 CB THR A 76 -6.738 12.205 -8.747 1.00 0.00 C ATOM 1182 OG1 THR A 76 -7.154 12.783 -9.976 1.00 0.00 O ATOM 1183 CG2 THR A 76 -6.347 13.312 -7.764 1.00 0.00 C ATOM 0 H THR A 76 -6.501 9.761 -10.139 1.00 0.00 H new ATOM 0 HA THR A 76 -4.633 11.880 -9.132 1.00 0.00 H new ATOM 0 HB THR A 76 -7.556 11.623 -8.322 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.923 13.370 -9.818 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.204 13.962 -7.588 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.031 12.866 -6.821 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.528 13.897 -8.182 1.00 0.00 H new ATOM 1191 N ALA A 77 -5.631 9.086 -7.949 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.470 8.157 -6.788 1.00 0.00 C ATOM 1193 C ALA A 77 -5.035 6.776 -7.271 1.00 0.00 C ATOM 1194 O ALA A 77 -5.291 6.383 -8.392 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.799 8.037 -6.043 1.00 0.00 C ATOM 0 H ALA A 77 -5.959 8.655 -8.813 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.706 8.556 -6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.682 7.360 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.104 9.019 -5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.560 7.646 -6.718 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.375 6.038 -6.416 1.00 0.00 N ATOM 1202 CA ILE A 78 -3.901 4.668 -6.780 1.00 0.00 C ATOM 1203 C ILE A 78 -4.307 3.699 -5.673 1.00 0.00 C ATOM 1204 O ILE A 78 -4.577 4.099 -4.558 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.379 4.675 -6.916 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -1.983 5.562 -8.096 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -1.881 3.249 -7.154 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.470 5.785 -8.086 1.00 0.00 C ATOM 0 H ILE A 78 -4.141 6.331 -5.467 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.345 4.360 -7.727 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.931 5.064 -6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.285 5.094 -9.033 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.502 6.519 -8.035 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.795 3.254 -7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.167 2.618 -6.312 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.325 2.856 -8.069 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.190 6.418 -8.928 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.180 6.271 -7.155 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.040 4.825 -8.168 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.361 2.427 -5.969 1.00 0.00 N ATOM 1221 CA GLU A 79 -4.758 1.427 -4.932 1.00 0.00 C ATOM 1222 C GLU A 79 -3.901 0.174 -5.079 1.00 0.00 C ATOM 1223 O GLU A 79 -3.475 -0.180 -6.161 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.235 1.064 -5.124 1.00 0.00 C ATOM 1225 CG GLU A 79 -6.722 0.204 -3.950 1.00 0.00 C ATOM 1226 CD GLU A 79 -6.209 -1.231 -4.105 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -6.033 -1.660 -5.233 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -5.999 -1.875 -3.090 1.00 0.00 O ATOM 0 H GLU A 79 -4.147 2.036 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.611 1.849 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.835 1.971 -5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.366 0.522 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.369 0.626 -3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.811 0.208 -3.913 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.647 -0.506 -3.991 1.00 0.00 N ATOM 1236 CA ALA A 80 -2.820 -1.746 -4.046 1.00 0.00 C