USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=25 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 48 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 66 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 4 MET CE :methyl -120:sc= -0.123 (180deg=-3.02!) USER MOD Single : A 6 LYS NZ :NH3+ 134:sc= -0.886 (180deg=-2.76!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -26:sc= 0.533 USER MOD Single : A 20 HIS : no HD1:sc= -0.0681 K(o=-0.068,f=-0.75) USER MOD Single : A 23 SER OG : rot 115:sc= -1.55 USER MOD Single : A 24 MET CE :methyl 157:sc= -0.108 (180deg=-0.576) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 MET CE :methyl 168:sc=-0.00888 (180deg=-0.179) USER MOD Single : A 36 CYS SG : rot -21:sc= 0.147 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.39 K(o=-0.39,f=-4.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -109:sc= -1.54 (180deg=-3.37!) USER MOD Single : A 64 SER OG : rot -83:sc= 0.37 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -80:sc= 0.912 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.186 F(o=-0.93,f=-0.19) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 143:sc= -0.367 (180deg=-0.793) USER MOD Single : A 95 LYS NZ :NH3+ -136:sc= -0.509 (180deg=-0.878) USER MOD Single : A 99 LYS NZ :NH3+ 166:sc= -0.0456 (180deg=-0.228) USER MOD Single : A 100 THR OG1 : rot -80:sc= 0.806 USER MOD Single : A 102 LYS NZ :NH3+ -142:sc= 0.696 (180deg=0.0508) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 10.440 14.468 -4.147 1.00 0.00 N ATOM 21 CA GLY A 2 11.807 14.522 -3.657 1.00 0.00 C ATOM 22 C GLY A 2 12.271 13.193 -3.087 1.00 0.00 C ATOM 23 O GLY A 2 11.450 12.293 -2.892 1.00 0.00 O ATOM 0 HA2 GLY A 2 12.470 14.817 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.884 15.291 -2.888 1.00 0.00 H new ATOM 27 N PRO A 3 13.589 13.029 -2.804 1.00 0.00 N ATOM 28 CA PRO A 3 14.121 11.790 -2.258 1.00 0.00 C ATOM 29 C PRO A 3 13.935 11.698 -0.744 1.00 0.00 C ATOM 30 O PRO A 3 14.673 12.313 0.032 1.00 0.00 O ATOM 31 CB PRO A 3 15.606 11.826 -2.639 1.00 0.00 C ATOM 32 CG PRO A 3 15.894 13.199 -3.158 1.00 0.00 C ATOM 33 CD PRO A 3 14.654 14.025 -2.994 1.00 0.00 C ATOM 0 HA PRO A 3 13.604 10.915 -2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.231 11.602 -1.774 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.828 11.074 -3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.725 13.646 -2.612 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.188 13.156 -4.207 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.731 14.696 -2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.469 14.646 -3.870 1.00 0.00 H new ATOM 41 N MET A 4 12.931 10.920 -0.348 1.00 0.00 N ATOM 42 CA MET A 4 12.600 10.713 1.061 1.00 0.00 C ATOM 43 C MET A 4 12.879 9.252 1.465 1.00 0.00 C ATOM 44 O MET A 4 12.979 8.394 0.582 1.00 0.00 O ATOM 45 CB MET A 4 11.130 11.117 1.320 1.00 0.00 C ATOM 46 CG MET A 4 10.144 10.706 0.226 1.00 0.00 C ATOM 47 SD MET A 4 9.728 8.953 0.245 1.00 0.00 S ATOM 48 CE MET A 4 8.725 8.852 1.727 1.00 0.00 C ATOM 0 H MET A 4 12.324 10.415 -0.994 1.00 0.00 H new ATOM 0 HA MET A 4 13.232 11.347 1.682 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.808 10.675 2.263 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.083 12.199 1.443 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.229 11.288 0.337 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.568 10.959 -0.746 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.186 8.160 2.432 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.650 9.839 2.184 1.00 0.00 H new ATOM 0 HE3 MET A 4 7.728 8.495 1.468 1.00 0.00 H new ATOM 58 N PRO A 5 13.039 8.937 2.794 1.00 0.00 N ATOM 59 CA PRO A 5 13.332 7.568 3.273 1.00 0.00 C ATOM 60 C PRO A 5 12.408 6.497 2.692 1.00 0.00 C ATOM 61 O PRO A 5 11.254 6.769 2.351 1.00 0.00 O ATOM 62 CB PRO A 5 13.148 7.661 4.797 1.00 0.00 C ATOM 63 CG PRO A 5 12.522 8.987 5.053 1.00 0.00 C ATOM 64 CD PRO A 5 12.979 9.871 3.938 1.00 0.00 C ATOM 0 HA PRO A 5 14.330 7.259 2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.515 6.853 5.164 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.105 7.575 5.312 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.435 8.910 5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.830 9.385 6.020 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.282 10.690 3.757 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.950 10.319 4.147 1.00 0.00 H new ATOM 72 N LYS A 6 12.942 5.277 2.583 1.00 0.00 N ATOM 73 CA LYS A 6 12.207 4.133 2.040 1.00 0.00 C ATOM 74 C LYS A 6 11.100 3.695 2.999 1.00 0.00 C ATOM 75 O LYS A 6 11.043 4.146 4.147 1.00 0.00 O ATOM 76 CB LYS A 6 13.153 2.942 1.784 1.00 0.00 C ATOM 77 CG LYS A 6 14.526 3.285 1.192 1.00 0.00 C ATOM 78 CD LYS A 6 14.475 3.627 -0.293 1.00 0.00 C ATOM 79 CE LYS A 6 14.407 5.127 -0.526 1.00 0.00 C ATOM 80 NZ LYS A 6 14.447 5.470 -1.974 1.00 0.00 N ATOM 0 H LYS A 6 13.896 5.056 2.869 1.00 0.00 H new ATOM 0 HA LYS A 6 11.763 4.448 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.307 2.418 2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.653 2.246 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.948 4.129 1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.199 2.440 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.357 3.222 -0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.606 3.149 -0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.491 5.521 -0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.240 5.611 -0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.712 6.176 -2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.381 5.861 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.276 4.613 -2.539 1.00 0.00 H new ATOM 94 N LEU A 7 10.229 2.804 2.521 1.00 0.00 N ATOM 95 CA LEU A 7 9.126 2.292 3.329 1.00 0.00 C ATOM 96 C LEU A 7 9.249 0.778 3.504 1.00 0.00 C ATOM 97 O LEU A 7 8.856 0.230 4.537 1.00 0.00 O ATOM 98 CB LEU A 7 7.783 2.648 2.672 1.00 0.00 C ATOM 99 CG LEU A 7 6.528 2.398 3.522 1.00 0.00 C ATOM 100 CD1 LEU A 7 6.439 3.393 4.674 1.00 0.00 C ATOM 101 CD2 LEU A 7 5.280 2.473 2.656 1.00 0.00 C ATOM 0 H LEU A 7 10.268 2.423 1.576 1.00 0.00 H new ATOM 0 HA LEU A 7 9.169 2.756 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.805 3.702 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.691 2.077 1.748 1.00 0.00 H new ATOM 0 HG LEU A 7 6.600 1.397 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.541 3.193 5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.318 3.291 5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.394 4.407 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.399 2.294 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.211 3.462 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.335 1.717 1.872 1.00 0.00 H new ATOM 113 N ALA A 8 9.801 0.113 2.483 1.00 0.00 N ATOM 114 CA ALA A 8 9.983 -1.340 2.508 1.00 0.00 C ATOM 115 C ALA A 8 11.194 -1.765 1.679 1.00 0.00 C ATOM 116 O ALA A 8 11.775 -0.955 0.953 1.00 0.00 O ATOM 117 CB ALA A 8 8.728 -2.034 2.001 1.00 0.00 C ATOM 0 H ALA A 8 10.130 0.561 1.628 1.00 0.00 H new ATOM 0 HA ALA A 8 10.164 -1.638 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.875 -3.114 2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.883 -1.769 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.525 -1.717 0.978 1.00 0.00 H new ATOM 123 N ASP A 9 11.563 -3.045 1.795 1.00 0.00 N ATOM 124 CA ASP A 9 12.702 -3.598 1.059 1.00 0.00 C ATOM 125 C ASP A 9 12.232 -4.554 -0.037 1.00 0.00 C ATOM 126 O ASP A 9 12.763 -4.544 -1.151 1.00 0.00 O ATOM 127 CB ASP A 9 13.655 -4.328 2.016 1.00 0.00 C ATOM 128 CG ASP A 9 14.322 -3.405 3.028 1.00 0.00 C ATOM 129 OD1 ASP A 9 14.103 -2.175 2.966 1.00 0.00 O ATOM 130 OD2 ASP A 9 15.075 -3.918 3.883 1.00 0.00 O ATOM 0 H ASP A 9 11.086 -3.719 2.394 1.00 0.00 H new ATOM 0 HA ASP A 9 13.234 -2.770 0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.101 -5.100 2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.425 -4.834 1.434 1.00 0.00 H new ATOM 135 N ARG A 10 11.234 -5.381 0.293 1.00 0.00 N ATOM 136 CA ARG A 10 10.680 -6.351 -0.657 1.00 0.00 C ATOM 137 C ARG A 10 9.153 -6.334 -0.615 1.00 0.00 C ATOM 138 O ARG A 10 8.553 -5.830 0.340 1.00 0.00 O ATOM 139 CB ARG A 10 11.187 -7.766 -0.358 1.00 0.00 C ATOM 140 CG ARG A 10 12.696 -7.921 -0.447 1.00 0.00 C ATOM 141 CD ARG A 10 13.122 -9.339 -0.122 1.00 0.00 C ATOM 142 NE ARG A 10 14.578 -9.479 -0.056 1.00 0.00 N ATOM 143 CZ ARG A 10 15.214 -10.614 0.251 1.00 0.00 C ATOM 144 NH1 ARG A 10 14.535 -11.725 0.522 1.00 0.00 N ATOM 145 NH2 ARG A 10 16.539 -10.635 0.288 1.00 0.00 N ATOM 0 H ARG A 10 10.793 -5.398 1.213 1.00 0.00 H new ATOM 0 HA ARG A 10 11.013 -6.064 -1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.862 -8.052 0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.720 -8.462 -1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.033 -7.658 -1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.177 -7.227 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.687 -9.638 0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.728 -10.017 -0.879 1.00 0.00 H new ATOM 0 HE ARG A 10 15.145 -8.655 -0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.515 -11.718 0.497 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.034 -12.584 0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.068 -9.788 0.083 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.029 -11.498 0.522 1.00 0.00 H new ATOM 159 N LYS A 11 8.537 -6.881 -1.664 1.00 0.00 N ATOM 160 CA LYS A 11 7.083 -6.930 -1.777 1.00 0.00 C ATOM 161 C LYS A 11 6.615 -8.286 -2.310 1.00 0.00 C ATOM 162 O LYS A 11 7.426 -9.098 -2.762 1.00 0.00 O ATOM 163 CB LYS A 11 6.611 -5.806 -2.703 1.00 0.00 C ATOM 164 CG LYS A 11 7.297 -5.816 -4.061 1.00 0.00 C ATOM 165 CD LYS A 11 7.208 -4.468 -4.742 1.00 0.00 C ATOM 166 CE LYS A 11 8.026 -4.442 -6.021 1.00 0.00 C ATOM 167 NZ LYS A 11 7.964 -3.115 -6.695 1.00 0.00 N ATOM 0 H LYS A 11 9.030 -7.299 -2.453 1.00 0.00 H new ATOM 0 HA LYS A 11 6.650 -6.796 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.534 -5.892 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.792 -4.846 -2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.344 -6.093 -3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.839 -6.575 -4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.166 -4.241 -4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.563 -3.692 -4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.064 -4.685 -5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.661 -5.212 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.535 -3.140 -7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.977 -2.894 -6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.336 -2.384 -6.056 1.00 0.00 H new ATOM 181 N LEU A 12 5.301 -8.512 -2.259 1.00 0.00 N ATOM 182 CA LEU A 12 4.705 -9.754 -2.741 1.00 0.00 C ATOM 183 C LEU A 12 3.743 -9.471 -3.887 1.00 0.00 C ATOM 184 O LEU A 12 2.695 -8.859 -3.685 1.00 0.00 O ATOM 185 CB LEU A 12 3.963 -10.482 -1.607 1.00 0.00 C ATOM 186 CG LEU A 12 4.835 -11.009 -0.459 1.00 0.00 C ATOM 187 CD1 LEU A 12 3.959 -11.493 0.687 1.00 0.00 C ATOM 188 CD2 LEU A 12 5.746 -12.136 -0.937 1.00 0.00 C ATOM 0 H LEU A 12 4.627 -7.844 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 12 5.509 -10.396 -3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.221 -9.801 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.418 -11.322 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 12 5.462 -10.191 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.589 -11.864 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.349 -10.667 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.310 -12.295 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.353 -12.491 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.139 -12.957 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.397 -11.766 -1.729 1.00 0.00 H new ATOM 200 N CYS A 13 4.115 -9.917 -5.087 1.00 0.00 N ATOM 201 CA CYS A 13 