USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 660 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 22 CYS SG : rot 16:sc= -5.5! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -6.44! C(o=-12!,f=-20!) USER MOD Single : A 1 GLY N :NH3+ -172:sc= 0 (180deg=-0.0594) USER MOD Single : A 2 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-7.4!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -102:sc= -0.0912! USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -17:sc= -0.14 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.699 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0692 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -171:sc= -1.62! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.744 K(o=0.74,f=-2.3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.54 K(o=-1.5,f=-4.1!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 89 SER OG : rot 32:sc= 0.288 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.105 -6.249 -16.757 1.00 0.00 N ATOM 2 CA GLY A 1 11.980 -6.993 -15.807 1.00 0.00 C ATOM 3 C GLY A 1 12.120 -6.199 -14.513 1.00 0.00 C ATOM 4 O GLY A 1 12.022 -6.756 -13.420 1.00 0.00 O ATOM 0 H1 GLY A 1 10.900 -6.848 -17.582 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.215 -5.995 -16.283 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.589 -5.383 -17.070 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.556 -7.975 -15.599 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.961 -7.157 -16.253 1.00 0.00 H new ATOM 10 N HIS A 2 12.345 -4.896 -14.645 1.00 0.00 N ATOM 11 CA HIS A 2 12.495 -4.029 -13.478 1.00 0.00 C ATOM 12 C HIS A 2 11.131 -3.590 -12.958 1.00 0.00 C ATOM 13 O HIS A 2 11.011 -3.124 -11.827 1.00 0.00 O ATOM 14 CB HIS A 2 13.331 -2.799 -13.845 1.00 0.00 C ATOM 15 CG HIS A 2 12.915 -2.296 -15.199 1.00 0.00 C ATOM 16 ND1 HIS A 2 11.597 -2.325 -15.629 1.00 0.00 N ATOM 17 CD2 HIS A 2 13.634 -1.751 -16.233 1.00 0.00 C ATOM 18 CE1 HIS A 2 11.566 -1.811 -16.872 1.00 0.00 C ATOM 19 NE2 HIS A 2 12.780 -1.445 -17.288 1.00 0.00 N ATOM 0 H HIS A 2 12.427 -4.418 -15.542 1.00 0.00 H new ATOM 0 HA HIS A 2 13.003 -4.589 -12.693 1.00 0.00 H new ATOM 0 HB2 HIS A 2 13.195 -2.017 -13.097 1.00 0.00 H new ATOM 0 HB3 HIS A 2 14.391 -3.055 -13.850 1.00 0.00 H new ATOM 0 HD2 HIS A 2 14.701 -1.585 -16.229 1.00 0.00 H new ATOM 0 HE1 HIS A 2 10.667 -1.707 -17.462 1.00 0.00 H new ATOM 0 HE2 HIS A 2 13.028 -1.030 -18.186 1.00 0.00 H new ATOM 28 N MET A 3 10.104 -3.740 -13.792 1.00 0.00 N ATOM 29 CA MET A 3 8.747 -3.352 -13.406 1.00 0.00 C ATOM 30 C MET A 3 7.754 -4.439 -13.792 1.00 0.00 C ATOM 31 O MET A 3 7.541 -4.711 -14.973 1.00 0.00 O ATOM 32 CB MET A 3 8.367 -2.040 -14.098 1.00 0.00 C ATOM 33 CG MET A 3 7.064 -1.506 -13.500 1.00 0.00 C ATOM 34 SD MET A 3 7.370 -0.929 -11.812 1.00 0.00 S ATOM 35 CE MET A 3 5.748 -0.183 -11.528 1.00 0.00 C ATOM 0 H MET A 3 10.183 -4.125 -14.733 1.00 0.00 H new ATOM 0 HA MET A 3 8.717 -3.215 -12.325 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.164 -1.307 -13.974 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.248 -2.203 -15.169 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.678 -0.690 -14.111 1.00 0.00 H new ATOM 0 HG3 MET A 3 6.305 -2.288 -13.497 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.714 0.243 -10.525 1.00 0.00 H new ATOM 0 HE2 MET A 3 5.576 0.603 -12.263 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.975 -0.945 -11.624 1.00 0.00 H new ATOM 45 N SER A 4 7.145 -5.054 -12.784 1.00 0.00 N ATOM 46 CA SER A 4 6.167 -6.111 -13.021 1.00 0.00 C ATOM 47 C SER A 4 5.202 -6.223 -11.847 1.00 0.00 C ATOM 48 O SER A 4 5.552 -5.912 -10.709 1.00 0.00 O ATOM 49 CB SER A 4 6.885 -7.446 -13.226 1.00 0.00 C ATOM 50 OG SER A 4 7.201 -8.006 -11.958 1.00 0.00 O ATOM 0 H SER A 4 7.310 -4.841 -11.800 1.00 0.00 H new ATOM 0 HA SER A 4 5.599 -5.862 -13.917 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.252 -8.130 -13.792 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.794 -7.298 -13.808 1.00 0.00 H new ATOM 0 HG SER A 4 7.660 -8.863 -12.084 1.00 0.00 H new ATOM 56 N ASP A 5 3.986 -6.674 -12.135 1.00 0.00 N ATOM 57 CA ASP A 5 2.968 -6.829 -11.098 1.00 0.00 C ATOM 58 C ASP A 5 3.154 -8.148 -10.364 1.00 0.00 C ATOM 59 O ASP A 5 2.393 -8.481 -9.454 1.00 0.00 O ATOM 60 CB ASP A 5 1.571 -6.776 -11.716 1.00 0.00 C ATOM 61 CG ASP A 5 1.296 -5.376 -12.257 1.00 0.00 C ATOM 62 OD1 ASP A 5 2.046 -4.474 -11.918 1.00 0.00 O ATOM 63 OD2 ASP A 5 0.341 -5.226 -13.000 1.00 0.00 O ATOM 0 H ASP A 5 3.681 -6.938 -13.072 1.00 0.00 H new ATOM 0 HA ASP A 5 3.075 -6.010 -10.387 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.491 -7.508 -12.520 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.823 -7.040 -10.969 1.00 0.00 H new ATOM 68 N LEU A 6 4.167 -8.898 -10.770 1.00 0.00 N ATOM 69 CA LEU A 6 4.447 -10.181 -10.157 1.00 0.00 C ATOM 70 C LEU A 6 3.204 -11.053 -10.185 1.00 0.00 C ATOM 71 O LEU A 6 2.201 -10.665 -10.783 1.00 0.00 O ATOM 72 CB LEU A 6 4.909 -9.983 -8.713 1.00 0.00 C ATOM 73 CG LEU A 6 5.685 -11.242 -8.206 1.00 0.00 C ATOM 74 CD1 LEU A 6 7.099 -10.845 -7.790 1.00 0.00 C ATOM 75 CD2 LEU A 6 4.951 -11.849 -7.008 1.00 0.00 C ATOM 0 H LEU A 6 4.807 -8.638 -11.521 1.00 0.00 H new ATOM 0 HA LEU A 6 5.240 -10.674 -10.719 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.550 -9.104 -8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.047 -9.798 -8.072 1.00 0.00 H new ATOM 0 HG LEU A 6 5.739 -11.977 -9.009 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.635 -11.726 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.624 -10.419 -8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.049 -10.106 -6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.493 -12.727 -6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.892 -11.113 -6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.944 -12.141 -7.308 1.00 0.00 H new ATOM 87 N SER A 7 3.287 -12.222 -9.522 1.00 0.00 N ATOM 88 CA SER A 7 2.170 -13.174 -9.450 1.00 0.00 C ATOM 89 C SER A 7 2.691 -14.599 -9.295 1.00 0.00 C ATOM 90 O SER A 7 3.866 -14.811 -9.003 1.00 0.00 O ATOM 91 CB SER A 7 1.314 -13.077 -10.724 1.00 0.00 C ATOM 92 OG SER A 7 2.157 -12.790 -11.837 1.00 0.00 O ATOM 0 H SER A 7 4.124 -12.528 -9.026 1.00 0.00 H new ATOM 0 HA SER A 7 1.560 -12.924 -8.582 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.780 -14.013 -10.889 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.562 -12.296 -10.612 1.00 0.00 H new ATOM 0 HG SER A 7 2.083 -11.840 -12.067 1.00 0.00 H new ATOM 98 N THR A 8 1.791 -15.558 -9.485 1.00 0.00 N ATOM 99 CA THR A 8 2.123 -16.962 -9.384 1.00 0.00 C ATOM 100 C THR A 8 2.261 -17.357 -7.935 1.00 0.00 C ATOM 101 O THR A 8 2.172 -18.537 -7.607 1.00 0.00 O ATOM 102 CB THR A 8 3.435 -17.244 -10.130 1.00 0.00 C ATOM 103 OG1 THR A 8 3.479 -16.464 -11.315 1.00 0.00 O ATOM 104 CG2 THR A 8 3.526 -18.727 -10.487 1.00 0.00 C ATOM 0 H THR A 8 0.813 -15.377 -9.713 1.00 0.00 H new ATOM 0 HA THR A 8 1.323 -17.548 -9.836 1.00 0.00 H new ATOM 0 HB THR A 8 4.276 -16.983 -9.488 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.316 -16.641 -11.792 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.460 -18.917 -11.016 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.497 -19.323 -9.575 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.686 -19.000 -11.125 1.00 0.00 H new ATOM 112 N ALA A 9 2.478 -16.355 -7.075 1.00 0.00 N ATOM 113 CA ALA A 9 2.636 -16.598 -5.635 1.00 0.00 C ATOM 114 C ALA A 9 3.401 -15.456 -4.968 1.00 0.00 C ATOM 115 O ALA A 9 4.556 -15.619 -4.569 1.00 0.00 O ATOM 116 CB ALA A 9 3.385 -17.917 -5.401 1.00 0.00 C ATOM 0 H ALA A 9 2.548 -15.375 -7.348 1.00 0.00 H new ATOM 0 HA ALA A 9 1.641 -16.658 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.497 -18.087 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.821 -18.739 -5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.370 -17.863 -5.864 1.00 0.00 H new ATOM 122 N PRO A 10 2.774 -14.324 -4.825 1.00 0.00 N ATOM 123 CA PRO A 10 3.392 -13.135 -4.173 1.00 0.00 C ATOM 124 C PRO A 10 3.745 -13.418 -2.713 1.00 0.00 C ATOM 125 O PRO A 10 3.045 -14.171 -2.038 1.00 0.00 O ATOM 126 CB PRO A 10 2.305 -12.043 -4.287 1.00 0.00 C ATOM 127 CG PRO A 10 1.368 -12.530 -5.348 1.00 0.00 C ATOM 128 CD PRO A 10 1.406 -14.050 -5.276 1.00 0.00 C ATOM 0 HA PRO A 10 4.331 -12.843 -4.643 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.787 -11.903 -3.338 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.740 -11.081 -4.558 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.358 -12.156 -5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.677 -12.178 -6.332 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.665 -14.440 -4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.202 -14.505 -6.245 1.00 0.00 H new ATOM 136 N THR A 11 4.829 -12.809 -2.231 1.00 0.00 N ATOM 137 CA THR A 11 5.262 -12.998 -0.847 1.00 0.00 C ATOM 138 C THR A 11 5.103 -11.699 -0.067 1.00 0.00 C ATOM 139 O THR A 11 5.178 -10.612 -0.631 1.00 0.00 O ATOM 140 CB THR A 11 6.724 -13.439 -0.819 1.00 0.00 C ATOM 141 OG1 THR A 11 6.917 -14.487 -1.760 1.00 0.00 O ATOM 142 CG2 THR A 11 7.081 -13.933 0.580 1.00 0.00 C ATOM 0 H THR A 11 5.421 -12.183 -2.777 1.00 0.00 H new ATOM 0 HA THR A 11 4.644 -13.768 -0.385 1.00 0.00 H new ATOM 0 HB THR A 11 7.365 -12.596 -1.077 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.855 -14.771 -1.746 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.124 -14.248 0.600 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.931 -13.128 1.299 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.443 -14.777 0.842 1.00 0.00 H new ATOM 150 N LEU A 12 4.878 -11.822 1.230 1.00 0.00 N ATOM 151 CA LEU A 12 4.687 -10.653 2.080 1.00 0.00 C ATOM 152 C LEU A 12 5.753 -9.605 1.794 1.00 0.00 C ATOM 153 O LEU A 12 5.500 -8.402 1.881 1.00 0.00 O ATOM 154 CB LEU A 12 4.767 -11.066 3.555 1.00 0.00 C ATOM 155 CG LEU A 12 3.472 -11.771 3.968 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.335 -13.097 3.203 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.502 -12.052 5.474 1.00 0.00 C ATOM 0 H LEU A 12 4.823 -12.715 1.719 1.00 0.00 H new ATOM 0 HA LEU A 12 