ATOM 1237 C ALA A 80 -3.421 -2.788 -3.106 1.00 0.00 C ATOM 1238 O ALA A 80 -3.916 -2.465 -2.046 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.388 -1.427 -3.612 1.00 0.00 C ATOM 0 H ALA A 80 -3.980 -0.253 -3.061 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.807 -2.135 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.785 -2.334 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.963 -0.679 -4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.394 -1.041 -2.593 1.00 0.00 H new ATOM 1245 N THR A 81 -3.388 -4.037 -3.498 1.00 0.00 N ATOM 1246 CA THR A 81 -3.964 -5.127 -2.650 1.00 0.00 C ATOM 1247 C THR A 81 -2.876 -6.141 -2.308 1.00 0.00 C ATOM 1248 O THR A 81 -2.130 -6.577 -3.161 1.00 0.00 O ATOM 1249 CB THR A 81 -5.088 -5.822 -3.417 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.099 -4.874 -3.729 1.00 0.00 O ATOM 1251 CG2 THR A 81 -5.680 -6.935 -2.552 1.00 0.00 C ATOM 0 H THR A 81 -2.982 -4.352 -4.379 1.00 0.00 H new ATOM 0 HA THR A 81 -4.359 -4.700 -1.728 1.00 0.00 H new ATOM 0 HB THR A 81 -4.693 -6.250 -4.338 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.868 -4.007 -3.334 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.482 -7.432 -3.097 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.903 -7.660 -2.309 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.078 -6.508 -1.631 1.00 0.00 H new ATOM 1259 N VAL A 82 -2.780 -6.514 -1.055 1.00 0.00 N ATOM 1260 CA VAL A 82 -1.742 -7.500 -0.622 1.00 0.00 C ATOM 1261 C VAL A 82 -2.434 -8.793 -0.185 1.00 0.00 C ATOM 1262 O VAL A 82 -3.391 -8.776 0.563 1.00 0.00 O ATOM 1263 CB VAL A 82 -0.955 -6.912 0.553 1.00 0.00 C ATOM 1264 CG1 VAL A 82 -0.070 -7.993 1.180 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.078 -5.766 0.045 1.00 0.00 C ATOM 0 H VAL A 82 -3.383 -6.173 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.060 -7.714 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.650 -6.540 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.487 -7.568 2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.694 -8.811 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.628 -8.370 0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.485 -5.343 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.614 -6.144 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.708 -4.994 -0.397 1.00 0.00 H new ATOM 1275 N ILE A 83 -1.960 -9.916 -0.657 1.00 0.00 N ATOM 1276 CA ILE A 83 -2.590 -11.219 -0.287 1.00 0.00 C ATOM 1277 C ILE A 83 -1.847 -11.846 0.892 1.00 0.00 C ATOM 1278 O ILE A 83 -0.661 -12.097 0.833 1.00 0.00 O ATOM 1279 CB ILE A 83 -2.527 -12.165 -1.484 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -2.999 -11.429 -2.746 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -3.420 -13.380 -1.225 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -4.366 -10.781 -2.499 1.00 0.00 C ATOM 0 H ILE A 83 -1.160 -9.988 -1.286 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.628 -11.047 -0.003 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.500 -12.501 -1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.272 -10.667 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.065 -12.127 -3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.374 -14.054 -2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.075 -13.902 -0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.449 -13.051 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.691 -10.262 -3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.093 -11.552 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.288 -10.068 -1.678 