USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 869 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 HIS : no HD1:sc= 0.173 K(o=1,f=-3) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -151:sc= 0.837 (180deg=0) USER MOD Set 2.1: A 1 MET N :NH3+ -174:sc= 0.49 (180deg=-0.0895) USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0.983 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -138:sc= 1.27 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.259 USER MOD Single : A 16 MET CE :methyl -169:sc= -0.252 (180deg=-0.414) USER MOD Single : A 18 SER OG : rot -147:sc= 0.957 USER MOD Single : A 26 TYR OH : rot 30:sc= -0.295 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0789 K(o=-0.079,f=-1.4!) USER MOD Single : A 42 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.5) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -144:sc= 0.387 (180deg=-1.9!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 1.9 K(o=1.9,f=-3.9!) USER MOD Single : A 74 ASN : amide:sc= 0.158 K(o=0.16,f=-0.52) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 80 LYS NZ :NH3+ -146:sc= 0.00887 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 102 SER OG : rot -67:sc= 1.17 USER MOD Single : A 110 THR OG1 : rot -178:sc= 1.04 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.577 -2.755 11.135 1.00 0.00 N ATOM 2 CA MET A 1 11.989 -4.107 11.189 1.00 0.00 C ATOM 3 C MET A 1 10.496 -4.126 10.858 1.00 0.00 C ATOM 4 O MET A 1 9.799 -5.073 11.231 1.00 0.00 O ATOM 5 CB MET A 1 12.291 -4.781 12.541 1.00 0.00 C ATOM 6 CG MET A 1 11.509 -4.204 13.734 1.00 0.00 C ATOM 7 SD MET A 1 11.979 -4.912 15.333 1.00 0.00 S ATOM 8 CE MET A 1 10.745 -4.126 16.404 1.00 0.00 C ATOM 0 H1 MET A 1 13.607 -2.819 11.268 1.00 0.00 H new ATOM 0 H2 MET A 1 12.373 -2.324 10.211 1.00 0.00 H new ATOM 0 H3 MET A 1 12.166 -2.168 11.889 1.00 0.00 H new ATOM 0 HA MET A 1 12.468 -4.693 10.405 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.070 -5.845 12.459 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.358 -4.692 12.746 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.660 -3.125 13.767 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.444 -4.372 13.573 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.893 -4.456 17.432 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.854 -3.043 16.351 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.745 -4.406 16.073 1.00 0.00 H new ATOM 18 N ALA A 2 9.971 -3.113 10.164 1.00 0.00 N ATOM 19 CA ALA A 2 8.635 -3.150 9.602 1.00 0.00 C ATOM 20 C ALA A 2 8.719 -3.682 8.184 1.00 0.00 C ATOM 21 O ALA A 2 9.732 -3.475 7.522 1.00 0.00 O ATOM 22 CB ALA A 2 8.068 -1.726 9.583 1.00 0.00 C ATOM 0 H ALA A 2 10.471 -2.243 9.980 1.00 0.00 H new ATOM 0 HA ALA A 2 7.988 -3.793 10.198 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.063 -1.740 9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.030 -1.336 10.600 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.708 -1.088 8.973 1.00 0.00 H new ATOM 28 N ARG A 3 7.633 -4.249 7.669 1.00 0.00 N ATOM 29 CA ARG A 3 7.411 -4.213 6.236 1.00 0.00 C ATOM 30 C ARG A 3 6.590 -2.991 5.910 1.00 0.00 C ATOM 31 O ARG A 3 5.657 -2.653 6.633 1.00 0.00 O ATOM 32 CB ARG A 3 6.744 -5.498 5.741 1.00 0.00 C ATOM 33 CG ARG A 3 7.781 -6.577 5.454 1.00 0.00 C ATOM 34 CD ARG A 3 7.966 -7.610 6.561 1.00 0.00 C ATOM 35 NE ARG A 3 7.750 -8.974 6.051 1.00 0.00 N ATOM 36 CZ ARG A 3 8.534 -10.042 6.231 1.00 0.00 C ATOM 37 NH1 ARG A 3 9.681 -9.947 6.891 1.00 0.00 N ATOM 38 NH2 ARG A 3 8.154 -11.222 5.753 1.00 0.00 N ATOM 0 H ARG A 3 6.912 -4.726 8.210 1.00 0.00 H new ATOM 0 HA ARG A 3 8.368 -4.150 5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.038 -5.857 6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.171 -5.290 4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.498 -7.096 4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.740 -6.095 5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.971 -7.528 6.976 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.268 -7.407 7.373 1.00 0.00 H new ATOM 0 HE ARG A 3 6.906 -9.121 5.497 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.978 -9.048 7.271 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.266 -10.773 7.018 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.269 -11.309 5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.747 -12.041 5.886 1.00 0.00 H new ATOM 52 N VAL A 4 6.919 -2.344 4.808 1.00 0.00 N ATOM 53 CA VAL A 4 6.042 -1.400 4.135 1.00 0.00 C ATOM 54 C VAL A 4 5.305 -2.208 3.060 1.00 0.00 C ATOM 55 O VAL A 4 5.741 -3.313 2.717 1.00 0.00 O ATOM 56 CB VAL A 4 6.949 -0.245 3.647 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.538 -0.544 2.275 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.315 1.139 3.604 1.00 0.00 C ATOM 0 H VAL A 4 7.820 -2.461 4.345 1.00 0.00 H new ATOM 0 HA VAL A 4 5.267 -0.930 4.740 1.00 0.00 H new ATOM 0 HB VAL A 4 7.720 -0.202 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.170 0.287 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.135 -1.455 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.731 -0.679 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.047 1.863 3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.458 1.126 2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.985 1.419 4.604 1.00 0.00 H new ATOM 68 N ALA A 5 4.221 -1.679 2.491 1.00 0.00 N ATOM 69 CA ALA A 5 3.680 -2.203 1.246 1.00 0.00 C ATOM 70 C ALA A 5 3.484 -1.022 0.304 1.00 0.00 C ATOM 71 O ALA A 5 3.289 0.113 0.752 1.00 0.00 O ATOM 72 CB ALA A 5 2.362 -2.942 1.489 1.00 0.00 C ATOM 0 H ALA A 5 3.704 -0.889 2.876 1.00 0.00 H new ATOM 0 HA ALA A 5 4.366 -2.927 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.979 -3.324 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.532 -3.773 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.635 -2.256 1.924 1.00 0.00 H new ATOM 78 N ILE A 6 3.506 -1.277 -0.998 1.00 0.00 N ATOM 79 CA ILE A 6 3.312 -0.273 -2.028 1.00 0.00 C ATOM 80 C ILE A 6 2.360 -0.899 -3.050 1.00 0.00 C ATOM 81 O ILE A 6 2.677 -1.967 -3.581 1.00 0.00 O ATOM 82 CB ILE A 6 4.641 0.174 -2.669 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.724 0.580 -1.651 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.384 1.344 -3.632 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.615 -0.590 -1.210 1.00 0.00 C ATOM 0 H ILE A 6 3.663 -2.212 -1.373 1.00 0.00 H new ATOM 0 HA ILE A 6 2.891 0.640 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 6 5.027 -0.695 -3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.349 1.359 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.243 1.012 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.325 1.657 -4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.695 1.027 -4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.949 2.179 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.355 -0.234 -0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.000 -1.360 -0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.123 -1.008 -2.079 1.00 0.00 H new ATOM 97 N PRO A 7 1.186 -0.295 -3.289 1.00 0.00 N ATOM 98 CA PRO A 7 0.219 -0.735 -4.263 1.00 0.00 C ATOM 99 C PRO A 7 0.816 -0.451 -5.641 1.00 0.00 C ATOM 100 O PRO A 7 0.942 0.711 -6.013 1.00 0.00 O ATOM 101 CB PRO A 7 -1.041 0.084 -3.931 1.00 0.00 C ATOM 102 CG PRO A 7 -0.544 1.383 -3.321 1.00 0.00 C ATOM 103 CD PRO A 7 0.780 0.980 -2.742 1.00 0.00 C ATOM 0 HA PRO A 7 -0.033 -1.795 -4.253 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.631 0.274 -4.828 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.684 -0.454 -3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.438 2.169 -4.069 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.224 1.760 -2.557 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.531 1.738 -2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.708 0.914 -1.656 1.00 0.00 H new ATOM 111 N SER A 8 1.220 -1.480 -6.374 1.00 0.00 N ATOM 112 CA SER A 8 1.776 -1.396 -7.719 1.00 0.00 C ATOM 113 C SER A 8 0.707 -1.880 -8.710 1.00 0.00 C ATOM 114 O SER A 8 -0.289 -2.508 -8.321 1.00 0.00 O ATOM 115 CB SER A 8 3.023 -2.289 -7.755 1.00 0.00 C ATOM 116 OG SER A 8 3.664 -2.274 -9.015 1.00 0.00 O ATOM 0 H SER A 8 1.167 -2.440 -6.032 1.00 0.00 H new ATOM 0 HA SER A 8 2.058 -0.378 -7.990 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.725 -1.958 -6.990 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.740 -3.312 -7.507 1.00 0.00 H new ATOM 0 HG SER A 8 3.948 -3.182 -9.248 1.00 0.00 H new ATOM 122 N VAL A 9 0.935 -1.668 -10.006 1.00 0.00 N ATOM 123 CA VAL A 9 0.189 -2.330 -11.072 1.00 0.00 C ATOM 124 C VAL A 9 1.152 -3.046 -12.032 1.00 0.00 C ATOM 125 O VAL A 9 0.878 -3.181 -13.226 1.00 0.00 O ATOM 126 CB VAL A 9 -0.713 -1.295 -11.783 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.653 -0.575 -10.805 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.040 -0.200 -12.561 1.00 0.00 C ATOM 0 H VAL A 9 1.650 -1.025 -10.347 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.461 -3.100 -10.657 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.266 -1.909 -12.494 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.266 0.142 -11.351 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.297 -1.305 -10.315 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.063 -0.050 -10.054 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.678 0.477 -13.024 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.677 0.360 -11.876 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.655 -0.661 -13.334 1.00 0.00 H new ATOM 138 N GLY A 10 2.218 -3.631 -11.482 1.00 0.00 N ATOM 139 CA GLY A 10 3.143 -4.509 -12.181 1.00 0.00 C ATOM 140 C GLY A 10 4.073 -5.183 -11.171 1.00 0.00 C ATOM 141 O GLY A 10 4.181 -4.751 -10.022 1.00 0.00 O ATOM 0 H GLY A 10 2.465 -3.498 -10.501 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.591 -5.263 -12.742 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.727 -3.938 -12.903 1.00 0.00 H new ATOM 145 N LYS A 11 4.782 -6.228 -11.610 1.00 0.00 N ATOM 146 CA LYS A 11 5.589 -7.112 -10.765 1.00 0.00 C ATOM 147 C LYS A 11 7.044 -6.643 -10.742 1.00 0.00 C ATOM 148 O LYS A 11 7.968 -7.454 -10.792 1.00 0.00 O ATOM 149 CB LYS A 11 5.439 -8.574 -11.253 1.00 0.00 C ATOM 150 CG LYS A 11 5.785 -8.752 -12.738 1.00 0.00 C ATOM 151 CD LYS A 11 5.669 -10.187 -13.265 1.00 0.00 C ATOM 152 CE LYS A 11 4.218 -10.675 -13.204 1.00 0.00 C ATOM 153 NZ LYS A 11 3.955 -11.755 -14.174 1.00 0.00 N ATOM 0 H LYS A 11 4.810 -6.490 -12.595 1.00 0.00 H new ATOM 0 HA LYS A 11 5.232 -7.072 -9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.085 -9.218 -10.656 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.414 -8.904 -11.083 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.129 -8.111 -13.327 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.804 -8.402 -12.902 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.029 -10.232 -14.293 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.304 -10.848 -12.676 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.997 -11.031 -12.197 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.546 -9.840 -13.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.962 -12.055 -14.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.140 -11.409 -15.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.577 -12.563 -13.971 1.00 0.00 H new ATOM 167 N ASP A 12 7.263 -5.334 -10.690 1.00 0.00 N ATOM 168 CA ASP A 12 8.582 -4.733 -10.812 1.00 0.00 C ATOM 169 C ASP A 12 8.645 -3.533 -9.891 1.00 0.00 C ATOM 170 O ASP A 12 7.671 -2.798 -9.716 1.00 0.00 O ATOM 171 CB ASP A 12 8.837 -4.233 -12.237 1.00 0.00 C ATOM 172 CG ASP A 12 9.392 -5.268 -13.205 1.00 0.00 C ATOM 173 OD1 ASP A 12 10.619 -5.524 -13.217 1.00 0.00 O ATOM 174 OD2 ASP A 12 8.602 -5.765 -14.041 1.00 0.00 O ATOM 0 H ASP A 12 6.516 -4.652 -10.560 1.00 0.00 H new ATOM 0 HA ASP A 12 9.328 -5.486 -10.558 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.901 -3.848 -12.641 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.532 -3.395 -12.190 1.00 0.00 H new ATOM 179 N LEU A 13 9.849 -3.288 -9.396 1.00 0.00 N ATOM 180 CA LEU A 13 10.237 -2.132 -8.593 1.00 0.00 C ATOM 181 C LEU A 13 10.176 -0.823 -9.388 1.00 0.00 C ATOM 182 O LEU A 13 10.173 0.255 -8.806 1.00 0.00 O ATOM 183 CB LEU A 13 11.670 -2.392 -8.120 1.00 0.00 C ATOM 184 CG LEU A 13 12.045 -2.031 -6.678 1.00 0.00 C ATOM 185 CD1 LEU A 13 12.077 -0.520 -6.482 1.00 0.00 C ATOM 186 CD2 LEU A 13 11.167 -2.726 -5.633 1.00 0.00 C ATOM 0 H LEU A 13 10.629 -3.927 -9.552 1.00 0.00 H new ATOM 0 HA LEU A 13 9.545 -2.014 -7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.877 -3.453 -8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.341 -1.846 -8.783 1.00 0.00 H new ATOM 0 HG LEU A 13 13.053 -2.413 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.346 -0.293 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.815 -0.081 -7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.094 -0.104 -6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.485 -2.428 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.126 -2.439 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.264 -3.807 -5.737 1.00 0.00 H new ATOM 198 N SER A 14 10.090 -0.898 -10.714 1.00 0.00 N ATOM 199 CA SER A 14 9.954 0.265 -11.568 1.00 0.00 C ATOM 200 C SER A 14 8.681 0.119 -12.404 1.00 0.00 C ATOM 201 O