3.706 -10.228 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.618 -11.729 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.929 -10.188 4.180 1.00 0.00 H new ATOM 0 HG LEU A 12 2.623 -11.130 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.412 -13.595 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.311 -12.898 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.185 -13.740 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.580 -12.554 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.354 -12.690 5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.593 -11.112 6.018 1.00 0.00 H new ATOM 169 N ASP A 13 6.948 -10.069 1.460 1.00 0.00 N ATOM 170 CA ASP A 13 8.047 -9.159 1.169 1.00 0.00 C ATOM 171 C ASP A 13 7.786 -8.392 -0.118 1.00 0.00 C ATOM 172 O ASP A 13 8.080 -7.206 -0.194 1.00 0.00 O ATOM 173 CB ASP A 13 9.355 -9.925 1.023 1.00 0.00 C ATOM 174 CG ASP A 13 9.427 -11.029 2.079 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.907 -10.818 3.163 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.987 -12.072 1.784 1.00 0.00 O ATOM 0 H ASP A 13 7.181 -11.059 1.384 1.00 0.00 H new ATOM 0 HA ASP A 13 8.123 -8.460 2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.424 -10.358 0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.200 -9.246 1.135 1.00 0.00 H new ATOM 181 N SER A 14 7.236 -9.072 -1.127 1.00 0.00 N ATOM 182 CA SER A 14 6.953 -8.426 -2.401 1.00 0.00 C ATOM 183 C SER A 14 5.874 -7.357 -2.242 1.00 0.00 C ATOM 184 O SER A 14 5.926 -6.298 -2.879 1.00 0.00 O ATOM 185 CB SER A 14 6.518 -9.464 -3.417 1.00 0.00 C ATOM 186 OG SER A 14 5.380 -10.167 -2.932 1.00 0.00 O ATOM 0 H SER A 14 6.982 -10.059 -1.084 1.00 0.00 H new ATOM 0 HA SER A 14 7.862 -7.939 -2.753 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.281 -8.981 -4.365 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.333 -10.162 -3.609 1.00 0.00 H new ATOM 0 HG SER A 14 5.295 -10.026 -1.966 1.00 0.00 H new ATOM 192 N LEU A 15 4.888 -7.629 -1.403 1.00 0.00 N ATOM 193 CA LEU A 15 3.828 -6.667 -1.184 1.00 0.00 C ATOM 194 C LEU A 15 4.344 -5.532 -0.314 1.00 0.00 C ATOM 195 O LEU A 15 4.478 -4.400 -0.766 1.00 0.00 O ATOM 196 CB LEU A 15 2.629 -7.360 -0.506 1.00 0.00 C ATOM 197 CG LEU A 15 1.851 -8.180 -1.531 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.805 -9.016 -2.375 1.00 0.00 C ATOM 199 CD2 LEU A 15 0.917 -9.126 -0.792 1.00 0.00 C ATOM 0 H LEU A 15 4.802 -8.495 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 15 3.502 -6.259 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.980 -8.007 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.976 -6.614 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 15 1.293 -7.502 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.235 -9.595 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.499 -8.358 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.364 -9.693 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.354 -9.719 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.501 -9.789 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.225 -8.549 -0.178 1.00 0.00 H new ATOM 211 N ARG A 16 4.634 -5.842 0.935 1.00 0.00 N ATOM 212 CA ARG A 16 5.111 -4.823 1.863 1.00 0.00 C ATOM 213 C ARG A 16 6.020 -3.811 1.144 1.00 0.00 C ATOM 214 O ARG A 16 5.819 -2.585 1.246 1.00 0.00 O ATOM 215 CB ARG A 16 5.893 -5.494 2.985 1.00 0.00 C ATOM 216 CG ARG A 16 6.500 -4.422 3.933 1.00 0.00 C ATOM 217 CD ARG A 16 7.967 -4.126 3.570 1.00 0.00 C ATOM 218 NE ARG A 16 8.628 -3.483 4.690 1.00 0.00 N ATOM 219 CZ ARG A 16 8.524 -2.179 4.889 1.00 0.00 C ATOM 220 NH1 ARG A 16 7.800 -1.450 4.082 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.142 -1.628 5.892 1.00 0.00 N ATOM 0 H ARG A 16 4.551 -6.778 1.331 1.00 0.00 H new ATOM 0 HA ARG A 16 4.251 -4.290 2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.237 -6.158 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.688 -6.111 2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.915 -3.504 3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.441 -4.769 4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.482 -5.052 3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.012 -3.483 2.691 1.00 0.00 H new ATOM 0 HE ARG A 16 9.182 -4.046 5.335 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.315 -1.886 3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.720 -0.445 4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.704 -2.201 6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.065 -0.623 6.049 1.00 0.00 H new ATOM 235 N VAL A 17 7.003 -4.329 0.404 1.00 0.00 N ATOM 236 CA VAL A 17 7.923 -3.471 -0.336 1.00 0.00 C ATOM 237 C VAL A 17 7.156 -2.663 -1.385 1.00 0.00 C ATOM 238 O VAL A 17 7.462 -1.496 -1.626 1.00 0.00 O ATOM 239 CB VAL A 17 9.000 -4.322 -1.019 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.744 -5.174 0.040 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.328 -5.232 -2.033 1.00 0.00 C ATOM 0 H VAL A 17 7.179 -5.329 0.303 1.00 0.00 H new ATOM 0 HA VAL A 17 8.402 -2.784 0.361 1.00 0.00 H new ATOM 0 HB VAL A 17 9.722 -3.677 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.508 -5.777 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.214 -4.516 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.034 -5.829 0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.082 -5.844 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.612 -5.878 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.807 -4.627 -2.775 1.00 0.00 H new ATOM 251 N TRP A 18 6.156 -3.285 -2.012 1.00 0.00 N ATOM 252 CA TRP A 18 5.369 -2.587 -3.021 1.00 0.00 C ATOM 253 C TRP A 18 4.721 -1.331 -2.424 1.00 0.00 C ATOM 254 O TRP A 18 4.788 -0.248 -2.998 1.00 0.00 O ATOM 255 CB TRP A 18 4.275 -3.540 -3.578 1.00 0.00 C ATOM 256 CG TRP A 18 2.901 -3.090 -3.139 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.175 -3.607 -2.109 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.084 -2.026 -3.692 1.00 0.00 C ATOM 259 NE1 TRP A 18 1.008 -2.918 -1.990 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.895 -1.942 -2.934 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.257 -1.124 -4.752 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.082 -1.021 -3.217 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.263 -0.189 -5.041 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.097 -0.139 -4.263 1.00 0.00 C ATOM 0 H TRP A 18 5.878 -4.252 -1.842 1.00 0.00 H new ATOM 0 HA TRP A 18 6.028 -2.280 -3.833 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.325 -3.563 -4.667 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.459 -4.556 -3.229 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.478 -4.434 -1.485 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.302 -3.109 -1.279 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.160 -1.153 -5.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.985 -0.987 -2.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.391 0.497 -5.865 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.665 0.594 -4.484 1.00 0.00 H new ATOM 275 N LEU A 19 4.075 -1.499 -1.281 1.00 0.00 N ATOM 276 CA LEU A 19 3.391 -0.387 -0.637 1.00 0.00 C ATOM 277 C LEU A 19 4.349 0.763 -0.402 1.00 0.00 C ATOM 278 O LEU A 19 4.145 1.864 -0.917 1.00 0.00 O ATOM 279 CB LEU A 19 2.810 -0.859 0.710 1.00 0.00 C ATOM 280 CG LEU A 19 1.275 -1.092 0.612 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.885 -2.351 1.372 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.528 0.124 1.186 1.00 0.00 C ATOM 0 H LEU A 19 4.009 -2.387 -0.783 1.00 0.00 H new ATOM 0 HA LEU A 19 2.587 -0.042 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.301 -1.782 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.019 -0.116 1.479 1.00 0.00 H new ATOM 0 HG LEU A 19 1.001 -1.218 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.192 -2.503 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.404 -3.209 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.163 -2.244 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.547 -0.043 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.806 0.262 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.795 1.016 0.619 1.00 0.00 H new ATOM 294 N VAL A 20 5.386 0.518 0.378 1.00 0.00 N ATOM 295 CA VAL A 20 6.338 1.574 0.668 1.00 0.00 C ATOM 296 C VAL A 20 6.960 2.104 -0.619 1.00 0.00 C ATOM 297 O VAL A 20 7.029 3.314 -0.832 1.00 0.00 O ATOM 298 CB VAL A 20 7.432 1.029 1.588 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.041 -0.236 0.974 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.526 2.084 1.769 1.00 0.00 C ATOM 0 H VAL A 20 5.588 -0.382 0.814 1.00 0.00 H new ATOM 0 HA VAL A 20 5.817 2.395 1.161 1.00 0.00 H new ATOM 0 HB VAL A 20 6.996 0.788 2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.820 -0.621 1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.264 -0.991 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.473 0.003 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.304 1.693 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.959 2.330 0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.096 2.982 2.212 1.00 0.00 H new ATOM 310 N ASP A 21 7.428 1.196 -1.465 1.00 0.00 N ATOM 311 CA ASP A 21 8.063 1.597 -2.709 1.00 0.00 C ATOM 312 C ASP A 21 7.097 2.412 -3.563 1.00 0.00 C ATOM 313 O ASP A 21 7.500 3.353 -4.253 1.00 0.00 O ATOM 314 CB ASP A 21 8.508 0.353 -3.483 1.00 0.00 C ATOM 315 CG ASP A 21 9.221 0.760 -4.767 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.235 1.944 -5.063 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.741 -0.117 -5.436 1.00 0.00 O ATOM 0 H ASP A 21 7.380 0.188 -1.314 1.00 0.00 H new ATOM 0 HA ASP A 21 8.931 2.214 -2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.173 -0.251 -2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.643 -0.266 -3.719 1.00 0.00 H new ATOM 322 N CYS A 22 5.823 2.049 -3.504 1.00 0.00 N ATOM 323 CA CYS A 22 4.807 2.756 -4.270 1.00 0.00 C ATOM 324 C CYS A 22 4.733 4.211 -3.839 1.00 0.00 C ATOM 325 O CYS A 22 4.711 5.115 -4.674 1.00 0.00 O ATOM 326 CB CYS A 22 3.444 2.098 -4.073 1.00 0.00 C ATOM 327 SG CYS A 22 2.193 2.978 -5.036 1.00 0.00 