USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 722 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 19 MET CE :methyl 165:sc=-0.000324 (180deg=-0.0355) USER MOD Set 1.2: A 20 ASN : amide:sc= -0.0336 K(o=-0.034,f=-0.58) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0342 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 11:sc= 1 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 36:sc= 0.525 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 65:sc= 0.989 USER MOD Single : A 14 LYS NZ :NH3+ -170:sc=-0.00529 (180deg=-0.102) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.204 X(o=0.2,f=-0.0014) USER MOD Single : A 27 GLN : amide:sc= -0.755 K(o=-0.75,f=-2.6!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 136:sc= -1.79! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.1 USER MOD Single : A 39 GLN : amide:sc=-0.00242 X(o=-0.0024,f=-0.1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.015) USER MOD Single : A 49 THR OG1 : rot 91:sc= 0.322 USER MOD Single : A 50 MET CE :methyl -114:sc= -0.203 (180deg=-2.39!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 66:sc= 0.474 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -131:sc= -0.0689 (180deg=-0.78) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -4.1! C(o=-4.1!,f=-5.4!) USER MOD Single : A 76 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.537) USER MOD Single : A 79 GLN : amide:sc= -0.0376 X(o=-0.038,f=0) USER MOD Single : A 81 MET CE :methyl -164:sc= -1.42 (180deg=-2.87!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 36:sc= 0.147 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.055 5.534 20.898 1.00 0.00 N ATOM 2 CA GLY A 1 7.296 4.315 20.689 1.00 0.00 C ATOM 3 C GLY A 1 8.186 3.103 20.495 1.00 0.00 C ATOM 4 O GLY A 1 9.303 3.220 19.991 1.00 0.00 O ATOM 0 H1 GLY A 1 7.957 5.839 21.888 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.058 5.359 20.687 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.694 6.280 20.269 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.641 4.148 21.544 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.655 4.435 19.815 1.00 0.00 H new ATOM 8 N SER A 2 7.692 1.937 20.898 1.00 0.00 N ATOM 9 CA SER A 2 8.453 0.700 20.771 1.00 0.00 C ATOM 10 C SER A 2 8.048 -0.060 19.511 1.00 0.00 C ATOM 11 O SER A 2 6.864 -0.175 19.196 1.00 0.00 O ATOM 12 CB SER A 2 8.242 -0.183 22.003 1.00 0.00 C ATOM 13 OG SER A 2 9.067 0.234 23.076 1.00 0.00 O ATOM 0 H SER A 2 6.768 1.823 21.315 1.00 0.00 H new ATOM 0 HA SER A 2 9.509 0.959 20.695 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.196 -0.144 22.308 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.462 -1.221 21.753 1.00 0.00 H new ATOM 0 HG SER A 2 8.912 -0.345 23.852 1.00 0.00 H new ATOM 19 N SER A 3 9.041 -0.577 18.795 1.00 0.00 N ATOM 20 CA SER A 3 8.790 -1.323 17.567 1.00 0.00 C ATOM 21 C SER A 3 10.015 -2.138 17.166 1.00 0.00 C ATOM 22 O SER A 3 11.065 -1.584 16.842 1.00 0.00 O ATOM 23 CB SER A 3 8.406 -0.368 16.435 1.00 0.00 C ATOM 24 OG SER A 3 9.530 0.369 15.986 1.00 0.00 O ATOM 0 H SER A 3 10.027 -0.493 19.044 1.00 0.00 H new ATOM 0 HA SER A 3 7.963 -2.009 17.751 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.983 -0.934 15.605 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.632 0.317 16.780 1.00 0.00 H new ATOM 0 HG SER A 3 10.347 -0.015 16.368 1.00 0.00 H new ATOM 30 N GLY A 4 9.873 -3.460 17.191 1.00 0.00 N ATOM 31 CA GLY A 4 10.976 -4.332 16.829 1.00 0.00 C ATOM 32 C GLY A 4 10.570 -5.394 15.827 1.00 0.00 C ATOM 33 O GLY A 4 9.613 -5.214 15.074 1.00 0.00 O ATOM 0 H GLY A 4 9.014 -3.943 17.455 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.786 -3.734 16.412 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.365 -4.813 17.727 1.00 0.00 H new ATOM 37 N SER A 5 11.299 -6.505 15.817 1.00 0.00 N ATOM 38 CA SER A 5 11.013 -7.599 14.896 1.00 0.00 C ATOM 39 C SER A 5 11.868 -8.821 15.222 1.00 0.00 C ATOM 40 O SER A 5 13.093 -8.781 15.114 1.00 0.00 O ATOM 41 CB SER A 5 11.263 -7.158 13.453 1.00 0.00 C ATOM 42 OG SER A 5 10.703 -8.080 12.534 1.00 0.00 O ATOM 0 H SER A 5 12.092 -6.672 16.436 1.00 0.00 H new ATOM 0 HA SER A 5 9.963 -7.871 15.008 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.831 -6.170 13.291 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.335 -7.070 13.277 1.00 0.00 H new ATOM 0 HG SER A 5 10.875 -7.775 11.619 1.00 0.00 H new ATOM 48 N SER A 6 11.211 -9.905 15.620 1.00 0.00 N ATOM 49 CA SER A 6 11.910 -11.138 15.966 1.00 0.00 C ATOM 50 C SER A 6 10.925 -12.291 16.136 1.00 0.00 C ATOM 51 O SER A 6 10.087 -12.278 17.036 1.00 0.00 O ATOM 52 CB SER A 6 12.718 -10.948 17.251 1.00 0.00 C ATOM 53 OG SER A 6 11.878 -10.585 18.332 1.00 0.00 O ATOM 0 H SER A 6 10.196 -9.955 15.711 1.00 0.00 H new ATOM 0 HA SER A 6 12.591 -11.382 15.151 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.247 -11.870 17.491 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.474 -10.177 17.099 1.00 0.00 H new ATOM 0 HG SER A 6 11.018 -11.048 18.248 1.00 0.00 H new ATOM 59 N GLY A 7 11.034 -13.288 15.263 1.00 0.00 N ATOM 60 CA GLY A 7 10.148 -14.435 15.332 1.00 0.00 C ATOM 61 C GLY A 7 9.503 -14.751 13.998 1.00 0.00 C ATOM 62 O GLY A 7 9.354 -13.872 13.149 1.00 0.00 O ATOM 0 H GLY A 7 11.720 -13.322 14.509 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.710 -15.304 15.675 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.370 -14.245 16.072 1.00 0.00 H new ATOM 66 N ARG A 8 9.120 -16.010 13.811 1.00 0.00 N ATOM 67 CA ARG A 8 8.490 -16.440 12.568 1.00 0.00 C ATOM 68 C ARG A 8 7.074 -16.949 12.825 1.00 0.00 C ATOM 69 O ARG A 8 6.848 -18.152 12.950 1.00 0.00 O ATOM 70 CB ARG A 8 9.324 -17.536 11.902 1.00 0.00 C ATOM 71 CG ARG A 8 10.700 -17.068 11.457 1.00 0.00 C ATOM 72 CD ARG A 8 11.373 -18.094 10.559 1.00 0.00 C ATOM 73 NE ARG A 8 12.083 -19.113 11.328 1.00 0.00 N ATOM 74 CZ ARG A 8 13.287 -18.928 11.857 1.00 0.00 