SER A 14 8.625 0.588 -13.545 1.00 0.00 O ATOM 202 CB SER A 14 11.199 0.274 -12.453 1.00 0.00 C ATOM 203 OG SER A 14 11.545 1.546 -12.983 1.00 0.00 O ATOM 0 H SER A 14 10.114 -1.780 -11.225 1.00 0.00 H new ATOM 0 HA SER A 14 9.874 1.197 -11.008 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.042 -0.104 -11.874 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.044 -0.419 -13.280 1.00 0.00 H new ATOM 0 HG SER A 14 12.351 1.463 -13.534 1.00 0.00 H new ATOM 209 N SER A 15 7.612 -0.432 -11.822 1.00 0.00 N ATOM 210 CA SER A 15 6.276 -0.301 -12.404 1.00 0.00 C ATOM 211 C SER A 15 5.460 0.723 -11.607 1.00 0.00 C ATOM 212 O SER A 15 5.910 1.167 -10.551 1.00 0.00 O ATOM 213 CB SER A 15 5.595 -1.668 -12.505 1.00 0.00 C ATOM 214 OG SER A 15 6.227 -2.385 -13.549 1.00 0.00 O ATOM 0 H SER A 15 7.646 -0.969 -10.955 1.00 0.00 H new ATOM 0 HA SER A 15 6.353 0.076 -13.424 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.681 -2.209 -11.563 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.531 -1.551 -12.710 1.00 0.00 H new ATOM 0 HG SER A 15 5.812 -3.268 -13.637 1.00 0.00 H new ATOM 220 N MET A 16 4.277 1.128 -12.074 1.00 0.00 N ATOM 221 CA MET A 16 3.595 2.287 -11.520 1.00 0.00 C ATOM 222 C MET A 16 2.930 1.949 -10.200 1.00 0.00 C ATOM 223 O MET A 16 2.298 0.903 -10.045 1.00 0.00 O ATOM 224 CB MET A 16 2.510 2.731 -12.503 1.00 0.00 C ATOM 225 CG MET A 16 3.076 3.755 -13.475 1.00 0.00 C ATOM 226 SD MET A 16 3.562 5.373 -12.790 1.00 0.00 S ATOM 227 CE MET A 16 2.270 5.734 -11.564 1.00 0.00 C ATOM 0 H MET A 16 3.776 0.667 -12.834 1.00 0.00 H new ATOM 0 HA MET A 16 4.329 3.076 -11.355 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.129 1.869 -13.051 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.668 3.160 -11.959 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.949 3.316 -13.958 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.334 3.927 -14.255 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.360 6.769 -11.235 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.289 5.580 -12.013 1.00 0.00 H new ATOM 0 HE3 MET A 16 2.385 5.070 -10.708 1.00 0.00 H new ATOM 237 N VAL A 17 3.079 2.875 -9.261 1.00 0.00 N ATOM 238 CA VAL A 17 2.323 2.893 -8.025 1.00 0.00 C ATOM 239 C VAL A 17 0.878 3.289 -8.369 1.00 0.00 C ATOM 240 O VAL A 17 0.620 4.208 -9.143 1.00 0.00 O ATOM 241 CB VAL A 17 3.035 3.815 -7.013 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.405 3.845 -5.628 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.473 3.360 -6.796 1.00 0.00 C ATOM 0 H VAL A 17 3.742 3.646 -9.343 1.00 0.00 H new ATOM 0 HA VAL A 17 2.273 1.919 -7.538 1.00 0.00 H new ATOM 0 HB VAL A 17 2.958 4.806 -7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.972 4.518 -4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.376 4.196 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.416 2.842 -5.202 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.960 4.022 -6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.478 2.341 -6.410 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.012 3.392 -7.743 1.00 0.00 H new ATOM 253 N SER A 18 -0.075 2.519 -7.856 1.00 0.00 N ATOM 254 CA SER A 18 -1.507 2.638 -8.096 1.00 0.00 C ATOM 255 C SER A 18 -2.052 3.758 -7.228 1.00 0.00 C ATOM 256 O SER A 18 -1.637 3.894 -6.075 1.00 0.00 O ATOM 257 CB SER A 18 -2.146 1.296 -7.731 1.00 0.00 C ATOM 258 OG SER A 18 -3.496 1.204 -8.145 1.00 0.00 O ATOM 0 H SER A 18 0.145 1.749 -7.224 1.00 0.00 H new ATOM 0 HA SER A 18 -1.727 2.874 -9.137 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.574 0.489 -8.189 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.091 1.153 -6.652 1.00 0.00 H new ATOM 0 HG SER A 18 -3.997 0.654 -7.507 1.00 0.00 H new ATOM 264 N ASP A 19 -3.038 4.522 -7.706 1.00 0.00 N ATOM 265 CA ASP A 19 -3.511 5.697 -6.978 1.00 0.00 C ATOM 266 C ASP A 19 -4.571 5.293 -5.928 1.00 0.00 C ATOM 267 O ASP A 19 -5.537 6.021 -5.668 1.00 0.00 O ATOM 268 CB ASP A 19 -4.195 6.663 -7.978 1.00 0.00 C ATOM 269 CG ASP A 19 -3.347 7.175 -9.138 1.00 0.00 C ATOM 270 OD1 ASP A 19 -2.354 7.895 -8.910 1.00 0.00 O ATOM 271 OD2 ASP A 19 -3.766 6.981 -10.305 1.00 0.00 O ATOM 0 H ASP A 19 -3.520 4.348 -8.588 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.659 6.166 -6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.067 6.158 -8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.561 7.525 -7.420 1.00 0.00 H new ATOM 276 N ARG A 20 -4.410 4.127 -5.288 1.00 0.00 N ATOM 277 CA ARG A 20 -5.484 3.354 -4.649 1.00 0.00 C ATOM 278 C ARG A 20 -4.826 2.107 -4.074 1.00 0.00 C ATOM 279 O ARG A 20 -4.319 1.286 -4.829 1.00 0.00 O ATOM 280 CB ARG A 20 -6.632 2.986 -5.628 1.00 0.00 C ATOM 281 CG ARG A 20 -6.418 3.152 -7.153 1.00 0.00 C ATOM 282 CD ARG A 20 -7.556 2.538 -7.981 1.00 0.00 C ATOM 283 NE ARG A 20 -8.101 3.466 -8.984 1.00 0.00 N ATOM 284 CZ ARG A 20 -8.170 3.297 -10.309 1.00 0.00 C ATOM 285 NH1 ARG A 20 -7.556 2.277 -10.902 1.00 0.00 N ATOM 286 NH2 ARG A 20 -8.878 4.154 -11.036 1.00 0.00 N ATOM 0 H ARG A 20 -3.497 3.681 -5.198 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.962 3.952 -3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.894 1.944 -5.447 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.500 3.585 -5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.333 4.212 -7.391 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.475 2.685 -7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.190 1.642 -8.483 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.357 2.224 -7.311 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.472 4.346 -8.625 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.023 1.609 -10.345 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.619 2.162 -11.914 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.361 4.930 -10.583 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.939 4.036 -12.047 1.00 0.00 H new ATOM 300 N PHE A 21 -4.846 1.947 -2.749 1.00 0.00 N ATOM 301 CA PHE A 21 -4.404 0.742 -2.082 1.00 0.00 C ATOM 302 C PHE A 21 -5.277 -0.442 -2.475 1.00 0.00 C ATOM 303 O PHE A 21 -4.817 -1.341 -3.157 1.00 0.00 O ATOM 304 CB PHE A 21 -4.441 0.972 -0.569 1.00 0.00 C ATOM 305 CG PHE A 21 -4.267 -0.305 0.214 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.079 -1.032 0.056 1.00 0.00 C ATOM 307 CD2 PHE A 21 -5.323 -0.839 0.978 1.00 0.00 C ATOM 308 CE1 PHE A 21 -2.945 -2.294 0.643 1.00 0.00 C ATOM 309 CE2 PHE A 21 -5.175 -2.089 1.594 1.00 0.00 C ATOM 310 CZ PHE A 21 -3.983 -2.813 1.437 1.00 0.00 C ATOM 0 H PHE A 21 -5.177 2.668 -2.108 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.383 0.510 -2.386 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.654 1.674 -0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.390 1.434 -0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.266 -0.617 -0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.244 -0.287 1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.045 -2.870 0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.979 -2.495 2.190 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.863 -3.769 1.926 1.00 0.00 H new ATOM 320 N ALA A 22 -6.539 -0.459 -2.037 1.00 0.00 N ATOM 321 CA ALA A 22 -7.381 -1.650 -2.160 1.00 0.00 C ATOM 322 C ALA A 22 -7.891 -1.863 -3.594 1.00 0.00 C ATOM 323 O ALA A 22 -8.773 -2.687 -3.814 1.00 0.00 O ATOM 324 CB ALA A 22 -8.506 -1.623 -1.121 1.00 0.00 C ATOM 0 H ALA A 22 -6.998 0.337 -1.595 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.763 -2.522 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.121 -2.516 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.076 -1.596 -0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.122 -0.737 -1.275 1.00 0.00 H new ATOM 330 N ARG A 23 -7.359 -1.120 -4.565 1.00 0.00 N ATOM 331 CA ARG A 23 -7.364 -1.402 -5.968 1.00 0.00 C ATOM 332 C ARG A 23 -5.921 -1.159 -6.425 1.00 0.00 C ATOM 333 O ARG A 23 -5.612 -0.151 -7.063 1.00 0.00 O ATOM 334 CB ARG A 23 -8.338 -0.446 -6.634 1.00 0.00 C ATOM 335 CG ARG A 23 -9.796 -0.914 -6.672 1.00 0.00 C ATOM 336 CD ARG A 23 -10.541 -0.374 -7.906 1.00 0.00 C ATOM 337 NE ARG A 23 -11.175 0.924 -7.630 1.00 0.00 N ATOM 338 CZ ARG A 23 -11.586 1.851 -8.505 1.00 0.00 C ATOM 339 NH1 ARG A 23 -11.226 1.820 -9.781 1.00 0.00 N ATOM 340 NH2 ARG A 23 -12.387 2.825 -8.089 1.00 0.00 N ATOM 0 H ARG A 23 -6.882 -0.243 -4.356 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.676 -2.416 -6.219 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.295 0.511 -6.114 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.004 -0.268 -7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.827 -2.004 -6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.307 -0.585 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.843 -0.269 -8.736 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.300 -1.092 -8.216 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.320 1.147 -6.645 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.619 1.075 -10.122 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.557 2.541 -10.422 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.682 2.861 -7.113 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.707 3.537 -8.745 1.00 0.00 H new ATOM 354 N ALA A 24 -5.014 -2.042 -6.035 1.00 0.00 N ATOM 355 CA ALA A 24 -3.770 -2.251 -6.750 1.00 0.00 C ATOM 356 C ALA A 24 -3.871 -3.636 -7.387 1.00 0.00 C ATOM 357 O ALA A 24 -4.900 -4.295 -7.240 1.00 0.00 O ATOM 358 CB ALA A 24 -2.571 -2.089 -5.787 1.00 0.00 C ATOM 0 H ALA A 24 -5.123 -2.634 -5.211 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.603 -1.513 -7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.641 -2.248 -6.333 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.577 -1.084 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.649 -2.821 -4.983 1.00 0.00 H new ATOM 364 N GLU A 25 -2.844 -4.063 -8.113 1.00 0.00 N ATOM 365 CA GLU A 25 -2.806 -5.407 -8.693 1.00 0.00 C ATOM 366 C GLU A 25 -1.614 -6.225 -8.211 1.00 0.00 C ATOM 367 O GLU A 25 -1.615 -7.454 -8.316 1.00 0.00 O ATOM 368 CB GLU A 25 -2.855 -5.307 -10.217 1.00 0.00 C ATOM 369 CG GLU A 25 -4.304 -5.259 -10.725 1.00 0.00 C ATOM 370 CD GLU A 25 -4.432 -6.058 -12.024 1.00 0.00 C ATOM 371 OE1 GLU A 25 -4.457 -7.312 -11.970 1.00 0.00 O ATOM 372 OE2 GLU A 25 -4.355 -5.445 -13.115 1.00 0.00 O ATOM 0 H GLU A 25 -2.021 -3.497 -8.317 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.686 -5.949 -8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.323 -4.413 -10.543 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.341 -6.162 -10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.976 -5.667 -9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.604 -4.225 -10.894 1.00 0.00 H new ATOM 379 N TYR A 26 -0.613 -5.558 -7.645 1.00 0.00 N ATOM 380 CA TYR A 26 0.544 -6.140 -7.028 1.00 0.00 C ATOM 381 C TYR A 26 0.811 -5.304 -5.786 1.00 0.00 C ATOM 382 O TYR A 26 0.434 -4.130 -5.728 1.00 0.00 O ATOM 383 CB TYR A 26 1.713 -6.081 -8.015 1.00 0.00 C ATOM 384 CG TYR A 26 1.527 -6.928 -9.256 1.00 0.00 C ATOM 385 CD1 TYR A 26 0.902 -6.367 -10.384 1.00 0.00 C ATOM 386 CD2 TYR A 26 2.003 -8.251 -9.302 1.00 0.00 C ATOM 387 CE1 TYR A 26 0.821 -7.087 -11.584 1.00 0.00 C ATOM 388 CE2 TYR A 26 1.908 -8.991 -10.494 1.00 0.00 C ATOM 389 CZ TYR A 26 1.346 -8.396 -11.645 1.00 0.00 C ATOM 390 OH TYR A 26 1.361 -9.068 -12.822 1.00 0.00 O ATOM 0 H TYR A 26 -0.600 -4.539 -7.610 1.00 0.00 H new ATOM 0 HA TYR A 26 0.404 -7.186 -6.756 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.866 -5.045 -8.317 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.621 -6.402 -7.504 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.481 -5.374 -10.325 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.441 -8.698 -8.422 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.361 -6.644 -12.455 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.263 -10.010 -10.529 1.00 0.00 H new ATOM 0 HH TYR A 26 1.443 -8.430 -13.562 1.00 0.00 H new ATOM 400 N PHE A 27 1.469 -5.889 -4.797 1.00 0.00 N ATOM 401 CA PHE A 27 1.844 -5.212 -3.574 1.00 0.00 C ATOM 402 C PHE A 27 3.290 -5.567 -3.324 1.00 0.00 C ATOM 403 O PHE A 27 3.615 -6.721 -3.059 1.00 0.00 O ATOM 404 CB PHE A 27 0.918 -5.587 -2.421 1.00 0.00 C ATOM 405 CG PHE A 27 -0.486 -5.055 -2.597 1.00 0.00 C ATOM 406 CD1 PHE A 27 -0.789 -3.731 -2.233 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.477 -5.868 -3.178 1.00 0.00 C ATOM 408 CE1 PHE A 27 -2.084 -3.231 -2.447 1.00 0.00 C ATOM 409 CE2 PHE A 27 -2.766 -5.356 -3.387 1.00 0.00 C ATOM 410 CZ PHE A 27 -3.070 -4.042 -3.022 1.00 0.00 C ATOM 0 H PHE A 27 1.761 -6.866 -4.827 1.00 0.00 H new ATOM 0 HA PHE A 27 1.739 -4.131 -3.661 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.881 -6.673 -2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.333 -5.203 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.030 -3.102 -1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.246 -6.884 -3.462 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.321 -2.215 -2.166 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.527 -5.980 -3.832 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.064 -3.652 -3.183 1.00 0.00 H new ATOM 420 N ILE A 28 4.155 -4.585 -3.511 1.00 0.00 N ATOM 421 CA ILE A 28 5.588 -4.719 -3.328 1.00 0.00 C ATOM 422 C ILE A 28 5.828 -4.439 -1.855 1.00 0.00 C ATOM 423 O ILE A 28 5.298 -3.464 -1.327 1.00 0.00 