S ATOM 0 H CYS A 22 5.471 1.276 -2.939 1.00 0.00 H new ATOM 0 HA CYS A 22 5.081 2.710 -5.324 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.486 1.054 -4.383 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.175 2.107 -3.017 1.00 0.00 H new ATOM 0 HG CYS A 22 2.777 3.738 -5.914 1.00 0.00 H new ATOM 333 N VAL A 23 4.688 4.437 -2.532 1.00 0.00 N ATOM 334 CA VAL A 23 4.608 5.803 -2.026 1.00 0.00 C ATOM 335 C VAL A 23 5.869 6.580 -2.406 1.00 0.00 C ATOM 336 O VAL A 23 5.788 7.706 -2.896 1.00 0.00 O ATOM 337 CB VAL A 23 4.468 5.785 -0.507 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.322 7.223 0.055 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.244 4.956 -0.105 1.00 0.00 C ATOM 0 H VAL A 23 4.705 3.711 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 23 3.738 6.289 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 23 5.370 5.337 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.224 7.181 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.204 7.807 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.436 7.692 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.151 4.948 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.348 5.395 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.362 3.935 -0.467 1.00 0.00 H new ATOM 349 N ALA A 24 7.038 5.978 -2.173 1.00 0.00 N ATOM 350 CA ALA A 24 8.298 6.637 -2.493 1.00 0.00 C ATOM 351 C ALA A 24 8.266 7.169 -3.915 1.00 0.00 C ATOM 352 O ALA A 24 8.598 8.320 -4.158 1.00 0.00 O ATOM 353 CB ALA A 24 9.453 5.647 -2.344 1.00 0.00 C ATOM 0 H ALA A 24 7.134 5.047 -1.769 1.00 0.00 H new ATOM 0 HA ALA A 24 8.442 7.470 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.392 6.145 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.489 5.281 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.303 4.808 -3.023 1.00 0.00 H new ATOM 359 N GLY A 25 7.868 6.319 -4.851 1.00 0.00 N ATOM 360 CA GLY A 25 7.799 6.729 -6.250 1.00 0.00 C ATOM 361 C GLY A 25 6.774 7.844 -6.443 1.00 0.00 C ATOM 362 O GLY A 25 7.028 8.822 -7.149 1.00 0.00 O ATOM 0 H GLY A 25 7.591 5.354 -4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.780 7.070 -6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.532 5.874 -6.871 1.00 0.00 H new ATOM 366 N HIS A 26 5.613 7.692 -5.813 1.00 0.00 N ATOM 367 CA HIS A 26 4.557 8.689 -5.933 1.00 0.00 C ATOM 368 C HIS A 26 5.062 10.067 -5.522 1.00 0.00 C ATOM 369 O HIS A 26 4.923 11.028 -6.279 1.00 0.00 O ATOM 370 CB HIS A 26 3.372 8.306 -5.038 1.00 0.00 C ATOM 371 CG HIS A 26 2.581 7.205 -5.684 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.094 7.311 -6.975 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.179 5.975 -5.231 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.434 6.176 -7.254 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.455 5.327 -6.225 1.00 0.00 N ATOM 0 H HIS A 26 5.382 6.895 -5.220 1.00 0.00 H new ATOM 0 HA HIS A 26 4.241 8.722 -6.976 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.732 7.983 -4.061 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.735 9.174 -4.871 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.392 5.572 -4.252 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.946 5.975 -8.196 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.031 4.401 -6.178 1.00 0.00 H new ATOM 384 N LEU A 27 5.647 10.171 -4.328 1.00 0.00 N ATOM 385 CA LEU A 27 6.154 11.458 -3.862 1.00 0.00 C ATOM 386 C LEU A 27 7.556 11.716 -4.400 1.00 0.00 C ATOM 387 O LEU A 27 7.922 12.854 -4.686 1.00 0.00 O ATOM 388 CB LEU A 27 6.179 11.457 -2.334 1.00 0.00 C ATOM 389 CG LEU A 27 4.791 11.080 -1.799 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.822 11.047 -0.266 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.752 12.115 -2.267 1.00 0.00 C ATOM 0 H LEU A 27 5.779 9.395 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 27 5.500 12.250 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.924 10.749 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.468 12.441 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 27 4.517 10.096 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.835 10.779 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.551 10.309 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.101 12.030 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.769 11.842 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.026 13.101 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.724 12.136 -3.356 1.00 0.00 H new ATOM 403 N GLY A 28 8.338 10.652 -4.526 1.00 0.00 N ATOM 404 CA GLY A 28 9.712 10.750 -5.023 1.00 0.00 C ATOM 405 C GLY A 28 10.720 10.753 -3.874 1.00 0.00 C ATOM 406 O GLY A 28 11.929 10.780 -4.099 1.00 0.00 O ATOM 0 H GLY A 28 8.046 9.704 -4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.920 9.913 -5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.824 11.661 -5.610 1.00 0.00 H new ATOM 410 N LEU A 29 10.222 10.741 -2.641 1.00 0.00 N ATOM 411 CA LEU A 29 11.090 10.752 -1.469 1.00 0.00 C ATOM 412 C LEU A 29 11.804 9.414 -1.329 1.00 0.00 C ATOM 413 O LEU A 29 11.651 8.527 -2.169 1.00 0.00 O ATOM 414 CB LEU A 29 10.272 11.035 -0.207 1.00 0.00 C ATOM 415 CG LEU A 29 9.393 12.270 -0.429 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.593 12.561 0.844 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.271 13.481 -0.779 1.00 0.00 C ATOM 0 H LEU A 29 9.225 10.724 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 29 11.833 11.540 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.651 10.173 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.937 11.198 0.641 1.00 0.00 H new ATOM 0 HG LEU A 29 8.706 12.080 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.967 13.440 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.963 11.704 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.279 12.747 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.639 14.355 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.965 13.676 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.833 13.272 -1.689 1.00 0.00 H new ATOM 429 N ASP A 30 12.581 9.274 -0.263 1.00 0.00 N ATOM 430 CA ASP A 30 13.315 8.035 -0.017 1.00 0.00 C ATOM 431 C ASP A 30 12.416 6.987 0.631 1.00 0.00 C ATOM 432 O ASP A 30 11.763 7.249 1.642 1.00 0.00 O ATOM 433 CB ASP A 30 14.512 8.307 0.890 1.00 0.00 C ATOM 434 CG ASP A 30 15.288 7.019 1.139 1.00 0.00 C ATOM 435 OD1 ASP A 30 14.828 5.978 0.699 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.331 7.091 1.766 1.00 0.00 O ATOM 0 H ASP A 30 12.720 9.997 0.443 1.00 0.00 H new ATOM 0 HA ASP A 30 13.662 7.652 -0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.164 9.050 0.431 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.172 8.724 1.838 1.00 0.00 H new ATOM 441 N ALA A 31 12.394 5.797 0.041 1.00 0.00 N ATOM 442 CA ALA A 31 11.577 4.703 0.560 1.00 0.00 C ATOM 443 C ALA A 31 11.974 4.345 1.984 1.00 0.00 C ATOM 444 O ALA A 31 11.118 4.013 2.812 1.00 0.00 O ATOM 445 CB ALA A 31 11.719 3.470 -0.327 1.00 0.00 C ATOM 0 H ALA A 31 12.930 5.564 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 31 10.540 5.038 0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.105 2.662 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.391 3.710 -1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.762 3.156 -0.349 1.00 0.00 H new ATOM 451 N ALA A 32 13.267 4.441 2.278 1.00 0.00 N ATOM 452 CA ALA A 32 13.765 4.123 3.607 1.00 0.00 C ATOM 453 C ALA A 32 13.188 5.051 4.660 1.00 0.00 C ATOM 454 O ALA A 32 13.186 4.722 5.847 1.00 0.00 O ATOM 455 CB ALA A 32 15.287 4.219 3.620 1.00 0.00 C ATOM 0 H ALA A 32 13.984 4.735 1.615 1.00 0.00 H new ATOM 0 HA ALA A 32 13.452 3.107 3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.658 3.980 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.702 3.514 2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.590 5.231 3.353 1.00 0.00 H new ATOM 461 N THR A 33 12.705 6.211 4.234 1.00 0.00 N ATOM 462 CA THR A 33 12.132 7.182 5.161 1.00 0.00 C ATOM 463 C THR A 33 10.779 7.658 4.671 1.00 0.00 C ATOM 464 O THR A 33 10.451 8.841 4.770 1.00 0.00 O ATOM 465 CB THR A 33 13.091 8.365 5.327 1.00 0.00 C ATOM 466 OG1 THR A 33 13.671 8.677 4.074 1.00 0.00 O ATOM 467 CG2 THR A 33 14.200 7.994 6.322 1.00 0.00 C ATOM 0 H THR A 33 12.698 6.503 3.257 1.00 0.00 H new ATOM 0 HA THR A 33 11.989 6.702 6.129 1.00 0.00 H new ATOM 0 HB THR A 33 12.541 9.228 5.703 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.284 9.435 4.177 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.881 8.837 6.439 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.756 7.750 7.287 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.751 7.131 5.948 1.00 0.00 H new ATOM 475 N ILE A 34 9.981 6.739 4.153 1.00 0.00 N ATOM 476 CA ILE A 34 8.657 7.126 3.682 1.00 0.00 C ATOM 477 C ILE A 34 7.706 7.316 4.857 1.00 0.00 C ATOM 478 O ILE A 34 7.352 8.439 5.221 1.00 0.00 O ATOM 479 CB ILE A 34 8.112 6.046 2.711 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.489 6.430 1.276 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.583 5.889 2.788 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.663 7.628 0.778 1.00 0.00 C ATOM 0 H ILE A 34 10.213 5.751 4.049 1.00 0.00 H new ATOM 0 HA ILE A 34 8.733 8.075 3.151 1.00 0.00 H new ATOM 0 HB ILE A 34 8.558 5.095 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.550 6.674 1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.330 5.577 0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.260 5.120 2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.297 5.600 3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.107 6.836 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.956 7.873 -0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.603 7.374 0.800 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.843 8.488 1.424 1.00 0.00 H new ATOM 494 N ALA A 35 7.275 6.206 5.427 1.00 0.00 N ATOM 495 CA ALA A 35 6.331 6.241 6.525 1.00 0.00 C ATOM 496 C ALA A 35 5.861 4.830 6.853 1.00 0.00 C ATOM 497 O ALA A 35 4.768 4.647 7.373 1.00 0.00 O ATOM 498 CB ALA A 35 5.115 7.123 6.153 1.00 0.00 C ATOM 0 H ALA A 35 7.565 5.269 5.147 1.00 0.00 H new ATOM 0 HA ALA A 