3.297 -9.720 -6.282 1.00 0.00 C ATOM 202 C CYS A 13 2.677 -11.038 -6.738 1.00 0.00 C ATOM 203 O CYS A 13 2.937 -12.094 -6.152 1.00 0.00 O ATOM 204 CB CYS A 13 4.148 -9.149 -7.419 1.00 0.00 C ATOM 205 SG CYS A 13 4.981 -7.577 -7.038 1.00 0.00 S ATOM 0 H CYS A 13 4.985 -10.421 -5.257 1.00 0.00 H new ATOM 0 HA CYS A 13 2.501 -9.019 -6.031 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.903 -9.886 -7.694 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.512 -9.004 -8.292 1.00 0.00 H new ATOM 210 N ALA A 14 1.875 -10.968 -7.804 1.00 0.00 N ATOM 211 CA ALA A 14 1.231 -12.150 -8.369 1.00 0.00 C ATOM 212 C ALA A 14 2.139 -12.797 -9.410 1.00 0.00 C ATOM 213 O ALA A 14 2.012 -13.987 -9.709 1.00 0.00 O ATOM 214 CB ALA A 14 -0.112 -11.782 -8.983 1.00 0.00 C ATOM 0 H ALA A 14 1.657 -10.100 -8.293 1.00 0.00 H new ATOM 0 HA ALA A 14 1.055 -12.869 -7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.578 -12.675 -9.400 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.760 -11.359 -8.215 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.039 -11.048 -9.775 1.00 0.00 H new ATOM 220 N ASP A 15 3.064 -11.994 -9.951 1.00 0.00 N ATOM 221 CA ASP A 15 4.017 -12.463 -10.955 1.00 0.00 C ATOM 222 C ASP A 15 5.354 -11.738 -10.810 1.00 0.00 C ATOM 223 O ASP A 15 5.479 -10.795 -10.025 1.00 0.00 O ATOM 224 CB ASP A 15 3.458 -12.273 -12.372 1.00 0.00 C ATOM 225 CG ASP A 15 3.198 -10.819 -12.725 1.00 0.00 C ATOM 226 OD1 ASP A 15 2.482 -10.135 -11.964 1.00 0.00 O ATOM 227 OD2 ASP A 15 3.703 -10.368 -13.771 1.00 0.00 O ATOM 0 H ASP A 15 3.170 -11.010 -9.705 1.00 0.00 H new ATOM 0 HA ASP A 15 4.180 -13.528 -10.791 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.160 -12.694 -13.092 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.529 -12.835 -12.467 1.00 0.00 H new ATOM 232 N GLN A 16 6.346 -12.197 -11.572 1.00 0.00 N ATOM 233 CA GLN A 16 7.696 -11.625 -11.542 1.00 0.00 C ATOM 234 C GLN A 16 7.720 -10.179 -12.065 1.00 0.00 C ATOM 235 O GLN A 16 8.591 -9.392 -11.686 1.00 0.00 O ATOM 236 CB GLN A 16 8.648 -12.511 -12.359 1.00 0.00 C ATOM 237 CG GLN A 16 10.120 -12.149 -12.215 1.00 0.00 C ATOM 238 CD GLN A 16 11.027 -13.046 -13.037 1.00 0.00 C ATOM 239 OE1 GLN A 16 10.923 -13.098 -14.263 1.00 0.00 O ATOM 240 NE2 GLN A 16 11.923 -13.760 -12.365 1.00 0.00 N ATOM 0 H GLN A 16 6.240 -12.973 -12.226 1.00 0.00 H new ATOM 0 HA GLN A 16 8.028 -11.594 -10.504 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.510 -13.549 -12.056 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.372 -12.447 -13.411 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.267 -11.113 -12.521 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.405 -12.215 -11.165 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.975 -13.687 -11.349 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.559 -14.381 -12.865 1.00 0.00 H new ATOM 249 N GLU A 17 6.762 -9.836 -12.930 1.00 0.00 N ATOM 250 CA GLU A 17 6.682 -8.486 -13.497 1.00 0.00 C ATOM 251 C GLU A 17 5.841 -7.557 -12.627 1.00 0.00 C ATOM 252 O GLU A 17 5.833 -6.343 -12.860 1.00 0.00 O ATOM 253 CB GLU A 17 6.080 -8.515 -14.913 1.00 0.00 C ATOM 254 CG GLU A 17 7.052 -8.900 -16.027 1.00 0.00 C ATOM 255 CD GLU A 17 7.404 -10.379 -16.056 1.00 0.00 C ATOM 256 OE1 GLU A 17 8.161 -10.834 -15.174 1.00 0.00 O ATOM 257 OE2 GLU A 17 6.919 -11.083 -16.966 1.00 0.00 O ATOM 0 H GLU A 17 6.033 -10.472 -13.253 1.00 0.00 H new ATOM 0 HA GLU A 17 7.703 -8.106 -13.539 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.247 -9.217 -14.921 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.669 -7.530 -15.136 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.617 -8.621 -16.987 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.968 -8.321 -15.912 1.00 0.00 H new ATOM 264 N CYS A 18 5.113 -8.132 -11.645 1.00 0.00 N ATOM 265 CA CYS A 18 4.229 -7.358 -10.752 1.00 0.00 C ATOM 266 C CYS A 18 3.207 -6.566 -11.578 1.00 0.00 C ATOM 267 O CYS A 18 2.754 -5.488 -11.178 1.00 0.00 O ATOM 268 CB CYS A 18 5.037 -6.414 -9.842 1.00 0.00 C ATOM 269 SG CYS A 18 6.147 -7.260 -8.671 1.00 0.00 S ATOM 0 H CYS A 18 5.122 -9.134 -11.452 1.00 0.00 H new ATOM 0 HA CYS A 18 3.697 -8.060 -10.110 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.630 -5.746 -10.467 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.343 -5.790 -9.279 1.00 0.00 H new ATOM 274 N SER A 19 2.876 -7.117 -12.749 1.00 0.00 N ATOM 275 CA SER A 19 1.940 -6.497 -13.679 1.00 0.00 C ATOM 276 C SER A 19 0.529 -7.078 -13.534 1.00 0.00 C ATOM 277 O SER A 19 -0.396 -6.676 -14.245 1.00 0.00 O ATOM 278 CB SER A 19 2.461 -6.687 -15.104 1.00 0.00 C ATOM 279 OG SER A 19 1.621 -6.058 -16.056 1.00 0.00 O ATOM 0 H SER A 19 3.252 -8.007 -13.076 1.00 0.00 H new ATOM 0 HA SER A 19 1.869 -5.434 -13.451 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.469 -6.278 -15.181 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.531 -7.752 -15.327 1.00 0.00 H new ATOM 0 HG SER A 19 0.712 -5.991 -15.696 1.00 0.00 H new ATOM 285 N HIS A 20 0.372 -8.022 -12.603 1.00 0.00 N ATOM 286 CA HIS A 20 -0.919 -8.663 -12.352 1.00 0.00 C ATOM 287 C HIS A 20 -1.560 -8.159 -11.051 1.00 0.00 C ATOM 288 O HIS A 20 -0.847 -7.862 -10.089 1.00 0.00 O ATOM 289 CB HIS A 20 -0.752 -10.185 -12.267 1.00 0.00 C ATOM 290 CG HIS A 20 -0.884 -10.925 -13.568 1.00 0.00 C ATOM 291 ND1 HIS A 20 -0.883 -12.299 -13.624 1.00 0.00 N ATOM 292 CD2 HIS A 20 -1.053 -10.502 -14.848 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.050 -12.693 -14.868 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.154 -11.623 -15.635 1.00 0.00 N ATOM 0 H HIS A 20 1.128 -8.360 -12.008 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.573 -8.405 -13.185 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.229 -10.402 -11.844 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.493 -10.576 -11.570 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.099 -9.477 -15.184 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.095 -13.718 -15.205 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.287 -11.628 -16.646 1.00 0.00 H new ATOM 303 N PRO A 21 -2.921 -8.073 -10.986 1.00 0.00 N ATOM 304 CA PRO A 21 -3.627 -7.630 -9.792 1.00 0.00 C ATOM 305 C PRO A 21 -3.969 -8.804 -8.871 1.00 0.00 C ATOM 306 O PRO A 21 -4.757 -9.683 -9.236 1.00 0.00 O ATOM 307 CB PRO A 21 -4.899 -6.988 -10.357 1.00 0.00 C ATOM 308 CG PRO A 21 -5.100 -7.585 -11.722 1.00 0.00 C ATOM 309 CD PRO A 21 -3.884 -8.417 -12.049 1.00 0.00 C ATOM 0 HA PRO A 21 -3.034 -6.950 -9.180 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.756 -7.190 -9.714 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.794 -5.905 -10.418 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.999 -8.200 -11.740 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.236 -6.800 -12.466 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.117 -9.482 -12.048 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.490 -8.178 -13.037 1.00 0.00 H new ATOM 317 N ILE A 22 -3.358 -8.820 -7.686 1.00 0.00 N ATOM 318 CA ILE A 22 -3.583 -9.889 -6.714 1.00 0.00 C ATOM 319 C ILE A 22 -5.041 -9.932 -6.271 1.00 0.00 C ATOM 320 O ILE A 22 -5.707 -10.950 -6.440 1.00 0.00 O ATOM 321 CB ILE A 22 -2.681 -9.745 -5.466 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.206 -9.661 -5.881 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.907 -10.918 -4.503 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.280 -9.212 -4.768 1.00 0.00 C ATOM 0 H ILE A 22 -2.702 -8.103 -7.376 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.327 -10.820 -7.220 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.946 -8.823 -4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.883 -10.639 -6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.113 -8.970 -6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.265 -10.801 -3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.950 -10.933 -4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.667 -11.854 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.744 -9.177 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.576 -8.220 -4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.342 -9.915 -3.937 1.00 0.00 H new ATOM 336 N SER A 23 -5.524 -8.832 -5.695 1.00 0.00 N ATOM 337 CA SER A 23 -6.901 -8.772 -5.224 1.00 0.00 C ATOM 338 C SER A 23 -7.565 -7.448 -5.590 1.00 0.00 C ATOM 339 O SER A 23 -6.913 -6.515 -6.060 1.00 0.00 O ATOM 340 CB SER A 23 -6.952 -8.983 -3.706 1.00 0.00 C ATOM 341 OG SER A 23 -8.283 -9.188 -3.269 1.00 0.00 O ATOM 0 H SER A 23 -4.985 -7.979 -5.545 1.00 0.00 H new ATOM 0 HA SER A 23 -7.454 -9.571 -5.719 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.339 -9.842 -3.433 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.528 -8.116 -3.200 1.00 0.00 H new ATOM 0 HG SER A 23 -8.374 -10.097 -2.914 1.00 0.00 H new ATOM 347 N MET A 24 -8.872 -7.393 -5.352 1.00 0.00 N ATOM 348 CA MET A 24 -9.681 -6.219 -5.620 1.00 0.00 C ATOM 349 C MET A 24 -10.271 -5.742 -4.298 1.00 0.00 C ATOM 350 O MET A 24 -11.231 -6.331 -3.792 1.00 0.00 O ATOM 351 CB MET A 24 -10.796 -6.572 -6.608 1.00 0.00 C ATOM 352 CG MET A 24 -11.279 -5.394 -7.435 1.00 0.00 C ATOM 353 SD MET A 24 -12.790 -5.751 -8.356 1.00 0.00 S ATOM 354 CE MET A 24 -13.977 -5.923 -7.024 1.00 0.00 C ATOM 0 H MET A 24 -9.401 -8.174 -4.963 1.00 0.00 H new ATOM 0 HA MET A 24 -9.075 -5.429 -6.062 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.440 -7.353 -7.279 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.640 -6.986 -6.056 1.00 0.00 H new ATOM 0 HG2 MET A 24 -11.454 -4.543 -6.777 1.00 0.00 H new ATOM 0 HG3 MET A 24 -10.495 -5.102 -8.133 1.00 0.00 H new ATOM 0 HE1 MET A 24 -14.981 -5.738 -7.405 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.924 -6.933 -6.617 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.749 -5.203 -6.238 1.00 0.00 H new ATOM 364 N ALA A 25 -9.670 -4.706 -3.720 1.00 0.00 N ATOM 365 CA ALA A 25 -10.120 -4.194 -2.434 1.00 0.00 C ATOM 366 C ALA A 25 -11.009 -2.969 -2.583 1.00 0.00 C ATOM 367 O ALA A 25 -10.790 -2.130 -3.457 1.00 0.00 O ATOM 368 CB ALA A 25 -8.923 -3.877 -1.551 1.00 0.00 C ATOM 0 H ALA A 25 -8.875 -4.208 -4.121 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.721 -4.972 -1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.270 -3.495 -0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.339 -4.783 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.301 -3.126 -2.037 1.00 0.00 H new ATOM 374 N VAL A 26 -12.012 -2.880 -1.710 1.00 0.00 N ATOM 375 CA VAL A 26 -12.955 -1.758 -1.717 1.00 0.00 C ATOM 376 C VAL A 26 -12.560 -0.724 -0.656 1.00 0.00 C ATOM 377 O VAL A 26 -12.161 -1.091 0.451 1.00 0.00 O ATOM 378 CB VAL A 26 -14.407 -2.245 -1.457 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.409 -1.106 -1.612 1.00 0.00 C ATOM 380 CG2 VAL A 26 -14.766 -3.388 -2.397 1.00 0.00 C ATOM 0 H VAL A 26 -12.194 -3.574 -0.985 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.917 -1.296 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.456 -2.604 -0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.416 -1.479 -1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.175 -0.316 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.353 -0.708 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.787 -3.715 -2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.688 -3.048 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.081 -4.220 -2.236 1.00 0.00 H new ATOM 390 N ALA A 27 -12.672 0.566 -1.005 1.00 0.00 N ATOM 391 CA ALA A 27 -12.327 1.652 -0.083 1.00 0.00 C ATOM 392 C ALA A 27 -13.483 1.961 0.866 1.00 0.00 C ATOM 393 O ALA A 27 -14.634 2.086 0.437 1.00 0.00 O ATOM 394 CB ALA A 27 -11.931 2.899 -0.854 1.00 0.00 C ATOM 0 H ALA A 27 -12.999 0.880 -1.919 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.477 1.324 0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.678 3.695 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.067 2.680 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.763 3.219 -1.481 1.00 0.00 H new ATOM 400 N