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.550 -12.109 1.960 1.00 0.00 N ATOM 1295 CA LEU A 84 -1.917 -12.731 3.160 1.00 0.00 C ATOM 1296 C LEU A 84 -2.253 -14.224 3.171 1.00 0.00 C ATOM 1297 O LEU A 84 -3.138 -14.670 3.875 1.00 0.00 O ATOM 1298 CB LEU A 84 -2.471 -12.056 4.416 1.00 0.00 C ATOM 1299 CG LEU A 84 -2.216 -10.544 4.335 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -2.843 -9.854 5.551 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -0.703 -10.265 4.314 1.00 0.00 C ATOM 0 H LEU A 84 -3.547 -11.917 2.054 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.835 -12.604 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.539 -12.252 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.995 -12.469 5.305 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.664 -10.156 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.662 -8.781 5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.917 -10.041 5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.397 -10.249 6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.532 -9.190 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.248 -10.657 5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.255 -10.750 3.447 1.00 0.00 H new ATOM 1313 N ASN A 85 -1.553 -14.997 2.381 1.00 0.00 N ATOM 1314 CA ASN A 85 -1.825 -16.462 2.318 1.00 0.00 C ATOM 1315 C ASN A 85 -1.023 -17.191 3.397 1.00 0.00 C ATOM 1316 O ASN A 85 -1.173 -18.382 3.585 1.00 0.00 O ATOM 1317 CB ASN A 85 -1.413 -16.992 0.942 1.00 0.00 C ATOM 1318 CG ASN A 85 -2.405 -16.512 -0.122 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -2.026 -16.259 -1.248 1.00 0.00 O ATOM 1320 ND2 ASN A 85 -3.668 -16.382 0.184 1.00 0.00 N ATOM 0 H ASN A 85 -0.800 -14.673 1.774 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.888 -16.636 2.483 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -0.408 -16.648 0.696 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -1.382 -18.081 0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.334 -16.069 -0.522 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.988 -16.594 1.129 1.00 0.00 H new ATOM 1327 N SER A 86 -0.171 -16.488 4.105 1.00 0.00 N ATOM 1328 CA SER A 86 0.652 -17.136 5.179 1.00 0.00 C ATOM 1329 C SER A 86 0.273 -16.554 6.544 1.00 0.00 C ATOM 1330 O SER A 86 0.143 -15.358 6.715 1.00 0.00 O ATOM 1331 CB SER A 86 2.136 -16.881 4.907 1.00 0.00 C ATOM 1332 OG SER A 86 2.865 -17.009 6.120 1.00 0.00 O ATOM 0 H SER A 86 -0.009 -15.488 3.985 1.00 0.00 H new ATOM 0 HA SER A 86 0.461 -18.209 5.182 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.509 -17.591 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.275 -15.884 4.489 1.00 0.00 H new ATOM 0 HG SER A 86 3.541 -17.712 6.023 1.00 0.00 H new ATOM 1338 N GLN A 87 0.094 -17.409 7.512 1.00 0.00 N ATOM 1339 CA GLN A 87 -0.280 -16.957 8.884 1.00 0.00 C ATOM 1340 C GLN A 87 0.785 -15.998 9.447 1.00 0.00 C ATOM 1341 O GLN A 87 0.484 -14.863 9.762 1.00 0.00 O ATOM 1342 CB GLN A 87 -0.417 -18.198 9.797 1.00 0.00 C ATOM 1343 CG GLN A 87 -1.892 -18.606 9.921 1.00 0.00 C ATOM 1344 CD GLN A 87 -2.470 -18.864 8.529 1.00 0.00 C ATOM 1345 OE1 GLN A 87 -2.151 -19.854 7.901 1.00 0.00 O ATOM 1346 NE2 GLN A 87 -3.313 -18.009 8.018 1.00 0.00 N ATOM 0 H GLN A 87 0.192 -18.419 7.410 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.228 -16.421 8.844 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.163 -19.025 9.388 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.009 -17.979 10.784 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.982 -19.502 10.535 