35 6.825 6.666 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.411 7.142 6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.453 8.137 5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.623 6.711 5.272 1.00 0.00 H new ATOM 504 N THR A 36 6.664 3.821 6.522 1.00 0.00 N ATOM 505 CA THR A 36 6.282 2.435 6.790 1.00 0.00 C ATOM 506 C THR A 36 5.573 2.317 8.132 1.00 0.00 C ATOM 507 O THR A 36 4.569 1.615 8.241 1.00 0.00 O ATOM 508 CB THR A 36 7.541 1.569 6.823 1.00 0.00 C ATOM 509 OG1 THR A 36 8.209 1.781 8.059 1.00 0.00 O ATOM 510 CG2 THR A 36 8.469 1.961 5.672 1.00 0.00 C ATOM 0 H THR A 36 7.573 3.934 6.073 1.00 0.00 H new ATOM 0 HA THR A 36 5.605 2.103 6.003 1.00 0.00 H new ATOM 0 HB THR A 36 7.268 0.519 6.720 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.018 1.229 8.093 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.365 1.341 5.700 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.954 1.812 4.723 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.750 3.009 5.772 1.00 0.00 H new ATOM 518 N ASP A 37 6.089 2.999 9.157 1.00 0.00 N ATOM 519 CA ASP A 37 5.480 2.950 10.484 1.00 0.00 C ATOM 520 C ASP A 37 4.673 4.219 10.741 1.00 0.00 C ATOM 521 O ASP A 37 4.452 4.603 11.887 1.00 0.00 O ATOM 522 CB ASP A 37 6.576 2.830 11.533 1.00 0.00 C ATOM 523 CG ASP A 37 5.959 2.578 12.901 1.00 0.00 C ATOM 524 OD1 ASP A 37 4.742 2.555 12.984 1.00 0.00 O ATOM 525 OD2 ASP A 37 6.710 2.411 13.846 1.00 0.00 O ATOM 0 H ASP A 37 6.920 3.587 9.093 1.00 0.00 H new ATOM 0 HA ASP A 37 4.814 2.089 10.539 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.252 2.015 11.274 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.171 3.743 11.556 1.00 0.00 H new ATOM 530 N LEU A 38 4.235 4.869 9.669 1.00 0.00 N ATOM 531 CA LEU A 38 3.450 6.096 9.789 1.00 0.00 C ATOM 532 C LEU A 38 2.319 6.115 8.759 1.00 0.00 C ATOM 533 O LEU A 38 2.438 5.530 7.679 1.00 0.00 O ATOM 534 CB LEU A 38 4.355 7.324 9.581 1.00 0.00 C ATOM 535 CG LEU A 38 5.111 7.643 10.881 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.404 8.383 10.552 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.242 8.512 11.794 1.00 0.00 C ATOM 0 H LEU A 38 4.408 4.570 8.709 1.00 0.00 H new ATOM 0 HA LEU A 38 3.017 6.129 10.789 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.064 7.132 8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.755 8.182 9.279 1.00 0.00 H new ATOM 0 HG LEU A 38 5.345 6.710 11.394 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.939 8.609 11.475 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.029 7.758 9.914 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.169 9.312 10.032 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.786 8.733 12.712 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.997 9.444 11.284 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.323 7.979 12.036 1.00 0.00 H new ATOM 549 N PRO A 39 1.237 6.786 9.070 1.00 0.00 N ATOM 550 CA PRO A 39 0.069 6.897 8.154 1.00 0.00 C ATOM 551 C PRO A 39 0.408 7.689 6.892 1.00 0.00 C ATOM 552 O PRO A 39 1.493 8.262 6.771 1.00 0.00 O ATOM 553 CB PRO A 39 -0.995 7.623 9.004 1.00 0.00 C ATOM 554 CG PRO A 39 -0.222 8.361 10.049 1.00 0.00 C ATOM 555 CD PRO A 39 1.005 7.507 10.333 1.00 0.00 C ATOM 0 HA PRO A 39 -0.268 5.926 7.792 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.587 8.307 8.395 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.690 6.915 9.455 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.064 9.352 9.698 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.818 8.502 10.951 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.864 8.120 10.606 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.829 6.818 11.159 1.00 0.00 H new ATOM 563 N LEU A 40 -0.533 7.716 5.962 1.00 0.00 N ATOM 564 CA LEU A 40 -0.350 8.449 4.717 1.00 0.00 C ATOM 565 C LEU A 40 -0.468 9.950 4.952 1.00 0.00 C ATOM 566 O LEU A 40 0.044 10.754 4.173 1.00 0.00 O ATOM 567 CB LEU A 40 -1.390 7.995 3.677 1.00 0.00 C ATOM 568 CG LEU A 40 -2.788 8.525 4.042 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.777 8.174 2.935 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.244 7.906 5.367 1.00 0.00 C ATOM 0 H LEU A 40 -1.431 7.240 6.044 1.00 0.00 H new ATOM 0 HA LEU A 40 0.650 8.237 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.105 8.355 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.410 6.906 3.626 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.746 9.609 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.766 8.551 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.452 8.628 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.821 7.091 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.234 8.283 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.283 6.821 5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.539 8.173 6.155 1.00 0.00 H new ATOM 582 N THR A 41 -1.155 10.320 6.027 1.00 0.00 N ATOM 583 CA THR A 41 -1.357 11.722 6.344 1.00 0.00 C ATOM 584 C THR A 41 -0.032 12.451 6.389 1.00 0.00 C ATOM 585 O THR A 41 0.040 13.626 6.041 1.00 0.00 O ATOM 586 CB THR A 41 -2.059 11.865 7.692 1.00 0.00 C ATOM 587 OG1 THR A 41 -1.358 11.106 8.665 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.499 11.362 7.583 1.00 0.00 C ATOM 0 H THR A 41 -1.578 9.669 6.689 1.00 0.00 H new ATOM 0 HA THR A 41 -1.980 12.160 5.564 1.00 0.00 H new ATOM 0 HB THR A 41 -2.072 12.914 7.987 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.804 11.196 9.533 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.995 11.467 8.548 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.033 11.948 6.835 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.497 10.313 7.288 1.00 0.00 H new ATOM 596 N SER A 42 1.016 11.758 6.827 1.00 0.00 N ATOM 597 CA SER A 42 2.337 12.364 6.919 1.00 0.00 C ATOM 598 C SER A 42 2.669 13.136 5.642 1.00 0.00 C ATOM 599 O SER A 42 3.358 14.154 5.686 1.00 0.00 O ATOM 600 CB SER A 42 3.387 11.268 7.139 1.00 0.00 C ATOM 601 OG SER A 42 4.681 11.806 6.894 1.00 0.00 O ATOM 0 H SER A 42 0.975 10.782 7.122 1.00 0.00 H new ATOM 0 HA SER A 42 2.343 13.060 7.758 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.325 10.887 8.159 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.197 10.427 6.473 1.00 0.00 H new ATOM 0 HG SER A 42 5.357 11.110 7.035 1.00 0.00 H new ATOM 607 N TYR A 43 2.177 12.652 4.507 1.00 0.00 N ATOM 608 CA TYR A 43 2.434 13.309 3.228 1.00 0.00 C ATOM 609 C TYR A 43 1.670 14.621 3.132 1.00 0.00 C ATOM 610 O TYR A 43 1.848 15.385 2.183 1.00 0.00 O ATOM 611 CB TYR A 43 2.017 12.373 2.086 1.00 0.00 C ATOM 612 CG TYR A 43 2.467 10.956 2.374 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.708 10.711 2.985 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.640 9.881 2.025 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.113 9.406 3.242 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.054 8.572 2.284 1.00 0.00 C ATOM 617 CZ TYR A 43 3.287 8.337 2.894 1.00 0.00 C ATOM 618 OH TYR A 43 3.694 7.046 3.147 1.00 0.00 O ATOM 0 H TYR A 43 1.601 11.812 4.445 1.00 0.00 H new ATOM 0 HA TYR A 43 3.499 13.530 3.152 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.934 12.400 1.962 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.453 12.716 1.148 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.348 11.538 3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.684 10.064 1.557 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.068 9.220 3.711 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.419 7.741 2.012 1.00 0.00 H new ATOM 0 HH TYR A 43 3.075 6.418 2.719 1.00 0.00 H new ATOM 628 N GLY A 44 0.843 14.890 4.125 1.00 0.00 N ATOM 629 CA GLY A 44 0.087 16.131 4.153 1.00 0.00 C ATOM 630 C GLY A 44 -0.847 16.220 2.959 1.00 0.00 C ATOM 631 O GLY A 44 -1.269 17.307 2.567 1.00 0.00 O ATOM 0 H GLY A 44 0.677 14.271 4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.489 16.190 5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.771 16.979 4.149 1.00 0.00 H new ATOM 635 N LEU A 45 -1.159 15.073 2.376 1.00 0.00 N ATOM 636 CA LEU A 45 -2.041 15.033 1.221 1.00 0.00 C ATOM 637 C LEU A 45 -3.489 15.382 1.591 1.00 0.00 C ATOM 638 O LEU A 45 -4.013 14.953 2.617 1.00 0.00 O ATOM 639 CB LEU A 45 -1.993 13.634 0.585 1.00 0.00 C ATOM 640 CG LEU A 45 -2.815 12.624 1.420 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.746 11.243 0.780 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.244 12.553 2.842 1.00 0.00 C ATOM 0 H LEU A 45 -0.817 14.162 2.682 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.692 15.782 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.385 13.678 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.959 13.297 0.513 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.854 12.952 1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.327 10.537 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.153 11.289 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.708 10.913 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.823 11.842 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.204 12.229 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.299 13.538 3.306 1.00 0.00 H new ATOM 654 N ASP A 46 -4.136 16.163 0.750 1.00 0.00 N ATOM 655 CA ASP A 46 -5.519 16.536 1.008 1.00 0.00 C ATOM 656 C ASP A 46 -6.425 15.305 0.925 1.00 0.00 C ATOM 657 O ASP A 46 -5.999 14.240 0.479 1.00 0.00 O ATOM 658 CB ASP A 46 -5.974 17.575 -0.009 1.00 0.00 C ATOM 659 CG ASP A 46 -7.277 18.217 0.451 1.00 0.00 C ATOM 660 OD1 ASP A 46 -7.686 17.950 1.569 1.00 0.00 O ATOM 661 OD2 ASP A 46 -7.848 18.968 -0.322 1.00 0.00 O ATOM 0 H ASP A 46 -3.738 16.549 -0.106 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.586 16.958 2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.206 18.338 -0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.114 17.106 -0.983 1.00 0.00 H new ATOM 666 N SER A 47 -7.674 15.457 1.360 1.00 0.00 N ATOM 667 CA SER A 47 -8.629 14.353 1.328 1.00 0.00 C ATOM 668 C SER A 47 -8.940 13.946 -0.109 1.00 0.00 C ATOM 669 O SER A 47 -9.153 12.769 -0.399 1.00 0.00 O ATOM 670 CB SER A 47 -9.921 14.769 2.030 1.00 0.00 C ATOM 671 OG SER A 47 -10.464 15.910 