O ATOM 424 CB ILE A 28 6.316 -3.770 -4.300 1.00 0.00 C ATOM 425 CG1 ILE A 28 5.751 -3.852 -5.740 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.816 -4.079 -4.276 1.00 0.00 C ATOM 427 CD1 ILE A 28 5.625 -5.259 -6.326 1.00 0.00 C ATOM 0 H ILE A 28 3.872 -3.649 -3.802 1.00 0.00 H new ATOM 0 HA ILE A 28 5.983 -5.707 -3.564 1.00 0.00 H new ATOM 0 HB ILE A 28 6.149 -2.746 -3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.766 -3.385 -5.751 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.391 -3.262 -6.396 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.336 -3.410 -4.962 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.201 -3.935 -3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.980 -5.112 -4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.220 -5.198 -7.336 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.608 -5.729 -6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.958 -5.854 -5.703 1.00 0.00 H new ATOM 439 N ILE A 29 6.525 -5.344 -1.179 1.00 0.00 N ATOM 440 CA ILE A 29 6.602 -5.410 0.272 1.00 0.00 C ATOM 441 C ILE A 29 8.076 -5.382 0.647 1.00 0.00 C ATOM 442 O ILE A 29 8.768 -6.394 0.542 1.00 0.00 O ATOM 443 CB ILE A 29 5.834 -6.653 0.762 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.329 -6.473 0.502 1.00 0.00 C ATOM 445 CG2 ILE A 29 6.092 -6.951 2.244 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.553 -7.755 0.777 1.00 0.00 C ATOM 0 H ILE A 29 7.068 -6.073 -1.641 1.00 0.00 H new ATOM 0 HA ILE A 29 6.126 -4.563 0.766 1.00 0.00 H new ATOM 0 HB ILE A 29 6.201 -7.511 0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.944 -5.672 1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.172 -6.167 -0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.529 -7.836 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.156 -7.129 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.775 -6.100 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.494 -7.588 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.921 -8.549 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.689 -8.046 1.819 1.00 0.00 H new ATOM 458 N TYR A 30 8.565 -4.197 1.004 1.00 0.00 N ATOM 459 CA TYR A 30 9.963 -3.937 1.323 1.00 0.00 C ATOM 460 C TYR A 30 10.172 -4.097 2.829 1.00 0.00 C ATOM 461 O TYR A 30 9.455 -3.481 3.623 1.00 0.00 O ATOM 462 CB TYR A 30 10.320 -2.512 0.877 1.00 0.00 C ATOM 463 CG TYR A 30 11.806 -2.226 0.906 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.603 -2.667 -0.161 1.00 0.00 C ATOM 465 CD2 TYR A 30 12.400 -1.575 2.003 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.999 -2.521 -0.110 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.797 -1.399 2.050 1.00 0.00 C ATOM 468 CZ TYR A 30 14.604 -1.888 0.996 1.00 0.00 C ATOM 469 OH TYR A 30 15.962 -1.778 1.024 1.00 0.00 O ATOM 0 H TYR A 30 7.979 -3.366 1.081 1.00 0.00 H new ATOM 0 HA TYR A 30 10.609 -4.644 0.802 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.947 -2.352 -0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.808 -1.798 1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.141 -3.121 -1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.783 -1.209 2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.610 -2.894 -0.919 1.00 0.00 H new ATOM 0 HE2 TYR A 30 14.251 -0.892 2.889 1.00 0.00 H new ATOM 0 HH TYR A 30 16.236 -1.319 1.845 1.00 0.00 H new ATOM 479 N ASP A 31 11.127 -4.939 3.209 1.00 0.00 N ATOM 480 CA ASP A 31 11.550 -5.198 4.589 1.00 0.00 C ATOM 481 C ASP A 31 12.496 -4.121 5.106 1.00 0.00 C ATOM 482 O ASP A 31 13.574 -3.930 4.534 1.00 0.00 O ATOM 483 CB ASP A 31 12.284 -6.549 4.670 1.00 0.00 C ATOM 484 CG ASP A 31 11.372 -7.613 5.246 1.00 0.00 C ATOM 485 OD1 ASP A 31 11.290 -7.691 6.492 1.00 0.00 O ATOM 486 OD2 ASP A 31 10.729 -8.333 4.450 1.00 0.00 O ATOM 0 H ASP A 31 11.656 -5.489 2.532 1.00 0.00 H new ATOM 0 HA ASP A 31 10.648 -5.205 5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.620 -6.848 3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.174 -6.449 5.291 1.00 0.00 H new ATOM 491 N THR A 32 12.189 -3.496 6.249 1.00 0.00 N ATOM 492 CA THR A 32 13.093 -2.537 6.886 1.00 0.00 C ATOM 493 C THR A 32 14.002 -3.262 7.896 1.00 0.00 C ATOM 494 O THR A 32 14.401 -2.710 8.922 1.00 0.00 O ATOM 495 CB THR A 32 12.365 -1.260 7.373 1.00 0.00 C ATOM 496 OG1 THR A 32 11.722 -1.366 8.635 1.00 0.00 O ATOM 497 CG2 THR A 32 11.340 -0.754 6.344 1.00 0.00 C ATOM 0 H THR A 32 11.314 -3.640 6.753 1.00 0.00 H new ATOM 0 HA THR A 32 13.779 -2.122 6.148 1.00 0.00 H new ATOM 0 HB THR A 32 13.179 -0.545 7.492 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.294 -0.513 8.857 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.853 0.143 6.726 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.848 -0.520 5.409 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.591 -1.526 6.167 1.00 0.00 H new ATOM 505 N GLU A 33 14.334 -4.519 7.613 1.00 0.00 N ATOM 506 CA GLU A 33 15.532 -5.175 8.103 1.00 0.00 C ATOM 507 C GLU A 33 16.296 -5.471 6.844 1.00 0.00 C ATOM 508 O GLU A 33 17.045 -4.605 6.382 1.00 0.00 O ATOM 509 CB GLU A 33 15.271 -6.425 8.965 1.00 0.00 C ATOM 510 CG GLU A 33 15.171 -6.097 10.458 1.00 0.00 C ATOM 511 CD GLU A 33 15.381 -7.346 11.319 1.00 0.00 C ATOM 512 OE1 GLU A 33 16.529 -7.848 11.388 1.00 0.00 O ATOM 513 OE2 GLU A 33 14.430 -7.827 11.968 1.00 0.00 O ATOM 0 H GLU A 33 13.760 -5.120 7.022 1.00 0.00 H new ATOM 0 HA GLU A 33 16.083 -4.545 8.801 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.347 -6.901 8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.074 -7.145 8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.916 -5.345 10.718 1.00 0.00 H new ATOM 0 HG3 GLU A 33 14.193 -5.665 10.673 1.00 0.00 H new ATOM 520 N SER A 34 16.086 -6.636 6.233 1.00 0.00 N ATOM 521 CA SER A 34 17.144 -7.117 5.369 1.00 0.00 C ATOM 522 C SER A 34 16.879 -6.698 3.916 1.00 0.00 C ATOM 523 O SER A 34 17.388 -7.330 2.991 1.00 0.00 O ATOM 524 CB SER A 34 17.190 -8.646 5.531 1.00 0.00 C ATOM 525 OG SER A 34 18.507 -9.147 5.444 1.00 0.00 O ATOM 0 H SER A 34 15.255 -7.222 6.313 1.00 0.00 H new ATOM 0 HA SER A 34 18.109 -6.687 5.639 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.760 -8.922 6.494 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.574 -9.111 4.762 1.00 0.00 H new ATOM 0 HG SER A 34 18.494 -10.121 5.553 1.00 0.00 H new ATOM 531 N GLY A 35 16.310 -5.505 3.706 1.00 0.00 N ATOM 532 CA GLY A 35 16.042 -4.870 2.417 1.00 0.00 C ATOM 533 C GLY A 35 15.412 -5.774 1.351 1.00 0.00 C ATOM 534 O GLY A 35 15.441 -5.427 0.171 1.00 0.00 O ATOM 0 H GLY A 35 16.006 -4.922 4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.382 -4.019 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.979 -4.475 2.025 1.00 0.00 H new ATOM 538 N ASN A 36 14.879 -6.936 1.744 1.00 0.00 N ATOM 539 CA ASN A 36 14.250 -7.869 0.827 1.00 0.00 C ATOM 540 C ASN A 36 12.963 -7.247 0.340 1.00 0.00 C ATOM 541 O ASN A 36 12.328 -6.454 1.044 1.00 0.00 O ATOM 542 CB ASN A 36 13.929 -9.219 1.498 1.00 0.00 C ATOM 543 CG ASN A 36 15.117 -10.167 1.567 1.00 0.00 C ATOM 544 OD1 ASN A 36 16.034 -10.102 0.755 1.00 0.00 O ATOM 545 ND2 ASN A 36 15.123 -11.103 2.493 1.00 0.00 N ATOM 0 H ASN A 36 14.876 -7.249 2.715 1.00 0.00 H new ATOM 0 HA ASN A 36 14.941 -8.066 0.007 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.564 -9.034 2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.121 -9.703 0.950 1.00 0.00 H new ATOM 0 HD21 ASN A 36 15.890 -11.774 2.535 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.361 -11.157 3.168 1.00 0.00 H new ATOM 552 N VAL A 37 12.547 -7.679 -0.840 1.00 0.00 N ATOM 553 CA VAL A 37 11.284 -7.308 -1.412 1.00 0.00 C ATOM 554 C VAL A 37 10.532 -8.554 -1.834 1.00 0.00 C ATOM 555 O VAL A 37 11.093 -9.534 -2.336 1.00 0.00 O ATOM 556 CB VAL A 37 11.428 -6.288 -2.556 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.252 -5.317 -2.417 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.741 -5.486 -2.594 1.00 0.00 C ATOM 0 H VAL A 37 13.094 -8.307 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 37 10.699 -6.795 -0.648 1.00 0.00 H new ATOM 0 HB VAL A 37 11.438 -6.855 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.304 -4.568 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.314 -5.867 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.300 -4.824 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.725 -4.802 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.846 -4.917 -1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.583 -6.171 -2.696 1.00 0.00 H new ATOM 568 N GLU A 38 9.225 -8.484 -1.663 1.00 0.00 N ATOM 569 CA GLU A 38 8.263 -9.519 -1.949 1.00 0.00 C ATOM 570 C GLU A 38 7.262 -8.885 -2.909 1.00 0.00 C ATOM 571 O GLU A 38 6.786 -7.781 -2.646 1.00 0.00 O ATOM 572 CB GLU A 38 7.677 -9.962 -0.597 1.00 0.00 C ATOM 573 CG GLU A 38 6.313 -10.665 -0.633 1.00 0.00 C ATOM 574 CD GLU A 38 6.446 -12.173 -0.477 1.00 0.00 C ATOM 575 OE1 GLU A 38 6.506 -12.649 0.679 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.393 -12.899 -1.499 1.00 0.00 O ATOM 0 H GLU A 38 8.782 -7.642 -1.295 1.00 0.00 H new ATOM 0 HA GLU A 38 8.656 -10.418 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.392 -10.632 -0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.589 -9.082 0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.681 -10.272 0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.814 -10.440 -1.576 1.00 0.00 H new ATOM 583 N VAL A 39 6.962 -9.558 -4.021 1.00 0.00 N ATOM 584 CA VAL A 39 5.862 -9.178 -4.900 1.00 0.00 C ATOM 585 C VAL A 39 4.688 -10.061 -4.504 1.00 0.00 C ATOM 586 O VAL A 39 4.681 -11.260 -4.788 1.00 0.00 O ATOM 587 CB VAL A 39 6.208 -9.333 -6.397 1.00 0.00 C ATOM 588 CG1 VAL A 39 5.053 -8.801 -7.271 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.527 -8.641 -6.764 1.00 0.00 C ATOM 0 H VAL A 39 7.476 -10.381 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 39 5.630 -8.120 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 39 6.342 -10.397 -6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.310 -8.916 -8.324 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.145 -9.364 -7.056 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.887 -7.746 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.727 -8.778 -7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.453 -7.576 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.340 -9.076 -6.183 1.00 0.00 H new ATOM 599 N VAL A 40 3.692 -9.482 -3.855 1.00 0.00 N ATOM 600 CA VAL A 40 2.355 -10.046 -3.854 1.00 0.00 C ATOM 601 C VAL A 40 1.697 -9.656 -5.183 1.00 0.00 C ATOM 602 O VAL A 40 1.930 -8.557 -5.682 1.00 0.00 O ATOM 603 CB VAL A 40 1.629 -9.497 -2.614 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.098 -9.560 -2.673 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.095 -10.266 -1.371 1.00 0.00 C ATOM 0 H VAL A 40 3.786 -8.618 -3.320 1.00 0.00 H new ATOM 0 HA VAL A 40 2.333 -11.134 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 40 1.891 -8.440 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.319 -9.150 -1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.258 -8.978 -3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.219 -10.597 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.582 -9.879 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.864 -11.324 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.171 -10.141 -1.248 1.00 0.00 H new ATOM 615 N GLU A 41 0.843 -10.524 -5.725 1.00 0.00 N ATOM 616 CA GLU A 41 -0.164 -10.221 -6.739 1.00 0.00 C ATOM 617 C GLU A 41 -1.523 -10.265 -6.031 1.00 0.00 C ATOM 618 O GLU A 41 -1.685 -11.025 -5.067 1.00 0.00 O ATOM 619 CB GLU A 41 -0.112 -11.305 -7.822 1.00 0.00 C ATOM 620 CG GLU A 41 -0.984 -10.987 -9.043 1.00 0.00 C ATOM 621 CD GLU A 41 -1.154 -12.222 -9.925 1.00 0.00 C ATOM 622 OE1 GLU A 41 -1.587 -13.271 -9.398 1.00 0.00 O ATOM 623 OE2 GLU A 41 -0.896 -12.151 -11.150 1.00 0.00 O ATOM 0 H GLU A 41 0.835 -11.507 -5.454 1.00 0.00 H new ATOM 0 HA GLU A 41 0.004 -9.249 -7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.921 -11.435 -8.146 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.433 -12.254 -7.392 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.961 -10.632 -8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.529 -10.182 -9.620 1.00 0.00 H new ATOM 630 N ASN A 42 -2.518 -9.494 -6.473 1.00 0.00 N ATOM 631 CA ASN A 42 -3.852 -9.527 -5.877 1.00 0.00 C ATOM 632 C ASN A 42 -4.868 -8.963 -6.854 1.00 0.00 C ATOM 633 O ASN A 42 -4.625 -7.913 -7.435 1.00 0.00 O ATOM 634 CB ASN A 42 -3.826 -8.689 -4.599 1.00 0.00 C ATOM 635 CG ASN A 42 -4.864 -9.034 -3.543 1.00 0.00 C ATOM 636 OD1 ASN A 42 -4.840 -8.416 -2.490 1.00 0.00 O ATOM 637 ND2 ASN A 42 -5.706 -10.040 -3.688 1.00 0.00 N ATOM 0 H ASN A 42 -2.423 -8.836 -7.246 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.136 -10.553 -5.643 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.837 -8.782 -4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.954 -7.642 -4.874 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.331 -10.296 -2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.732 -10.561 -4.565 1.00 0.00 H new ATOM 644 N THR A 43 -6.000 -9.636 -7.035 1.00 0.00 N ATOM 645 CA THR A 43 -6.882 -9.391 -8.170 1.00 0.00 C ATOM 646 C THR A 43 -8.261 -8.944 -7.669 1.00 0.00 C ATOM 647 O THR A 43 -9.291 -9.605 -7.823 1.00 0.00 O ATOM 648 CB THR