LEU A 28 -13.161 2.070 2.159 1.00 0.00 N ATOM 401 CA LEU A 28 -14.161 2.345 3.194 1.00 0.00 C ATOM 402 C LEU A 28 -14.232 3.826 3.569 1.00 0.00 C ATOM 403 O LEU A 28 -15.228 4.262 4.152 1.00 0.00 O ATOM 404 CB LEU A 28 -13.870 1.516 4.464 1.00 0.00 C ATOM 405 CG LEU A 28 -14.237 0.013 4.438 1.00 0.00 C ATOM 406 CD1 LEU A 28 -15.701 -0.200 4.063 1.00 0.00 C ATOM 407 CD2 LEU A 28 -13.319 -0.766 3.506 1.00 0.00 C ATOM 0 H LEU A 28 -12.210 1.971 2.514 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.125 2.060 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.805 1.598 4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.402 1.977 5.296 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.094 -0.371 5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.923 -1.267 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.340 0.298 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.887 0.217 3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.604 -1.818 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.407 -0.371 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.288 -0.668 3.845 1.00 0.00 H new ATOM 419 N GLN A 29 -13.180 4.594 3.260 1.00 0.00 N ATOM 420 CA GLN A 29 -13.159 6.022 3.604 1.00 0.00 C ATOM 421 C GLN A 29 -12.355 6.855 2.599 1.00 0.00 C ATOM 422 O GLN A 29 -11.848 6.332 1.603 1.00 0.00 O ATOM 423 CB GLN A 29 -12.595 6.217 5.018 1.00 0.00 C ATOM 424 CG GLN A 29 -11.176 5.694 5.197 1.00 0.00 C ATOM 425 CD GLN A 29 -10.590 6.069 6.543 1.00 0.00 C ATOM 426 OE1 GLN A 29 -11.063 5.621 7.588 1.00 0.00 O ATOM 427 NE2 GLN A 29 -9.559 6.905 6.524 1.00 0.00 N ATOM 0 H GLN A 29 -12.345 4.258 2.780 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.189 6.376 3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.613 7.279 5.262 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.249 5.715 5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.175 4.609 5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.542 6.091 4.404 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.200 7.251 5.634 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.126 7.201 7.399 1.00 0.00 H new ATOM 436 N ASP A 30 -12.249 8.160 2.886 1.00 0.00 N ATOM 437 CA ASP A 30 -11.515 9.100 2.039 1.00 0.00 C ATOM 438 C ASP A 30 -10.055 9.199 2.474 1.00 0.00 C ATOM 439 O ASP A 30 -9.741 9.060 3.658 1.00 0.00 O ATOM 440 CB ASP A 30 -12.163 10.488 2.102 1.00 0.00 C ATOM 441 CG ASP A 30 -13.597 10.490 1.607 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.814 10.205 0.412 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.503 10.776 2.418 1.00 0.00 O ATOM 0 H ASP A 30 -12.670 8.589 3.710 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.551 8.729 1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.138 10.849 3.130 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.576 11.185 1.504 1.00 0.00 H new ATOM 448 N TYR A 31 -9.173 9.443 1.504 1.00 0.00 N ATOM 449 CA TYR A 31 -7.742 9.568 1.764 1.00 0.00 C ATOM 450 C TYR A 31 -7.083 10.490 0.739 1.00 0.00 C ATOM 451 O TYR A 31 -7.328 10.364 -0.463 1.00 0.00 O ATOM 452 CB TYR A 31 -7.064 8.194 1.716 1.00 0.00 C ATOM 453 CG TYR A 31 -5.736 8.147 2.449 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.682 8.181 3.840 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.540 8.070 1.750 1.00 0.00 C ATOM 456 CE1 TYR A 31 -4.474 8.142 4.508 1.00 0.00 C ATOM 457 CE2 TYR A 31 -3.329 8.030 2.412 1.00 0.00 C ATOM 458 CZ TYR A 31 -3.300 8.067 3.790 1.00 0.00 C ATOM 459 OH TYR A 31 -2.095 8.029 4.451 1.00 0.00 O ATOM 0 H TYR A 31 -9.430 9.559 0.524 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.621 9.996 2.759 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.735 7.452 2.148 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.905 7.912 0.675 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.600 8.239 4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.557 8.041 0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.449 8.170 5.587 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.407 7.970 1.852 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.214 7.597 5.323 1.00 0.00 H new ATOM 469 N MET A 32 -6.230 11.395 1.222 1.00 0.00 N ATOM 470 CA MET A 32 -5.513 12.324 0.366 1.00 0.00 C ATOM 471 C MET A 32 -4.023 11.971 0.354 1.00 0.00 C ATOM 472 O MET A 32 -3.442 11.689 1.405 1.00 0.00 O ATOM 473 CB MET A 32 -5.741 13.755 0.866 1.00 0.00 C ATOM 474 CG MET A 32 -4.955 14.810 0.115 1.00 0.00 C ATOM 475 SD MET A 32 -5.338 14.885 -1.650 1.00 0.00 S ATOM 476 CE MET A 32 -7.033 15.473 -1.622 1.00 0.00 C ATOM 0 H MET A 32 -6.022 11.499 2.215 1.00 0.00 H new ATOM 0 HA MET A 32 -5.885 12.253 -0.656 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.803 13.988 0.792 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.477 13.805 1.922 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.153 15.784 0.562 1.00 0.00 H new ATOM 0 HG3 MET A 32 -3.890 14.613 0.238 1.00 0.00 H new ATOM 0 HE1 MET A 32 -7.332 15.770 -2.627 1.00 0.00 H new ATOM 0 HE2 MET A 32 -7.688 14.677 -1.269 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.110 16.330 -0.953 1.00 0.00 H new ATOM 486 N ALA A 33 -3.421 11.970 -0.840 1.00 0.00 N ATOM 487 CA ALA A 33 -2.005 11.631 -0.997 1.00 0.00 C ATOM 488 C ALA A 33 -1.079 12.795 -0.610 1.00 0.00 C ATOM 489 O ALA A 33 -1.088 13.834 -1.277 1.00 0.00 O ATOM 490 CB ALA A 33 -1.725 11.214 -2.429 1.00 0.00 C ATOM 0 H ALA A 33 -3.895 12.201 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.796 10.803 -0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.669 10.964 -2.535 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.331 10.343 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.973 12.035 -3.102 1.00 0.00 H new ATOM 496 N PRO A 34 -0.253 12.647 0.467 1.00 0.00 N ATOM 497 CA PRO A 34 0.671 13.697 0.899 1.00 0.00 C ATOM 498 C PRO A 34 1.922 13.772 0.017 1.00 0.00 C ATOM 499 O PRO A 34 2.208 14.817 -0.572 1.00 0.00 O ATOM 500 CB PRO A 34 1.052 13.294 2.336 1.00 0.00 C ATOM 501 CG PRO A 34 0.228 12.089 2.658 1.00 0.00 C ATOM 502 CD PRO A 34 -0.141 11.471 1.344 1.00 0.00 C ATOM 0 HA PRO A 34 0.212 14.684 0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.116 13.070 2.409 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.848 14.105 3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.790 11.387 3.274 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.663 12.366 3.222 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.620 10.774 0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.078 10.917 1.404 1.00 0.00 H new ATOM 510 N ASP A 35 2.665 12.658 -0.063 1.00 0.00 N ATOM 511 CA ASP A 35 3.888 12.599 -0.867 1.00 0.00 C ATOM 512 C ASP A 35 3.614 12.114 -2.295 1.00 0.00 C ATOM 513 O ASP A 35 2.515 11.641 -2.610 1.00 0.00 O ATOM 514 CB ASP A 35 4.938 11.714 -0.182 1.00 0.00 C ATOM 515 CG ASP A 35 4.453 10.300 0.065 1.00 0.00 C ATOM 516 OD1 ASP A 35 4.182 9.586 -0.920 1.00 0.00 O ATOM 517 OD2 ASP A 35 4.348 9.907 1.246 1.00 0.00 O ATOM 0 H ASP A 35 2.438 11.789 0.420 1.00 0.00 H new ATOM 0 HA ASP A 35 4.280 13.613 -0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.836 11.681 -0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.221 12.166 0.769 1.00 0.00 H new ATOM 522 N CYS A 36 4.634 12.251 -3.146 1.00 0.00 N ATOM 523 CA CYS A 36 4.561 11.866 -4.558 1.00 0.00 C ATOM 524 C CYS A 36 4.331 10.363 -4.779 1.00 0.00 C ATOM 525 O CYS A 36 3.818 9.974 -5.833 1.00 0.00 O ATOM 526 CB CYS A 36 5.851 12.303 -5.271 1.00 0.00 C ATOM 527 SG CYS A 36 5.906 11.922 -7.057 1.00 0.00 S ATOM 0 H CYS A 36 5.539 12.634 -2.873 1.00 0.00 H new ATOM 0 HA CYS A 36 3.692 12.373 -4.977 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.976 13.378 -5.139 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.699 11.821 -4.785 1.00 0.00 H new ATOM 0 HG CYS A 36 5.059 10.973 -7.324 1.00 0.00 H new ATOM 532 N ARG A 37 4.713 9.513 -3.816 1.00 0.00 N ATOM 533 CA ARG A 37 4.536 8.068 -3.995 1.00 0.00 C ATOM 534 C ARG A 37 3.256 7.532 -3.336 1.00 0.00 C ATOM 535 O ARG A 37 3.096 6.318 -3.192 1.00 0.00 O ATOM 536 CB ARG A 37 5.779 7.284 -3.522 1.00 0.00 C ATOM 537 CG ARG A 37 6.093 7.380 -2.033 1.00 0.00 C ATOM 538 CD ARG A 37 7.244 6.447 -1.661 1.00 0.00 C ATOM 539 NE ARG A 37 7.520 6.403 -0.217 1.00 0.00 N ATOM 540 CZ ARG A 37 6.696 5.884 0.708 1.00 0.00 C ATOM 541 NH1 ARG A 37 5.538 5.330 0.364 1.00 0.00 N ATOM 542 NH2 ARG A 37 7.046 5.910 1.985 1.00 0.00 N ATOM 0 H ARG A 37 5.135 9.791 -2.930 1.00 0.00 H new ATOM 0 HA ARG A 37 4.420 7.907 -5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.643 6.234 -3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.645 7.639 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.354 8.407 -1.777 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.207 7.122 -1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.013 5.440 -2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.144 6.767 -2.185 1.00 0.00 H new ATOM 0 HE ARG A 37 8.404 6.796 0.106 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.262 5.294 -0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.926 4.941 1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.937 6.323 2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.425 5.517 2.692 1.00 0.00 H new ATOM 556 N PHE A 38 2.333 8.429 -2.963 1.00 0.00 N ATOM 557 CA PHE A 38 1.069 8.002 -2.352 1.00 0.00 C ATOM 558 C PHE A 38 -0.109 8.225 -3.302 1.00 0.00 C ATOM 559 O PHE A 38 0.004 8.971 -4.278 1.00 0.00 O ATOM 560 CB PHE A 38 0.837 8.725 -1.019 1.00 0.00 C ATOM 561 CG PHE A 38 1.129 7.882 0.204 1.00 0.00 C ATOM 562 CD1 PHE A 38 2.367 7.275 0.390 1.00 0.00 C ATOM 563 CD2 PHE A 38 0.155 7.699 1.170 1.00 0.00 C ATOM 564 CE1 PHE A 38 2.619 6.509 1.512 1.00 0.00 C ATOM 565 CE2 PHE A 38 0.402 6.933 2.293 1.00 0.00 C ATOM 566 CZ PHE A 38 1.635 6.338 2.464 1.00 0.00 C ATOM 0 H PHE A 38 2.435 9.438 -3.071 1.00 0.00 H new ATOM 0 HA PHE A 38 1.140 6.933 -2.154 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.462 9.617 -0.989 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.199 9.060 -0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.141 7.404 -0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.813 8.162 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.585 6.045 1.644 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.370 6.800 3.037 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.830 5.739 3.342 1.00 0.00 H new ATOM 576 N LEU A 39 -1.233 7.554 -3.018 1.00 0.00 N ATOM 577 CA LEU A 39 -2.439 7.653 -3.851 1.00 0.00 C ATOM 578 C LEU A 39 -3.603 8.321 -3.120 1.00 0.00 C ATOM 579 O LEU A 39 -3.791 8.125 -1.917 1.00 0.00 O ATOM 580 CB LEU A 39 -2.885 6.257 -4.302 1.00 0.00 C ATOM 581 CG LEU A 39 -2.065 5.623 -5.428 1.00 0.00 C ATOM 582 CD1 LEU A 39 -2.300 4.122 -5.466 1.00 0.00 C ATOM 583 CD2 LEU A 39 -2.435 6.238 -6.770 1.00 0.00 C ATOM 0 H LEU A 39 -1.332 6.934 -2.214 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.174 8.271 -4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.856 5.592 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.924 6.316 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.010 5.814 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.711 3.682 -6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.000 3.683 -4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.358 3.924 -5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.842 5.775 -7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.494 6.071 -6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.235 7.309 -6.747 1.00 0.00 H new ATOM 595 N THR A 40 -4.403 9.079 -3.880 1.00 0.00 N ATOM 596 CA THR A 40 -5.585 9.751 -3.343 1.00 0.00 C ATOM 597 C THR A 40 -6.809 8.886 -3.650 1.00 0.00 C ATOM 598 O THR A 40 -7.172 8.706 -4.815 1.00 0.00 O ATOM 599 CB THR A 40 -5.741 11.154 -3.951 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.553 11.905 -3.780 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.869 11.963 -3.341 1.00 0.00 C ATOM 0 H THR A 40 -4.249 9.241 -4.875 1.00 0.00 H