1.378 1.00 0.00 O ATOM 0 H SER A 47 -8.046 16.329 1.737 1.00 0.00 H new ATOM 0 HA SER A 47 -8.187 13.501 1.844 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.639 13.949 2.011 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.723 14.995 3.078 1.00 0.00 H new ATOM 0 HG SER A 47 -11.294 16.178 1.825 1.00 0.00 H new ATOM 677 N VAL A 48 -8.959 14.927 -1.002 1.00 0.00 N ATOM 678 CA VAL A 48 -9.241 14.667 -2.408 1.00 0.00 C ATOM 679 C VAL A 48 -8.096 13.895 -3.052 1.00 0.00 C ATOM 680 O VAL A 48 -8.278 13.216 -4.062 1.00 0.00 O ATOM 681 CB VAL A 48 -9.459 15.984 -3.157 1.00 0.00 C ATOM 682 CG1 VAL A 48 -10.753 16.638 -2.669 1.00 0.00 C ATOM 683 CG2 VAL A 48 -8.283 16.924 -2.888 1.00 0.00 C ATOM 0 H VAL A 48 -8.783 15.907 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.148 14.066 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.530 15.786 -4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.910 17.576 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.593 15.969 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.680 16.836 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.438 17.862 -3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.213 17.122 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.359 16.459 -3.232 1.00 0.00 H new ATOM 693 N TYR A 49 -6.914 14.015 -2.468 1.00 0.00 N ATOM 694 CA TYR A 49 -5.746 13.331 -3.007 1.00 0.00 C ATOM 695 C TYR A 49 -5.947 11.817 -2.986 1.00 0.00 C ATOM 696 O TYR A 49 -5.777 11.144 -4.000 1.00 0.00 O ATOM 697 CB TYR A 49 -4.493 13.696 -2.177 1.00 0.00 C ATOM 698 CG TYR A 49 -3.296 13.867 -3.084 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.306 14.862 -4.063 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.183 13.029 -2.949 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.206 15.019 -4.912 1.00 0.00 C ATOM 702 CE2 TYR A 49 -1.083 13.185 -3.791 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.094 14.179 -4.777 1.00 0.00 C ATOM 704 OH TYR A 49 -0.010 14.333 -5.616 1.00 0.00 O ATOM 0 H TYR A 49 -6.737 14.572 -1.632 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.608 13.652 -4.040 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.672 14.617 -1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.294 12.915 -1.444 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.163 15.511 -4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.176 12.260 -2.191 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.214 15.787 -5.671 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.224 12.540 -3.683 1.00 0.00 H new ATOM 0 HH TYR A 49 0.676 13.672 -5.388 1.00 0.00 H new ATOM 714 N ALA A 50 -6.312 11.289 -1.824 1.00 0.00 N ATOM 715 CA ALA A 50 -6.514 9.857 -1.683 1.00 0.00 C ATOM 716 C ALA A 50 -7.322 9.330 -2.845 1.00 0.00 C ATOM 717 O ALA A 50 -7.107 8.217 -3.318 1.00 0.00 O ATOM 718 CB ALA A 50 -7.247 9.559 -0.372 1.00 0.00 C ATOM 0 H ALA A 50 -6.473 11.828 -0.973 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.541 9.365 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.395 8.483 -0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.654 9.922 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.215 10.059 -0.375 1.00 0.00 H new ATOM 724 N LEU A 51 -8.257 10.131 -3.301 1.00 0.00 N ATOM 725 CA LEU A 51 -9.095 9.704 -4.396 1.00 0.00 C ATOM 726 C LEU A 51 -8.257 9.196 -5.564 1.00 0.00 C ATOM 727 O LEU A 51 -8.327 8.018 -5.923 1.00 0.00 O ATOM 728 CB LEU A 51 -9.983 10.872 -4.880 1.00 0.00 C ATOM 729 CG LEU A 51 -11.104 10.385 -5.824 1.00 0.00 C ATOM 730 CD1 LEU A 51 -10.512 9.855 -7.151 1.00 0.00 C ATOM 731 CD2 LEU A 51 -11.946 9.294 -5.128 1.00 0.00 C ATOM 0 H LEU A 51 -8.454 11.064 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.724 8.891 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.425 11.374 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.367 11.608 -5.396 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.752 11.229 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.320 9.517 -7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.957 10.652 -7.646 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.841 9.021 -6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.734 8.957 -5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.306 8.451 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.394 9.703 -4.222 1.00 0.00 H new ATOM 743 N SER A 52 -7.468 10.083 -6.156 1.00 0.00 N ATOM 744 CA SER A 52 -6.650 9.709 -7.291 1.00 0.00 C ATOM 745 C SER A 52 -5.616 8.677 -6.892 1.00 0.00 C ATOM 746 O SER A 52 -5.420 7.683 -7.586 1.00 0.00 O ATOM 747 CB SER A 52 -5.955 10.947 -7.830 1.00 0.00 C ATOM 748 OG SER A 52 -5.227 10.607 -9.004 1.00 0.00 O ATOM 0 H SER A 52 -7.380 11.058 -5.869 1.00 0.00 H new ATOM 0 HA SER A 52 -7.289 9.274 -8.059 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.689 11.721 -8.055 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.282 11.356 -7.077 1.00 0.00 H new ATOM 0 HG SER A 52 -4.779 11.405 -9.354 1.00 0.00 H new ATOM 754 N ILE A 53 -4.953 8.917 -5.772 1.00 0.00 N ATOM 755 CA ILE A 53 -3.930 7.997 -5.302 1.00 0.00 C ATOM 756 C ILE A 53 -4.528 6.627 -5.022 1.00 0.00 C ATOM 757 O ILE A 53 -4.192 5.645 -5.678 1.00 0.00 O ATOM 758 CB ILE A 53 -3.294 8.540 -4.026 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.804 9.967 -4.275 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.115 7.656 -3.601 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.759 10.011 -5.392 1.00 0.00 C ATOM 0 H ILE A 53 -5.102 9.732 -5.177 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.172 7.899 -6.079 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.037 8.539 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.649 10.603 -4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.376 10.372 -3.358 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.671 8.055 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.468 6.641 -3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.366 7.642 -4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.432 11.040 -5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.904 9.395 -5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.196 9.630 -6.315 1.00 0.00 H new ATOM 773 N ALA A 54 -5.432 6.565 -4.055 1.00 0.00 N ATOM 774 CA ALA A 54 -6.059 5.301 -3.702 1.00 0.00 C ATOM 775 C ALA A 54 -6.498 4.553 -4.948 1.00 0.00 C ATOM 776 O ALA A 54 -6.380 3.331 -5.011 1.00 0.00 O ATOM 777 CB ALA A 54 -7.272 5.551 -2.808 1.00 0.00 C ATOM 0 H ALA A 54 -5.745 7.366 -3.506 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.328 4.696 -3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.735 4.599 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.955 6.060 -1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.993 6.173 -3.339 1.00 0.00 H new ATOM 783 N ALA A 55 -6.988 5.292 -5.942 1.00 0.00 N ATOM 784 CA ALA A 55 -7.426 4.677 -7.188 1.00 0.00 C ATOM 785 C ALA A 55 -6.247 4.055 -7.929 1.00 0.00 C ATOM 786 O ALA A 55 -6.313 2.921 -8.365 1.00 0.00 O ATOM 787 CB ALA A 55 -8.089 5.721 -8.080 1.00 0.00 C ATOM 0 H ALA A 55 -7.090 6.306 -5.908 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.143 3.893 -6.946 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.413 5.253 -9.009 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.952 6.143 -7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.376 6.514 -8.303 1.00 0.00 H new ATOM 793 N GLU A 56 -5.170 4.807 -8.076 1.00 0.00 N ATOM 794 CA GLU A 56 -3.994 4.300 -8.782 1.00 0.00 C ATOM 795 C GLU A 56 -3.384 3.092 -8.056 1.00 0.00 C ATOM 796 O GLU A 56 -3.100 2.044 -8.663 1.00 0.00 O ATOM 797 CB GLU A 56 -2.946 5.413 -8.883 1.00 0.00 C ATOM 798 CG GLU A 56 -3.434 6.500 -9.843 1.00 0.00 C ATOM 799 CD GLU A 56 -2.440 7.658 -9.872 1.00 0.00 C ATOM 800 OE1 GLU A 56 -1.443 7.576 -9.173 1.00 0.00 O ATOM 801 OE2 GLU A 56 -2.690 8.610 -10.593 1.00 0.00 O ATOM 0 H GLU A 56 -5.080 5.760 -7.723 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.304 3.980 -9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.761 5.841 -7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.999 5.003 -9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.551 6.086 -10.844 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.414 6.859 -9.530 1.00 0.00 H new ATOM 808 N LEU A 57 -3.192 3.240 -6.752 1.00 0.00 N ATOM 809 CA LEU A 57 -2.612 2.169 -5.948 1.00 0.00 C ATOM 810 C LEU A 57 -3.420 0.899 -6.106 1.00 0.00 C ATOM 811 O LEU A 57 -2.906 -0.099 -6.568 1.00 0.00 O ATOM 812 CB LEU A 57 -2.580 2.583 -4.468 1.00 0.00 C ATOM 813 CG LEU A 57 -1.311 3.404 -4.184 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.282 4.655 -5.052 1.00 0.00 C ATOM 815 CD2 LEU A 57 -1.288 3.805 -2.711 1.00 0.00 C ATOM 0 H LEU A 57 -3.427 4.084 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.594 1.986 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.466 3.170 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.601 1.698 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.437 2.796 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.378 5.225 -4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.291 4.368 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.157 5.268 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.390 4.387 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.169 4.405 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.289 2.909 -2.090 1.00 0.00 H new ATOM 827 N GLU A 58 -4.673 0.943 -5.710 1.00 0.00 N ATOM 828 CA GLU A 58 -5.523 -0.239 -5.803 1.00 0.00 C ATOM 829 C GLU A 58 -5.666 -0.721 -7.241 1.00 0.00 C ATOM 830 O GLU A 58 -5.730 -1.925 -7.498 1.00 0.00 O ATOM 831 CB GLU A 58 -6.898 0.075 -5.240 1.00 0.00 C ATOM 832 CG GLU A 58 -7.593 1.156 -6.087 1.00 0.00 C ATOM 833 CD GLU A 58 -8.507 0.533 -7.144 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.225 -0.571 -7.573 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.471 1.182 -7.519 1.00 0.00 O ATOM 0 H GLU A 58 -5.128 1.770 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.051 -1.033 -5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.506 -0.829 -5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.806 