A 43 -6.805 -10.601 -9.117 1.00 0.00 C ATOM 649 OG1 THR A 43 -7.017 -11.837 -8.447 1.00 0.00 O ATOM 650 CG2 THR A 43 -5.409 -10.691 -9.750 1.00 0.00 C ATOM 0 H THR A 43 -6.331 -10.364 -6.401 1.00 0.00 H new ATOM 0 HA THR A 43 -6.572 -8.550 -8.791 1.00 0.00 H new ATOM 0 HB THR A 43 -7.587 -10.445 -9.860 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.960 -12.573 -9.092 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.367 -11.551 -10.418 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.207 -9.782 -10.316 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.660 -10.804 -8.966 1.00 0.00 H new ATOM 658 N ILE A 44 -8.253 -7.813 -6.971 1.00 0.00 N ATOM 659 CA ILE A 44 -9.398 -7.175 -6.336 1.00 0.00 C ATOM 660 C ILE A 44 -10.249 -6.405 -7.363 1.00 0.00 C ATOM 661 O ILE A 44 -10.271 -5.167 -7.401 1.00 0.00 O ATOM 662 CB ILE A 44 -8.903 -6.276 -5.180 1.00 0.00 C ATOM 663 CG1 ILE A 44 -7.604 -5.490 -5.514 1.00 0.00 C ATOM 664 CG2 ILE A 44 -8.845 -7.096 -3.879 1.00 0.00 C ATOM 665 CD1 ILE A 44 -6.342 -5.960 -4.779 1.00 0.00 C ATOM 0 H ILE A 44 -7.392 -7.286 -6.825 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.054 -7.937 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.629 -5.477 -5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.425 -5.557 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.767 -4.437 -5.283 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.496 -6.462 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.839 -7.475 -3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.159 -7.933 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.494 -5.347 -5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.491 -5.865 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.143 -7.003 -5.027 1.00 0.00 H new ATOM 677 N ALA A 45 -11.019 -7.143 -8.155 1.00 0.00 N ATOM 678 CA ALA A 45 -11.912 -6.621 -9.189 1.00 0.00 C ATOM 679 C ALA A 45 -13.398 -6.747 -8.803 1.00 0.00 C ATOM 680 O ALA A 45 -14.238 -7.000 -9.668 1.00 0.00 O ATOM 681 CB ALA A 45 -11.606 -7.372 -10.493 1.00 0.00 C ATOM 0 H ALA A 45 -11.041 -8.161 -8.094 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.734 -5.553 -9.314 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.257 -7.005 -11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.565 -7.207 -10.772 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.778 -8.439 -10.347 1.00 0.00 H new ATOM 687 N ASP A 46 -13.773 -6.532 -7.538 1.00 0.00 N ATOM 688 CA ASP A 46 -15.183 -6.558 -7.115 1.00 0.00 C ATOM 689 C ASP A 46 -15.432 -5.524 -6.015 1.00 0.00 C ATOM 690 O ASP A 46 -14.522 -4.767 -5.650 1.00 0.00 O ATOM 691 CB ASP A 46 -15.608 -7.975 -6.679 1.00 0.00 C ATOM 692 CG ASP A 46 -17.038 -8.316 -7.114 1.00 0.00 C ATOM 693 OD1 ASP A 46 -17.999 -7.612 -6.730 1.00 0.00 O ATOM 694 OD2 ASP A 46 -17.217 -9.310 -7.861 1.00 0.00 O ATOM 0 H ASP A 46 -13.117 -6.336 -6.782 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.804 -6.289 -7.969 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.918 -8.705 -7.103 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.532 -8.057 -5.595 1.00 0.00 H new ATOM 699 N ALA A 47 -16.657 -5.474 -5.490 1.00 0.00 N ATOM 700 CA ALA A 47 -17.174 -4.435 -4.610 1.00 0.00 C ATOM 701 C ALA A 47 -17.479 -4.973 -3.201 1.00 0.00 C ATOM 702 O ALA A 47 -18.453 -4.548 -2.570 1.00 0.00 O ATOM 703 CB ALA A 47 -18.403 -3.835 -5.295 1.00 0.00 C ATOM 0 H ALA A 47 -17.350 -6.198 -5.680 1.00 0.00 H new ATOM 0 HA ALA A 47 -16.425 -3.659 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.823 -3.049 -4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -18.114 -3.414 -6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -19.150 -4.614 -5.450 1.00 0.00 H new ATOM 709 N HIS A 48 -16.620 -5.863 -2.690 1.00 0.00 N ATOM 710 CA HIS A 48 -16.825 -6.552 -1.418 1.00 0.00 C ATOM 711 C HIS A 48 -17.002 -5.554 -0.269 1.00 0.00 C ATOM 712 O HIS A 48 -16.415 -4.468 -0.277 1.00 0.00 O ATOM 713 CB HIS A 48 -15.633 -7.467 -1.096 1.00 0.00 C ATOM 714 CG HIS A 48 -15.356 -8.561 -2.097 1.00 0.00 C ATOM 715 ND1 HIS A 48 -15.760 -9.870 -1.988 1.00 0.00 N ATOM 716 CD2 HIS A 48 -14.526 -8.478 -3.181 1.00 0.00 C ATOM 717 CE1 HIS A 48 -15.208 -10.555 -3.004 1.00 0.00 C ATOM 718 NE2 HIS A 48 -14.427 -9.753 -3.751 1.00 0.00 N ATOM 0 H HIS A 48 -15.752 -6.126 -3.158 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.731 -7.149 -1.519 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.739 -6.849 -1.004 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.804 -7.926 -0.122 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.033 -7.585 -3.535 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.369 -11.606 -3.195 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -13.875 -10.020 -4.566 1.00 0.00 H new ATOM 726 N GLY A 49 -17.771 -5.956 0.745 1.00 0.00 N ATOM 727 CA GLY A 49 -17.975 -5.193 1.962 1.00 0.00 C ATOM 728 C GLY A 49 -17.118 -5.705 3.116 1.00 0.00 C ATOM 729 O GLY A 49 -16.742 -4.904 3.969 1.00 0.00 O ATOM 0 H GLY A 49 -18.277 -6.842 0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -17.740 -4.145 1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -19.027 -5.239 2.245 1.00 0.00 H new ATOM 733 N THR A 50 -16.797 -7.000 3.187 1.00 0.00 N ATOM 734 CA THR A 50 -16.010 -7.557 4.284 1.00 0.00 C ATOM 735 C THR A 50 -15.129 -8.696 3.768 1.00 0.00 C ATOM 736 O THR A 50 -15.343 -9.209 2.664 1.00 0.00 O ATOM 737 CB THR A 50 -16.957 -7.972 5.430 1.00 0.00 C ATOM 738 OG1 THR A 50 -16.256 -8.295 6.619 1.00 0.00 O ATOM 739 CG2 THR A 50 -17.850 -9.165 5.082 1.00 0.00 C ATOM 0 H THR A 50 -17.076 -7.687 2.487 1.00 0.00 H new ATOM 0 HA THR A 50 -15.329 -6.810 4.693 1.00 0.00 H new ATOM 0 HB THR A 50 -17.582 -7.092 5.586 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.895 -8.550 7.317 1.00 0.00 H new ATOM 0 HG21 THR A 50 -18.489 -9.402 5.933 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.470 -8.916 4.221 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.228 -10.028 4.844 1.00 0.00 H new ATOM 747 N GLY A 51 -14.149 -9.085 4.587 1.00 0.00 N ATOM 748 CA GLY A 51 -13.049 -9.937 4.183 1.00 0.00 C ATOM 749 C GLY A 51 -12.079 -9.065 3.400 1.00 0.00 C ATOM 750 O GLY A 51 -12.346 -8.797 2.231 1.00 0.00 O ATOM 0 H GLY A 51 -14.105 -8.806 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.559 -10.374 5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.406 -10.764 3.570 1.00 0.00 H new ATOM 754 N PRO A 52 -10.981 -8.569 3.993 1.00 0.00 N ATOM 755 CA PRO A 52 -10.081 -7.691 3.270 1.00 0.00 C ATOM 756 C PRO A 52 -9.456 -8.420 2.078 1.00 0.00 C ATOM 757 O PRO A 52 -9.276 -7.818 1.025 1.00 0.00 O ATOM 758 CB PRO A 52 -9.064 -7.236 4.293 1.00 0.00 C ATOM 759 CG PRO A 52 -8.995 -8.372 5.307 1.00 0.00 C ATOM 760 CD PRO A 52 -10.438 -8.892 5.307 1.00 0.00 C ATOM 0 HA PRO A 52 -10.588 -6.831 2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.092 -7.058 3.832 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.369 -6.302 4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.284 -9.142 5.008 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.688 -8.021 6.292 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.466 -9.967 5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.023 -8.421 6.097 1.00 0.00 H new ATOM 768 N LYS A 53 -9.120 -9.707 2.235 1.00 0.00 N ATOM 769 CA LYS A 53 -8.151 -10.464 1.444 1.00 0.00 C ATOM 770 C LYS A 53 -6.793 -9.776 1.412 1.00 0.00 C ATOM 771 O LYS A 53 -5.877 -10.252 2.077 1.00 0.00 O ATOM 772 CB LYS A 53 -8.741 -10.969 0.116 1.00 0.00 C ATOM 773 CG LYS A 53 -8.399 -10.218 -1.175 1.00 0.00 C ATOM 774 CD LYS A 53 -9.323 -10.657 -2.317 1.00 0.00 C ATOM 775 CE LYS A 53 -10.675 -9.959 -2.144 1.00 0.00 C ATOM 776 NZ LYS A 53 -11.792 -10.690 -2.773 1.00 0.00 N ATOM 0 H LYS A 53 -9.546 -10.279 2.964 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.925 -11.404 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.428 -12.005 -0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.826 -10.974 0.217 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.496 -9.144 -1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.361 -10.407 -1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.884 -10.398 -3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.451 -11.739 -2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.881 -9.839 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.617 -8.958 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.528 -10.016 -3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.444 -11.204 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.192 -11.367 -2.092 1.00 0.00 H new ATOM 790 N VAL A 54 -6.688 -8.618 0.763 1.00 0.00 N ATOM 791 CA VAL A 54 -5.482 -7.833 0.628 1.00 0.00 C ATOM 792 C VAL A 54 -4.842 -7.626 1.997 1.00 0.00 C ATOM 793 O VAL A 54 -3.740 -8.103 2.239 1.00 0.00 O ATOM 794 CB VAL A 54 -5.783 -6.546 -0.178 1.00 0.00 C ATOM 795 CG1 VAL A 54 -6.772 -5.551 0.443 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.493 -5.796 -0.508 1.00 0.00 C ATOM 0 H VAL A 54 -7.487 -8.188 0.297 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.726 -8.359 0.045 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.278 -6.933 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.893 -4.696 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.736 -6.038 0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.390 -5.211 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.730 -4.896 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.986 -5.520 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.841 -6.437 -1.102 1.00 0.00 H new ATOM 806 N VAL A 55 -5.551 -6.969 2.912 1.00 0.00 N ATOM 807 CA VAL A 55 -5.086 -6.693 4.263 1.00 0.00 C ATOM 808 C VAL A 55 -4.736 -7.992 4.964 1.00 0.00 C ATOM 809 O VAL A 55 -3.585 -8.073 5.362 1.00 0.00 O ATOM 810 CB VAL A 55 -6.087 -5.783 5.001 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.502 -5.175 6.255 1.00 0.00 C ATOM 812 CG2 VAL A 55 -6.587 -4.628 4.106 1.00 0.00 C ATOM 0 H VAL A 55 -6.486 -6.607 2.727 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.158 -6.121 4.247 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.918 -6.436 5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.249 -4.543 6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.204 -5.969 6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.631 -4.573 5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.290 -4.012 4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.740 -4.018 3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.084 -5.038 3.227 1.00 0.00 H new ATOM 822 N GLN A 56 -5.621 -8.999 5.043 1.00 0.00 N ATOM 823 CA GLN A 56 -5.313 -10.247 5.745 1.00 0.00 C ATOM 824 C GLN A 56 -3.943 -10.788 5.292 1.00 0.00 C ATOM 825 O GLN A 56 -3.087 -11.071 6.127 1.00 0.00 O ATOM 826 CB GLN A 56 -6.409 -11.327 5.630 1.00 0.00 C ATOM 827 CG GLN A 56 -7.632 -11.082 6.540 1.00 0.00 C ATOM 828 CD GLN A 56 -7.873 -12.142 7.613 1.00 0.00 C ATOM 829 OE1 GLN A 56 -8.511 -13.162 7.355 1.00 0.00 O ATOM 830 NE2 GLN A 56 -7.449 -11.905 8.841 1.00 0.00 N ATOM 0 H GLN A 56 -6.553 -8.970 4.629 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.273 -9.998 6.805 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.745 -11.380 4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.976 -12.297 5.875 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.512 -10.115 7.029 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.522 -11.014 5.914 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.921 -11.056 9.043 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.650 -12.571 9.587 1.00 0.00 H new ATOM 839 N SER A 57 -3.703 -10.831 3.977 1.00 0.00 N ATOM 840 CA SER A 57 -2.482 -11.333 3.363 1.00 0.00 C ATOM 841 C SER A 57 -1.267 -10.457 3.659 1.00 0.00 C ATOM 842 O SER A 57 -0.229 -10.991 4.048 1.00 0.00 O ATOM 843 CB SER A 57 -2.721 -11.483 1.853 1.00 0.00 C ATOM 844 OG SER A 57 -2.132 -12.670 1.367 1.00 0.00 O ATOM 0 H SER A 57 -4.383 -10.504 3.291 1.00 0.00 H new ATOM 0 HA SER A 57 -2.247 -12.305 3.798 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.792 -11.493 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.305 -10.624 1.327 1.00 0.00 H new ATOM 0 HG SER A 57 -2.297 -12.747 0.404 1.00 0.00 H new ATOM 850 N LEU A 58 -1.349 -9.142 3.450 1.00 0.00 N ATOM 851 CA LEU A 58 -0.212 -8.240 3.644 1.00 0.00 C ATOM 852 C LEU A 58 0.179 -8.199 5.119 1.00 0.00 C ATOM 853 O LEU A 58 1.353 -8.191 5.470 1.00 0.00 O ATOM 854 CB LEU A 58 -0.571 -6.827 3.157 1.00 0.00 C ATOM 855 CG LEU A 58 -0.853 -6.713 1.648 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.243 -5.279 1.310 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.317 -7.110 0.765 1.00 0.00 C ATOM 0 H LEU A 58 -2.201 -8.674 3.143 1.00 0.00 H new ATOM 0 HA LEU A 58 0.634 -8.610 3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.449 -6.483 3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.247 -6.152 3.411 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.662 -7.415 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.443 -5.198 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.138 -5.004 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.428 -4.607 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.036 -7.001 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.170 -6.467 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.586 -8.148 0.962 1.00 0.00 H new ATOM 869 N VAL A 59 -0.814 -8.208 5.998 1.00 0.00 N ATOM 870 CA VAL A 59 -0.651 -8.317 7.435 1.00 0.00 C ATOM 871 C VAL A 59 0.019 -9.653 7.782 1.00 0.00 C ATOM 872 O VAL A 59 0.961 -9.667 8.569 1.00 0.00 O ATOM 873 CB VAL A 59 -2.048 -8.114 8.035 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.177 -8.588 9.476 1.00 0.00 C ATOM 875 CG2 VAL A 59 -2.424 -6.624 7.958 1.00 0.00 C ATOM 0 H VAL A 59 -1.791 -8.137 5.715 1.00 0.00 H new ATOM 0 HA VAL A 59 0.014 -7.565 7.859 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.728 -8.728 7.444 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.193 -8.410 9.828 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.956 -9.654 9.530 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.475 -8.040 10.104 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.417 -6.477 8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.698 -6.036 8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.425 -6.302 6.917 1.00 0.00 H new ATOM 885 N SER A 60 -0.362 -10.756 7.130 1.00 0.00 N ATOM 886 CA SER A 60 0.342 -12.033 7.226 1.00 0.00 C ATOM 887 C SER A 60 1.768 -12.020 6.647 1.00 0.00 C ATOM 888 O SER A 60 2.426 -13.068 6.618 1.00 0.00 O ATOM 889 CB SER A 60 -0.476 -13.122 6.529 1.00 0.00 C ATOM 890 OG SER A 60 -1.040 -13.988 7.488 1.00 0.00 O ATOM 0 H SER A 60 -1.176 -10.785 6.516 1.00 0.00 H new ATOM 0 HA SER A 60 0.449 -12.235 8.292 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.264 -12.668 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.160 -13.686 5.847 1.00 0.00 H new ATOM 0 HG SER A 60 -1.564 -14.681 7.035 1.00 0.00 H new ATOM 896 N LYS A 61 2.239 -10.876 6.149 1.00 0.00 N ATOM 897 CA LYS A 61 3.609 -10.646 5.719 1.00 0.00 C ATOM 898 C LYS A 61 4.123 -9.399 6.452 1.00 0.00 C ATOM 899 O LYS A 61 4.919 -8.642 5.898 1.00 0.00 O ATOM 900 CB LYS A 61 3.584 -10.479 4.186 1.00 0.00 C ATOM 901 CG LYS A 61 3.216 -11.782 3.448 1.00 0.00 C ATOM 902 CD LYS A 61 2.631 -11.500 2.059 1.00 0.00 C ATOM 903 CE LYS A 61 2.597 -12.735 1.148 1.00 0.00 C ATOM 904 NZ LYS A 61 3.908 -13.388 0.962 1.00 0.00 N ATOM 0 H LYS A 61 1.648 -10.053 6.031 1.00 0.00 H new ATOM 0 HA LYS A 61 4.282 -11.469 5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.867 -9.702 3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.562 -10.138 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.103 -12.408 3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.494 -12.344 4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.618 -11.113 2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.219 -10.719 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.899 -13.461 1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.208 -12.442 0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.981 -13.748 -0.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.667 -12.698 1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.000 -14.178 1.632 1.00 0.00 H new ATOM 918 N GLY A 62 3.730 -9.239 7.721 1.00 0.00 N ATOM 919 CA GLY A 62 4.290 -8.310 8.697 1.00 0.00 C ATOM 920 C GLY A 62 4.229 -6.823 8.338 1.00 0.00 C ATOM 921 O GLY A 62 4.981 -6.035 8.918 1.00 0.00 O ATOM 0 H GLY A 62 2.966 -9.790 8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.769 -8.454 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.333 -8.578 8.864 1.00 0.00 H new ATOM 925 N VAL A 63 3.393 -6.428 7.374 1.00 0.00 N ATOM 926 CA VAL A 63 3.324 -5.073 6.839 1.00 0.00 C ATOM 927 C VAL A 63 2.804 -4.095 7.896 1.00 0.00 C ATOM 928 O VAL A 63 1.594 -4.037 8.145 1.00 0.00 O ATOM 929 CB VAL A 63 2.515 -5.113 5.525 1.00 0.00 C ATOM 930 CG1 VAL A 63 2.194 -3.729 4.972 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.241 -5.868 4.402 1.00 0.00 C ATOM 0 H VAL A 63 2.728 -7.064 6.934 1.00 0.00 H new ATOM 0 HA VAL A 63 4.313 -4.690 6.589 1.00 0.00 H new ATOM 0 HB VAL A 63 1.598 -5.629 5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.624 -3.829 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.606 -3.173 5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.122 -3.194 4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.625 -5.863 3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.193 -5.380 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.421 -6.897 4.713 1.00 0.00 H new ATOM 941 N GLU A 64 3.720 -3.325 8.494 1.00 0.00 N ATOM 942 CA GLU A 64 3.466 -2.334 9.553 1.00 0.00 C ATOM 943 C GLU A 64 3.514 -0.890 9.006 1.00 0.00 C ATOM 944 O GLU A 64 3.837 0.062 9.720 1.00 0.00 O ATOM 945 CB GLU A 64 4.605 -2.507 10.587 1.00 0.00 C ATOM 946 CG GLU A 64 4.385 -3.622 11.609 1.00 0.00 C ATOM 947 CD GLU A 64 4.001 -3.008 12.968 1.00 0.00 C ATOM 948 OE1 GLU A 64 2.807 -2.688 13.196 1.00 0.00 O ATOM 949 OE2 GLU A 64 4.898 -2.723 13.795 1.00 0.00 O ATOM 0 H GLU A 64 4.707 -3.376 8.243 1.00 0.00 H new ATOM 0 HA GLU A 64 2.476 -2.492 9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.534 -2.703 10.052 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.737 -1.566 11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.598 -4.293 11.266 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.291 -4.219 11.711 1.00 0.00 H new ATOM 956 N TYR A 65 3.038 -0.667 7.785 1.00 0.00 N ATOM 957 CA TYR A 65 3.207 0.562 7.020 1.00 0.00 C ATOM 958 C TYR A 65 2.557 0.328 5.660 1.00 0.00 C ATOM 959 O TYR A 65 2.193 -0.800 5.324 1.00 0.00 O ATOM 960 CB TYR A 65 4.688 0.853 6.744 1.00 0.00 C ATOM 961 CG TYR A 65 5.470 1.681 7.725 1.00 0.00 C ATOM 962 CD1 TYR A 65 5.093 3.008 7.997 1.00 0.00 C ATOM 963 CD2 TYR A 65 6.668 1.169 8.241 1.00 0.00 C ATOM 964 CE1 TYR A 65 5.890 3.804 8.832 1.00 0.00 C ATOM 965 CE2 TYR A 65 7.455 1.948 9.102 1.00 0.00 C ATOM 966 CZ TYR A 65 7.078 3.280 9.384 1.00 0.00 C ATOM 967 OH TYR A 65 7.883 4.085 10.123 1.00 0.00 O ATOM 0 H TYR A 65 2.500 -1.371 7.280 1.00 0.00 H new ATOM 0 HA TYR A 65 2.773 1.390 7.581 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.197 -0.106 6.645 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.750 1.348 5.775 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.191 3.414 7.563 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.986 0.172 7.975 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.594 4.819 9.053 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.346 1.531 9.548 1.00 0.00 H new ATOM 0 HH TYR A 65 8.660 3.575 10.433 1.00 0.00 H new ATOM 977 N LEU A 66 2.474 1.365 4.834 1.00 0.00 N ATOM 978 CA LEU A 66 1.930 1.318 3.494 1.00 0.00 C ATOM 979 C LEU A 66 2.161 2.693 2.877 1.00 0.00 C ATOM 980 O LEU A 66 2.058 3.695 3.571 1.00 0.00 O ATOM 981 CB LEU A 66 0.437 0.965 3.604 1.00 0.00 C ATOM 982 CG LEU A 66 -0.418 1.318 2.389 1.00 0.00 C ATOM 983 CD1 LEU A 66 -0.026 0.597 1.089 1.00 0.00 C ATOM 984 CD2 LEU A 66 -1.871 0.948 2.686 1.00 0.00 C ATOM 0 H LEU A 66 2.799 2.296 5.096 1.00 0.00 H new ATOM 0 HA LEU A 66 2.403 0.566 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.348 -0.106 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.025 1.474 4.475 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.264 2.385 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.690 0.912 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.003 0.847 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.113 -0.480 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.493 1.195 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.940 -0.121 2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.218 1.505 3.556 1.00 0.00 H new ATOM 996 N ILE A 67 2.406 2.754 1.576 1.00 0.00 N ATOM 997 CA ILE A 67 2.558 3.968 0.788 1.00 0.00 C ATOM 998 C ILE A 67 1.385 3.970 -0.178 1.00 0.00 C ATOM 999 O ILE A 67 1.384 3.174 -1.109 1.00 0.00 O ATOM 1000 CB ILE A 67 3.929 3.893 0.084 1.00 0.00 C ATOM 1001 CG1 ILE A 67 5.056 3.982 1.148 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.155 5.064 -0.880 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.363 3.305 0.745 1.00 0.00 C ATOM 0 H ILE A 67 2.510 1.911 1.011 1.00 0.00 H new ATOM 0 HA ILE A 67 2.545 4.892 1.365 1.00 0.00 H new ATOM 0 HB ILE A 67 3.945 2.954 -0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.256 5.032 1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.699 3.532 2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.134 4.965 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.381 5.058 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.111 6.003 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.093 3.416 1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.183 2.246 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.748 3.769 -0.163 1.00 0.00 H new ATOM 1015 N ALA A 68 0.350 4.775 0.049 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.929 4.709 -0.648 1.00 0.00 C ATOM 1017 C ALA A 68 -1.649 6.056 -0.520 1.00 0.00 C ATOM 1018 O ALA A 68 -2.276 6.339 0.503 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.823 3.625 -0.056 1.00 0.00 C ATOM 0 H ALA A 68 0.381 5.517 0.748 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.732 4.474 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.770 3.599 -0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.329 2.658 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.011 3.842 0.995 1.00 0.00 H new ATOM 1025 N SER A 69 -1.607 6.861 -1.570 1.00 0.00 N ATOM 1026 CA SER A 69 -2.268 8.165 -1.674 1.00 0.00 C ATOM 1027 C SER A 69 -3.802 8.097 -1.540 1.00 0.00 C ATOM 1028 O SER A 69 -4.432 9.117 -1.251 1.00 0.00 O ATOM 1029 CB SER A 69 -1.763 8.841 -2.962 1.00 0.00 C ATOM 1030 OG SER A 69 -2.560 9.892 -3.455 1.00 0.00 O ATOM 0 H SER A 69 -1.089 6.618 -2.415 1.00 0.00 H new ATOM 0 HA SER A 69 -1.996 8.787 -0.821 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.760 9.226 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.676 8.081 -3.739 1.00 0.00 H new ATOM 0 HG SER A 69 -2.155 10.255 -4.271 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.437 6.932 -1.699 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.869 6.765 -1.450 1.00 0.00 C ATOM 1038 C ASN A 70 -6.179 5.269 -1.334 1.00 0.00 C ATOM 1039 O ASN A 70 -5.308 4.433 -1.596 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.663 7.337 -2.646 1.00 0.00 C ATOM 1041 CG ASN A 70 -7.650 8.423 -2.262 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -8.850 8.261 -2.473 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -7.191 9.531 -1.716 1.00 0.00 N ATOM 0 H ASN A 70 -3.971 6.078 -2.004 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.146 7.285 -0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.961 7.739 -3.377 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.202 6.525 -3.134 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.836 10.278 -1.458 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.191 9.642 -1.551 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.433 4.879 -1.071 1.00 0.00 N ATOM 1051 CA VAL A 71 -7.820 3.481 -0.893 1.00 0.00 C ATOM 1052 C VAL A 71 -8.982 3.129 -1.831 1.00 0.00 C ATOM 1053 O VAL A 71 -9.761 3.988 -2.232 1.00 0.00 O ATOM 1054 CB VAL A 71 -8.081 3.252 0.618 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.466 3.632 1.138 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -7.839 1.830 1.098 1.00 0.00 C ATOM 0 H VAL A 71 -8.210 5.533 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.030 2.788 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.341 3.941 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.523 3.425 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.641 4.694 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.224 3.049 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.047 1.766 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.496 1.147 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.800 1.556 0.914 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.123 1.838 -2.141 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.284 1.201 -2.781 1.00 0.00 C ATOM 1068 C GLY A 72 -11.572 1.225 -1.926 1.00 0.00 C ATOM 1069 O GLY A 72 -12.430 0.363 -2.086 1.00 0.00 O ATOM 0 H GLY A 72 -8.384 1.164 -1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.482 1.701 -3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.034 0.166 -3.012 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.686 2.121 -0.936 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.861 2.386 -0.086 1.00 0.00 C ATOM 1075 C ARG A 73 -13.340 1.227 0.804 1.00 0.00 C ATOM 1076 O ARG A 73 -14.298 1.389 1.549 1.00 0.00 O ATOM 1077 CB ARG A 73 -14.000 2.963 -0.944 1.00 0.00 C ATOM 1078 CG ARG A 73 -14.893 3.956 -0.175 1.00 0.00 C ATOM 1079 CD ARG A 73 -16.235 4.193 -0.884 1.00 0.00 C ATOM 1080 NE ARG A 73 -17.387 3.683 -0.118 1.00 0.00 N ATOM 1081 CZ ARG A 73 -17.962 2.476 -0.172 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -17.464 1.505 -0.932 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -19.055 2.239 0.540 1.00 0.00 N ATOM 0 H ARG A 73 -10.903 2.726 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.525 3.121 0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.574 3.465 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.615 2.145 -1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.076 3.575 0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.368 4.905 -0.065 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.365 5.261 -1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.214 