C ATOM 75 NH1 ARG A 8 13.912 -17.769 11.702 1.00 0.00 N ATOM 76 NH2 ARG A 8 13.868 -19.904 12.544 1.00 0.00 N ATOM 0 H ARG A 8 9.235 -16.750 14.504 1.00 0.00 H new ATOM 0 HA ARG A 8 8.434 -15.580 11.901 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.440 -18.367 12.598 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.782 -17.918 11.037 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.609 -16.121 10.925 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.324 -16.884 12.332 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.623 -18.572 9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.073 -17.589 9.893 1.00 0.00 H new ATOM 0 HE ARG A 8 11.629 -20.016 11.466 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.468 -17.017 11.175 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.837 -17.630 12.109 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.390 -20.797 12.666 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.793 -19.761 12.950 1.00 0.00 H new ATOM 90 N LYS A 9 6.124 -16.023 12.902 1.00 0.00 N ATOM 91 CA LYS A 9 4.729 -16.376 13.142 1.00 0.00 C ATOM 92 C LYS A 9 4.163 -17.181 11.977 1.00 0.00 C ATOM 93 O LYS A 9 4.741 -17.208 10.890 1.00 0.00 O ATOM 94 CB LYS A 9 3.892 -15.113 13.358 1.00 0.00 C ATOM 95 CG LYS A 9 3.931 -14.150 12.184 1.00 0.00 C ATOM 96 CD LYS A 9 2.897 -14.513 11.131 1.00 0.00 C ATOM 97 CE LYS A 9 2.448 -13.291 10.345 1.00 0.00 C ATOM 98 NZ LYS A 9 3.308 -13.051 9.153 1.00 0.00 N ATOM 0 H LYS A 9 6.294 -15.022 12.802 1.00 0.00 H new ATOM 0 HA LYS A 9 4.685 -16.992 14.041 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.858 -15.400 13.547 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.248 -14.599 14.251 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.750 -13.135 12.538 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.925 -14.159 11.737 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.316 -15.252 10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.034 -14.975 11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.414 -13.424 10.026 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.471 -12.414 10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.969 -12.210 8.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.290 -12.899 9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.266 -13.877 8.523 1.00 0.00 H new ATOM 112 N ILE A 10 3.030 -17.833 12.210 1.00 0.00 N ATOM 113 CA ILE A 10 2.385 -18.636 11.179 1.00 0.00 C ATOM 114 C ILE A 10 0.958 -18.162 10.925 1.00 0.00 C ATOM 115 O ILE A 10 0.260 -17.738 11.846 1.00 0.00 O ATOM 116 CB ILE A 10 2.357 -20.128 11.562 1.00 0.00 C ATOM 117 CG1 ILE A 10 3.780 -20.647 11.779 1.00 0.00 C ATOM 118 CG2 ILE A 10 1.651 -20.938 10.485 1.00 0.00 C ATOM 119 CD1 ILE A 10 4.326 -20.354 13.159 1.00 0.00 C ATOM 0 H ILE A 10 2.539 -17.821 13.104 1.00 0.00 H new ATOM 0 HA ILE A 10 2.974 -18.513 10.270 1.00 0.00 H new ATOM 0 HB ILE A 10 1.803 -20.239 12.494 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.795 -21.724 11.612 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.439 -20.200 11.034 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.639 -21.990 10.770 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.627 -20.581 10.374 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.180 -20.824 9.539 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.338 -20.750 13.242 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.344 -19.276 13.322 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.690 -20.824 13.909 1.00 0.00 H new ATOM 131 N LEU A 11 0.530 -18.238 9.669 1.00 0.00 N ATOM 132 CA LEU A 11 -0.815 -17.818 9.293 1.00 0.00 C ATOM 133 C LEU A 11 -1.757 -19.016 9.212 1.00 0.00 C ATOM 134 O LEU A 11 -2.781 -19.060 9.895 1.00 0.00 O ATOM 135 CB LEU A 11 -0.786 -17.087 7.950 1.00 0.00 C ATOM 136 CG LEU A 11 -2.137 -16.612 7.414 1.00 0.00 C ATOM 137 CD1 LEU A 11 -2.701 -15.507 8.294 1.00 0.00 C ATOM 138 CD2 LEU A 11 -2.002 -16.134 5.976 1.00 0.00 C ATOM 0 H LEU A 11 1.095 -18.586 8.895 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.185 -17.139 10.061 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.131 -16.221 8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.336 -17.748 7.209 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.830 -17.453 7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.663 -15.181 7.897 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.835 -15.883 9.308 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.010 -14.664 8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.973 -15.800 5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.294 -15.307 5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.642 -16.953 5.353 1.00 0.00 H new ATOM 150 N ASP A 12 -1.403 -19.985 8.376 1.00 0.00 N ATOM 151 CA ASP A 12 -2.214 -21.185 8.208 1.00 0.00 C ATOM 152 C ASP A 12 -3.692 -20.828 8.084 1.00 0.00 C ATOM 153 O ASP A 12 -4.552 -21.490 8.666 1.00 0.00 O ATOM 154 CB ASP A 12 -2.004 -22.137 9.387 1.00 0.00 C ATOM 155 CG ASP A 12 -2.452 -23.552 9.075 1.00 0.00 C ATOM 156 OD1 ASP A 12 -2.171 -24.030 7.956 1.00 0.00 O ATOM 157 OD2 ASP A 12 -3.084 -24.180 9.950 1.00 0.00 O ATOM 0 H ASP A 12 -0.559 -19.963 7.803 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.900 -21.681 7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.949 -22.145 9.660 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.555 -21.767 10.252 1.00 0.00 H new ATOM 162 N SER A 13 -3.980 -19.778 7.322 1.00 0.00 N ATOM 163 CA SER A 13 -5.354 -19.330 7.125 1.00 0.00 C ATOM 164 C SER A 13 -5.611 -18.997 5.659 1.00 0.00 C ATOM 165 O SER A 13 -4.919 -18.168 5.067 1.00 0.00 O ATOM 166 CB SER A 13 -5.644 -18.107 7.997 1.00 0.00 C ATOM 167 OG SER A 13 -5.489 -18.412 9.372 1.00 0.00 O ATOM 0 H SER A 13 -3.280 -19.221 6.831 1.00 0.00 H new ATOM 0 HA SER A 13 -6.021 -20.141 7.417 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.971 -17.294 7.724 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.659 -17.757 7.811 1.00 0.00 H new ATOM 0 HG SER A 13 -4.550 -18.622 9.557 1.00 0.00 H new ATOM 173 N LYS A 14 -6.613 -19.649 5.078 1.00 0.00 N ATOM 174 CA LYS A 14 -6.966 -19.423 3.681 1.00 0.00 C ATOM 175 C LYS A 14 -8.097 -18.407 3.563 1.00 0.00 C ATOM 176 O LYS A 14 -8.987 -18.353 4.411 1.00 0.00 O ATOM 177 CB LYS A 14 -7.377 -20.739 3.018 1.00 0.00 C ATOM 178 CG LYS A 14 -6.271 -21.780 2.996 1.00 0.00 C ATOM 179 CD LYS A 14 -5.203 -21.437 1.971 1.00 0.00 C ATOM 180 CE LYS A 14 -4.151 -22.532 1.875 1.00 0.00 C ATOM 181 NZ LYS A 14 -3.419 -22.712 3.160 1.00 0.00 N ATOM 0 H LYS A 14 -7.195 -20.339 5.553 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.089 -19.025 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.239 -21.148 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.695 -20.537 1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.818 -21.852 3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.695 -22.758 2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.667 -21.290 0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.726 -20.495 2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.628 -23.471 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.442 -22.286 1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.604 -23.341 3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.085 -21.788 3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.056 -23.133 3.866 1.00 0.00 H new ATOM 195 N ALA A 15 -8.057 -17.603 2.505 1.00 0.00 N ATOM 196 CA ALA A 15 -9.081 -16.592 2.275 1.00 0.00 C ATOM 197 C ALA A 15 -9.880 -16.897 1.013 1.00 0.00 C ATOM 198 O ALA A 15 -9.405 -17.601 0.121 1.00 0.00 O ATOM 199 CB ALA A 15 -8.447 -15.212 2.180 1.00 0.00 C ATOM 0 H ALA A 15 -7.326 -17.633 1.794 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.768 -16.607 3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.223 -14.466 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.926 -14.986 3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.737 -15.194 1.353 1.00 0.00 H new ATOM 205 N ILE A 16 -11.095 -16.364 0.944 1.00 0.00 N ATOM 206 CA ILE A 16 -11.959 -16.580 -0.210 1.00 0.00 C ATOM 207 C ILE A 16 -12.060 -15.321 -1.065 1.00 0.00 C ATOM 208 O ILE A 16 -12.883 -14.444 -0.802 1.00 0.00 O ATOM 209 CB ILE A 16 -13.375 -17.010 0.220 1.00 0.00 C ATOM 210 CG1 ILE A 16 -13.315 -18.313 1.019 1.00 0.00 C ATOM 211 CG2 ILE A 16 -14.272 -17.169 -0.998 1.00 0.00 C ATOM 212 CD1 ILE A 16 -14.504 -18.516 1.933 1.00 0.00 C ATOM 0 H ILE A 16 -11.503 -15.780 1.673 1.00 0.00 H new ATOM 0 HA ILE A 16 -11.507 -17.380 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.797 -16.234 0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -13.252 -19.152 0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.403 -18.323 1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -15.269 -17.473 -0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.335 -16.220 -1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.856 -17.929 -1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.395 -19.459 2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -14.556 -17.696 2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.419 -18.539 1.341 1.00 0.00 H new ATOM 224 N ASP A 17 -11.218 -15.240 -2.089 1.00 0.00 N ATOM 225 CA ASP A 17 -11.213 -14.090 -2.985 1.00 0.00 C ATOM 226 C ASP A 17 -11.092 -12.788 -2.199 1.00 0.00 C ATOM 227 O ASP A 17 -11.848 -11.842 -2.423 1.00 0.00 O ATOM 228 CB ASP A 17 -12.487 -14.071 -3.832 1.00 0.00 C ATOM 229 CG ASP A 17 -12.321 -14.813 -5.144 1.00 0.00 C ATOM 230 OD1 ASP A 17 -12.575 -16.036 -5.171 1.00 0.00 O ATOM 231 OD2 ASP A 17 -11.937 -14.172 -6.144 1.00 0.00 O ATOM 0 H ASP A 17 -10.530 -15.957 -2.319 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.349 -14.178 -3.643 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.303 -14.519 -3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.769 -13.038 -4.035 1.00 0.00 H new ATOM 236 N LEU A 18 -10.137 -12.748 -1.276 1.00 0.00 N ATOM 237 CA LEU A 18 -9.917 -11.562 -0.455 1.00 0.00 C ATOM 238 C LEU A 18 -8.487 -11.052 -0.607 1.00 0.00 C ATOM 239 O LEU A 18 -8.265 -9.876 -0.889 1.00 0.00 O ATOM 240 CB LEU A 18 -10.205 -11.875 1.015 1.00 0.00 C ATOM 241 CG LEU A 18 -11.590 -12.447 1.320 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.690 -12.851 2.783 1.00 0.00 C ATOM 243 CD2 LEU A 18 -12.673 -11.438 0.968 1.00 0.00 C ATOM 0 H LEU A 18 -9.503 -13.522 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.599 -10.783 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.455 -12.583 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.077 -10.960 1.593 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.738 -13.337 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.682 -13.256 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.938 -13.609 3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.521 -11.978 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.652 -11.862 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.529 -10.530 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.615 -11.198 -0.094 1.00 0.00 H new ATOM 255 N MET A 19 -7.522 -11.947 -0.420 1.00 0.00 N ATOM 256 CA MET A 19 -6.114 -11.588 -0.541 1.00 0.00 C ATOM 257 C MET A 19 -5.866 -10.780 -1.810 1.00 0.00 C ATOM 258 O MET A 19 -4.900 -10.022 -1.896 1.00 0.00 O ATOM 259 CB MET A 19 -5.243 -12.845 -0.544 1.00 0.00 C ATOM 260 CG MET A 19 -5.356 -13.659 -1.823 1.00 0.00 C ATOM 261 SD MET A 19 -6.661 -14.901 -1.743 1.00 0.00 S ATOM 262 CE MET A 19 -7.511 -14.599 -3.291 1.00 0.00 C ATOM 0 H MET A 19 -7.689 -12.925 -0.184 1.00 0.00 H new ATOM 0 HA MET A 19 -5.847 -10.973 0.318 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.202 -12.556 -0.397 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.522 -13.473 0.302 1.00 