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.457 -17.819 10.421 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.580 -17.178 8.546 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.705 -18.171 7.090 1.00 0.00 H new ATOM 1355 N PRO A 88 2.014 -16.438 9.592 1.00 0.00 N ATOM 1356 CA PRO A 88 3.101 -15.579 10.146 1.00 0.00 C ATOM 1357 C PRO A 88 3.155 -14.212 9.450 1.00 0.00 C ATOM 1358 O PRO A 88 3.677 -13.253 9.982 1.00 0.00 O ATOM 1359 CB PRO A 88 4.404 -16.383 9.901 1.00 0.00 C ATOM 1360 CG PRO A 88 4.013 -17.588 9.084 1.00 0.00 C ATOM 1361 CD PRO A 88 2.507 -17.786 9.266 1.00 0.00 C ATOM 0 HA PRO A 88 2.943 -15.360 11.202 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.140 -15.778 9.372 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.858 -16.684 10.845 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.257 -17.436 8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.560 -18.471 9.414 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.042 -18.174 8.360 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.290 -18.496 10.065 1.00 0.00 H new ATOM 1369 N GLU A 89 2.618 -14.121 8.268 1.00 0.00 N ATOM 1370 CA GLU A 89 2.633 -12.828 7.536 1.00 0.00 C ATOM 1371 C GLU A 89 1.769 -11.802 8.281 1.00 0.00 C ATOM 1372 O GLU A 89 2.103 -10.635 8.358 1.00 0.00 O ATOM 1373 CB GLU A 89 2.066 -13.053 6.135 1.00 0.00 C ATOM 1374 CG GLU A 89 2.369 -11.843 5.254 1.00 0.00 C ATOM 1375 CD GLU A 89 3.867 -11.797 4.953 1.00 0.00 C ATOM 1376 OE1 GLU A 89 4.553 -12.742 5.308 1.00 0.00 O ATOM 1377 OE2 GLU A 89 4.305 -10.819 4.369 1.00 0.00 O ATOM 0 H GLU A 89 2.167 -14.892 7.775 1.00 0.00 H new ATOM 0 HA GLU A 89 3.654 -12.451 7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.501 -13.951 5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.989 -13.214 6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.802 -11.904 4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.059 -10.927 5.757 1.00 0.00 H new ATOM 1384 N TRP A 90 0.664 -12.230 8.831 1.00 0.00 N ATOM 1385 CA TRP A 90 -0.224 -11.287 9.571 1.00 0.00 C ATOM 1386 C TRP A 90 0.553 -10.639 10.721 1.00 0.00 C ATOM 1387 O TRP A 90 0.381 -9.474 11.017 1.00 0.00 O ATOM 1388 CB TRP A 90 -1.435 -12.067 10.131 1.00 0.00 C ATOM 1389 CG TRP A 90 -2.584 -11.995 9.174 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.960 -12.978 8.327 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -3.506 -10.892 8.961 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -4.059 -12.547 7.604 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -4.433 -11.264 7.960 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -3.626 -9.614 9.535 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -5.445 -10.398 7.544 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -4.642 -8.740 9.119 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -5.550 -9.130 8.124 1.00 0.00 C ATOM 0 H TRP A 90 0.337 -13.196 8.799 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.573 -10.506 8.896 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -1.159 -13.108 10.302 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.729 -11.653 11.095 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -2.482 -13.942 8.230 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -4.534 -13.107 6.896 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.931 -9.303 10.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -6.143 -10.705 6.