new ATOM 0 HA THR A 40 -5.481 9.877 -2.265 1.00 0.00 H new ATOM 0 HB THR A 40 -5.966 10.981 -5.003 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.669 12.795 -4.174 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.917 12.940 -3.821 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.814 11.440 -3.489 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.689 12.091 -2.274 1.00 0.00 H new ATOM 609 N ILE A 41 -7.410 8.323 -2.603 1.00 0.00 N ATOM 610 CA ILE A 41 -8.564 7.435 -2.758 1.00 0.00 C ATOM 611 C ILE A 41 -9.831 8.047 -2.155 1.00 0.00 C ATOM 612 O ILE A 41 -9.768 8.767 -1.167 1.00 0.00 O ATOM 613 CB ILE A 41 -8.277 6.057 -2.094 1.00 0.00 C ATOM 614 CG1 ILE A 41 -6.957 5.478 -2.632 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.425 5.079 -2.350 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.459 4.252 -1.889 1.00 0.00 C ATOM 0 H ILE A 41 -7.117 8.466 -1.636 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.731 7.296 -3.826 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.189 6.206 -1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.089 5.222 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.190 6.251 -2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.201 4.123 -1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.347 5.484 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.546 4.932 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.525 3.911 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.291 4.504 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.203 3.459 -1.956 1.00 0.00 H new ATOM 628 N HIS A 42 -10.980 7.732 -2.759 1.00 0.00 N ATOM 629 CA HIS A 42 -12.272 8.221 -2.285 1.00 0.00 C ATOM 630 C HIS A 42 -13.099 7.061 -1.739 1.00 0.00 C ATOM 631 O HIS A 42 -12.890 5.906 -2.123 1.00 0.00 O ATOM 632 CB HIS A 42 -13.042 8.932 -3.411 1.00 0.00 C ATOM 633 CG HIS A 42 -12.473 10.263 -3.844 1.00 0.00 C ATOM 634 ND1 HIS A 42 -13.008 10.993 -4.886 1.00 0.00 N ATOM 635 CD2 HIS A 42 -11.431 11.001 -3.374 1.00 0.00 C ATOM 636 CE1 HIS A 42 -12.323 12.113 -5.038 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.363 12.142 -4.133 1.00 0.00 N ATOM 0 H HIS A 42 -11.038 7.135 -3.584 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.092 8.943 -1.488 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.077 8.272 -4.278 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.071 9.085 -3.085 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -10.778 10.737 -2.555 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -12.516 12.876 -5.778 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.681 12.891 -4.017 1.00 0.00 H new ATOM 646 N ARG A 43 -14.025 7.379 -0.835 1.00 0.00 N ATOM 647 CA ARG A 43 -14.888 6.378 -0.209 1.00 0.00 C ATOM 648 C ARG A 43 -15.808 5.708 -1.236 1.00 0.00 C ATOM 649 O ARG A 43 -16.657 6.367 -1.844 1.00 0.00 O ATOM 650 CB ARG A 43 -15.721 7.041 0.898 1.00 0.00 C ATOM 651 CG ARG A 43 -16.540 6.067 1.732 1.00 0.00 C ATOM 652 CD ARG A 43 -17.372 6.791 2.782 1.00 0.00 C ATOM 653 NE ARG A 43 -18.357 7.693 2.181 1.00 0.00 N ATOM 654 CZ ARG A 43 -19.218 8.442 2.876 1.00 0.00 C ATOM 655 NH1 ARG A 43 -19.231 8.411 4.206 1.00 0.00 N ATOM 656 NH2 ARG A 43 -20.071 9.228 2.234 1.00 0.00 N ATOM 0 H ARG A 43 -14.198 8.333 -0.517 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.256 5.601 0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.053 7.594 1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.394 7.768 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.197 5.491 1.080 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.874 5.356 2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.885 6.059 3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.712 7.360 3.437 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.388 7.753 1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.578 7.810 4.709 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.894 8.988 4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -20.068 9.259 1.214 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.730 9.802 2.760 1.00 0.00 H new ATOM 670 N GLY A 44 -15.638 4.391 -1.406 1.00 0.00 N ATOM 671 CA GLY A 44 -16.468 3.644 -2.340 1.00 0.00 C ATOM 672 C GLY A 44 -15.785 3.318 -3.660 1.00 0.00 C ATOM 673 O GLY A 44 -16.381 2.646 -4.506 1.00 0.00 O ATOM 0 H GLY A 44 -14.941 3.833 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.781 2.713 -1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.372 4.218 -2.544 1.00 0.00 H new ATOM 677 N GLN A 45 -14.545 3.785 -3.847 1.00 0.00 N ATOM 678 CA GLN A 45 -13.815 3.519 -5.091 1.00 0.00 C ATOM 679 C GLN A 45 -13.199 2.124 -5.094 1.00 0.00 C ATOM 680 O GLN A 45 -12.937 1.541 -4.037 1.00 0.00 O ATOM 681 CB GLN A 45 -12.726 4.568 -5.333 1.00 0.00 C ATOM 682 CG GLN A 45 -13.270 5.943 -5.689 1.00 0.00 C ATOM 683 CD GLN A 45 -12.210 6.858 -6.275 1.00 0.00 C ATOM 684 OE1 GLN A 45 -11.183 7.121 -5.652 1.00 0.00 O ATOM 685 NE2 GLN A 45 -12.457 7.346 -7.484 1.00 0.00 N ATOM 0 H GLN A 45 -14.032 4.341 -3.163 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.542 3.576 -5.901 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.109 4.652 -4.438 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.076 4.225 -6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.085 5.833 -6.404 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.690 6.406 -4.796 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.322 7.102 -7.966 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.781 7.965 -7.932 1.00 0.00 H new ATOM 694 N VAL A 46 -12.974 1.600 -6.303 1.00 0.00 N ATOM 695 CA VAL A 46 -12.390 0.273 -6.489 1.00 0.00 C ATOM 696 C VAL A 46 -10.880 0.389 -6.688 1.00 0.00 C ATOM 697 O VAL A 46 -10.421 1.006 -7.654 1.00 0.00 O ATOM 698 CB VAL A 46 -13.004 -0.454 -7.711 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.686 -1.939 -7.674 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.509 -0.228 -7.791 1.00 0.00 C ATOM 0 H VAL A 46 -13.191 2.083 -7.175 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.608 -0.309 -5.593 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.554 -0.030 -8.608 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.128 -2.427 -8.542 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.605 -2.080 -7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.096 -2.376 -6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.910 -0.751 -8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.983 -0.610 -6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.712 0.839 -7.884 1.00 0.00 H new ATOM 710 N VAL A 47 -10.115 -0.197 -5.766 1.00 0.00 N ATOM 711 CA VAL A 47 -8.655 -0.149 -5.833 1.00 0.00 C ATOM 712 C VAL A 47 -8.068 -1.544 -6.049 1.00 0.00 C ATOM 713 O VAL A 47 -8.326 -2.465 -5.269 1.00 0.00 O ATOM 714 CB VAL A 47 -8.045 0.475 -4.553 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.549 0.702 -4.715 1.00 0.00 C ATOM 716 CG2 VAL A 47 -8.742 1.781 -4.197 1.00 0.00 C ATOM 0 H VAL A 47 -10.483 -0.710 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.398 0.482 -6.684 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.199 -0.231 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.147 1.141 -3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.055 -0.250 -4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.372 1.378 -5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.295 2.198 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.630 2.489 -5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.801 1.592 -4.023 1.00 0.00 H new ATOM 726 N TYR A 48 -7.270 -1.682 -7.110 1.00 0.00 N ATOM 727 CA TYR A 48 -6.628 -2.953 -7.440 1.00 0.00 C ATOM 728 C TYR A 48 -5.249 -3.039 -6.789 1.00 0.00 C ATOM 729 O TYR A 48 -4.385 -2.194 -7.037 1.00 0.00 O ATOM 730 CB TYR A 48 -6.487 -3.125 -8.966 1.00 0.00 C ATOM 731 CG TYR A 48 -7.766 -3.477 -9.723 1.00 0.00 C ATOM 732 CD1 TYR A 48 -8.996 -2.883 -9.430 1.00 0.00 C ATOM 733 CD2 TYR A 48 -7.728 -4.407 -10.755 1.00 0.00 C ATOM 734 CE1 TYR A 48 -10.134 -3.210 -10.139 1.00 0.00 C ATOM 735 CE2 TYR A 48 -8.865 -4.737 -11.467 1.00 0.00 C ATOM 736 CZ TYR A 48 -10.063 -4.138 -11.155 1.00 0.00 C ATOM 737 OH TYR A 48 -11.197 -4.465 -11.863 1.00 0.00 O ATOM 0 H TYR A 48 -7.053 -0.924 -7.757 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.261 -3.753 -7.055 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.087 -2.200 -9.380 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.750 -3.905 -9.157 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.057 -2.155 -8.635 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.791 -4.881 -11.005 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.076 -2.740 -9.898 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.813 -5.462 -12.265 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.976 -5.133 -12.545 1.00 0.00 H new ATOM 747 N VAL A 49 -5.053 -4.064 -5.961 1.00 0.00 N ATOM 748 CA VAL A 49 -3.780 -4.274 -5.272 1.00 0.00 C ATOM 749 C VAL A 49 -2.845 -5.111 -6.142 1.00 0.00 C ATOM 750 O VAL A 49 -3.196 -6.221 -6.542 1.00 0.00 O ATOM 751 CB VAL A 49 -3.982 -4.976 -3.904 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.674 -5.041 -3.122 1.00 0.00 C ATOM 753 CG2 VAL A 49 -5.057 -4.272 -3.087 1.00 0.00 C ATOM 0 H VAL A 49 -5.763 -4.765 -5.750 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.337 -3.295 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.312 -5.996 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.845 -5.538 -2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.935 -5.601 -3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.306 -4.031 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.181 -4.782 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.761 -3.238 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.000 -4.291 -3.633 1.00 0.00 H new ATOM 763 N PHE A 50 -1.662 -4.568 -6.439 1.00 0.00 N ATOM 764 CA PHE A 50 -0.681 -5.263 -7.273 1.00 0.00 C ATOM 765 C PHE A 50 0.433 -5.896 -6.441 1.00 0.00 C ATOM 766 O PHE A 50 1.047 -6.874 -6.873 1.00 0.00 O ATOM 767 CB PHE A 50 -0.075 -4.306 -8.312 1.00 0.00 C ATOM 768 CG PHE A 50 -0.962 -4.043 -9.507 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.132 -3.304 -9.388 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.620 -4.545 -10.753 1.00 0.00 C ATOM 771 CE1 PHE A 50 -2.938 -3.074 -10.487 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.423 -4.317 -11.854 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.583 -3.581 -11.721 1.00 0.00 C ATOM 0 H PHE A 50 -1.361 -3.649 -6.114 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.212 -6.064 -7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.151 -3.357 -7.826 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.872 -4.719 -8.661 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.415 -2.904 -8.425 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.286 -5.122 -10.865 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.845 -2.498 -10.380 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.143 -4.715 -12.818 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.212 -3.402 -12.581 1.00 0.00 H new ATOM 783 N SER A 51 0.697 -5.337 -5.254 1.00 0.00 N ATOM 784 CA SER A 51 1.750 -5.860 -4.379 1.00 0.00 C ATOM 785 C SER A 51 1.476 -5.563 -2.907 1.00 0.00 C ATOM 786 O SER A 51 0.710 -4.657 -2.578 1.00 0.00 O ATOM 787 CB SER A 51 3.108 -5.265 -4.767 1.00 0.00 C ATOM 788 OG SER A 51 3.087 -3.850 -4.684 1.00 0.00 O ATOM 0 H SER A 51 0.200 -4.529 -4.880 1.00 0.00 H new ATOM 0 HA SER A 51 1.764 -6.942 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.883 -5.660 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.365 -5.569 -5.782 1.00 0.00 H new ATOM 0 HG SER A 51 3.965 -3.495 -4.935 1.00 0.00 H new ATOM 794 N LYS A 52 2.136 -6.328 -2.028 1.00 0.00 N ATOM 795 CA LYS A 52 2.009 -6.149 -0.578 1.00 0.00 C ATOM 796 C LYS A 52 3.407 -5.992 0.020 1.00 0.00 C ATOM 797 O LYS A 52 4.208 -6.928 -0.017 1.00 0.00 O ATOM 798 CB LYS A 52 1.286 -7.338 0.080 1.00 0.00 C ATOM 