0.00 H new ATOM 0 HG2 MET A 19 -5.549 -12.988 -2.660 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.404 -14.151 -2.022 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.165 -15.441 -3.517 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.106 -13.689 -3.208 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.780 -14.483 -4.091 1.00 0.00 H new ATOM 272 N ASN A 20 -6.743 -10.947 -2.794 1.00 0.00 N ATOM 273 CA ASN A 20 -6.618 -10.234 -4.060 1.00 0.00 C ATOM 274 C ASN A 20 -6.356 -8.749 -3.824 1.00 0.00 C ATOM 275 O ASN A 20 -5.422 -8.176 -4.384 1.00 0.00 O ATOM 276 CB ASN A 20 -7.886 -10.412 -4.898 1.00 0.00 C ATOM 277 CG ASN A 20 -7.863 -11.690 -5.715 1.00 0.00 C ATOM 278 OD1 ASN A 20 -8.648 -12.607 -5.475 1.00 0.00 O ATOM 279 ND2 ASN A 20 -6.960 -11.755 -6.686 1.00 0.00 N ATOM 0 H ASN A 20 -7.549 -11.570 -2.739 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.771 -10.654 -4.602 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.755 -10.420 -4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.000 -9.558 -5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.897 -12.590 -7.269 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.329 -10.970 -6.849 1.00 0.00 H new ATOM 286 N ALA A 21 -7.188 -8.133 -2.990 1.00 0.00 N ATOM 287 CA ALA A 21 -7.045 -6.716 -2.677 1.00 0.00 C ATOM 288 C ALA A 21 -5.576 -6.308 -2.639 1.00 0.00 C ATOM 289 O ALA A 21 -5.149 -5.418 -3.377 1.00 0.00 O ATOM 290 CB ALA A 21 -7.718 -6.398 -1.350 1.00 0.00 C ATOM 0 H ALA A 21 -7.967 -8.593 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.534 -6.144 -3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.603 -5.337 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.778 -6.643 -1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.255 -6.986 -0.557 1.00 0.00 H new ATOM 296 N LEU A 22 -4.807 -6.962 -1.776 1.00 0.00 N ATOM 297 CA LEU A 22 -3.385 -6.666 -1.641 1.00 0.00 C ATOM 298 C LEU A 22 -2.709 -6.611 -3.007 1.00 0.00 C ATOM 299 O LEU A 22 -2.296 -5.545 -3.463 1.00 0.00 O ATOM 300 CB LEU A 22 -2.706 -7.720 -0.765 1.00 0.00 C ATOM 301 CG LEU A 22 -2.679 -7.429 0.736 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.016 -8.572 1.489 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.960 -6.117 1.013 1.00 0.00 C ATOM 0 H LEU A 22 -5.144 -7.701 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.285 -5.690 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.211 -8.673 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.679 -7.843 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.707 -7.337 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.006 -8.348 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.574 -9.493 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.993 -8.696 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.951 -5.927 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.935 -6.179 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.478 -5.304 0.505 1.00 0.00 H new ATOM 315 N MET A 23 -2.600 -7.766 -3.655 1.00 0.00 N ATOM 316 CA MET A 23 -1.977 -7.848 -4.971 1.00 0.00 C ATOM 317 C MET A 23 -2.388 -6.665 -5.842 1.00 0.00 C ATOM 318 O MET A 23 -1.540 -5.974 -6.407 1.00 0.00 O ATOM 319 CB MET A 23 -2.358 -9.160 -5.658 1.00 0.00 C ATOM 320 CG MET A 23 -1.417 -10.310 -5.338 1.00 0.00 C ATOM 321 SD MET A 23 -1.315 -10.652 -3.571 1.00 0.00 S ATOM 322 CE MET A 23 -2.457 -12.024 -3.425 1.00 0.00 C ATOM 0 H MET A 23 -2.935 -8.658 -3.290 1.00 0.00 H new ATOM 0 HA MET A 23 -0.896 -7.818 -4.836 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.370 -9.436 -5.360 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.374 -9.004 -6.737 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.754 -11.206 -5.859 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.422 -10.077 -5.717 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.504 -12.350 -2.386 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.448 -11.709 -3.751 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.115 -12.850 -4.049 1.00 0.00 H new ATOM 332 N ARG A 24 -3.693 -6.438 -5.946 1.00 0.00 N ATOM 333 CA ARG A 24 -4.216 -5.340 -6.750 1.00 0.00 C ATOM 334 C ARG A 24 -3.470 -4.044 -6.450 1.00 0.00 C ATOM 335 O ARG A 24 -2.847 -3.455 -7.335 1.00 0.00 O ATOM 336 CB ARG A 24 -5.711 -5.153 -6.485 1.00 0.00 C ATOM 337 CG ARG A 24 -6.599 -6.007 -7.375 1.00 0.00 C ATOM 338 CD ARG A 24 -6.687 -7.437 -6.866 1.00 0.00 C ATOM 339 NE ARG A 24 -7.220 -8.346 -7.877 1.00 0.00 N ATOM 340 CZ ARG A 24 -6.484 -8.887 -8.841 1.00 0.00 C ATOM 341 NH1 ARG A 24 -5.189 -8.613 -8.924 1.00 0.00 N ATOM 342 NH2 ARG A 24 -7.041 -9.705 -9.725 1.00 0.00 N ATOM 0 H ARG A 24 -4.408 -7.000 -5.484 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.068 -5.590 -7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.919 -5.392 -5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.968 -4.104 -6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.598 -5.573 -7.418 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.206 -6.005 -8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.697 -7.775 -6.561 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.321 -7.468 -5.980 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.213 -8.578 -7.841 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.756 -7.985 -8.246 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.626 -9.030 -9.665 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.036 -9.919 -9.665 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.474 -10.119 -10.465 1.00 0.00 H new ATOM 356 N LEU A 25 -3.536 -3.604 -5.199 1.00 0.00 N ATOM 357 CA LEU A 25 -2.867 -2.377 -4.782 1.00 0.00 C ATOM 358 C LEU A 25 -1.460 -2.298 -5.366 1.00 0.00 C ATOM 359 O LEU A 25 -1.002 -1.229 -5.764 1.00 0.00 O ATOM 360 CB LEU A 25 -2.802 -2.301 -3.255 1.00 0.00 C ATOM 361 CG LEU A 25 -2.811 -0.896 -2.652 1.00 0.00 C ATOM 362 CD1 LEU A 25 -4.170 -0.242 -2.842 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.443 -0.947 -1.177 1.00 0.00 C ATOM 0 H LEU A 25 -4.047 -4.079 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.445 -1.532 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.648 -2.855 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.897 -2.811 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.066 -0.294 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.157 0.757 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.394 -0.171 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.935 -0.843 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.454 0.062 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.164 -1.566 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.446 -1.374 -1.065 1.00 0.00 H new ATOM 375 N ASN A 26 -0.781 -3.440 -5.416 1.00 0.00 N ATOM 376 CA ASN A 26 0.573 -3.501 -5.954 1.00 0.00 C ATOM 377 C ASN A 26 0.560 -3.386 -7.475 1.00 0.00 C ATOM 378 O ASN A 26 1.358 -2.654 -8.059 1.00 0.00 O ATOM 379 CB ASN A 26 1.252 -4.806 -5.535 1.00 0.00 C ATOM 380 CG ASN A 26 1.433 -4.908 -4.033 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.405 -4.398 -3.477 1.00 0.00 O ATOM 382 ND2 ASN A 26 0.493 -5.571 -3.368 1.00 0.00 N ATOM 0 H ASN A 26 -1.146 -4.335 -5.091 1.00 0.00 H new ATOM 0 HA ASN A 26 1.136 -2.660 -5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.657 -5.650 -5.885 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.225 -4.878 -6.021 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.561 -5.673 -2.355 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.296 -5.978 -3.870 1.00 0.00 H new ATOM 389 N GLN A 27 -0.352 -4.115 -8.110 1.00 0.00 N ATOM 390 CA GLN A 27 -0.469 -4.096 -9.564 1.00 0.00 C ATOM 391 C GLN A 27 -0.519 -2.664 -10.086 1.00 0.00 C ATOM 392 O GLN A 27 0.126 -2.333 -11.081 1.00 0.00 O ATOM 393 CB GLN A 27 -1.720 -4.857 -10.006 1.00 0.00 C ATOM 394 CG GLN A 27 -1.593 -6.366 -9.873 1.00 0.00 C ATOM 395 CD GLN A 27 -2.801 -7.103 -10.415 1.00 0.00 C ATOM 396 OE1 GLN A 27 -3.937 -6.653 -10.264 1.00 0.00 O ATOM 397 NE2 GLN A 27 -2.563 -8.244 -11.051 1.00 0.00 N ATOM 0 H GLN A 27 -1.021 -4.726 -7.641 1.00 0.00 H new ATOM 0 HA GLN A 27 0.411 -4.585 -9.981 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.570 -4.519 -9.413 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.938 -4.609 -11.045 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.701 -6.700 -10.403 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.456 -6.624 -8.823 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.606 -8.581 -11.154 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.338 -8.784 -11.437 1.00 0.00 H new ATOM 406 N ILE A 28 -1.289 -1.819 -9.409 1.00 0.00 N ATOM 407 CA ILE A 28 -1.422 -0.422 -9.805 1.00 0.00 C ATOM 408 C ILE A 28 -0.215 0.394 -9.356 1.00 0.00 C ATOM 409 O ILE A 28 0.314 1.208 -10.114 1.00 0.00 O ATOM 410 CB ILE A 28 -2.700 0.209 -9.222 1.00 0.00 C ATOM 411 CG1 ILE A 28 -2.713 0.072 -7.698 1.00 0.00 C ATOM 412 CG2 ILE A 28 -3.936 -0.440 -9.828 1.00 0.00 C ATOM 413 CD1 ILE A 28 -3.932 0.686 -7.046 1.00 0.00 C ATOM 0 H ILE A 28 -1.830 -2.077 -8.584 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.483 -0.407 -10.893 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.711 1.270 -9.473 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.665 -0.985 -7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.818 0.543 -7.291 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.831 0.017 -9.406 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.930 -0.296 -10.908 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.933 -1.507 -9.605 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.874 0.551 -5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.971 1.750 -7.277 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.831 0.199 -7.424 1.00 0.00 H new ATOM 425 N ARG A 29 0.217 0.170 -8.119 1.00 0.00 N ATOM 426 CA ARG A 29 1.363 0.884 -7.569 1.00 0.00 C ATOM 427 C ARG A 29 2.344 -0.084 -6.915 1.00 0.00 C ATOM 428 O ARG A 29 2.262 -0.379 -5.723 1.00 0.00 O ATOM 429 CB ARG A 29 0.900 1.925 -6.548 1.00 0.00 C ATOM 430 CG ARG A 29 -0.151 2.882 -7.088 1.00 0.00 C ATOM 431 CD ARG A 29 -0.782 3.702 -5.974 1.00 0.00 C ATOM 432 NE ARG A 29 -0.059 4.949 -5.735 1.00 0.00 N ATOM 433 CZ ARG A 29 1.024 5.035 -4.971 1.00 0.00 C ATOM 434 NH1 ARG A 29 1.507 3.954 -4.375 1.00 0.00 N ATOM 435 NH2 ARG A 29 1.627 6.205 -4.801 1.00 0.00 N ATOM 0 H ARG A 29 -0.209 -0.500 -7.479 1.00 0.00 H new ATOM 0 HA ARG A 29 1.872 1.390 -8.389 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.497 1.411 -5.675 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.763 2.499 -6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.305 3.550 -7.819 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.925 2.318 -7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.817 3.927 -6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.802 3.113 -5.057 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.405 5.800 -6.179 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.047 3.053 -4.502 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.339 4.023 -3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.259 7.040 -5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.459 6.270 -4.214 1.00 0.00 H new ATOM 449 N PRO A 30 3.295 -0.592 -7.713 1.00 0.00 N ATOM 450 CA PRO A 30 4.311 -1.534 -7.233 1.00 0.00 C ATOM 451 C PRO A 30 5.314 -0.876 -6.292 1.00 0.00 C ATOM 452 O PRO A 30 5.620 0.308 -6.424 1.00 0.00 O ATOM 453 CB PRO A 30 5.005 -1.992 -8.518 1.00 0.00 C ATOM 454 CG PRO A 30 4.795 -0.875 -9.481 1.00 0.00 C ATOM 455 CD PRO A 30 3.454 -0.284 -9.144 1.00 0.00 C ATOM 0 HA PRO A 30 3.872 -2.348 -6.656 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.066 -2.176 -8.351 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.575 -2.922 -8.890 