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.725 -7.761 9.568 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -6.329 -8.452 7.806 1.00 0.00 H new ATOM 1408 N ASP A 91 1.396 -11.385 11.373 1.00 0.00 N ATOM 1409 CA ASP A 91 2.170 -10.809 12.504 1.00 0.00 C ATOM 1410 C ASP A 91 3.025 -9.649 11.996 1.00 0.00 C ATOM 1411 O ASP A 91 3.102 -8.603 12.608 1.00 0.00 O ATOM 1412 CB ASP A 91 3.072 -11.894 13.091 1.00 0.00 C ATOM 1413 CG ASP A 91 3.904 -11.307 14.232 1.00 0.00 C ATOM 1414 OD1 ASP A 91 3.629 -10.186 14.625 1.00 0.00 O ATOM 1415 OD2 ASP A 91 4.801 -11.992 14.695 1.00 0.00 O ATOM 0 H ASP A 91 1.583 -12.367 11.172 1.00 0.00 H new ATOM 0 HA ASP A 91 1.489 -10.443 13.272 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.468 -12.724 13.457 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.728 -12.294 12.318 1.00 0.00 H new ATOM 1420 N ARG A 92 3.669 -9.829 10.877 1.00 0.00 N ATOM 1421 CA ARG A 92 4.519 -8.744 10.318 1.00 0.00 C ATOM 1422 C ARG A 92 3.641 -7.574 9.873 1.00 0.00 C ATOM 1423 O ARG A 92 3.982 -6.422 10.062 1.00 0.00 O ATOM 1424 CB ARG A 92 5.288 -9.285 9.108 1.00 0.00 C ATOM 1425 CG ARG A 92 6.284 -10.369 9.545 1.00 0.00 C ATOM 1426 CD ARG A 92 7.554 -9.730 10.121 1.00 0.00 C ATOM 1427 NE ARG A 92 8.559 -10.795 10.408 1.00 0.00 N ATOM 1428 CZ ARG A 92 9.457 -10.624 11.346 1.00 0.00 C ATOM 1429 NH1 ARG A 92 9.483 -9.517 12.039 1.00 0.00 N ATOM 1430 NH2 ARG A 92 10.333 -11.562 11.587 1.00 0.00 N ATOM 0 H ARG A 92 3.642 -10.685 10.324 1.00 0.00 H new ATOM 0 HA ARG A 92 5.217 -8.400 11.082 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.589 -9.697 8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.820 -8.472 8.614 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.823 -11.015 10.293 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.541 -11.000 8.694 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.964 -9.009 9.414 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.317 -9.183 11.033 1.00 0.00 H new ATOM 0 HE ARG A 92 8.547 -11.662 9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.802 -8.781 11.851 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.184 -9.388 12.769 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.317 -12.426 11.045 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.033 -11.431 12.317 1.00 0.00 H new ATOM 1444 N PHE A 93 2.520 -7.860 9.270 1.00 0.00 N ATOM 1445 CA PHE A 93 1.631 -6.764 8.799 1.00 0.00 C ATOM 1446 C PHE A 93 1.167 -5.927 9.989 1.00 0.00 C ATOM 1447 O PHE A 93 1.243 -4.713 9.975 1.00 0.00 O ATOM 1448 CB PHE A 93 0.414 -7.372 8.100 1.00 0.00 C ATOM 1449 CG PHE A 93 -0.363 -6.281 7.408 1.00 0.00 C ATOM 1450 CD1 PHE A 93 -1.358 -5.582 8.101 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -0.086 -5.970 6.074 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -2.077 -4.569 7.456 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -0.805 -4.957 5.428 1.00 0.00 C ATOM 1454 CZ PHE A 93 -1.802 -4.256 6.119 1.00 0.00 C ATOM 0 H PHE A 93 2.183 -8.804 9.084 1.00 0.00 H new ATOM 0 HA PHE A 93 2.177 -6.126 8.104 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.734 -8.121 7.376 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.220 -7.881 8.826 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.571 -5.824 9.132 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.682 -6.511 5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.844 -4.028 7.990 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.591 -4.716 4.397 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.358 -3.475 5.621 1.00 0.00 H new ATOM 1464 N MET A 94 0.692 -6.566 11.021 1.00 0.00 N ATOM 1465 CA MET A 94 0.224 -5.810 12.215 1.00 0.00 C ATOM 1466 C MET A 94 1.423 -5.175 12.921 1.00 0.00 