799 CG LYS A 52 0.005 -7.761 -0.627 1.00 0.00 C ATOM 800 CD LYS A 52 -0.637 -8.960 0.052 1.00 0.00 C ATOM 801 CE LYS A 52 -1.913 -9.386 -0.654 1.00 0.00 C ATOM 802 NZ LYS A 52 -2.548 -10.560 0.005 1.00 0.00 N ATOM 0 H LYS A 52 2.767 -7.082 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 52 1.411 -5.258 -0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.967 -8.189 0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.049 -7.078 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.698 -6.928 -0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.225 -8.005 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.067 -9.792 0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.860 -8.715 1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.616 -8.553 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.689 -9.630 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.415 -10.819 -0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.887 -11.363 -0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.786 -10.320 0.989 1.00 0.00 H new ATOM 816 N LEU A 53 3.706 -4.798 0.538 1.00 0.00 N ATOM 817 CA LEU A 53 5.028 -4.512 1.106 1.00 0.00 C ATOM 818 C LEU A 53 5.275 -5.263 2.415 1.00 0.00 C ATOM 819 O LEU A 53 4.333 -5.603 3.132 1.00 0.00 O ATOM 820 CB LEU A 53 5.189 -3.001 1.324 1.00 0.00 C ATOM 821 CG LEU A 53 4.964 -2.124 0.080 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.958 -0.653 0.463 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.022 -2.393 -0.988 1.00 0.00 C ATOM 0 H LEU A 53 3.053 -4.015 0.576 1.00 0.00 H new ATOM 0 HA LEU A 53 5.772 -4.862 0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.490 -2.687 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.193 -2.811 1.704 1.00 0.00 H new ATOM 0 HG LEU A 53 3.992 -2.382 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.798 -0.046 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.157 -0.467 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.915 -0.390 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.835 -1.758 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.010 -2.174 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.977 -3.440 -1.289 1.00 0.00 H new ATOM 835 N LYS A 54 6.560 -5.519 2.706 1.00 0.00 N ATOM 836 CA LYS A 54 6.971 -6.230 3.926 1.00 0.00 C ATOM 837 C LYS A 54 8.129 -5.501 4.607 1.00 0.00 C ATOM 838 O LYS A 54 8.890 -4.787 3.949 1.00 0.00 O ATOM 839 CB LYS A 54 7.416 -7.664 3.608 1.00 0.00 C ATOM 840 CG LYS A 54 6.375 -8.509 2.891 1.00 0.00 C ATOM 841 CD LYS A 54 6.818 -9.965 2.768 1.00 0.00 C ATOM 842 CE LYS A 54 8.031 -10.140 1.854 1.00 0.00 C ATOM 843 NZ LYS A 54 7.780 -9.633 0.476 1.00 0.00 N ATOM 0 H LYS A 54 7.338 -5.241 2.107 1.00 0.00 H new ATOM 0 HA LYS A 54 6.108 -6.259 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.316 -7.623 2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.688 -8.160 4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.431 -8.460 3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.194 -8.098 1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.056 -10.352 3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.990 -10.561 2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.884 -9.614 2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.298 -11.196 1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.707 -10.436 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.892 -9.092 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.565 -9.017 0.184 1.00 0.00 H new ATOM 857 N GLY A 55 8.262 -5.700 5.923 1.00 0.00 N ATOM 858 CA GLY A 55 9.338 -5.070 6.680 1.00 0.00 C ATOM 859 C GLY A 55 9.081 -3.601 6.962 1.00 0.00 C ATOM 860 O GLY A 55 9.113 -2.786 6.039 1.00 0.00 O ATOM 0 H GLY A 55 7.641 -6.288 6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.469 -5.598 7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.272 -5.171 6.127 1.00 0.00 H new ATOM 864 N ARG A 56 8.833 -3.288 8.252 1.00 0.00 N ATOM 865 CA ARG A 56 8.554 -1.924 8.749 1.00 0.00 C ATOM 866 C ARG A 56 7.175 -1.435 8.306 1.00 0.00 C ATOM 867 O ARG A 56 6.289 -1.226 9.138 1.00 0.00 O ATOM 868 CB ARG A 56 9.649 -0.934 8.333 1.00 0.00 C ATOM 869 CG ARG A 56 10.998 -1.245 8.958 1.00 0.00 C ATOM 870 CD ARG A 56 12.120 -0.413 8.360 1.00 0.00 C ATOM 871 NE ARG A 56 12.043 1.008 8.730 1.00 0.00 N ATOM 872 CZ ARG A 56 11.449 1.960 7.998 1.00 0.00 C ATOM 873 NH1 ARG A 56 10.909 1.677 6.816 1.00 0.00 N ATOM 874 NH2 ARG A 56 11.409 3.206 8.449 1.00 0.00 N ATOM 0 H ARG A 56 8.821 -3.991 8.991 1.00 0.00 H new ATOM 0 HA ARG A 56 8.553 -1.976 9.838 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.747 -0.944 7.247 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.347 0.074 8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.948 -1.064 10.032 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.222 -2.303 8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.078 -0.816 8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.091 -0.502 7.274 1.00 0.00 H new ATOM 0 HE ARG A 56 12.474 1.290 9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.943 0.724 6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.460 2.413 6.271 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.829 3.436 9.349 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.958 3.934 7.896 1.00 0.00 H new ATOM 888 N GLY A 57 7.001 -1.274 6.998 1.00 0.00 N ATOM 889 CA GLY A 57 5.732 -0.833 6.449 1.00 0.00 C ATOM 890 C GLY A 57 4.967 -1.978 5.818 1.00 0.00 C ATOM 891 O GLY A 57 4.431 -1.843 4.715 1.00 0.00 O ATOM 0 H GLY A 57 7.726 -1.444 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.130 -0.384 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.908 -0.058 5.703 1.00 0.00 H new ATOM 895 N ARG A 58 4.926 -3.112 6.528 1.00 0.00 N ATOM 896 CA ARG A 58 4.235 -4.311 6.049 1.00 0.00 C ATOM 897 C ARG A 58 2.715 -4.129 6.034 1.00 0.00 C ATOM 898 O ARG A 58 1.992 -4.946 5.458 1.00 0.00 O ATOM 899 CB ARG A 58 4.621 -5.532 6.892 1.00 0.00 C ATOM 900 CG ARG A 58 4.352 -5.383 8.373 1.00 0.00 C ATOM 901 CD ARG A 58 4.815 -6.613 9.136 1.00 0.00 C ATOM 902 NE ARG A 58 4.586 -6.499 10.582 1.00 0.00 N ATOM 903 CZ ARG A 58 5.273 -5.693 11.405 1.00 0.00 C ATOM 904 NH1 ARG A 58 6.274 -4.941 10.953 1.00 0.00 N ATOM 905 NH2 ARG A 58 4.960 -5.651 12.692 1.00 0.00 N ATOM 0 H ARG A 58 5.367 -3.222 7.441 1.00 0.00 H new ATOM 0 HA ARG A 58 4.554 -4.479 5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.075 -6.400 6.522 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.682 -5.737 6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.866 -4.500 8.753 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.286 -5.227 8.539 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.291 -7.490 8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.877 -6.772 8.951 1.00 0.00 H new ATOM 0 HE ARG A 58 3.850 -7.075 10.991 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.530 -4.972 9.966 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.785 -4.334 11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.201 -6.229 13.051 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.478 -5.040 13.323 1.00 0.00 H new ATOM 919 N LEU A 59 2.244 -3.048 6.656 1.00 0.00 N ATOM 920 CA LEU A 59 0.818 -2.744 6.705 1.00 0.00 C ATOM 921 C LEU A 59 0.415 -1.850 5.528 1.00 0.00 C ATOM 922 O LEU A 59 -0.695 -1.311 5.500 1.00 0.00 O ATOM 923 CB LEU A 59 0.465 -2.060 8.035 1.00 0.00 C ATOM 924 CG LEU A 59 0.729 -2.892 9.299 1.00 0.00 C ATOM 925 CD1 LEU A 59 0.641 -2.016 10.539 1.00 0.00 C ATOM 926 CD2 LEU A 59 -0.245 -4.061 9.400 1.00 0.00 C ATOM 0 H LEU A 59 2.834 -2.367 7.134 1.00 0.00 H new ATOM 0 HA LEU A 59 0.265 -3.680 6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.032 -1.132 8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.590 -1.788 8.014 1.00 0.00 H new ATOM 0 HG LEU A 59 1.738 -3.300 9.231 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.830 -2.621 11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.384 -1.221 10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.355 -1.578 10.605 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.035 -4.633 10.304 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.266 -3.681 9.440 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.131 -4.706 8.529 1.00 0.00 H new ATOM 938 N PHE A 60 1.326 -1.698 4.558 1.00 0.00 N ATOM 939 CA PHE A 60 1.069 -0.871 3.381 1.00 0.00 C ATOM 940 C PHE A 60 1.051 -1.712 2.104 1.00 0.00 C ATOM 941 O PHE A 60 1.974 -2.493 1.840 1.00 0.00 O ATOM 942 CB PHE A 60 2.114 0.250 3.257 1.00 0.00 C ATOM 943 CG PHE A 60 2.026 1.309 4.330 1.00 0.00 C ATOM 944 CD1 PHE A 60 2.537 1.087 5.603 1.00 0.00 C ATOM 945 CD2 PHE A 60 1.443 2.536 4.056 1.00 0.00 C ATOM 946 CE1 PHE A 60 2.461 2.063 6.577 1.00 0.00 C ATOM 947 CE2 PHE A 60 1.366 3.517 5.029 1.00 0.00 C ATOM 948 CZ PHE A 60 1.875 3.279 6.290 1.00 0.00 C ATOM 0 H PHE A 60 2.246 -2.138 4.569 1.00 0.00 H new ATOM 0 HA PHE A 60 0.085 -0.420 3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.109 -0.194 3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.003 0.727 2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.000 0.139 5.834 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.044 2.729 3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.860 1.875 7.563 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.908 4.468 4.802 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.815 4.043 7.051 1.00 0.00 H new ATOM 958 N TRP A 61 -0.012 -1.539 1.320 1.00 0.00 N ATOM 959 CA TRP A 61 -0.185 -2.263 0.061 1.00 0.00 C ATOM 960 C TRP A 61 -0.062 -1.318 -1.128 1.00 0.00 C ATOM 961 O TRP A 61 -0.581 -0.202 -1.102 1.00 0.00 O ATOM 962 CB TRP A 61 -1.553 -2.963 0.030 1.00 0.00 C ATOM 963 CG TRP A 61 -1.662 -4.219 0.871 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.688 -4.808 1.637 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.834 -5.036 1.034 1.00 0.00 C ATOM 966 NE1 TRP A 61 -1.176 -5.940 2.238 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.491 -6.097 1.893 1.00 0.00 C ATOM 968 CE3 TRP A 61 -4.140 -4.973 0.534 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.402 -7.084 2.261 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -5.043 -5.954 0.901 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.670 -6.997 1.757 1.00 0.00 C ATOM 0 H TRP A 61 -0.774 -0.897 1.538 1.00 0.00 H new ATOM 0 HA TRP A 61 0.602 -3.014 -0.008 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.311 -2.255 0.365 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.788 -3.217 -1.004 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.319 -4.434 1.750 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.644 -6.564 2.845 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.437 -4.172 -0.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.117 -7.890 2.