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.584 -0.129 -9.391 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.815 -1.237 -10.509 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.430 0.790 -9.329 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.658 -0.728 -9.741 1.00 0.00 H new ATOM 463 N GLY A 31 5.823 -1.652 -5.340 1.00 0.00 N ATOM 464 CA GLY A 31 6.786 -1.127 -4.390 1.00 0.00 C ATOM 465 C GLY A 31 6.138 -0.271 -3.321 1.00 0.00 C ATOM 466 O GLY A 31 6.512 0.888 -3.131 1.00 0.00 O ATOM 0 H GLY A 31 5.585 -2.635 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.314 -1.955 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.531 -0.536 -4.922 1.00 0.00 H new ATOM 470 N LEU A 32 5.163 -0.839 -2.620 1.00 0.00 N ATOM 471 CA LEU A 32 4.460 -0.120 -1.564 1.00 0.00 C ATOM 472 C LEU A 32 4.997 -0.508 -0.190 1.00 0.00 C ATOM 473 O LEU A 32 5.516 -1.608 -0.005 1.00 0.00 O ATOM 474 CB LEU A 32 2.959 -0.405 -1.637 1.00 0.00 C ATOM 475 CG LEU A 32 2.229 0.152 -2.860 1.00 0.00 C ATOM 476 CD1 LEU A 32 1.054 -0.739 -3.232 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.759 1.575 -2.597 1.00 0.00 C ATOM 0 H LEU A 32 4.841 -1.796 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 32 4.628 0.947 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.813 -1.485 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.488 0.001 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 32 2.925 0.169 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.547 -0.327 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.416 -1.741 -3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.356 -0.789 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.242 1.956 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.079 1.582 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.619 2.208 -2.380 1.00 0.00 H new ATOM 489 N GLN A 33 4.865 0.402 0.770 1.00 0.00 N ATOM 490 CA GLN A 33 5.336 0.154 2.127 1.00 0.00 C ATOM 491 C GLN A 33 4.200 0.307 3.134 1.00 0.00 C ATOM 492 O GLN A 33 3.511 1.327 3.156 1.00 0.00 O ATOM 493 CB GLN A 33 6.476 1.111 2.478 1.00 0.00 C ATOM 494 CG GLN A 33 6.024 2.548 2.682 1.00 0.00 C ATOM 495 CD GLN A 33 7.185 3.504 2.868 1.00 0.00 C ATOM 496 OE1 GLN A 33 7.455 3.963 3.979 1.00 0.00 O ATOM 497 NE2 GLN A 33 7.880 3.811 1.779 1.00 0.00 N ATOM 0 H GLN A 33 4.436 1.317 0.633 1.00 0.00 H new ATOM 0 HA GLN A 33 5.704 -0.871 2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.966 0.761 3.386 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.221 1.083 1.683 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.432 2.864 1.823 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.373 2.600 3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.622 3.408 0.878 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.672 4.450 1.843 1.00 0.00 H new ATOM 506 N TYR A 34 4.010 -0.712 3.964 1.00 0.00 N ATOM 507 CA TYR A 34 2.956 -0.691 4.971 1.00 0.00 C ATOM 508 C TYR A 34 3.546 -0.601 6.375 1.00 0.00 C ATOM 509 O TYR A 34 4.439 -1.367 6.738 1.00 0.00 O ATOM 510 CB TYR A 34 2.084 -1.942 4.852 1.00 0.00 C ATOM 511 CG TYR A 34 1.523 -2.160 3.465 1.00 0.00 C ATOM 512 CD1 TYR A 34 2.306 -2.706 2.456 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.211 -1.817 3.163 1.00 0.00 C ATOM 514 CE1 TYR A 34 1.799 -2.906 1.187 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.306 -2.015 1.897 1.00 0.00 C ATOM 516 CZ TYR A 34 0.492 -2.560 0.912 1.00 0.00 C ATOM 517 OH TYR A 34 -0.018 -2.757 -0.350 1.00 0.00 O ATOM 0 H TYR A 34 4.572 -1.563 3.959 1.00 0.00 H new ATOM 0 HA TYR A 34 2.340 0.192 4.798 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.673 -2.814 5.138 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.259 -1.868 5.561 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.329 -2.979 2.668 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.416 -1.388 3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.422 -3.331 0.414 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.329 -1.745 1.680 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.915 -3.146 -0.283 1.00 0.00 H new ATOM 527 N LYS A 35 3.039 0.342 7.163 1.00 0.00 N ATOM 528 CA LYS A 35 3.512 0.534 8.529 1.00 0.00 C ATOM 529 C LYS A 35 2.389 0.293 9.532 1.00 0.00 C ATOM 530 O LYS A 35 1.209 0.379 9.191 1.00 0.00 O ATOM 531 CB LYS A 35 4.071 1.948 8.702 1.00 0.00 C ATOM 532 CG LYS A 35 5.134 2.312 7.679 1.00 0.00 C ATOM 533 CD LYS A 35 6.439 1.583 7.948 1.00 0.00 C ATOM 534 CE LYS A 35 7.314 2.349 8.929 1.00 0.00 C ATOM 535 NZ LYS A 35 8.520 1.570 9.323 1.00 0.00 N ATOM 0 H LYS A 35 2.300 0.985 6.879 1.00 0.00 H new ATOM 0 HA LYS A 35 4.305 -0.189 8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.252 2.664 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.494 2.043 9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.778 2.065 6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.306 3.388 7.699 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.227 0.591 8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.978 1.442 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.622 3.293 8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.734 2.594 9.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.090 2.127 9.