C ATOM 1467 O MET A 94 1.364 -4.049 13.375 1.00 0.00 O ATOM 1468 CB MET A 94 -0.482 -6.770 13.174 1.00 0.00 C ATOM 1469 CG MET A 94 -1.781 -7.264 12.538 1.00 0.00 C ATOM 1470 SD MET A 94 -2.579 -8.457 13.645 1.00 0.00 S ATOM 1471 CE MET A 94 -2.981 -7.307 14.984 1.00 0.00 C ATOM 0 H MET A 94 0.608 -7.580 11.089 1.00 0.00 H new ATOM 0 HA MET A 94 -0.468 -5.027 11.904 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.167 -7.615 13.403 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.695 -6.267 14.117 1.00 0.00 H new ATOM 0 HG2 MET A 94 -2.449 -6.423 12.349 1.00 0.00 H new ATOM 0 HG3 MET A 94 -1.573 -7.729 11.574 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.842 -7.680 15.538 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.128 -7.219 15.656 1.00 0.00 H new ATOM 0 HE3 MET A 94 -3.216 -6.328 14.565 1.00 0.00 H new ATOM 1481 N ARG A 95 2.511 -5.892 13.019 1.00 0.00 N ATOM 1482 CA ARG A 95 3.715 -5.338 13.699 1.00 0.00 C ATOM 1483 C ARG A 95 4.230 -4.121 12.930 1.00 0.00 C ATOM 1484 O ARG A 95 4.478 -3.072 13.496 1.00 0.00 O ATOM 1485 CB ARG A 95 4.801 -6.418 13.737 1.00 0.00 C ATOM 1486 CG ARG A 95 6.019 -5.901 14.505 1.00 0.00 C ATOM 1487 CD ARG A 95 7.103 -6.982 14.539 1.00 0.00 C ATOM 1488 NE ARG A 95 6.624 -8.153 15.327 1.00 0.00 N ATOM 1489 CZ ARG A 95 6.708 -8.152 16.630 1.00 0.00 C ATOM 1490 NH1 ARG A 95 7.199 -7.114 17.255 1.00 0.00 N ATOM 1491 NH2 ARG A 95 6.305 -9.189 17.310 1.00 0.00 N ATOM 0 H ARG A 95 2.617 -6.839 12.656 1.00 0.00 H new ATOM 0 HA ARG A 95 3.457 -5.033 14.713 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.414 -7.319 14.214 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.089 -6.693 12.722 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.405 -4.999 14.029 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.732 -5.628 15.520 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.352 -7.292 13.524 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.015 -6.582 14.983 1.00 0.00 H new ATOM 0 HE ARG A 95 6.228 -8.960 14.845 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.517 -6.303 16.725 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.264 -7.115 18.273 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.924 -10.001 16.824 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.371 -9.188 18.328 1.00 0.00 H new ATOM 1505 N PHE A 96 4.383 -4.252 11.643 1.00 0.00 N ATOM 1506 CA PHE A 96 4.875 -3.114 10.820 1.00 0.00 C ATOM 1507 C PHE A 96 3.830 -2.000 10.830 1.00 0.00 C ATOM 1508 O PHE A 96 4.148 -0.832 10.943 1.00 0.00 O ATOM 1509 CB PHE A 96 5.109 -3.594 9.380 1.00 0.00 C ATOM 1510 CG PHE A 96 6.461 -4.277 9.267 1.00 0.00 C ATOM 1511 CD1 PHE A 96 6.799 -5.332 10.128 1.00 0.00 C ATOM 1512 CD2 PHE A 96 7.381 -3.849 8.300 1.00 0.00 C ATOM 1513 CE1 PHE A 96 8.048 -5.953 10.021 1.00 0.00 C ATOM 1514 CE2 PHE A 96 8.629 -4.474 8.194 1.00 0.00 C ATOM 1515 CZ PHE A 96 8.962 -5.524 9.055 1.00 0.00 C ATOM 0 H PHE A 96 4.186 -5.106 11.122 1.00 0.00 H new ATOM 0 HA PHE A 96 5.811 -2.736 11.230 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.319 -4.285 9.087 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.063 -2.747 8.695 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.094 -5.665 10.875 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.127 -3.036 7.636 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.306 -6.764 10.685 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.335 -4.145 7.446 1.00 0.00 H new ATOM 0 HZ PHE A 96 9.926 -6.004 8.973 1.00 0.00 H new ATOM 1525 N MET A 97 2.585 -2.360 10.712 1.00 0.00 N ATOM 