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -6.053 -5.915 0.521 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.398 -7.748 2.025 1.00 0.00 H new ATOM 982 N GLY A 62 0.625 -1.781 -2.168 1.00 0.00 N ATOM 983 CA GLY A 62 0.811 -0.983 -3.369 1.00 0.00 C ATOM 984 C GLY A 62 -0.112 -1.416 -4.492 1.00 0.00 C ATOM 985 O GLY A 62 -0.617 -2.540 -4.483 1.00 0.00 O ATOM 0 H GLY A 62 1.060 -2.703 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.631 0.067 -3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.846 -1.064 -3.700 1.00 0.00 H new ATOM 989 N GLY A 63 -0.326 -0.519 -5.456 1.00 0.00 N ATOM 990 CA GLY A 63 -1.193 -0.814 -6.586 1.00 0.00 C ATOM 991 C GLY A 63 -1.694 0.441 -7.276 1.00 0.00 C ATOM 992 O GLY A 63 -1.073 1.502 -7.173 1.00 0.00 O ATOM 0 H GLY A 63 0.089 0.412 -5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.651 -1.429 -7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.045 -1.401 -6.243 1.00 0.00 H new ATOM 996 N SER A 64 -2.821 0.315 -7.982 1.00 0.00 N ATOM 997 CA SER A 64 -3.421 1.440 -8.699 1.00 0.00 C ATOM 998 C SER A 64 -4.905 1.559 -8.364 1.00 0.00 C ATOM 999 O SER A 64 -5.527 0.587 -7.935 1.00 0.00 O ATOM 1000 CB SER A 64 -3.237 1.272 -10.209 1.00 0.00 C ATOM 1001 OG SER A 64 -3.892 0.108 -10.679 1.00 0.00 O ATOM 0 H SER A 64 -3.337 -0.560 -8.072 1.00 0.00 H new ATOM 0 HA SER A 64 -2.917 2.353 -8.383 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.631 2.147 -10.725 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.174 1.214 -10.444 1.00 0.00 H new ATOM 0 HG SER A 64 -3.314 -0.671 -10.540 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.461 2.757 -8.557 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.874 3.009 -8.268 1.00 0.00 C ATOM 1009 C VAL A 65 -7.668 3.217 -9.559 1.00 0.00 C ATOM 1010 O VAL A 65 -7.361 4.119 -10.343 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.051 4.257 -7.360 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.511 4.438 -6.954 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -6.168 4.158 -6.126 1.00 0.00 C ATOM 0 H VAL A 65 -4.954 3.568 -8.912 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.254 2.131 -7.745 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.746 5.131 -7.935 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.606 5.319 -6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.124 4.567 -7.846 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.848 3.558 -6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.309 5.043 -5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.437 3.269 -5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.124 4.091 -6.430 1.00 0.00 H new ATOM 1023 N GLN A 66 -8.697 2.389 -9.764 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.541 2.501 -10.954 1.00 0.00 C ATOM 1025 C GLN A 66 -10.586 3.603 -10.766 1.00 0.00 C ATOM 1026 O GLN A 66 -11.252 3.671 -9.730 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.223 1.163 -11.279 1.00 0.00 C ATOM 1028 CG GLN A 66 -11.187 1.242 -12.466 1.00 0.00 C ATOM 1029 CD GLN A 66 -11.725 -0.104 -12.948 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -11.160 -1.209 -12.468 1.00 0.00 O flip ATOM 1031 NE2 GLN A 66 -12.641 -0.145 -13.769 1.00 0.00 N flip ATOM 0 H GLN A 66 -8.963 1.639 -9.125 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.902 2.765 -11.796 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.458 0.416 -11.491 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.769 0.819 -10.400 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.030 1.876 -12.189 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.679 1.732 -13.296 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.053 0.721 -14.117 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.988 -1.045 -14.101 1.00 0.00 H new ATOM 1139 N ALA A 74 -3.575 5.191 -12.599 1.00 0.00 N ATOM 1140 CA ALA A 74 -3.082 3.925 -13.137 1.00 0.00 C ATOM 1141 C ALA A 74 -2.170 4.158 -14.343 1.00 0.00 C ATOM 1142 O ALA A 74 -2.582 3.988 -15.496 1.00 0.00 O ATOM 1143 CB ALA A 74 -4.251 3.015 -13.502 1.00 0.00 C ATOM 0 HA ALA A 74 -2.489 3.432 -12.367 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.870 2.075 -13.902 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.848 2.815 -12.612 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.872 3.503 -14.253 1.00 0.00 H new ATOM 1149 N ALA A 75 -0.926 4.554 -14.061 1.00 0.00 N ATOM 1150 CA ALA A 75 0.063 4.820 -15.105 1.00 0.00 C ATOM 1151 C ALA A 75 1.483 4.600 -14.589 1.00 0.00 C ATOM 1152 O ALA A 75 2.332 4.061 -15.302 1.00 0.00 O ATOM 1153 CB ALA A 75 -0.089 6.240 -15.632 1.00 0.00 C ATOM 0 H ALA A 75 -0.580 4.698 -13.112 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.115 4.119 -15.920 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.654 6.422 -16.408 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.088 6.368 -16.049 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.057 6.948 -14.817 1.00 0.00 H new ATOM 1159 N ARG A 76 1.732 5.025 -13.347 1.00 0.00 N ATOM 1160 CA ARG A 76 3.051 4.883 -12.730 1.00 0.00 C ATOM 1161 C ARG A 76 2.968 4.244 -11.339 1.00 0.00 C ATOM 1162 O ARG A 76 3.972 4.181 -10.621 1.00 0.00 O ATOM 1163 CB ARG A 76 3.774 6.247 -12.679 1.00 0.00 C ATOM 1164 CG ARG A 76 2.893 7.438 -12.287 1.00 0.00 C ATOM 1165 CD ARG A 76 2.703 7.560 -10.780 1.00 0.00 C ATOM 1166 NE ARG A 76 3.967 7.808 -10.083 1.00 0.00 N ATOM 1167 CZ ARG A 76 4.078 7.985 -8.763 1.00 0.00 C ATOM 1168 NH1 ARG A 76 3.005 7.949 -7.976 1.00 0.00 N ATOM 1169 NH2 ARG A 76 5.272 8.199 -8.227 1.00 0.00 N ATOM 0 H ARG A 76 1.036 5.471 -12.750 1.00 0.00 H new ATOM 0 HA ARG A 76 3.636 4.207 -13.353 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.599 6.177 -11.970 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.211 6.445 -13.658 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.340 8.356 -12.668 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.919 7.336 -12.765 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.007 8.372 -10.567 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.252 6.645 -10.397 1.00 0.00 H new ATOM 0 HE ARG A 76 4.819 7.848 -10.642 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.082 7.785 -8.379 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.105 8.086 -6.970 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.100 8.228 -8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.362 8.335 -7.220 1.00 0.00 H new ATOM 1183 N LEU A 77 1.763 3.759 -10.985 1.00 0.00 N ATOM 1184 CA LEU A 77 1.491 3.092 -9.693 1.00 0.00 C ATOM 1185 C LEU A 77 1.724 4.004 -8.479 1.00 0.00 C ATOM 1186 O LEU A 77 2.280 5.098 -8.594 1.00 0.00 O ATOM 1187 CB LEU A 77 2.324 1.803 -9.553 1.00 0.00 C ATOM 1188 CG LEU A 77 1.892 0.639 -10.455 1.00 0.00 C ATOM 1189 CD1 LEU A 77 2.985 -0.416 -10.526 1.00 0.00 C ATOM 1190 CD2 LEU A 77 0.602 0.015 -9.944 1.00 0.00 C ATOM 0 H LEU A 77 0.944 3.818 -11.590 1.00 0.00 H new ATOM 0 HA LEU A 77 0.431 2.840 -9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.366 2.039 -9.767 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.279 1.472 -8.515 1.00 0.00 H new ATOM 0 HG LEU A 77 1.718 1.033 -11.456 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.660 -1.233 -11.170 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.893 0.028 -10.933 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.186 -0.800 -9.526 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.312 -0.808 -10.597 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.755 -0.361 -8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.187 0.767 -9.936 1.00 0.00 H new ATOM 1202 N GLY A 78 1.283 3.526 -7.312 1.00 0.00 N ATOM 1203 CA GLY A 78 1.432 4.273 -6.072 1.00 0.00 C ATOM 1204 C GLY A 78 1.248 3.385 -4.855 1.00 0.00 C ATOM 1205 O GLY A 78 1.092 2.172 -4.996 1.00 0.00 O ATOM 0 H GLY A 78 0.820 2.623 -7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.420 4.733 -6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.703 5.083 -6.045 1.00 0.00 H new ATOM 1209 N TYR A 79 1.269 3.983 -3.659 1.00 0.00 N ATOM 1210 CA TYR A 79 1.105 3.218 -2.419 1.00 0.00 C ATOM 1211 C TYR A 79 -0.062 3.751 -1.588 1.00 0.00 C ATOM 1212 O TYR A 79 -0.435 4.924 -1.701 1.00 0.00 O ATOM 1213 CB TYR A 79 2.400 3.232 -1.590 1.00 0.00 C ATOM 1214 CG TYR A 79 3.633 2.751 -2.343 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.687 1.482 -2.915 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.740 3.576 -2.485 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.806 1.054 -3.603 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.862 3.158 -3.171 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.891 1.896 -3.730 1.00 0.00 C ATOM 1220 OH TYR A 79 7.008 1.476 -4.415 1.00 0.00 O ATOM 0 H TYR A 79 1.397 4.986 -3.524 1.00 0.00 H new ATOM 0 HA TYR A 79 0.882 2.188 -2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.579 4.247 -1.235 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.260 2.606 -0.709 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.839 0.821 -2.819 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.723 4.564 -2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.831 0.066 -4.039 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.713 3.815 -3.270 1.00 0.00 H new ATOM 0 HH TYR A 79 7.680 2.189 -4.413 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.638 2.867 -0.763 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.779 3.212 0.093 1.00 0.00 C ATOM 1232 C PHE A 80 -1.834 2.296 1.332 1.00 0.00 C ATOM 1233 O PHE A 80 -1.403 1.145 1.257 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.098 3.113 -0.713 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.323 1.788 -1.416 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -3.928 0.722 -0.762 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -2.917 1.612 -2.731 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.123 -0.485 -1.404 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.110 0.407 -3.377 1.00 0.00 C ATOM 1240 CZ PHE A 80 -3.713 -0.644 -2.712 1.00 0.00 C ATOM 0 H PHE A 80 -0.329 1.899 -0.671 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.653 4.238 0.438 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.934 3.295 -0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.112 3.909 -1.458 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.250 0.839 0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.444 2.428 -3.256 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.596 -1.304 -0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -2.790 0.286 -4.401 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.863 -1.588 -3.215 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.368 2.777 2.492 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.466 1.958 3.708 1.00 0.00 C ATOM 1252 C PRO A 81 -3.572 0.911 3.590 1.00 0.00 C ATOM 1253 O PRO A 81 -4.690 1.226 3.182 1.00 0.00 O ATOM 1254 CB PRO A 81 -2.802 2.968 4.819 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.677 4.320 4.194 1.00 0.00 C ATOM 1256 CD PRO A 81 -2.916 4.126 2.728 1.00 0.00 C ATOM 0 HA PRO A 81 -1.547 1.404 3.900 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.809 2.806 5.202 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.119 2.863 5.662 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.403 5.014 4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.689 4.743 4.375 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.975 4.183 2.478 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.406 4.882 2.130 1.00 0.00 H new ATOM 1264 N SER A 82 -3.254 -0.336 3.947 1.00 0.00 N ATOM 1265 CA SER A 82 -4.222 -1.436 3.874 1.00 0.00 C ATOM 1266 C SER A 82 -5.388 -1.227 4.847 1.00 0.00 C ATOM 1267 O SER A 82 -6.448 -1.840 4.699 1.00 0.00 O ATOM 1268 CB SER A 82 -3.528 -2.771 4.171 1.00 0.00 C ATOM 1269 OG SER A 82 -3.097 -2.836 5.519 1.00 0.00 O ATOM 0 H SER A 82 -2.333 -0.610 4.290 1.00 0.00 H new ATOM 0 HA SER A 82 -4.627 -1.454 2.862 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.213 -3.594 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.673 -2.895 3.507 1.00 0.00 H new ATOM 0 HG SER A 82 -2.253 -2.348 5.617 1.00 0.00 H new ATOM 1275 N SER A 83 -5.175 -0.357 5.840 1.00 0.00 N ATOM 1276 CA SER A 83 -6.184 -0.056 6.856 1.00 0.00 C ATOM 1277 C SER A 83 -7.418 0.652 6.282 1.00 0.00 C ATOM 1278 O SER A 83 -8.491 0.595 6.888 1.00 0.00 O ATOM 1279 CB SER A 83 -5.568 0.802 7.962 1.00 0.00 C ATOM 1280 OG SER A 83 -5.070 2.023 7.445 1.00 0.00 O ATOM 0 H SER A 83 -4.301 0.155 5.960 1.00 0.00 H new ATOM 0 HA SER A 83 -6.521 -1.011 7.260 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.317 1.006 8.727 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.760 0.252 8.445 1.00 0.00 H new ATOM 0 HG SER A 83 -4.683 2.553 8.173 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.273 1.322 5.130 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.408 2.031 4.528 1.00 0.00 C ATOM 1288 C ILE A 84 -9.119 1.198 3.460 1.00 0.00 C ATOM 1289 O ILE A 84 -10.124 1.640 2.897 1.00 0.00 O ATOM 1290 CB ILE A 84 -8.010 3.399 3.928 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -6.988 3.239 2.799 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.471 4.311 5.025 