3.712 -1.862 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.802 4.340 0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.627 1.673 -1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.919 0.593 -0.957 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.452 2.975 1.124 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.498 1.321 0.503 1.00 0.00 H new ATOM 1097 N ASN A 74 -12.681 0.072 0.780 1.00 0.00 N ATOM 1098 CA ASN A 74 -12.926 -1.049 1.680 1.00 0.00 C ATOM 1099 C ASN A 74 -11.539 -1.551 2.059 1.00 0.00 C ATOM 1100 O ASN A 74 -10.863 -2.129 1.208 1.00 0.00 O ATOM 1101 CB ASN A 74 -13.830 -2.123 1.028 1.00 0.00 C ATOM 1102 CG ASN A 74 -13.184 -2.908 -0.112 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -12.904 -4.097 0.010 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -12.902 -2.280 -1.243 1.00 0.00 N ATOM 0 H ASN A 74 -11.936 -0.115 0.109 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.484 -0.761 2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.147 -2.826 1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.730 -1.638 0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.454 -2.784 -2.008 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.133 -1.292 -1.349 1.00 0.00 H new ATOM 1111 N ALA A 75 -11.042 -1.195 3.252 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.690 -1.505 3.741 1.00 0.00 C ATOM 1113 C ALA A 75 -9.252 -0.642 4.910 1.00 0.00 C ATOM 1114 O ALA A 75 -8.519 -1.160 5.741 1.00 0.00 O ATOM 1115 CB ALA A 75 -8.619 -1.271 2.663 1.00 0.00 C ATOM 0 H ALA A 75 -11.590 -0.664 3.928 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.764 -2.551 4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.636 -1.513 3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.824 -1.908 1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.637 -0.226 2.353 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.556 0.665 4.925 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.825 1.603 5.783 1.00 0.00 C ATOM 1123 C PHE A 76 -8.908 1.151 7.220 1.00 0.00 C ATOM 1124 O PHE A 76 -7.883 1.111 7.880 1.00 0.00 O ATOM 1125 CB PHE A 76 -9.362 3.030 5.627 1.00 0.00 C ATOM 1126 CG PHE A 76 -8.849 4.072 6.628 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -9.531 4.332 7.837 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -7.709 4.843 6.326 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -9.151 5.408 8.660 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -7.305 5.900 7.164 1.00 0.00 C ATOM 1131 CZ PHE A 76 -8.043 6.200 8.322 1.00 0.00 C ATOM 0 H PHE A 76 -10.292 1.089 4.361 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.779 1.612 5.476 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.121 3.376 4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.449 2.994 5.700 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.353 3.698 8.133 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.136 4.620 5.438 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.714 5.625 9.555 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.428 6.480 6.917 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.759 7.034 8.947 1.00 0.00 H new ATOM 1141 N GLU A 77 -10.091 0.755 7.672 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.358 0.319 9.030 1.00 0.00 C ATOM 1143 C GLU A 77 -9.593 -0.961 9.336 1.00 0.00 C ATOM 1144 O GLU A 77 -8.976 -1.056 10.391 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.871 0.154 9.181 1.00 0.00 C ATOM 1146 CG GLU A 77 -12.505 1.552 9.059 1.00 0.00 C ATOM 1147 CD GLU A 77 -13.862 1.598 8.382 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -14.162 0.745 7.520 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -14.581 2.595 8.631 1.00 0.00 O ATOM 0 H GLU A 77 -10.920 0.729 7.078 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.013 1.057 9.754 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.262 -0.513 8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.113 -0.294 10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.603 1.976 10.058 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.821 2.195 8.506 1.00 0.00 H new ATOM 1156 N THR A 78 -9.522 -1.895 8.392 1.00 0.00 N ATOM 1157 CA THR A 78 -8.731 -3.103 8.532 1.00 0.00 C ATOM 1158 C THR A 78 -7.228 -2.785 8.560 1.00 0.00 C ATOM 1159 O THR A 78 -6.454 -3.589 9.078 1.00 0.00 O ATOM 1160 CB THR A 78 -9.115 -4.087 7.404 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.500 -3.992 7.106 1.00 0.00 O ATOM 1162 CG2 THR A 78 -8.848 -5.532 7.816 1.00 0.00 C ATOM 0 H THR A 78 -10.018 -1.830 7.503 1.00 0.00 H new ATOM 0 HA THR A 78 -8.949 -3.579 9.488 1.00 0.00 H new ATOM 0 HB THR A 78 -8.510 -3.820 6.538 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.724 -4.621 6.389 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.128 -6.200 7.002 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.788 -5.657 8.040 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.436 -5.773 8.701 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.797 -1.608 8.075 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.395 -1.224 8.131 1.00 0.00 C ATOM 1172 C LEU A 79 -5.128 -0.852 9.580 1.00 0.00 C ATOM 1173 O LEU A 79 -4.203 -1.356 10.198 1.00 0.00 O ATOM 1174 CB LEU A 79 -5.039 -0.122 7.095 1.00 0.00 C ATOM 1175 CG LEU A 79 -5.089 -0.597 5.620 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -4.959 0.568 4.622 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.964 -1.590 5.312 1.00 0.00 C ATOM 0 H LEU A 79 -7.406 -0.914 7.642 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.734 -2.040 7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.727 0.714 7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.039 0.254 7.310 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.063 -1.072 5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.000 0.181 3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.777 1.272 4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.008 1.077 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.029 -1.902 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.000 -1.113 5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.061 -2.462 5.959 1.00 0.00 H new ATOM 1189 N LYS A 80 -6.006 -0.047 10.167 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.945 0.348 11.564 1.00 0.00 C ATOM 1191 C LYS A 80 -6.090 -0.855 12.492 1.00 0.00 C ATOM 1192 O LYS A 80 -5.437 -0.889 13.532 1.00 0.00 O ATOM 1193 CB LYS A 80 -6.973 1.437 11.893 1.00 0.00 C ATOM 1194 CG LYS A 80 -7.779 2.084 10.787 1.00 0.00 C ATOM 1195 CD LYS A 80 -7.062 3.244 10.073 1.00 0.00 C ATOM 1196 CE LYS A 80 -5.576 2.953 9.899 1.00 0.00 C ATOM 1197 NZ LYS A 80 -4.823 4.039 9.258 1.00 0.00 N ATOM 0 H LYS A 80 -6.799 0.358 9.669 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.957 0.776 11.734 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.682 1.008 12.601 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.443 2.234 12.415 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.037 1.324 10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.715 2.454 11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.519 3.411 9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.190 4.162 10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.139 2.751 10.877 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.461 2.046 9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.064 3.636 8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.463 4.599 8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.408 4.652 9.989 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.902 -1.843 12.116 1.00 0.00 N ATOM 1212 CA ALA A 81 -7.096 -3.049 12.896 1.00 0.00 C ATOM 1213 C ALA A 81 -5.759 -3.752 13.115 1.00 0.00 C ATOM 1214 O ALA A 81 -5.452 -4.132 14.245 1.00 0.00 O ATOM 1215 CB ALA A 81 -8.110 -3.970 12.217 1.00 0.00 C ATOM 0 H ALA A 81 -7.445 -1.821 11.253 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.499 -2.780 13.872 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.243 -4.870 12.817 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.065 -3.453 12.122 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.746 -4.244 11.227 1.00 0.00 H new ATOM 1221 N ALA A 82 -4.931 -3.881 12.073 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.588 -4.424 12.227 1.00 0.00 C ATOM 1223 C ALA A 82 -2.550 -3.301 12.397 1.00 0.00 C ATOM 1224 O ALA A 82 -1.401 -3.471 11.996 1.00 0.00 O ATOM 1225 CB ALA A 82 -3.315 -5.244 10.960 1.00 0.00 C ATOM 0 H ALA A 82 -5.172 -3.616 11.118 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.513 -5.042 13.121 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.317 -5.679 11.016 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.054 -6.041 10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.379 -4.596 10.086 1.00 0.00 H new ATOM 1231 N GLY A 83 -2.898 -2.214 13.089 1.00 0.00 N ATOM 1232 CA GLY A 83 -2.084 -1.032 13.361 1.00 0.00 C ATOM 1233 C GLY A 83 -1.189 -0.527 12.228 1.00 0.00 C ATOM 1234 O GLY A 83 -0.133 0.049 12.495 1.00 0.00 O ATOM 0 H GLY A 83 -3.826 -2.133 13.504 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.752 -0.221 13.652 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.451 -1.248 14.222 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.602 -0.695 10.977 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.802 -0.434 9.793 1.00 0.00 C ATOM 1240 C VAL A 84 -0.808 1.065 9.533 1.00 0.00 C ATOM 1241 O VAL A 84 -1.870 1.687 9.390 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.357 -1.243 8.599 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.454 -1.173 7.362 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.549 -2.720 8.951 1.00 0.00 C ATOM 0 H VAL A 84 -2.540 -1.030 10.755 1.00 0.00 H new ATOM 0 HA VAL A 84 0.230 -0.753 9.938 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.317 -0.781 8.370 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.895 -1.760 6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.354 -0.136 7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.530 -1.574 7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.941 -3.253 8.084 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.591 -3.153 9.241 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.252 -2.808 9.779 1.00 0.00 H new ATOM 1254 N LYS A 85 0.396 1.638 9.442 1.00 0.00 N ATOM 1255 CA LYS A 85 0.540 3.045 9.109 1.00 0.00 C ATOM 1256 C LYS A 85 0.351 3.186 7.596 1.00 0.00 C ATOM 1257 O LYS A 85 0.466 2.209 6.862 1.00 0.00 O ATOM 1258 CB LYS A 85 1.922 3.562 9.560 1.00 0.00 C ATOM 1259 CG LYS A 85 1.814 4.696 10.592 1.00 0.00 C ATOM 1260 CD LYS A 85 3.202 5.256 10.945 1.00 0.00 C ATOM 1261 CE LYS A 85 3.151 6.340 12.031 1.00 0.00 C ATOM 1262 NZ LYS A 85 2.946 5.773 13.377 1.00 0.00 N ATOM 0 H LYS A 85 1.276 1.146 9.595 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.207 3.646 9.627 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.493 2.738 9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.476 3.917 8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.186 5.494 10.196 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.327 4.326 11.494 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.842 4.441 11.282 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.660 5.670 10.047 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.080 6.910 12.017 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.345 7.039 11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.918 6.542 14.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.047 5.251 13.