1526 CA MET A 97 1.504 -1.343 10.711 1.00 0.00 C ATOM 1527 C MET A 97 1.458 -0.655 12.074 1.00 0.00 C ATOM 1528 O MET A 97 1.148 0.513 12.181 1.00 0.00 O ATOM 1529 CB MET A 97 0.165 -2.032 10.431 1.00 0.00 C ATOM 1530 CG MET A 97 -0.947 -0.985 10.310 1.00 0.00 C ATOM 1531 SD MET A 97 -0.660 0.042 8.845 1.00 0.00 S ATOM 1532 CE MET A 97 -0.935 -1.233 7.589 1.00 0.00 C ATOM 0 H MET A 97 2.268 -3.325 10.615 1.00 0.00 H new ATOM 0 HA MET A 97 1.695 -0.598 9.938 1.00 0.00 H new ATOM 0 HB2 MET A 97 0.231 -2.613 9.511 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.068 -2.732 11.234 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.917 -1.477 10.237 1.00 0.00 H new ATOM 0 HG3 MET A 97 -0.972 -0.362 11.204 1.00 0.00 H new ATOM 0 HE1 MET A 97 -1.139 -0.760 6.629 1.00 0.00 H new ATOM 0 HE2 MET A 97 -0.046 -1.858 7.504 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.786 -1.850 7.878 1.00 0.00 H new ATOM 1542 N GLU A 98 1.749 -1.374 13.122 1.00 0.00 N ATOM 1543 CA GLU A 98 1.706 -0.761 14.477 1.00 0.00 C ATOM 1544 C GLU A 98 2.719 0.382 14.571 1.00 0.00 C ATOM 1545 O GLU A 98 2.380 1.494 14.926 1.00 0.00 O ATOM 1546 CB GLU A 98 2.049 -1.824 15.524 1.00 0.00 C ATOM 1547 CG GLU A 98 1.897 -1.229 16.925 1.00 0.00 C ATOM 1548 CD GLU A 98 2.160 -2.313 17.972 1.00 0.00 C ATOM 1549 OE1 GLU A 98 3.319 -2.603 18.218 1.00 0.00 O ATOM 1550 OE2 GLU A 98 1.198 -2.833 18.511 1.00 0.00 O ATOM 0 H GLU A 98 2.014 -2.359 13.098 1.00 0.00 H new ATOM 0 HA GLU A 98 0.706 -0.368 14.658 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.392 -2.686 15.411 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.069 -2.179 15.377 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.595 -0.403 17.058 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.894 -0.822 17.052 1.00 0.00 H new ATOM 1557 N ARG A 99 3.964 0.118 14.267 1.00 0.00 N ATOM 1558 CA ARG A 99 4.992 1.196 14.352 1.00 0.00 C ATOM 1559 C ARG A 99 4.704 2.282 13.313 1.00 0.00 C ATOM 1560 O ARG A 99 4.724 3.464 13.606 1.00 0.00 O ATOM 1561 CB ARG A 99 6.374 0.596 14.080 1.00 0.00 C ATOM 1562 CG ARG A 99 6.797 -0.283 15.259 1.00 0.00 C ATOM 1563 CD ARG A 99 8.241 -0.750 15.053 1.00 0.00 C ATOM 1564 NE ARG A 99 8.318 -1.649 13.862 1.00 0.00 N ATOM 1565 CZ ARG A 99 8.091 -2.931 13.983 1.00 0.00 C ATOM 1566 NH1 ARG A 99 7.798 -3.442 15.148 1.00 0.00 N ATOM 1567 NH2 ARG A 99 8.163 -3.705 12.932 1.00 0.00 N ATOM 0 H ARG A 99 4.311 -0.793 13.965 1.00 0.00 H new ATOM 0 HA ARG A 99 4.964 1.637 15.348 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.351 0.006 13.164 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.103 1.392 13.928 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.713 0.275 16.191 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.133 -1.144 15.342 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.895 0.111 14.913 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.593 -1.276 15.940 1.00 0.00 H new ATOM 0 HE ARG A 99 8.549 -1.260 12.948 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.745 -2.840 15.970 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.622 -4.443 15.236 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.396 -3.308 12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.987 -4.706 13.022 1.00 0.00 H new ATOM 1581 N TYR A 100 4.433 1.887 12.099 1.00 0.00 N ATOM 1582 CA TYR A 100 4.144 2.881 11.030 1.00 0.00 C ATOM 1583 C TYR A 100 2.880 3.660 11.390 1.00 0.00 C ATOM 1584 O TYR A 100 2.819 4.867 11.260 1.00 0.00 O ATOM 1585 CB TYR A 100 3.930 2.141 9.709 1.00 0.00 C ATOM 1586 CG TYR A 100 3.550 3.123 