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.856 4.471 1.940 1.00 0.00 C ATOM 0 H ILE A 84 -6.400 1.387 4.606 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.099 2.205 5.353 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.901 3.856 3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.016 2.998 3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.278 2.396 2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.193 5.273 4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.239 4.462 5.783 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.595 3.851 5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.117 4.293 1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.818 4.701 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.537 5.312 2.556 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.605 -0.005 3.183 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.215 -0.878 2.177 1.00 0.00 C ATOM 1307 C VAL A 85 -9.544 -2.253 2.752 1.00 0.00 C ATOM 1308 O VAL A 85 -9.062 -2.616 3.828 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.321 -1.039 0.920 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -8.196 0.283 0.175 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -6.941 -1.573 1.288 1.00 0.00 C ATOM 0 H VAL A 85 -7.777 -0.392 3.636 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.142 -0.390 1.875 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.800 -1.765 0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.565 0.147 -0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.185 0.620 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.749 1.030 0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.338 -1.675 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.454 -0.880 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.044 -2.546 1.768 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.377 -3.005 2.030 1.00 0.00 N ATOM 1322 CA ARG A 86 -10.783 -4.336 2.468 1.00 0.00 C ATOM 1323 C ARG A 86 -10.743 -5.336 1.311 1.00 0.00 C ATOM 1324 O ARG A 86 -11.532 -5.241 0.364 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.187 -4.277 3.074 1.00 0.00 C ATOM 1326 CG ARG A 86 -12.603 -5.555 3.789 1.00 0.00 C ATOM 1327 CD ARG A 86 -13.972 -5.410 4.436 1.00 0.00 C ATOM 1328 NE ARG A 86 -14.397 -6.629 5.136 1.00 0.00 N ATOM 1329 CZ ARG A 86 -14.768 -7.767 4.532 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -14.814 -7.861 3.205 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -15.106 -8.818 5.268 1.00 0.00 N ATOM 0 H ARG A 86 -10.782 -2.713 1.141 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.079 -4.677 3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.234 -3.446 3.778 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.905 -4.065 2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.621 -6.382 3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.864 -5.805 4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.950 -4.579 5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.707 -5.160 3.671 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.411 -6.608 6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.564 -7.058 2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.099 -8.736 2.765 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.082 -8.757 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.389 -9.687 4.816 1.00 0.00 H new ATOM 1345 N GLU A 87 -9.819 -6.295 1.413 1.00 0.00 N ATOM 1346 CA GLU A 87 -9.641 -7.336 0.420 1.00 0.00 C ATOM 1347 C GLU A 87 -10.787 -8.346 0.503 1.00 0.00 C ATOM 1348 O GLU A 87 -11.201 -8.729 1.601 1.00 0.00 O ATOM 1349 CB GLU A 87 -8.274 -7.989 0.676 1.00 0.00 C ATOM 1350 CG GLU A 87 -7.979 -9.236 -0.125 1.00 0.00 C ATOM 1351 CD GLU A 87 -8.482 -10.514 0.527 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -8.044 -10.818 1.657 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -9.312 -11.211 -0.095 1.00 0.00 O ATOM 0 H GLU A 87 -9.171 -6.364 2.198 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.661 -6.927 -0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.497 -7.254 0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.203 -8.236 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.432 -9.139 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.902 -9.315 -0.275 1.00 0.00 H new ATOM 1360 N ASP A 88 -11.303 -8.763 -0.659 1.00 0.00 N ATOM 1361 CA ASP A 88 -12.409 -9.718 -0.704 1.00 0.00 C ATOM 1362 C ASP A 88 -12.343 -10.624 -1.936 1.00 0.00 C ATOM 1363 O ASP A 88 -12.612 -11.824 -1.837 1.00 0.00 O ATOM 1364 CB ASP A 88 -13.749 -8.971 -0.678 1.00 0.00 C ATOM 1365 CG ASP A 88 -14.945 -9.906 -0.620 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -15.057 -10.667 0.364 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -15.768 -9.874 -1.558 1.00 0.00 O ATOM 0 H ASP A 88 -10.973 -8.455 -1.574 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.323 -10.355 0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.772 -8.306 0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.827 -8.344 -1.566 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.013 -10.048 -3.097 1.00 0.00 N ATOM 1373 CA GLN A 89 -11.954 -10.826 -4.343 1.00 0.00 C ATOM 1374 C GLN A 89 -10.541 -10.894 -4.935 1.00 0.00 C ATOM 1375 O GLN A 89 -10.038 -9.922 -5.491 1.00 0.00 O ATOM 1376 CB GLN A 89 -12.963 -10.250 -5.350 1.00 0.00 C ATOM 1377 CG GLN A 89 -12.881 -10.822 -6.766 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.861 -12.339 -6.822 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -11.808 -12.873 -7.427 1.00 0.00 O flip ATOM 1380 NE2 GLN A 89 -13.772 -13.011 -6.339 1.00 0.00 N flip ATOM 0 H GLN A 89 -11.785 -9.059 -3.202 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.224 -11.856 -4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -13.969 -10.419 -4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.820 -9.171 -5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.732 -10.459 -7.343 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.982 -10.439 -7.249 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.560 -12.550 -5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.739 -14.029 -6.394 1.00 0.00 H new ATOM 1389 N THR A 90 -9.929 -12.079 -4.831 1.00 0.00 N ATOM 1390 CA THR A 90 -8.586 -12.323 -5.371 1.00 0.00 C ATOM 1391 C THR A 90 -8.678 -12.620 -6.869 1.00 0.00 C ATOM 1392 O THR A 90 -9.246 -13.634 -7.276 1.00 0.00 O ATOM 1393 CB THR A 90 -7.916 -13.493 -4.630 1.00 0.00 C ATOM 1394 OG1 THR A 90 -7.916 -13.263 -3.232 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.476 -13.748 -5.045 1.00 0.00 C ATOM 0 H THR A 90 -10.346 -12.890 -4.374 1.00 0.00 H new ATOM 0 HA THR A 90 -7.976 -11.432 -5.224 1.00 0.00 H new ATOM 0 HB THR A 90 -8.509 -14.367 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.488 -14.018 -2.776 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.077 -14.588 -4.477 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.440 -13.980 -6.109 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.877 -12.859 -4.847 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.129 -11.716 -7.680 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.166 -11.847 -9.138 1.00 0.00 C ATOM 1405 C LEU A 91 -7.005 -12.694 -9.656 1.00 0.00 C ATOM 1406 O LEU A 91 -7.009 -13.111 -10.817 1.00 0.00 O ATOM 1407 CB LEU A 91 -8.093 -10.455 -9.782 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.992 -9.376 -9.158 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.572 -7.997 -9.634 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.458 -9.627 -9.475 1.00 0.00 C ATOM 0 H LEU A 91 -7.650 -10.879 -7.349 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.100 -12.342 -9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.060 -10.110 -9.737 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.352 -10.550 -10.836 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.873 -9.424 -8.076 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.218 -7.244 -9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.539 -7.810 -9.342 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.657 -7.945 -10.719 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.068 -8.847 -9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.604 -9.617 -10.555 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.755 -10.598 -9.078 1.00 0.00 H new ATOM 1422 N LYS A 92 -6.025 -12.941 -8.782 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.839 -13.742 -9.122 1.00 0.00 C ATOM 1424 C LYS A 92 -4.003 -14.031 -7.858 1.00 0.00 C ATOM 1425 O LYS A 92 -3.722 -13.108 -7.094 1.00 0.00 O ATOM 1426 CB LYS A 92 -3.968 -13.019 -10.173 1.00 0.00 C ATOM 1427 CG LYS A 92 -2.747 -13.820 -10.635 1.00 0.00 C ATOM 1428 CD LYS A 92 -2.861 -14.316 -12.079 1.00 0.00 C ATOM 1429 CE LYS A 92 -3.901 -15.420 -12.259 1.00 0.00 C ATOM 1430 NZ LYS A 92 -5.285 -14.886 -12.383 1.00 0.00 N ATOM 0 H LYS A 92 -6.028 -12.595 -7.823 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.182 -14.686 -9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.585 -12.785 -11.041 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.630 -12.070 -9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.856 -13.199 -10.540 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.611 -14.676 -9.974 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.117 -13.476 -12.725 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.889 -14.685 -12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.658 -16.001 -13.149 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.853 -16.102 -11.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.817 -15.457 -13.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.758 -14.928 -11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.248 -13.899 -12.708 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.602 -15.317 -7.612 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.807 -15.686 -6.430 1.00 0.00 C ATOM 1446 C PRO A 93 -1.529 -14.856 -6.283 1.00 0.00 C ATOM 1447 O PRO A 93 -0.752 -14.724 -7.233 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.420 -17.151 -6.653 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.170 -17.642 -7.846 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.912 -16.487 -8.458 1.00 0.00 C ATOM 0 HA PRO A 93 -3.388 -15.512 -5.524 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.346 -17.243 -6.812 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.664 -17.749 -5.775 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.483 -18.077 -8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.867 -18.428 -7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.595 -16.320 -9.488 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.985 -16.679 -8.482 1.00 0.00 H new ATOM 1458 N GLY A 94 -1.318 -14.316 -5.080 1.00 0.00 N ATOM 1459 CA GLY A 94 -0.130 -13.519 -4.805 1.00 0.00 C ATOM 1460 C GLY A 94 0.831 -14.255 -3.897 1.00 0.00 C ATOM 1461 O GLY A 94 0.687 -14.223 -2.672 1.00 0.00 O ATOM 0 H GLY A 94 -1.953 -14.418 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.369 -13.272 -5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.422 -12.577 -4.341 1.00 0.00 H new ATOM 1465 N LYS A 95 1.796 -14.942 -4.506 1.00 0.00 N ATOM 1466 CA LYS A 95 2.782 -15.729 -3.761 1.00 0.00 C ATOM 1467 C LYS A 95 4.176 -15.665 -4.399 1.00 0.00 C ATOM 1468 O LYS A 95 4.945 -16.629 -4.337 1.00 0.00 O ATOM 1469 CB LYS A 95 2.303 -17.183 -3.637 1.00 0.00 C ATOM 1470 CG LYS A 95 1.491 -17.658 -4.838 1.00 0.00 C ATOM 1471 CD LYS A 95 0.988 -19.093 -4.688 1.00 0.00 C ATOM 1472 CE LYS A 95 0.025 -19.264 -3.515 1.00 0.00 C ATOM 1473 NZ LYS A 95 -1.210 -18.447 -3.676 1.00 0.00 N ATOM 0 H LYS A 95 1.918 -14.970 -5.518 1.00 0.00 H new ATOM 0 HA LYS A 95 2.872 -15.295 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.169 -17.834 -3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.698 -17.283 -2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.639 -16.993 -4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.104 -17.586 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.489 -19.396 -5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.840 -19.759 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.247 -20.315 -3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.528 -18.981 -2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.438 -17.981 -2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.056 -17.726 -4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.000 -19.063 -3.957 1.00 0.00 H new ATOM 1487 N VAL A 96 4.499 -14.514 -4.998 1.00 0.00 N ATOM 1488 CA VAL A 96 5.803 -14.309 -5.635 1.00 0.00 C ATOM 1489 C VAL A 96 6.565 -13.191 -4.916 1.00 0.00 C ATOM 1490 O VAL A 96 6.004 -12.132 -4.643 1.00 0.00 O ATOM 1491 CB VAL A 96 5.653 -13.961 -7.141 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.012 -13.866 -7.827 1.00 0.00 C ATOM 1493 CG2 VAL A 96 4.774 -14.989 -7.847 1.00 0.00 C ATOM 0 H VAL A 96 3.874 -13.710 -5.055 1.00 0.00 H new ATOM 0 HA VAL A 96 6.363 -15.241 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 96 5.172 -12.985 -7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.872 -13.621 -8.880 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.607 -13.087 -7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.530 -14.821 -7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.682 -14.726 -8.901 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.226 -15.977 -7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.785 -14.999 -7.388 1.00 0.00 H new ATOM 1503 N ASP A 97 7.839 -13.443 -4.599 1.00 0.00 N ATOM 1504 CA ASP A 97 8.670 -12.460 -3.896 1.00 0.00 C ATOM 1505 C ASP A 97 9.570 -11.691 -4.864 1.00 0.00 C ATOM 1506 O ASP A 97 10.432 -12.275 -5.527 1.00 0.00 O ATOM 1507 CB ASP A 97 9.517 -13.159 -2.826 1.00 0.00 C ATOM 1508 CG ASP A 97 10.358 -12.188 -2.015 1.00 0.00 C ATOM 1509 OD1 ASP A 97 9.773 -11.308 -1.348 1.00 0.00 O ATOM 1510 OD2 ASP A 97 11.600 -12.310 -2.047 1.00 0.00 O ATOM 0 H ASP A 97 8.317 -14.317 -4.817 1.00 0.00 H new ATOM 0 HA ASP A 97 8.006 -11.740 -3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.861 -13.713 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.171 -13.887 -3.305 1.00 0.00 H new ATOM 1515 N VAL A 98 9.362 -10.372 -4.927 1.00 0.00 N ATOM 1516 CA VAL A 98 10.146 -9.491 -5.796 1.00 0.00 C ATOM 1517 C VAL A 98 10.738 -8.338 -4.979 1.00 0.00 C ATOM 1518 O VAL A 98 10.016 -7.654 -4.254 1.00 0.00 O ATOM 1519 CB VAL A 98 9.288 -8.909 -6.956 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.148 -8.100 -7.921 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.552 -10.015 -7.702 1.00 0.00 C ATOM 0 H VAL A 98 8.650 -9.888 -4.380 1.00 0.00 H new ATOM 0 HA VAL A 98 10.946 -10.091 -6.231 1.00 0.00 H new ATOM 0 HB VAL A 98 8.547 -8.242 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.523 -7.705 -8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.617 -7.274 -7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 98 10.920 -8.742 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.960 -9.579 -8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.275 -10.715 -8.121 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.893 -10.543 -7.012 1.00 0.00 H new ATOM 1531 N LYS A 99 12.051 -8.131 -5.104 1.00 0.00 N ATOM 1532 CA LYS A 99 12.743 -7.059 -4.379 1.00 0.00 C ATOM 1533 C LYS A 99 12.502 -5.708 -5.056 1.00 0.00 C ATOM 1534 O LYS A 99 12.116 -5.659 -6.227 1.00 0.00 O ATOM 1535 CB LYS A 99 14.247 -7.342 -4.324 1.00 0.00 C ATOM 1536 CG LYS A 99 14.603 -8.679 -3.702 1.00 0.00 C ATOM 1537 CD LYS A 99 16.096 -8.957 -3.797 1.00 0.00 C ATOM 1538 CE LYS A 99 16.452 -10.317 -3.219 1.00 0.00 C ATOM 1539 NZ LYS A 99 15.799 -11.431 -3.964 1.00 0.00 N ATOM 0 H LYS A 99 12.659 -8.692 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 99 12.345 -7.023 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.650 -7.305 -5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.735 -6.549 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.296 -8.689 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.051 -9.474 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.409 -8.912 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.645 -8.180 -3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.534 -10.449 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.151 -10.356 -2.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.244 -12.333 -3.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 14.787 -11.461 -3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.910 -11.277 -4.986 1.00 0.00 H new ATOM 1553 N THR A 100 12.736 -4.613 -4.320 1.00 0.00 N ATOM 1554 CA THR A 100 12.547 -3.264 -4.866 1.00 0.00 C ATOM 1555 C THR A 100 13.751 -2.833 -5.705 1.00 0.00 C ATOM 1556 O THR A 100 14.773 -3.525 -5.741 1.00 0.00 O ATOM 1557 CB THR A 100 12.300 -2.251 -3.742 1.00 0.00 C ATOM 1558 OG1 THR A 100 13.361 -2.269 -2.806 1.00 0.00 O ATOM 1559 CG2 THR A 100 11.009 -2.493 -2.989 1.00 0.00 C ATOM 0 H THR A 100 13.054 -4.635 -3.351 1.00 0.00 H new ATOM 0 HA THR A 100 11.670 -3.291 -5.513 1.00 0.00 H new ATOM 0 HB THR A 100 12.232 -1.282 -4.237 1.00 0.00 H new ATOM 0 HG1 THR A 100 13.241 -3.021 -2.189 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.897 -1.741 -2.208 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.168 -2.428 -3.679 1.00 0.00 H new ATOM 0 HG23 THR A 100 11.032 -3.485 -2.537 1.00 0.00 H new ATOM 1567 N ASP A 101 13.615 -1.690 -6.385 1.00 0.00 N ATOM 1568 CA ASP A 101 14.678 -1.159 -7.238 1.00 0.00 C ATOM 1569 C ASP A 101 15.258 0.140 -6.670 1.00 0.00 C ATOM 1570 O ASP A 101 14.857 0.592 -5.594 1.00 0.00 O ATOM 1571 CB ASP A 101 14.148 -0.921 -8.657 1.00 0.00 C ATOM 1572 CG ASP A 101 13.725 -2.203 -9.352 1.00 0.00 C ATOM 1573 OD1 ASP A 101 12.774 -2.858 -8.872 1.00 0.00 O ATOM 1574 OD2 ASP A 101 14.345 -2.553 -10.378 1.00 0.00 O ATOM 0 H ASP A 101 12.774 -1.114 -6.359 1.00 0.00 H new ATOM 0 HA ASP A 101 15.479 -1.898 -7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.298 -0.240 -8.613 1.00 0.00 H new ATOM 0 HB3 ASP A 101 14.919 -0.430 -9.250 1.00 0.00 H new ATOM 1579 N LYS A 102 16.208 0.726 -7.408 1.00 0.00 N ATOM 1580 CA LYS A 102 16.870 1.965 -7.010 1.00 0.00 C ATOM 1581 C LYS A 102 15.955 3.173 -7.203 1.00 0.00 C ATOM 1582 O LYS A 102 15.943 4.096 -6.384 1.00 0.00 O ATOM 1583 CB LYS A 102 18.135 2.156 -7.849 1.00 0.00 C ATOM 1584 CG LYS A 102 19.019 3.301 -7.379 1.00 0.00 C ATOM 1585 CD LYS A 102 19.402 4.251 -8.512 1.00 0.00 C ATOM 1586 CE LYS A 102 18.346 5.329 -8.731 1.00 0.00 C ATOM 1587 NZ LYS A 102 18.778 6.330 -9.744 1.00 0.00 N ATOM 0 H LYS A 102 16.537 0.351 -8.298 1.00 0.00 H new ATOM 0 HA LYS A 102 17.122 1.890 -5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 102 18.714 1.232 -7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.848 2.333 -8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 102 18.500 3.860 -6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.925 2.895 -6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 102 20.359 4.721 -8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.537 3.683 -9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.414 4.864 -9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.140 5.833 -7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.463 7.277 -9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 19.815 6.319 -9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 18.359 6.094 -10.666 1.00 0.00 H new ATOM 1601 N TRP A 103 15.221 3.164 -8.313 1.00 0.00 N ATOM 1602 CA TRP A 103 14.323 4.263 -8.674 1.00 0.00 C ATOM 1603 C TRP A 103 13.025 4.247 -7.865 1.00 0.00 C ATOM 1604 O TRP A 103 12.197 5.152 -8.001 1.00 0.00 O ATOM 1605 CB TRP A 103 14.028 4.225 -10.182 1.00 0.00 C ATOM 1606 CG TRP A 103 15.273 4.284 -11.026 1.00 0.00 C ATOM 1607 CD1 TRP A 103 16.112 3.246 -11.318 1.00 0.00 C ATOM 1608 CD2 TRP A 103 15.835 5.442 -11.663 1.00 0.00 C ATOM 1609 NE1 TRP A 103 17.158 3.682 -12.087 1.00 0.00 N ATOM 1610 CE2 TRP A 103 17.010 5.023 -12.318 1.00 0.00 C ATOM 1611 CE3 TRP A 103 15.461 6.788 -11.747 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 17.813 5.899 -13.040 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 16.261 7.657 -12.468 1.00 0.00 C ATOM 1614 CH2 TRP A 103 17.425 7.210 -13.106 1.00 0.00 C ATOM 0 H TRP A 103 15.230 2.398 -8.987 1.00 0.00 H new ATOM 0 HA TRP A 103 14.831 5.196 -8.430 1.00 0.00 H new ATOM 0 HB2 TRP A 103 13.479 3.313 -10.417 1.00 0.00 H new ATOM 0 HB3 TRP A 103 13.380 5.062 -10.441 1.00 0.00 H new ATOM 0 HD1 TRP A 103 15.971 2.227 -10.989 1.00 0.00 H new ATOM 0 HE1 TRP A 103 17.923 3.102 -12.432 1.00 0.00 H new ATOM 0 HE3 TRP A 103 14.565 7.142 -11.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 18.712 5.557 -13.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 15.983 8.698 -12.540 1.00 0.00 H new ATOM 0 HH2 TRP A 103 18.028 7.913 -13.661 1.00 0.00 H new ATOM 1625 N ASP A 104 12.860 3.235 -7.009 1.00 0.00 N ATOM 1626 CA ASP A 104 11.672 3.131 -6.166 1.00 0.00 C ATOM 1627 C ASP A 104 11.800 4.061 -4.961 1.00 0.00 C ATOM 1628 O ASP A 104 12.914 4.334 -4.503 1.00 0.00 O ATOM 1629 CB ASP A 104 11.453 1.683 -5.706 1.00 0.00 C ATOM 1630 CG ASP A 104 11.045 0.749 -6.839 1.00 0.00 C ATOM 1631 OD1 ASP A 104 10.983 1.200 -8.004 1.00 0.00 O ATOM 1632 OD2 ASP A 104 10.783 -0.440 -6.556 1.00 0.00 O ATOM 0 H ASP A 104 13.534 2.479 -6.884 1.00 0.00 H new ATOM 0 HA ASP A 104 10.805 3.433 -6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.370 1.311 -5.249 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.683 1.666 -4.935 1.00 0.00 H new ATOM 1637 N PHE A 105 10.648 4.552 -4.472 1.00 0.00 N ATOM 1638 CA PHE A 105 10.576 5.479 -3.324 1.00 0.00 C ATOM 1639 C PHE A 105 11.372 6.767 -3.601 1.00 0.00 C ATOM 1640 O PHE A 105 11.842 7.434 -2.674 1.00 0.00 O ATOM 1641 CB PHE A 105 11.079 4.826 -2.015 1.00 0.00 C ATOM 1642 CG PHE A 105 10.498 3.469 -1.704 1.00 0.00 C ATOM 1643 CD1 PHE A 105 9.227 3.341 -1.167 1.00 0.00 C ATOM 1644 CD2 PHE A 105 11.234 2.320 -1.948 1.00 0.00 C ATOM 1645 CE1 PHE A 105 8.703 2.096 -0.881 1.00 0.00 C ATOM 1646 CE2 PHE A 105 10.715 1.073 -1.662 1.00 0.00 C ATOM 1647 CZ PHE A 105 9.447 0.960 -1.128 1.00 0.00 C ATOM 0 H PHE A 105 9.735 4.317 -4.862 1.00 0.00 H new ATOM 0 HA PHE A 105 9.524 5.730 -3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 105 12.164 4.734 -2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.856 5.497 -1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 105 8.639 4.225 -0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 105 12.226 2.401 -2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 105 7.710 2.011 -0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.301 0.187 -1.856 1.00 0.00 H new ATOM 0 HZ PHE A 105 9.038 -0.014 -0.904 1.00 0.00 H new ATOM 1657 N TYR A 106 11.520 7.100 -4.888 1.00 0.00 N ATOM 1658 CA TYR A 106 12.258 8.293 -5.312 1.00 0.00 C ATOM 1659 C TYR A 106 11.509 9.013 -6.435 1.00 0.00 C ATOM 1660 O TYR A 106 11.426 8.518 -7.563 1.00 0.00 O ATOM 1661 CB TYR A 106 13.683 7.886 -5.753 1.00 0.00 C ATOM 1662 CG TYR A 106 14.564 8.995 -6.335 1.00 0.00 C ATOM 1663 CD1 TYR A 106 14.665 10.262 -5.747 1.00 0.00 C ATOM 1664 CD2 TYR A 106 15.313 8.754 -7.483 1.00 0.00 C ATOM 1665 CE1 TYR A 106 15.474 11.238 -6.290 1.00 0.00 C ATOM 1666 CE2 TYR A 106 16.128 9.729 -8.025 1.00 0.00 C ATOM 1667 CZ TYR A 106 16.203 10.967 -7.426 1.00 0.00 C ATOM 1668 OH TYR A 106 17.017 11.937 -7.963 1.00 0.00 O ATOM 0 H TYR A 106 11.135 6.554 -5.659 1.00 0.00 H new ATOM 0 HA TYR A 106 12.340 8.988 -4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 106 14.197 7.459 -4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 106 13.596 7.094 -6.497 1.00 0.00 H new ATOM 0 HD1 TYR A 106 14.099 10.479 -4.853 1.00 0.00 H new ATOM 0 HD2 TYR A 106 15.256 7.786 -7.959 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.535 12.211 -5.826 1.00 0.00 H new ATOM 0 HE2 TYR A 106 16.704 9.521 -8.915 1.00 0.00 H new ATOM 0 HH TYR A 106 17.462 11.585 -8.762 1.00 0.00 H new