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.728 5.126 13.604 1.00 0.00 H new ATOM 1276 N VAL A 86 0.042 4.381 7.106 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.288 4.635 5.706 1.00 0.00 C ATOM 1278 C VAL A 86 0.306 6.004 5.388 1.00 0.00 C ATOM 1279 O VAL A 86 0.122 6.957 6.152 1.00 0.00 O ATOM 1280 CB VAL A 86 -1.817 4.605 5.503 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.166 4.816 4.022 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.431 3.270 5.980 1.00 0.00 C ATOM 0 H VAL A 86 0.013 5.221 7.684 1.00 0.00 H new ATOM 0 HA VAL A 86 0.118 3.875 5.038 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.236 5.414 6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.248 4.792 3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.784 5.782 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.714 4.024 3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.509 3.288 5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.994 2.446 5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.224 3.133 7.041 1.00 0.00 H new ATOM 1292 N TYR A 87 1.027 6.115 4.281 1.00 0.00 N ATOM 1293 CA TYR A 87 1.550 7.346 3.724 1.00 0.00 C ATOM 1294 C TYR A 87 0.774 7.714 2.477 1.00 0.00 C ATOM 1295 O TYR A 87 0.207 6.840 1.834 1.00 0.00 O ATOM 1296 CB TYR A 87 3.038 7.168 3.372 1.00 0.00 C ATOM 1297 CG TYR A 87 3.986 7.516 4.503 1.00 0.00 C ATOM 1298 CD1 TYR A 87 4.161 6.668 5.610 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.686 8.726 4.452 1.00 0.00 C ATOM 1300 CE1 TYR A 87 5.016 7.054 6.662 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.539 9.125 5.486 1.00 0.00 C ATOM 1302 CZ TYR A 87 5.705 8.290 6.609 1.00 0.00 C ATOM 1303 OH TYR A 87 6.525 8.669 7.625 1.00 0.00 O ATOM 0 H TYR A 87 1.274 5.300 3.719 1.00 0.00 H new ATOM 0 HA TYR A 87 1.447 8.143 4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.209 6.134 3.074 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.274 7.791 2.509 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.641 5.722 5.655 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.565 9.368 3.592 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.146 6.403 7.514 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.066 10.066 5.424 1.00 0.00 H new ATOM 0 HH TYR A 87 6.916 9.544 7.421 1.00 0.00 H new ATOM 1313 N ARG A 88 0.798 8.988 2.104 1.00 0.00 N ATOM 1314 CA ARG A 88 0.474 9.430 0.761 1.00 0.00 C ATOM 1315 C ARG A 88 1.705 9.195 -0.113 1.00 0.00 C ATOM 1316 O ARG A 88 2.808 9.058 0.398 1.00 0.00 O ATOM 1317 CB ARG A 88 0.082 10.916 0.802 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.363 11.511 -0.557 1.00 0.00 C ATOM 1319 CD ARG A 88 -1.731 12.197 -0.543 1.00 0.00 C ATOM 1320 NE ARG A 88 -1.699 13.370 0.334 1.00 0.00 N ATOM 1321 CZ ARG A 88 -2.688 14.209 0.641 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -3.876 14.137 0.044 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -2.470 15.122 1.575 1.00 0.00 N ATOM 0 H ARG A 88 1.046 9.749 2.736 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.369 8.877 0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.728 11.043 1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.931 11.490 1.173 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.386 12.233 -0.884 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.381 10.712 -1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.006 12.497 -1.554 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.493 11.498 -0.200 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.798 13.572 0.768 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.047 13.427 -0.668 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.615 14.792 0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.563 15.170 2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.209 15.777 1.830 1.00 0.00 H new ATOM 1337 N PHE A 89 1.502 9.158 -1.421 1.00 0.00 N ATOM 1338 CA PHE A 89 2.529 9.315 -2.441 1.00 0.00 C ATOM 1339 C PHE A 89 2.029 10.316 -3.500 1.00 0.00 C ATOM 1340 O PHE A 89 0.815 10.478 -3.617 1.00 0.00 O ATOM 1341 CB PHE A 89 2.867 7.908 -2.957 1.00 0.00 C ATOM 1342 CG PHE A 89 2.508 7.608 -4.395 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.151 7.483 -4.740 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.494 7.411 -5.377 1.00 0.00 C ATOM 1345 CE1 PHE A 89 0.753 7.195 -6.055 1.00 0.00 C ATOM 1346 CE2 PHE A 89 3.089 7.128 -6.685 1.00 0.00 C ATOM 1347 CZ PHE A 89 1.734 7.033 -7.040 1.00 0.00 C ATOM 0 H PHE A 89 0.574 9.011 -1.819 1.00 0.00 H new ATOM 0 HA PHE A 89 3.460 9.745 -2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.938 7.748 -2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.361 7.182 -2.321 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.398 7.611 -3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.542 7.477 -5.127 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.294 7.100 -6.303 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.841 6.978 -7.445 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.451 6.837 -8.064 1.00 0.00 H new ATOM 1357 N GLU A 90 2.873 10.966 -4.311 1.00 0.00 N ATOM 1358 CA GLU A 90 2.387 11.925 -5.318 1.00 0.00 C ATOM 1359 C GLU A 90 2.970 11.632 -6.705 1.00 0.00 C ATOM 1360 O GLU A 90 3.851 12.324 -7.213 1.00 0.00 O ATOM 1361 CB GLU A 90 2.482 13.398 -4.871 1.00 0.00 C ATOM 1362 CG GLU A 90 3.862 13.934 -4.450 1.00 0.00 C ATOM 1363 CD GLU A 90 3.859 15.464 -4.289 1.00 0.00 C ATOM 1364 OE1 GLU A 90 3.008 15.996 -3.534 1.00 0.00 O ATOM 1365 OE2 GLU A 90 4.708 16.149 -4.908 1.00 0.00 O ATOM 0 H GLU A 90 3.886 10.849 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 90 1.313 11.768 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.117 14.020 -5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.799 13.538 -4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.160 13.471 -3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.605 13.649 -5.195 1.00 0.00 H new ATOM 1372 N GLY A 91 2.445 10.578 -7.327 1.00 0.00 N ATOM 1373 CA GLY A 91 2.935 10.019 -8.582 1.00 0.00 C ATOM 1374 C GLY A 91 4.284 9.327 -8.388 1.00 0.00 C ATOM 1375 O GLY A 91 4.969 9.547 -7.388 1.00 0.00 O ATOM 0 H GLY A 91 1.639 10.074 -6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.210 9.305 -8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.033 10.812 -9.323 1.00 0.00 H new ATOM 1379 N GLY A 92 4.652 8.436 -9.312 1.00 0.00 N ATOM 1380 CA GLY A 92 5.875 7.650 -9.202 1.00 0.00 C ATOM 1381 C GLY A 92 5.672 6.189 -9.568 1.00 0.00 C ATOM 1382 O GLY A 92 4.561 5.654 -9.532 1.00 0.00 O ATOM 0 H GLY A 92 4.110 8.242 -10.154 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.637 8.080 -9.852 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.252 7.715 -8.182 1.00 0.00 H new ATOM 1386 N THR A 93 6.778 5.523 -9.854 1.00 0.00 N ATOM 1387 CA THR A 93 6.870 4.085 -9.976 1.00 0.00 C ATOM 1388 C THR A 93 7.374 3.538 -8.634 1.00 0.00 C ATOM 1389 O THR A 93 7.777 4.322 -7.779 1.00 0.00 O ATOM 1390 CB THR A 93 7.727 3.766 -11.216 1.00 0.00 C ATOM 1391 OG1 THR A 93 8.796 4.683 -11.405 1.00 0.00 O ATOM 1392 CG2 THR A 93 6.899 3.930 -12.494 1.00 0.00 C ATOM 0 H THR A 93 7.670 5.992 -10.013 1.00 0.00 H new ATOM 0 HA THR A 93 5.918 3.585 -10.155 1.00 0.00 H new ATOM 0 HB THR A 93 8.091 2.753 -11.044 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.306 4.431 -12.203 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.519 3.701 -13.361 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.048 3.249 -12.466 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.540 4.957 -12.566 1.00 0.00 H new ATOM 1400 N VAL A 94 7.259 2.231 -8.371 1.00 0.00 N ATOM 1401 CA VAL A 94 7.447 1.657 -7.040 1.00 0.00 C ATOM 1402 C VAL A 94 8.675 2.190 -6.291 1.00 0.00 C ATOM 1403 O VAL A 94 8.546 2.403 -5.091 1.00 0.00 O ATOM 1404 CB VAL A 94 7.348 0.123 -7.119 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.828 -0.572 -5.841 1.00 0.00 C ATOM 1406 CG2 VAL A 94 5.898 -0.309 -7.380 1.00 0.00 C ATOM 0 H VAL A 94 7.031 1.539 -9.085 1.00 0.00 H new ATOM 0 HA VAL A 94 6.631 2.001 -6.404 1.00 0.00 H new ATOM 0 HB VAL A 94 7.999 -0.177 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.734 -1.652 -5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.872 -0.316 -5.658 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.220 -0.243 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.846 -1.396 -7.433 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.261 0.046 -6.570 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.556 0.117 -8.323 1.00 0.00 H new ATOM 1416 N GLN A 95 9.812 2.457 -6.937 1.00 0.00 N ATOM 1417 CA GLN A 95 10.988 2.989 -6.257 1.00 0.00 C ATOM 1418 C GLN A 95 10.792 4.388 -5.667 1.00 0.00 C ATOM 1419 O GLN A 95 11.322 4.649 -4.596 1.00 0.00 O ATOM 1420 CB GLN A 95 12.207 2.919 -7.192 1.00 0.00 C ATOM 1421 CG GLN A 95 13.550 2.748 -6.458 1.00 0.00 C ATOM 1422 CD GLN A 95 14.621 2.139 -7.372 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.609 2.309 -8.589 1.00 0.00 O ATOM 1424 NE2 GLN A 95 15.535 1.334 -6.858 1.00 0.00 N ATOM 0 H GLN A 95 9.940 2.311 -7.938 1.00 0.00 H new ATOM 0 HA GLN A 95 11.166 2.354 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.074 2.087 -7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.245 3.829 -7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.891 3.717 -6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.410 2.110 -5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.567 1.176 -5.851 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.208 0.871 -7.469 1.00 0.00 H new ATOM 1433 N GLU A 96 9.988 5.250 -6.283 1.00 0.00 N ATOM 1434 CA GLU A 96 9.691 6.611 -5.864 1.00 0.00 C ATOM 1435 C GLU A 96 8.920 6.566 -4.564 1.00 0.00 C ATOM 1436 O GLU A 96 9.213 7.339 -3.664 1.00 0.00 O ATOM 1437 CB GLU A 96 8.774 7.279 -6.903 1.00 0.00 C ATOM 1438 CG GLU A 96 9.427 7.578 -8.255 1.00 0.00 C ATOM 1439 CD GLU A 96 10.765 8.297 -8.115 1.00 0.00 C ATOM 1440 OE1 GLU A 96 10.762 9.515 -7.841 1.00 0.00 O ATOM 1441 OE2 GLU A 96 11.822 7.643 -8.258 1.00 0.00 O ATOM 0 H GLU A 96 9.497 4.998 -7.141 1.00 0.00 H new ATOM 0 HA GLU A 96 10.626 7.161 -5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.911 6.634 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.398 8.213 -6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.576 6.644 -8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.751 8.189 -8.853 1.00 0.00 H new ATOM 1448 N ALA A 97 7.943 5.663 -4.438 1.00 0.00 N ATOM 1449 CA ALA A 97 7.232 5.465 -3.191 1.00 0.00 C ATOM 1450 C ALA A 97 8.184 5.243 -2.012 1.00 0.00 C ATOM 1451 O ALA A 97 7.843 5.586 -0.886 1.00 0.00 O ATOM 1452 CB ALA A 97 6.248 4.305 -3.397 1.00 0.00 C ATOM 0 H ALA A 97 7.631 5.057 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 97 6.677 6.365 -2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.695 4.129 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.551 4.557 -4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.799 3.404 -3.667 1.00 0.00 H new ATOM 1458 N ILE A 98 9.368 4.686 -2.250 1.00 0.00 N ATOM 1459 CA ILE A 98 10.326 4.314 -1.220 1.00 0.00 C ATOM 1460 C ILE A 98 11.295 5.457 -1.075 1.00 0.00 C ATOM 1461 O ILE A 98 11.512 5.916 0.027 1.00 0.00 O ATOM 1462 CB ILE A 98 11.142 3.067 -1.629 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.318 2.077 -2.428 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.827 2.407 -0.420 1.00 0.00 C ATOM 1465 CD1 ILE A 98 9.053 1.567 -1.739 1.00 0.00 C ATOM 0 H ILE A 98 9.694 4.476 -3.193 1.00 0.00 H new ATOM 0 HA ILE A 98 9.786 4.095 -0.299 1.00 0.00 H new ATOM 0 HB ILE A 98 11.935 3.415 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.034 2.545 -3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.947 1.221 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.390 1.535 -0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.506 3.120 0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.071 2.098 0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.538 0.866 -2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.322 1.064 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.395 2.407 -1.519 1.00 0.00 H new ATOM 1477 N ASP A 99 11.913 5.904 -2.160 1.00 0.00 N ATOM 1478 CA ASP A 99 12.940 6.932 -2.172 1.00 0.00 C ATOM 1479 C ASP A 99 12.367 8.248 -1.681 1.00 0.00 C ATOM 1480 O ASP A 99 13.084 9.051 -1.096 1.00 0.00 O ATOM 1481 CB ASP A 99 13.563 7.052 -3.572 1.00 0.00 C ATOM 1482 CG ASP A 99 14.950 6.419 -3.546 1.00 0.00 C ATOM 1483 OD1 ASP A 99 15.849 6.931 -2.841 1.00 0.00 O ATOM 1484 OD2 ASP A 99 15.125 5.317 -4.117 1.00 0.00 O ATOM 0 H ASP A 99 11.703 5.545 -3.091 1.00 0.00 H new ATOM 0 HA ASP A 99 13.741 6.651 -1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.934 6.553 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.631 8.099 -3.867 1.00 0.00 H new ATOM 1489 N ALA A 100 11.053 8.426 -1.825 1.00 0.00 N ATOM 1490 CA ALA A 100 10.375 9.565 -1.236 1.00 0.00 C ATOM 1491 C ALA A 100 10.243 9.347 0.286 1.00 0.00 C ATOM 1492 O ALA A 100 10.738 10.144 1.082 1.00 0.00 O ATOM 1493 CB ALA A 100 9.051 9.761 -1.981 1.00 0.00 C ATOM 0 H ALA A 100 10.444 7.793 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 100 10.936 10.493 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.518 10.613 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.251 9.946 -3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.440 8.864 -1.879 1.00 0.00 H new ATOM 1499 N PHE A 101 9.612 8.244 0.701 1.00 0.00 N ATOM 1500 CA PHE A 101 9.335 7.896 2.099 1.00 0.00 C ATOM 1501 C PHE A 101 10.596 7.761 2.954 1.00 0.00 C ATOM 1502 O PHE A 101 10.632 8.235 4.086 1.00 0.00 O ATOM 1503 CB PHE A 101 8.546 6.580 2.104 1.00 0.00 C ATOM 1504 CG PHE A 101 8.615 5.756 3.379 1.00 0.00 C ATOM 1505 CD1 PHE A 101 7.857 6.114 4.509 1.00 0.00 C ATOM 1506 CD2 PHE A 101 9.483 4.645 3.443 1.00 0.00 C ATOM 1507 CE1 PHE A 101 7.957 5.356 5.691 1.00 0.00 C ATOM 1508 CE2 PHE A 101 9.559 3.876 4.616 1.00 0.00 C ATOM 1509 CZ PHE A 101 8.796 4.230 5.742 1.00 0.00 C ATOM 0 H PHE A 101 9.267 7.542 0.047 1.00 0.00 H new ATOM 0 HA PHE A 101 8.763 8.708 2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.500 6.808 1.901 1.00 0.00 H new ATOM 0 HB3 PHE A 101 8.904 5.964 1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 101 7.199 6.970 4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 101 10.090 4.386 2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.386 5.641 6.562 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.205 3.011 4.653 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.854 3.638 6.644 1.00 0.00 H new ATOM 1519 N SER A 102 11.616 7.091 2.426 1.00 0.00 N ATOM 1520 CA SER A 102 12.861 6.761 3.110 1.00 0.00 C ATOM 1521 C SER A 102 13.688 8.012 3.402 1.00 0.00 C ATOM 1522 O SER A 102 14.613 7.964 4.222 1.00 0.00 O ATOM 1523 CB SER A 102 13.648 5.733 2.288 1.00 0.00 C ATOM 1524 OG SER A 102 13.965 6.187 0.988 1.00 0.00 O ATOM 0 H SER A 102 11.596 6.748 1.466 1.00 0.00 H new ATOM 0 HA SER A 102 12.623 6.316 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.570 5.485 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.066 4.814 2.214 1.00 