8.629 1.00 0.00 C ATOM 1587 CD1 TYR A 100 4.547 3.827 7.945 1.00 0.00 C ATOM 1588 CD2 TYR A 100 2.203 3.325 8.308 1.00 0.00 C ATOM 1589 CE1 TYR A 100 4.198 4.735 6.939 1.00 0.00 C ATOM 1590 CE2 TYR A 100 1.854 4.235 7.302 1.00 0.00 C ATOM 1591 CZ TYR A 100 2.851 4.940 6.618 1.00 0.00 C ATOM 1592 OH TYR A 100 2.508 5.836 5.626 1.00 0.00 O ATOM 0 H TYR A 100 4.400 0.912 11.801 1.00 0.00 H new ATOM 0 HA TYR A 100 4.979 3.575 10.933 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.840 1.611 9.427 1.00 0.00 H new ATOM 0 HB3 TYR A 100 3.147 1.392 9.824 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.586 3.670 8.193 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.434 2.780 8.835 1.00 0.00 H new ATOM 0 HE1 TYR A 100 4.968 5.278 6.410 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.815 4.393 7.054 1.00 0.00 H new ATOM 0 HH TYR A 100 3.224 5.875 4.958 1.00 0.00 H new ATOM 1602 N GLY A 101 1.867 2.969 11.832 1.00 0.00 N ATOM 1603 CA GLY A 101 0.595 3.643 12.198 1.00 0.00 C ATOM 1604 C GLY A 101 0.822 4.580 13.382 1.00 0.00 C ATOM 1605 O GLY A 101 0.200 5.618 13.493 1.00 0.00 O ATOM 0 H GLY A 101 1.868 1.957 11.956 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.214 4.206 11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.160 2.899 12.452 1.00 0.00 H new ATOM 1609 N ALA A 102 1.701 4.218 14.274 1.00 0.00 N ATOM 1610 CA ALA A 102 1.959 5.083 15.456 1.00 0.00 C ATOM 1611 C ALA A 102 2.501 6.433 14.992 1.00 0.00 C ATOM 1612 O ALA A 102 2.130 7.470 15.505 1.00 0.00 O ATOM 1613 CB ALA A 102 2.991 4.404 16.357 1.00 0.00 C ATOM 0 H ALA A 102 2.251 3.360 14.235 1.00 0.00 H new ATOM 0 HA ALA A 102 1.031 5.236 16.008 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.185 5.033 17.226 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.607 3.438 16.686 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.917 4.256 15.802 1.00 0.00 H new ATOM 1619 N GLU A 103 3.374 6.431 14.022 1.00 0.00 N ATOM 1620 CA GLU A 103 3.934 7.717 13.528 1.00 0.00 C ATOM 1621 C GLU A 103 2.858 8.483 12.754 1.00 0.00 C ATOM 1622 O GLU A 103 2.543 9.614 13.067 1.00 0.00 O ATOM 1623 CB GLU A 103 5.123 7.432 12.606 1.00 0.00 C ATOM 1624 CG GLU A 103 6.261 6.792 13.406 1.00 0.00 C ATOM 1625 CD GLU A 103 6.801 7.795 14.430 1.00 0.00 C ATOM 1626 OE1 GLU A 103 6.575 8.980 14.246 1.00 0.00 O ATOM 1627 OE2 GLU A 103 7.433 7.361 15.379 1.00 0.00 O ATOM 0 H GLU A 103 3.722 5.595 13.552 1.00 0.00 H new ATOM 0 HA GLU A 103 4.265 8.318 14.375 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.817 6.768 11.798 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.467 8.358 12.145 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.902 5.897 13.914 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.060 6.479 12.734 1.00 0.00 H new ATOM 1634 N ASN A 104 2.291 7.876 11.741 1.00 0.00 N ATOM 1635 CA ASN A 104 1.239 8.570 10.938 1.00 0.00 C ATOM 1636 C ASN A 104 0.399 7.538 10.181 1.00 0.00 C ATOM 1637 O ASN A 104 0.201 6.427 10.628 1.00 0.00 O ATOM 1638 CB ASN A 104 1.904 9.486 9.916 1.00 0.00 C ATOM 1639 CG ASN A 104 2.797 10.502 10.629 1.00 0.00 C ATOM 1640 OD1 ASN A 104 3.998 10.510 10.444 1.00 0.00 O ATOM 1641 ND2 ASN A 104 2.255 11.370 11.438 1.00 0.00 N ATOM 0 H ASN A 104 2.512 6.928 11.436 1.00 0.00 H new ATOM 0 HA ASN A 104 0.605 9.147 11.611 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.497 8.896 9.217 1.00 0.00 H new ATOM 0 HB3 ASN A 104 1.144 10.004 9.331 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.839 12.056 11.916 1.00 0.00 H new ATOM 0 HD22 ASN A 104 1.247 11.363 11.593 1.00 0.00 H new