0.416 -4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.176 1.810 -5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.842 1.778 -6.574 1.00 0.00 H new ATOM 842 N ASP A 59 -5.729 0.221 -8.172 1.00 0.00 N ATOM 843 CA ASP A 59 -5.881 -0.123 -9.584 1.00 0.00 C ATOM 844 C ASP A 59 -4.728 -1.005 -10.038 1.00 0.00 C ATOM 845 O ASP A 59 -4.848 -1.739 -11.016 1.00 0.00 O ATOM 846 CB ASP A 59 -5.918 1.153 -10.437 1.00 0.00 C ATOM 847 CG ASP A 59 -7.311 1.787 -10.408 1.00 0.00 C ATOM 848 OD1 ASP A 59 -8.243 1.119 -9.988 1.00 0.00 O ATOM 849 OD2 ASP A 59 -7.422 2.938 -10.801 1.00 0.00 O ATOM 0 H ASP A 59 -5.678 1.222 -7.980 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.817 -0.667 -9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.182 1.866 -10.065 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.643 0.917 -11.465 1.00 0.00 H new ATOM 854 N HIS A 60 -3.619 -0.940 -9.319 1.00 0.00 N ATOM 855 CA HIS A 60 -2.459 -1.766 -9.666 1.00 0.00 C ATOM 856 C HIS A 60 -2.644 -3.204 -9.162 1.00 0.00 C ATOM 857 O HIS A 60 -2.190 -4.157 -9.795 1.00 0.00 O ATOM 858 CB HIS A 60 -1.177 -1.141 -9.078 1.00 0.00 C ATOM 859 CG HIS A 60 -0.552 -0.228 -10.078 1.00 0.00 C ATOM 860 ND1 HIS A 60 -1.139 0.969 -10.441 1.00 0.00 N ATOM 861 CD2 HIS A 60 0.605 -0.321 -10.793 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.335 1.549 -11.344 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.745 0.802 -11.596 1.00 0.00 N ATOM 0 H HIS A 60 -3.491 -0.338 -8.505 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.366 -1.803 -10.751 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.415 -0.590 -8.168 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.474 -1.926 -8.800 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.020 1.342 -10.088 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.305 -1.142 -10.742 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.535 2.502 -11.810 1.00 0.00 H new ATOM 872 N LEU A 61 -3.309 -3.353 -8.022 1.00 0.00 N ATOM 873 CA LEU A 61 -3.541 -4.677 -7.436 1.00 0.00 C ATOM 874 C LEU A 61 -4.941 -5.152 -7.741 1.00 0.00 C ATOM 875 O LEU A 61 -5.434 -6.081 -7.111 1.00 0.00 O ATOM 876 CB LEU A 61 -3.316 -4.635 -5.914 1.00 0.00 C ATOM 877 CG LEU A 61 -1.970 -3.972 -5.586 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.859 -4.590 -6.444 1.00 0.00 C ATOM 879 CD2 LEU A 61 -2.063 -2.459 -5.849 1.00 0.00 C ATOM 0 H LEU A 61 -3.698 -2.579 -7.483 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.832 -5.378 -7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.126 -4.083 -5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.338 -5.647 -5.509 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.733 -4.138 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.092 -4.114 -6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.792 -5.658 -6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.086 -4.437 -7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.107 -1.990 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.306 -2.286 -6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.842 -2.028 -5.220 1.00 0.00 H new ATOM 891 N ASP A 62 -5.568 -4.530 -8.734 1.00 0.00 N ATOM 892 CA ASP A 62 -6.910 -4.924 -9.141 1.00 0.00 C ATOM 893 C ASP A 62 -7.788 -5.225 -7.935 1.00 0.00 C ATOM 894 O ASP A 62 -8.219 -6.362 -7.748 1.00 0.00 O ATOM 895 CB ASP A 62 -6.834 -6.159 -10.009 1.00 0.00 C ATOM 896 CG ASP A 62 -6.244 -5.801 -11.380 1.00 0.00 C ATOM 897 OD1 ASP A 62 -6.165 -4.618 -11.678 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.883 -6.710 -12.112 1.00 0.00 O ATOM 0 H ASP A 62 -5.171 -3.757 -9.268 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.350 -4.095 -9.695 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.217 -6.916 -9.525 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.828 -6.589 -10.133 1.00 0.00 H new ATOM 903 N VAL A 63 -8.039 -4.209 -7.126 1.00 0.00 N ATOM 904 CA VAL A 63 -8.858 -4.369 -5.926 1.00 0.00 C ATOM 905 C VAL A 63 -9.670 -3.110 -5.666 1.00 0.00 C ATOM 906 O VAL A 63 -9.280 -2.020 -6.066 1.00 0.00 O ATOM 907 CB VAL A 63 -7.950 -4.665 -4.717 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.572 -6.137 -4.704 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.665 -3.836 -4.809 1.00 0.00 C ATOM 0 H VAL A 63 -7.689 -3.262 -7.275 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.546 -5.201 -6.076 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.492 -4.409 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.930 -6.340 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.475 -6.744 -4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.040 -6.384 -5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.030 -4.052 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.133 -4.090 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.916 -2.775 -4.817 1.00 0.00 H new ATOM 919 N SER A 64 -10.809 -3.269 -5.003 1.00 0.00 N ATOM 920 CA SER A 64 -11.681 -2.138 -4.700 1.00 0.00 C ATOM 921 C SER A 64 -11.590 -1.797 -3.225 1.00 0.00 C ATOM 922 O SER A 64 -11.800 -2.655 -2.367 1.00 0.00 O ATOM 923 CB SER A 64 -13.120 -2.489 -5.047 1.00 0.00 C ATOM 924 OG SER A 64 -13.260 -2.556 -6.463 1.00 0.00 O ATOM 0 H SER A 64 -11.151 -4.168 -4.665 1.00 0.00 H new ATOM 0 HA SER A 64 -11.363 -1.279 -5.291 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.392 -3.444 -4.598 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.798 -1.740 -4.638 1.00 0.00 H new ATOM 0 HG SER A 64 -14.186 -2.784 -6.690 1.00 0.00 H new ATOM 930 N LEU A 65 -11.262 -0.543 -2.936 1.00 0.00 N ATOM 931 CA LEU A 65 -11.124 -0.086 -1.553 1.00 0.00 C ATOM 932 C LEU A 65 -12.295 0.785 -1.173 1.00 0.00 C ATOM 933 O LEU A 65 -12.924 1.403 -2.035 1.00 0.00 O ATOM 934 CB LEU A 65 -9.824 0.696 -1.387 1.00 0.00 C ATOM 935 CG LEU A 65 -8.644 -0.279 -1.418 1.00 0.00 C ATOM 936 CD1 LEU A 65 -8.521 -0.933 -2.792 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.352 0.485 -1.079 1.00 0.00 C ATOM 0 H LEU A 65 -11.086 0.176 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.103 -0.957 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.724 1.432 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.833 1.245 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.811 -1.066 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.676 -1.622 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.436 -1.480 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.362 -0.164 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.507 -0.203 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.194 1.276 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.439 0.924 -0.085 1.00 0.00 H new ATOM 949 N ASP A 66 -12.599 0.825 0.123 1.00 0.00 N ATOM 950 CA ASP A 66 -13.723 1.617 0.599 1.00 0.00 C ATOM 951 C ASP A 66 -13.255 2.975 1.138 1.00 0.00 C ATOM 952 O ASP A 66 -12.131 3.104 1.618 1.00 0.00 O ATOM 953 CB ASP A 66 -14.478 0.838 1.698 1.00 0.00 C ATOM 954 CG ASP A 66 -15.835 0.353 1.175 1.00 0.00 C ATOM 955 OD1 ASP A 66 -16.541 1.154 0.580 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.144 -0.809 1.376 1.00 0.00 O ATOM 0 H ASP A 66 -12.089 0.325 0.851 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.394 1.803 -0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.881 -0.014 2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.624 1.476 2.569 1.00 0.00 H new ATOM 961 N PRO A 67 -14.099 3.978 1.092 1.00 0.00 N ATOM 962 CA PRO A 67 -13.752 5.337 1.610 1.00 0.00 C ATOM 963 C PRO A 67 -13.295 5.311 3.074 1.00 0.00 C ATOM 964 O PRO A 67 -12.138 5.599 3.384 1.00 0.00 O ATOM 965 CB PRO A 67 -15.067 6.131 1.462 1.00 0.00 C ATOM 966 CG PRO A 67 -15.862 5.399 0.430 1.00 0.00 C ATOM 967 CD PRO A 67 -15.469 3.936 0.545 1.00 0.00 C ATOM 0 HA PRO A 67 -12.915 5.775 1.065 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.604 6.180 2.409 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.873 7.158 1.152 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.931 5.529 0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -15.649 5.781 -0.568 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.146 3.391 1.204 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.497 3.437 -0.424 1.00 0.00 H new ATOM 975 N THR A 68 -14.215 4.970 3.968 1.00 0.00 N ATOM 976 CA THR A 68 -13.906 4.924 5.392 1.00 0.00 C ATOM 977 C THR A 68 -12.874 3.844 5.678 1.00 0.00 C ATOM 978 O THR A 68 -12.202 3.869 6.709 1.00 0.00 O ATOM 979 CB THR A 68 -15.178 4.645 6.196 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.725 3.397 5.794 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.202 5.754 5.946 1.00 0.00 C ATOM 0 H THR A 68 -15.176 4.722 3.734 1.00 0.00 H new ATOM 0 HA THR A 68 -13.497 5.890 5.688 1.00 0.00 H new ATOM 0 HB THR A 68 -14.934 4.614 7.258 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.539 3.215 6.309 1.00 0.00 H new ATOM 0 HG21 THR A 68 -17.106 5.551 6.520 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.783 6.712 6.255 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.447 5.790 4.885 1.00 0.00 H new ATOM 989 N LEU A 69 -12.744 2.906 4.753 1.00 0.00 N ATOM 990 CA LEU A 69 -11.775 1.830 4.908 1.00 0.00 C ATOM 991 C LEU A 69 -10.348 2.356 4.738 1.00 0.00 C ATOM 992 O LEU A 69 -9.446 2.009 5.491 1.00 0.00 O ATOM 993 CB LEU A 69 -12.067 0.727 3.889 1.00 0.00 C ATOM 994 CG LEU A 69 -11.069 -0.433 4.078 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.655 -1.701 3.455 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.692 -0.103 3.434 1.00 0.00 C ATOM 0 H LEU A 69 -13.292 2.867 3.893 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.862 1.419 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.088 0.365 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.990 1.124 2.877 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.905 -0.586 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.955 -2.527 3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.598 -1.945 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.830 -1.537 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.010 -0.940 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.822 0.072 