0.00 H new ATOM 0 HG SER A 102 13.142 6.275 0.463 1.00 0.00 H new ATOM 1530 N GLU A 103 13.321 9.135 2.780 1.00 0.00 N ATOM 1531 CA GLU A 103 13.891 10.439 3.048 1.00 0.00 C ATOM 1532 C GLU A 103 12.784 11.371 3.505 1.00 0.00 C ATOM 1533 O GLU A 103 12.889 12.592 3.379 1.00 0.00 O ATOM 1534 CB GLU A 103 14.435 10.917 1.688 1.00 0.00 C ATOM 1535 CG GLU A 103 15.510 9.995 1.084 1.00 0.00 C ATOM 1536 CD GLU A 103 16.902 10.566 1.308 1.00 0.00 C ATOM 1537 OE1 GLU A 103 17.189 11.113 2.398 1.00 0.00 O ATOM 1538 OE2 GLU A 103 17.712 10.537 0.359 1.00 0.00 O ATOM 0 H GLU A 103 12.600 9.153 2.059 1.00 0.00 H new ATOM 0 HA GLU A 103 14.663 10.415 3.817 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.606 11.000 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.853 11.917 1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.441 9.005 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.331 9.871 0.016 1.00 0.00 H new ATOM 1545 N GLY A 104 11.823 10.826 4.242 1.00 0.00 N ATOM 1546 CA GLY A 104 10.709 11.522 4.833 1.00 0.00 C ATOM 1547 C GLY A 104 9.877 12.419 3.907 1.00 0.00 C ATOM 1548 O GLY A 104 8.935 13.039 4.404 1.00 0.00 O ATOM 0 H GLY A 104 11.809 9.827 4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.043 10.781 5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.088 12.137 5.649 1.00 0.00 H new ATOM 1552 N ARG A 105 10.151 12.493 2.597 1.00 0.00 N ATOM 1553 CA ARG A 105 9.510 13.385 1.627 1.00 0.00 C ATOM 1554 C ARG A 105 8.173 12.824 1.164 1.00 0.00 C ATOM 1555 O ARG A 105 7.850 12.904 -0.021 1.00 0.00 O ATOM 1556 CB ARG A 105 10.401 13.593 0.393 1.00 0.00 C ATOM 1557 CG ARG A 105 11.735 14.293 0.633 1.00 0.00 C ATOM 1558 CD ARG A 105 12.428 14.526 -0.709 1.00 0.00 C ATOM 1559 NE ARG A 105 11.858 15.655 -1.459 1.00 0.00 N ATOM 1560 CZ ARG A 105 12.312 16.080 -2.643 1.00 0.00 C ATOM 1561 NH1 ARG A 105 13.275 15.426 -3.282 1.00 0.00 N ATOM 1562 NH2 ARG A 105 11.807 17.178 -3.182 1.00 0.00 N ATOM 0 H ARG A 105 10.862 11.902 2.166 1.00 0.00 H new ATOM 0 HA ARG A 105 9.353 14.338 2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.601 12.619 -0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.839 14.170 -0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.574 15.243 1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 105 12.367 13.686 1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.489 14.709 -0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 105 12.354 13.621 -1.312 1.00 0.00 H new ATOM 0 HE ARG A 105 11.064 16.147 -1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 105 13.680 14.585 -2.870 1.00 0.00 H new ATOM 0 HH12 ARG A 105 13.609 15.764 -4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 105 11.075 17.695 -2.695 1.00 0.00 H new ATOM 0 HH22 ARG A 105 12.149 17.507 -4.085 1.00 0.00 H new ATOM 1576 N LEU A 106 7.395 12.238 2.056 1.00 0.00 N ATOM 1577 CA LEU A 106 6.005 11.929 1.806 1.00 0.00 C ATOM 1578 C LEU A 106 5.211 12.506 2.980 1.00 0.00 C ATOM 1579 O LEU A 106 5.725 13.303 3.776 1.00 0.00 O ATOM 1580 CB LEU A 106 5.838 10.409 1.614 1.00 0.00 C ATOM 1581 CG LEU A 106 6.374 9.826 0.299 1.00 0.00 C ATOM 1582 CD1 LEU A 106 5.986 8.344 0.211 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.812 10.497 -0.970 1.00 0.00 C ATOM 0 H LEU A 106 7.717 11.962 2.983 1.00 0.00 H new ATOM 0 HA LEU A 106 5.628 12.375 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.337 9.903 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.777 10.170 1.687 1.00 0.00 H new ATOM 0 HG LEU A 106 7.451 9.994 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.364 7.924 -0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.418 7.804 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.900 8.250 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.243 10.024 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.728 10.385 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.067 11.557 -0.965 1.00 0.00 H new ATOM 1595 N GLU A 107 3.950 12.114 3.114 1.00 0.00 N ATOM 1596 CA GLU A 107 3.091 12.481 4.233 1.00 0.00 C ATOM 1597 C GLU A 107 2.500 11.206 4.792 1.00 0.00 C ATOM 1598 O GLU A 107 2.235 10.286 4.033 1.00 0.00 O ATOM 1599 CB GLU A 107 1.891 13.306 3.762 1.00 0.00 C ATOM 1600 CG GLU A 107 2.176 14.426 2.764 1.00 0.00 C ATOM 1601 CD GLU A 107 0.834 14.861 2.180 1.00 0.00 C ATOM 1602 OE1 GLU A 107 -0.098 15.183 2.953 1.00 0.00 O ATOM 1603 OE2 GLU A 107 0.634 14.706 0.955 1.00 0.00 O ATOM 0 H GLU A 107 3.485 11.517 2.430 1.00 0.00 H new ATOM 0 HA GLU A 107 3.686 13.046 4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.167 12.627 3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.415 13.745 4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.671 15.263 3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.844 14.079 1.976 1.00 0.00 H new ATOM 1610 N GLU A 108 2.121 11.199 6.061 1.00 0.00 N ATOM 1611 CA GLU A 108 1.275 10.208 6.651 1.00 0.00 C ATOM 1612 C GLU A 108 -0.154 10.562 6.225 1.00 0.00 C ATOM 1613 O GLU A 108 -0.559 11.730 6.286 1.00 0.00 O ATOM 1614 CB GLU A 108 1.554 10.314 8.149 1.00 0.00 C ATOM 1615 CG GLU A 108 0.620 9.402 8.907 1.00 0.00 C ATOM 1616 CD GLU A 108 0.812 9.436 10.415 1.00 0.00 C ATOM 1617 OE1 GLU A 108 1.879 8.994 10.880 1.00 0.00 O ATOM 1618 OE2 GLU A 108 -0.160 9.871 11.085 1.00 0.00 O ATOM 0 H GLU A 108 2.413 11.918 6.723 1.00 0.00 H new ATOM 0 HA GLU A 108 1.440 9.174 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.589 10.043 8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.421 11.344 8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.409 9.679 8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.762 8.380 8.556 1.00 0.00 H new ATOM 1625 N LEU A 109 -0.902 9.571 5.748 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.272 9.703 5.283 1.00 0.00 C ATOM 1627 C LEU A 109 -3.177 8.854 6.170 1.00 0.00 C ATOM 1628 O LEU A 109 -3.667 7.795 5.779 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.375 9.336 3.801 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.692 9.833 3.184 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.681 11.334 2.885 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -4.006 9.055 1.922 1.00 0.00 C ATOM 0 H LEU A 109 -0.552 8.616 5.673 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.602 10.739 5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.533 9.768 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.305 8.254 3.688 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.471 9.662 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.637 11.626 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.518 11.888 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.880 11.559 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.941 9.417 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.201 9.192 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.102 7.996 2.162 1.00 0.00 H new ATOM 1644 N THR A 110 -3.385 9.286 7.408 1.00 0.00 N ATOM 1645 CA THR A 110 -4.009 8.462 8.440 1.00 0.00 C ATOM 1646 C THR A 110 -5.380 9.026 8.818 1.00 0.00 C ATOM 1647 O THR A 110 -5.851 8.873 9.944 1.00 0.00 O ATOM 1648 CB THR A 110 -3.003 8.412 9.602 1.00 0.00 C ATOM 1649 OG1 THR A 110 -2.530 9.730 9.851 1.00 0.00 O ATOM 1650 CG2 THR A 110 -1.844 7.487 9.195 1.00 0.00 C ATOM 0 H THR A 110 -3.126 10.220 7.727 1.00 0.00 H new ATOM 0 HA THR A 110 -4.218 7.446 8.106 1.00 0.00 H new ATOM 0 HB THR A 110 -3.467 8.028 10.510 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.866 9.709 10.571 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.117 7.436 10.006 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.230 6.488 8.991 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.362 7.880 8.300 1.00 0.00 H new ATOM 1658 N THR A 111 -6.076 9.529 7.801 1.00 0.00 N ATOM 1659 CA THR A 111 -7.405 10.123 7.820 1.00 0.00 C ATOM 1660 C THR A 111 -7.591 10.648 6.399 1.00 0.00 C ATOM 1661 O THR A 111 -6.893 11.561 5.946 1.00 0.00 O ATOM 1662 CB THR A 111 -7.617 11.183 8.931 1.00 0.00 C ATOM 1663 OG1 THR A 111 -8.920 11.727 8.789 1.00 0.00 O ATOM 1664 CG2 THR A 111 -6.566 12.305 8.976 1.00 0.00 C ATOM 0 H THR A 111 -5.686 9.530 6.859 1.00 0.00 H new ATOM 0 HA THR A 111 -8.172 9.396 8.087 1.00 0.00 H new ATOM 0 HB THR A 111 -7.499 10.665 9.883 1.00 0.00 H new ATOM 0 HG1 THR A 111 -9.072 12.399 9.486 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.804 12.994 9.787 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.580 11.873 9.144 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.569 12.844 8.029 1.00 0.00 H new ATOM 1672 N PHE A 112 -8.419 9.957 5.631 1.00 0.00 N ATOM 1673 CA PHE A 112 -8.846 10.322 4.296 1.00 0.00 C ATOM 1674 C PHE A 112 -10.107 9.517 4.011 1.00 0.00 C ATOM 1675 O PHE A 112 -10.395 8.515 4.682 1.00 0.00 O ATOM 1676 CB PHE A 112 -7.781 10.029 3.247 1.00 0.00 C ATOM 1677 CG PHE A 112 -7.383 8.581 3.169 1.00 0.00 C ATOM 1678 CD1 PHE A 112 -6.512 8.012 4.115 1.00 0.00 C ATOM 1679 CD2 PHE A 112 -7.938 7.790 2.157 1.00 0.00 C ATOM 1680 CE1 PHE A 112 -6.167 6.658 4.028 1.00 0.00 C ATOM 1681 CE2 PHE A 112 -7.633 6.430 2.106 1.00 0.00 C ATOM 1682 CZ PHE A 112 -6.754 5.856 3.040 1.00 0.00 C ATOM 0 H PHE A 112 -8.832 9.078 5.943 1.00 0.00 H new ATOM 0 HA PHE A 112 -9.029 11.395 4.245 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -8.149 10.347 2.272 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -6.896 10.627 3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -6.108 8.621 4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -8.597 8.229 1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.453 6.234 4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -8.077 5.811 1.340 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.531 4.800 2.997 1.00 0.00 H new ATOM 1692 N THR A 113 -10.816 9.903 2.965 1.00 0.00 N ATOM 1693 CA THR A 113 -11.998 9.219 2.454 1.00 0.00 C ATOM 1694 C THR A 113 -12.006 9.373 0.929 1.00 0.00 C ATOM 1695 O THR A 113 -11.166 10.076 0.354 1.00 0.00 O ATOM 1696 CB THR A 113 -13.274 9.775 3.136 1.00 0.00 C ATOM 1697 OG1 THR A 113 -13.197 11.176 3.306 1.00 0.00 O ATOM 1698 CG2 THR A 113 -13.499 9.195 4.537 1.00 0.00 C ATOM 0 H THR A 113 -10.577 10.734 2.425 1.00 0.00 H new ATOM 0 HA THR A 113 -11.978 8.155 2.688 1.00 0.00 H new ATOM 0 HB THR A 113 -14.091 9.491 2.472 1.00 0.00 H new ATOM 0 HG1 THR A 113 -14.016 11.499 3.737 1.00 0.00 H new ATOM 0 HG21 THR A 113 -14.406 9.620 4.965 1.00 0.00 H new ATOM 0 HG22 THR A 113 -13.602 8.112 4.470 1.00 0.00 H new ATOM 0 HG23 THR A 113 -12.648 9.440 5.173 1.00 0.00 H new ATOM 1706 N ARG A 114 -12.927 8.704 0.238 1.00 0.00 N ATOM 1707 CA ARG A 114 -13.251 9.020 -1.145 1.00 0.00 C ATOM 1708 C ARG A 114 -14.724 8.764 -1.328 1.00 0.00 C ATOM 1709 O ARG A 114 -15.216 7.687 -0.984 1.00 0.00 O ATOM 1710 CB ARG A 114 -12.404 8.182 -2.118 1.00 0.00 C ATOM 1711 CG ARG A 114 -12.594 8.597 -3.588 1.00 0.00 C ATOM 1712 CD ARG A 114 -11.933 9.942 -3.907 1.00 0.00 C ATOM 1713 NE ARG A 114 -10.500 9.770 -4.186 1.00 0.00 N ATOM 1714 CZ ARG A 114 -9.774 10.416 -5.103 1.00 0.00 C ATOM 1715 NH1 ARG A 114 -10.235 11.520 -5.675 1.00 0.00 N ATOM 1716 NH2 ARG A 114 -8.592 9.931 -5.456 1.00 0.00 N ATOM 0 H ARG A 114 -13.467 7.929 0.624 1.00 0.00 H new ATOM 0 HA ARG A 114 -13.022 10.063 -1.365 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.352 8.279 -1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -12.666 7.130 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -12.176 7.827 -4.237 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -13.659 8.657 -3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.423 10.397 -4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.065 10.625 -3.067 1.00 0.00 H new ATOM 0 HE ARG A 114 -10.006 9.082 -3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -11.152 11.884 -5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -9.673 12.005 -6.374 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -8.245 9.072 -5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -8.030 10.416 -6.155 1.00 0.00 H new ATOM 1730 N GLU A 115 -15.419 9.718 -1.916 1.00 0.00 N ATOM 1731 CA GLU A 115 -16.827 9.638 -2.223 1.00 0.00 C ATOM 1732 C GLU A 115 -16.991 10.226 -3.616 1.00 0.00 C ATOM 1733 O GLU A 115 -17.073 11.442 -3.782 1.00 0.00 O ATOM 1734 CB GLU A 115 -17.595 10.371 -1.126 1.00 0.00 C ATOM 1735 CG GLU A 115 -19.103 10.317 -1.370 1.00 0.00 C ATOM 1736 CD GLU A 115 -19.840 10.673 -0.086 1.00 0.00 C ATOM 1737 OE1 GLU A 115 -19.915 11.875 0.266 1.00 0.00 O ATOM 1738 OE2 GLU A 115 -20.295 9.735 0.601 1.00 0.00 O ATOM 0 H GLU A 115 -14.999 10.602 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.228 8.624 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -17.365 9.925 -0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -17.269 11.410 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.378 11.011 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.392 9.320 -1.703 1.00 0.00 H new ATOM 1745 N GLY A 116 -16.868 9.379 -4.630 1.00 0.00 N ATOM 1746 CA GLY A 116 -17.064 9.747 -6.019 1.00 0.00 C ATOM 1747 C GLY A 116 -17.679 8.564 -6.711 1.00 0.00 C ATOM 1748 O GLY A 116 -18.786 8.154 -6.314 1.00 0.00 O ATOM 0 H GLY A 116 -16.624 8.397 -4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -17.713 10.619 -6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -16.115 10.014 -6.484 1.00 0.00 H new TER 1752 GLY A 116