2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.277 0.791 3.900 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.148 3.205 3.750 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.825 3.764 3.506 1.00 0.00 C ATOM 1010 C ILE A 70 -8.288 4.418 4.773 1.00 0.00 C ATOM 1011 O ILE A 70 -7.088 4.369 5.049 1.00 0.00 O ATOM 1012 CB ILE A 70 -8.898 4.792 2.374 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.177 4.074 1.042 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.569 5.549 2.274 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.726 5.075 0.020 1.00 0.00 C ATOM 0 H ILE A 70 -10.873 3.523 3.107 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.149 2.960 3.215 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.702 5.498 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.261 3.619 0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.893 3.267 1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.626 6.279 1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.371 6.063 3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.763 4.844 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.922 4.563 -0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.652 5.509 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.995 5.867 -0.143 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.182 5.030 5.539 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.786 5.688 6.776 1.00 0.00 C ATOM 1029 C TRP A 71 -8.631 4.667 7.898 1.00 0.00 C ATOM 1030 O TRP A 71 -8.204 5.011 9.000 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.830 6.734 7.170 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.813 7.853 6.178 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.804 8.127 5.299 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.770 8.842 5.941 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.439 9.227 4.543 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.193 9.703 4.901 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.511 9.077 6.525 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.396 10.758 4.454 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.707 10.137 6.078 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.149 10.976 5.044 1.00 0.00 C ATOM 0 H TRP A 71 -10.178 5.084 5.327 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.827 6.180 6.614 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.820 6.280 7.205 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.619 7.116 8.169 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.729 7.577 5.203 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.019 9.636 3.811 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.161 8.438 7.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.741 11.401 3.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.742 10.308 6.533 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.525 11.790 4.705 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.983 3.408 7.612 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.877 2.340 8.609 1.00 0.00 C ATOM 1053 C ASP A 72 -7.513 1.668 8.522 1.00 0.00 C ATOM 1054 O ASP A 72 -6.949 1.256 9.534 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.974 1.299 8.393 1.00 0.00 C ATOM 1056 CG ASP A 72 -11.333 1.933 8.666 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -11.363 2.964 9.319 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -12.323 1.377 8.223 1.00 0.00 O ATOM 0 H ASP A 72 -9.341 3.107 6.706 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.995 2.783 9.598 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.935 0.920 7.372 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.818 0.447 9.055 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.981 1.579 7.300 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.664 0.972 7.072 1.00 0.00 C ATOM 1065 C HIS A 73 -4.709 1.977 6.422 1.00 0.00 C ATOM 1066 O HIS A 73 -4.126 1.703 5.374 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.817 -0.252 6.167 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.979 -1.079 6.633 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.358 -1.143 7.963 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.861 -1.875 5.951 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.428 -1.954 8.039 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.775 -2.429 6.839 1.00 0.00 N ATOM 0 H HIS A 73 -7.440 1.918 6.454 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.247 0.671 8.033 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.972 0.063 5.135 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.904 -0.847 6.185 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.908 -0.663 8.742 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.848 -2.046 4.885 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.944 -2.192 8.957 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.538 3.127 7.030 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.634 4.194 6.512 1.00 0.00 C ATOM 1083 C PRO A 74 -2.166 3.834 6.687 1.00 0.00 C ATOM 1084 O PRO A 74 -1.288 4.588 6.283 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.999 5.416 7.368 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.517 4.849 8.650 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.202 3.540 8.275 1.00 0.00 C ATOM 0 HA PRO A 74 -3.761 4.358 5.442 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.130 6.051 7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.752 6.032 6.876 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.706 4.678 9.358 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.217 5.535 9.127 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.083 2.790 9.057 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.273 3.679 8.128 1.00 0.00 H new ATOM 1095 N THR A 75 -1.913 2.679 7.286 1.00 0.00 N ATOM 1096 CA THR A 75 -0.539 2.222 7.518 1.00 0.00 C ATOM 1097 C THR A 75 -0.209 1.032 6.625 1.00 0.00 C ATOM 1098 O THR A 75 -1.082 0.246 6.254 1.00 0.00 O ATOM 1099 CB THR A 75 -0.365 1.828 8.994 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.531 1.144 9.432 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.154 3.085 9.847 1.00 0.00 C ATOM 0 H THR A 75 -2.634 2.040 7.621 1.00 0.00 H new ATOM 0 HA THR A 75 0.143 3.037 7.276 1.00 0.00 H new ATOM 0 HB THR A 75 0.504 1.179 9.098 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.426 0.888 10.372 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.031 2.799 10.892 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.739 3.610 9.507 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.019 3.741 9.749 1.00 0.00 H new ATOM 1109 N ILE A 76 1.067 0.913 6.294 1.00 0.00 N ATOM 1110 CA ILE A 76 1.525 -0.179 5.448 1.00 0.00 C ATOM 1111 C ILE A 76 1.300 -1.510 6.152 1.00 0.00 C ATOM 1112 O ILE A 76 0.880 -2.482 5.532 1.00 0.00 O ATOM 1113 CB ILE A 76 3.016 -0.020 5.114 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.203 1.220 4.220 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.534 -1.266 4.364 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.652 1.307 3.703 1.00 0.00 C ATOM 0 H ILE A 76 1.800 1.554 6.596 1.00 0.00 H new ATOM 0 HA ILE A 76 0.954 -0.156 4.520 1.00 0.00 H new ATOM 0 HB ILE A 76 3.577 0.095 6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.513 1.174 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.958 2.121 4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.592 -1.139 4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.402 -2.148 4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.974 -1.392 3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.761 2.190 3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.336 1.377 4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.885 0.416 3.121 1.00 0.00 H new ATOM 1128 N ASP A 77 1.606 -1.553 7.440 1.00 0.00 N ATOM 1129 CA ASP A 77 1.455 -2.786 8.200 1.00 0.00 C ATOM 1130 C ASP A 77 0.047 -3.340 8.040 1.00 0.00 C ATOM 1131 O ASP A 77 -0.139 -4.527 7.754 1.00 0.00 O ATOM 1132 CB ASP A 77 1.731 -2.513 9.679 1.00 0.00 C ATOM 1133 CG ASP A 77 1.563 -3.793 10.489 1.00 0.00 C ATOM 1134 OD1 ASP A 77 2.365 -4.695 10.312 1.00 0.00 O ATOM 1135 OD2 ASP A 77 0.632 -3.853 11.277 1.00 0.00 O ATOM 0 H ASP A 77 1.956 -0.759 7.976 1.00 0.00 H new ATOM 0 HA ASP A 77 2.167 -3.520 7.822 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.742 -2.126 9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.049 -1.747 10.049 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.948 -2.475 8.218 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.333 -2.894 8.085 1.00 0.00 C ATOM 1142 C ALA A 78 -2.652 -3.222 6.637 1.00 0.00 C ATOM 1143 O ALA A 78 -3.271 -4.243 6.340 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.264 -1.780 8.579 1.00 0.00 C ATOM 0 H ALA A 78 -0.820 -1.491 8.452 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.485 -3.788 8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.301 -2.100 8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.052 -1.566 9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.102 -0.880 7.985 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.247 -2.340 5.735 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.535 -2.544 4.330 1.00 0.00 C ATOM 1152 C LEU A 79 -1.884 -3.833 3.834 1.00 0.00 C ATOM 1153 O LEU A 79 -2.504 -4.624 3.123 1.00 0.00 O ATOM 1154 CB LEU A 79 -2.013 -1.347 3.507 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.942 -1.072 2.305 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.191 -2.365 1.498 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.292 -0.496 2.810 1.00 0.00 C ATOM 0 H LEU A 79 -1.726 -1.490 5.949 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.615 -2.625 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.955 -0.461 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.003 -1.554 3.154 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.459 -0.347 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.848 -2.148 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.241 -2.751 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.659 -3.110 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.946 -0.303 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.767 -1.215 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.112 0.435 3.348 1.00 0.00 H new ATOM 1169 N SER A 80 -0.630 -4.030 4.211 1.00 0.00 N ATOM 1170 CA SER A 80 0.100 -5.215 3.792 1.00 0.00 C ATOM 1171 C SER A 80 -0.609 -6.466 4.286 1.00 0.00 C ATOM 1172 O SER A 80 -0.825 -7.409 3.529 1.00 0.00 O ATOM 1173 CB SER A 80 1.522 -5.170 4.353 1.00 0.00 C ATOM 1174 OG SER A 80 2.104 -6.462 4.261 1.00 0.00 O ATOM 0 H SER A 80 -0.100 -3.389 4.802 1.00 0.00 H new ATOM 0 HA SER A 80 0.143 -5.239 2.703 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.121 -4.448 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.505 -4.839 5.391 1.00 0.00 H new ATOM 0 HG SER A 80 3.016 -6.436 4.618 1.00 0.00 H new ATOM 1180 N THR A 81 -0.974 -6.462 5.564 1.00 0.00 N ATOM 1181 CA THR A 81 -1.663 -7.608 6.152 1.00 0.00 C ATOM 1182 C THR A 81 -2.945 -7.895 5.371 1.00 0.00 C ATOM 1183 O THR A 81 -3.281 -9.047 5.085 1.00 0.00 O ATOM 1184 CB THR A 81 -2.003 -7.319 7.615 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.804 -7.108 8.348 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.762 -8.507 8.210 1.00 0.00 C ATOM 0 H THR A 81 -0.807 -5.688 6.207 1.00 0.00 H new ATOM 0 HA THR A 81 -1.010 -8.479 6.104 1.00 0.00 H new ATOM 0 HB THR A 81 -2.626 -6.426 7.672 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.474 -6.200 8.182 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.003 -8.299 9.252 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.683 -8.668 7.649 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.141 -9.401 8.153 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.665 -6.842 5.024 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.891 -7.004 4.270 1.00 0.00 C ATOM 1196 C ALA A 82 -4.586 -7.456 2.843 1.00 0.00 C ATOM 1197 O ALA A 82 -5.285 -8.310 2.286 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.657 -5.679 4.228 1.00 0.00 C ATOM 0 H ALA A 82 -3.424 -5.877 5.250 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.499 -7.763 4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.578 -5.809 3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.899 -5.366 5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.040 -4.917 3.751 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.543 -6.879 2.242 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.193 -7.224 0.877 1.00 0.00 C ATOM 1206 C LEU A 83 -2.825 -8.703 0.772 1.00 0.00 C ATOM 1207 O LEU A 83 -3.360 -9.427 -0.065 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.001 -6.350 0.418 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.075 -6.104 -1.089 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -0.814 -5.374 -1.543 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.192 -7.436 -1.829 1.00 0.00 C ATOM 0 H LEU A 83 -2.939 -6.182 2.677 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.053 -7.039 0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.012 -5.399 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.062 -6.844 0.667 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.951 -5.496 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.863 -5.197 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.738 -4.420 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.061 -5.983 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.244 -7.253 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.321 -8.053 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.095 -7.954 -1.505 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.912 -9.142 1.626 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.485 -10.532 1.602 1.00 0.00 C ATOM 1225 C VAL A 84 -2.674 -11.435 1.903 1.00 0.00 C ATOM 1226 O VAL A 84 -2.759 -12.553 1.392 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.371 -10.762 2.632 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.923 -10.556 4.038 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.188 -12.183 2.494 1.00 0.00 C ATOM 0 H VAL A 84 -1.458 -8.565 2.334 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.096 -10.770 0.612 1.00 0.00 H new ATOM 0 HB VAL A 84 0.433 -10.048 2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.130 -10.720 4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.301 -9.538 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.733 -11.262 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.978 -12.336 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.610 -12.906 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.594 -12.318 1.492 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.591 -10.941 2.731 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.770 -11.719 3.085 1.00 0.00 C ATOM 1241 C ALA A 85 -5.547 -12.082 1.827 1.00 0.00 C ATOM 1242 O ALA A 85 -6.116 -13.169 1.726 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.663 -10.922 4.035 1.00 0.00 C ATOM 0 H ALA A 85 -3.541 -10.018 3.163 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.451 -12.633 3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.541 -11.515 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.108 -10.684 4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.978 -9.998 3.549 1.00 0.00 H new ATOM 1249 N GLU A 86 -5.563 -11.160 0.865 1.00 0.00 N ATOM 1250 CA GLU A 86 -6.269 -11.404 -0.393 1.00 0.00 C ATOM 1251 C GLU A 86 -5.774 -12.689 -1.052 1.00 0.00 C ATOM 1252 O GLU A 86 -6.443 -13.258 -1.913 1.00 0.00 O ATOM 1253 CB GLU A 86 -6.054 -10.237 -1.358 1.00 0.00 C ATOM 1254 CG GLU A 86 -6.577 -8.955 -0.723 1.00 0.00 C ATOM 1255 CD GLU A 86 -8.088 -9.043 -0.531 1.00 0.00 C ATOM 1256 OE1 GLU A 86 -8.702 -9.867 -1.190 1.00 0.00 O ATOM 1257 OE2 GLU A 86 -8.610 -8.287 0.271 1.00 0.00 O ATOM 0 H GLU A 86 -5.104 -10.252 0.929 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.330 -11.503 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.994 -10.134 -1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.571 -10.428 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.090 -8.791 0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.332 -8.101 -1.355 1.00 0.00 H new ATOM 1264 N LEU A 87 -4.591 -13.137 -0.642 1.00 0.00 N ATOM 1265 CA LEU A 87 -3.998 -14.356 -1.197 1.00 0.00 C ATOM 1266 C LEU A 87 -4.280 -15.556 -0.298 1.00 0.00 C ATOM 1267 O LEU A 87 -4.164 -16.703 -0.726 1.00 0.00 O ATOM 1268 CB LEU A 87 -2.482 -14.179 -1.353 1.00 0.00 C ATOM 1269 CG LEU A 87 -1.934 -15.215 -2.359 1.00 0.00 C ATOM 1270 CD1 LEU A 87 -2.027 -14.655 -3.783 1.00 0.00 C ATOM 1271 CD2 LEU A 87 -0.472 -15.522 -2.031 1.00 0.00 C ATOM 0 H LEU A 87 -4.023 -12.678 0.070 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.447 -14.537 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.258 -13.170 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.991 -14.301 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.525 -16.128 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.639 -15.389 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.068 -14.437 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.440 -13.739 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.086 -16.253 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.116 -14.606 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.403 -15.926 -1.021 1.00 0.00 H new ATOM 1283 N ARG A 88 -4.644 -15.283 0.946 1.00 0.00 N ATOM 1284 CA ARG A 88 -4.932 -16.348 1.901 1.00 0.00 C ATOM 1285 C ARG A 88 -6.356 -16.857 1.719 1.00 0.00 C ATOM 1286 O ARG A 88 -6.934 -16.739 0.638 1.00 0.00 O ATOM 1287 CB ARG A 88 -4.748 -15.821 3.326 1.00 0.00 C ATOM 1288 CG ARG A 88 -3.315 -15.298 3.517 1.00 0.00 C ATOM 1289 CD ARG A 88 -2.346 -16.469 3.730 1.00 0.00 C ATOM 1290 NE ARG A 88 -1.025 -15.972 4.075 1.00 0.00 N ATOM 1291 CZ ARG A 88 0.032 -16.774 4.041 1.00 0.00 C ATOM 1292 NH1 ARG A 88 -0.109 -18.026 3.693 1.00 0.00 N ATOM 1293 NH2 ARG A 88 1.207 -16.314 4.357 1.00 0.00 N ATOM 0 H ARG A 88 -4.747 -14.339 1.319 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.243 -17.174 1.726 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.464 -15.022 3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.952 -16.615 4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.012 -14.720 2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.277 -14.625 4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.717 -17.118 4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.290 -17.073 2.825 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.909 -14.996 4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.031 -18.386 3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.703 -18.643 3.667 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.316 -15.337 4.631 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.020 -16.930 4.331 1.00 0.00 H new ATOM 1307 N SER A 89 -6.911 -17.432 2.782 1.00 0.00 N ATOM 1308 CA SER A 89 -8.263 -17.963 2.731 1.00 0.00 C ATOM 1309 C SER A 89 -9.240 -16.893 2.257 1.00 0.00 C ATOM 1310 O SER A 89 -8.835 -15.863 1.718 1.00 0.00 O ATOM 1311 CB SER A 89 -8.680 -18.463 4.115 1.00 0.00 C ATOM 1312 OG SER A 89 -9.911 -19.165 4.007 1.00 0.00 O ATOM 0 H SER A 89 -6.446 -17.540 3.683 1.00 0.00 H new ATOM 0 HA SER A 89 -8.282 -18.794 2.025 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.910 -19.116 4.526 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.786 -17.623 4.802 1.00 0.00 H new ATOM 0 HG SER A 89 -9.961 -19.606 3.133 1.00 0.00 H new ATOM 1318 N ALA A 90 -10.526 -17.144 2.463 1.00 0.00 N ATOM 1319 CA ALA A 90 -11.551 -16.194 2.052 1.00 0.00 C ATOM 1320 C ALA A 90 -12.914 -16.606 2.597 1.00 0.00 C ATOM 1321 O ALA A 90 -13.493 -15.831 3.341 1.00 0.00 O ATOM 1322 CB ALA A 90 -11.612 -16.118 0.525 1.00 0.00 C ATOM 1323 OXT ALA A 90 -13.361 -17.690 2.262 1.00 0.00 O ATOM 0 H ALA A 90 -10.882 -17.990 2.908 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.293 -15.214 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.381 -15.405 0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.646 -15.793 0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.852 -17.101 0.121 1.00 0.00 H new TER 1329 ALA A 90