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.226 0.681 9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.088 1.358 8.478 1.00 0.00 H new ATOM 549 N LEU A 36 2.764 -0.006 10.771 1.00 0.00 N ATOM 550 CA LEU A 36 1.787 -0.258 11.826 1.00 0.00 C ATOM 551 C LEU A 36 1.668 0.945 12.756 1.00 0.00 C ATOM 552 O LEU A 36 2.476 1.119 13.670 1.00 0.00 O ATOM 553 CB LEU A 36 2.182 -1.500 12.627 1.00 0.00 C ATOM 554 CG LEU A 36 1.054 -2.187 13.398 1.00 0.00 C ATOM 555 CD1 LEU A 36 0.145 -2.950 12.447 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.623 -3.120 14.457 1.00 0.00 C ATOM 0 H LEU A 36 3.736 -0.080 11.070 1.00 0.00 H new ATOM 0 HA LEU A 36 0.818 -0.429 11.357 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.621 -2.225 11.942 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.961 -1.218 13.336 1.00 0.00 H new ATOM 0 HG LEU A 36 0.462 -1.420 13.898 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.652 -3.432 13.014 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.290 -2.258 11.726 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.724 -3.707 11.919 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.806 -3.600 14.996 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.239 -3.881 13.978 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.232 -2.548 15.157 1.00 0.00 H new ATOM 568 N LEU A 37 0.656 1.771 12.519 1.00 0.00 N ATOM 569 CA LEU A 37 0.429 2.958 13.338 1.00 0.00 C ATOM 570 C LEU A 37 0.644 2.649 14.816 1.00 0.00 C ATOM 571 O LEU A 37 1.463 3.283 15.480 1.00 0.00 O ATOM 572 CB LEU A 37 -0.988 3.490 13.117 1.00 0.00 C ATOM 573 CG LEU A 37 -1.268 4.105 11.745 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.738 4.469 11.613 1.00 0.00 C ATOM 575 CD2 LEU A 37 -0.391 5.329 11.520 1.00 0.00 C ATOM 0 H LEU A 37 -0.021 1.642 11.767 1.00 0.00 H new ATOM 0 HA LEU A 37 1.148 3.720 13.037 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.691 2.672 13.276 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.195 4.241 13.879 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.028 3.365 10.981 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.918 4.905 10.630 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.347 3.572 11.729 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.005 5.191 12.385 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.604 5.754 10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.599 6.072 12.290 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.658 5.039 11.570 1.00 0.00 H new ATOM 587 N SER A 38 -0.097 1.669 15.324 1.00 0.00 N ATOM 588 CA SER A 38 0.011 1.276 16.724 1.00 0.00 C ATOM 589 C SER A 38 -0.749 -0.021 16.985 1.00 0.00 C ATOM 590 O SER A 38 -1.656 -0.382 16.235 1.00 0.00 O ATOM 591 CB SER A 38 -0.525 2.386 17.630 1.00 0.00 C ATOM 592 OG SER A 38 -0.694 1.924 18.958 1.00 0.00 O ATOM 0 H SER A 38 -0.778 1.133 14.787 1.00 0.00 H new ATOM 0 HA SER A 38 1.065 1.110 16.949 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.163 3.231 17.621 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.478 2.747 17.243 1.00 0.00 H new ATOM 0 HG SER A 38 -1.036 2.653 19.517 1.00 0.00 H new ATOM 598 N GLN A 39 -0.372 -0.716 18.053 1.00 0.00 N ATOM 599 CA GLN A 39 -1.017 -1.973 18.413 1.00 0.00 C ATOM 600 C GLN A 39 -1.663 -1.878 19.791 1.00 0.00 C ATOM 601 O GLN A 39 -0.997 -1.573 20.780 1.00 0.00 O ATOM 602 CB GLN A 39 -0.001 -3.116 18.391 1.00 0.00 C ATOM 603 CG GLN A 39 -0.634 -4.494 18.499 1.00 0.00 C ATOM 604 CD GLN A 39 0.375 -5.576 18.829 1.00 0.00 C ATOM 605 OE1 GLN A 39 1.507 -5.555 18.343 1.00 0.00 O ATOM 606 NE2 GLN A 39 -0.029 -6.530 19.659 1.00 0.00 N ATOM 0 H GLN A 39 0.377 -0.430 18.684 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.797 -2.175 17.679 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.575 -3.061 17.467 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.702 -2.982 19.213 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.406 -4.476 19.268 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.127 -4.738 17.558 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.976 -6.509 20.038 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.607 -7.284 19.917 1.00 0.00 H new ATOM 615 N SER A 40 -2.965 -2.140 19.848 1.00 0.00 N ATOM 616 CA SER A 40 -3.703 -2.080 21.104 1.00 0.00 C ATOM 617 C SER A 40 -4.613 -3.295 21.259 1.00 0.00 C ATOM 618 O SER A 40 -5.071 -3.871 20.273 1.00 0.00 O ATOM 619 CB SER A 40 -4.532 -0.796 21.172 1.00 0.00 C ATOM 620 OG SER A 40 -3.764 0.281 21.678 1.00 0.00 O ATOM 0 H SER A 40 -3.531 -2.396 19.039 1.00 0.00 H new ATOM 0 HA SER A 40 -2.981 -2.082 21.921 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.903 -0.546 20.178 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.403 -0.955 21.807 1.00 0.00 H new ATOM 0 HG SER A 40 -4.316 1.090 21.710 1.00 0.00 H new ATOM 626 N GLY A 41 -4.869 -3.680 22.505 1.00 0.00 N ATOM 627 CA GLY A 41 -5.723 -4.824 22.768 1.00 0.00 C ATOM 628 C GLY A 41 -4.988 -5.945 23.476 1.00 0.00 C ATOM 629 O GLY A 41 -3.832 -5.803 23.876 1.00 0.00 O ATOM 0 H GLY A 41 -4.500 -3.220 23.338 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.571 -4.509 23.376 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.127 -5.196 21.827 1.00 0.00 H new ATOM 633 N PRO A 42 -5.666 -7.090 23.642 1.00 0.00 N ATOM 634 CA PRO A 42 -5.090 -8.261 24.309 1.00 0.00 C ATOM 635 C PRO A 42 -3.991 -8.918 23.481 1.00 0.00 C ATOM 636 O PRO A 42 -3.601 -8.406 22.431 1.00 0.00 O ATOM 637 CB PRO A 42 -6.284 -9.207 24.459 1.00 0.00 C ATOM 638 CG PRO A 42 -7.218 -8.813 23.367 1.00 0.00 C ATOM 639 CD PRO A 42 -7.047 -7.330 23.191 1.00 0.00 C ATOM 0 HA PRO A 42 -4.615 -7.999 25.254 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.978 -10.249 24.362 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.752 -9.102 25.438 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.986 -9.345 22.444 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.248 -9.059 23.626 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.189 -7.030 22.153 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.767 -6.769 23.786 1.00 0.00 H new ATOM 647 N VAL A 43 -3.494 -10.054 23.959 1.00 0.00 N ATOM 648 CA VAL A 43 -2.440 -10.782 23.262 1.00 0.00 C ATOM 649 C VAL A 43 -3.026 -11.778 22.268 1.00 0.00 C ATOM 650 O VAL A 43 -2.373 -12.159 21.296 1.00 0.00 O ATOM 651 CB VAL A 43 -1.529 -11.534 24.250 1.00 0.00 C ATOM 652 CG1 VAL A 43 -2.322 -12.583 25.015 1.00 0.00 C ATOM 653 CG2 VAL A 43 -0.358 -12.170 23.516 1.00 0.00 C ATOM 0 H VAL A 43 -3.805 -10.491 24.827 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.847 -10.043 22.724 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.132 -10.817 24.969 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.662 -13.104 25.708 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.124 -12.098 25.572 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.750 -13.299 24.313 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.275 -12.697 24.229 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.733 -12.875 22.774 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.224 -11.394 23.018 1.00 0.00 H new ATOM 663 N HIS A 44 -4.262 -12.198 22.518 1.00 0.00 N ATOM 664 CA HIS A 44 -4.938 -13.151 21.644 1.00 0.00 C ATOM 665 C HIS A 44 -5.794 -12.426 20.609 1.00 0.00 C ATOM 666 O HIS A 44 -6.064 -12.956 19.532 1.00 0.00 O ATOM 667 CB HIS A 44 -5.807 -14.102 22.466 1.00 0.00 C ATOM 668 CG HIS A 44 -7.111 -13.504 22.894 1.00 0.00 C ATOM 669 ND1 HIS A 44 -7.273 -12.826 24.084 1.00 0.00 N ATOM 670 CD2 HIS A 44 -8.319 -13.482 22.283 1.00 0.00 C ATOM 671 CE1 HIS A 44 -8.525 -12.415 24.187 1.00 0.00 C ATOM 672 NE2 HIS A 44 -9.180 -12.800 23.107 1.00 0.00 N ATOM 0 H HIS A 44 -4.816 -11.894 23.318 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.177 -13.729 21.120 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.004 -15.000 21.880 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.252 -14.414 23.351 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.560 -13.920 21.326 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.941 -11.859 25.014 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.166 -12.620 22.916 1.00 0.00 H new ATOM 681 N ALA A 45 -6.219 -11.213 20.945 1.00 0.00 N ATOM 682 CA ALA A 45 -7.043 -10.416 20.045 1.00 0.00 C ATOM 683 C ALA A 45 -6.452 -9.024 19.847 1.00 0.00 C ATOM 684 O ALA A 45 -7.122 -8.007 20.024 1.00 0.00 O ATOM 685 CB ALA A 45 -8.464 -10.316 20.580 1.00 0.00 C ATOM 0 H ALA A 45 -6.006 -10.761 21.834 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.065 -10.914 19.076 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.068 -9.718 19.898 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.892 -11.315 20.664 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.451 -9.843 21.562 1.00 0.00 H new ATOM 691 N PRO A 46 -5.165 -8.975 19.470 1.00 0.00 N ATOM 692 CA PRO A 46 -4.455 -7.714 19.240 1.00 0.00 C ATOM 693 C PRO A 46 -4.949 -6.990 17.992 1.00 0.00 C ATOM 694 O PRO A 46 -5.277 -7.620 16.986 1.00 0.00 O ATOM 695 CB PRO A 46 -3.000 -8.153 19.062 1.00 0.00 C ATOM 696 CG PRO A 46 -3.085 -9.562 18.585 1.00 0.00 C ATOM 697 CD PRO A 46 -4.305 -10.148 19.241 1.00 0.00 C ATOM 0 HA PRO A 46 -4.605 -7.008 20.057 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.481 -7.521 18.341 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.448 -8.085 20.000 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.169 -9.602 17.499 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.189 -10.121 18.857 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.791 -10.884 18.601 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.056 -10.652 20.175 1.00 0.00 H new ATOM 705 N VAL A 47 -5.000 -5.664 18.063 1.00 0.00 N ATOM 706 CA VAL A 47 -5.452 -4.855 16.938 1.00 0.00 C ATOM 707 C VAL A 47 -4.274 -4.216 16.211 1.00 0.00 C ATOM 708 O VAL A 47 -3.660 -3.273 16.711 1.00 0.00 O ATOM 709 CB VAL A 47 -6.420 -3.747 17.396 1.00 0.00 C ATOM 710 CG1 VAL A 47 -6.966 -2.985 16.199 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.551 -4.338 18.224 1.00 0.00 C ATOM 0 H VAL A 47 -4.734 -5.127 18.888 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.975 -5.526 16.257 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.870 -3.044 18.022 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.648 -2.207 16.543 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.141 -2.529 15.651 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.501 -3.672 15.543 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.225 -3.542 18.539 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.101 -5.063 17.624 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.138 -4.833 19.103 1.00 0.00 H new ATOM 721 N PHE A 48 -3.963 -4.735 15.028 1.00 0.00 N ATOM 722 CA PHE A 48 -2.858 -4.216 14.232 1.00 0.00 C ATOM 723 C PHE A 48 -3.332 -3.102 13.303 1.00 0.00 C ATOM 724 O PHE A 48 -4.012 -3.355 12.307 1.00 0.00 O ATOM 725 CB PHE A 48 -2.219 -5.340 13.413 1.00 0.00 C ATOM 726 CG PHE A 48 -1.385 -6.281 14.235 1.00 0.00 C ATOM 727 CD1 PHE A 48 -0.036 -6.036 14.437 1.00 0.00 C ATOM 728 CD2 PHE A 48 -1.950 -7.410 14.806 1.00 0.00 C ATOM 729 CE1 PHE A 48 0.734 -6.899 15.193 1.00 0.00 C ATOM 730 CE2 PHE A 48 -1.185 -8.277 15.564 1.00 0.00 C ATOM 731 CZ PHE A 48 0.159 -8.022 15.756 1.00 0.00 C ATOM 0 H PHE A 48 -4.461 -5.515 14.599 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.114 -3.804 14.914 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.005 -5.906 12.913 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.596 -4.902 12.633 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.419 -5.160 13.998 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.000 -7.615 14.657 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.784 -6.696 15.344 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.638 -9.153 16.005 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.759 -8.699 16.345 1.00 0.00 H new ATOM 741 N THR A 49 -2.970 -1.867 13.637 1.00 0.00 N ATOM 742 CA THR A 49 -3.360 -0.714 12.835 1.00 0.00 C ATOM 743 C THR A 49 -2.338 -0.436 11.739 1.00 0.00 C ATOM 744 O THR A 49 -1.239 0.048 12.011 1.00 0.00 O ATOM 745 CB THR A 49 -3.518 0.547 13.706 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.245 0.231 14.898 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.242 1.645 12.941 1.00 0.00 C ATOM 0 H THR A 49 -2.408 -1.640 14.457 1.00 0.00 H new ATOM 0 HA THR A 49 -4.320 -0.955 12.379 1.00 0.00 H new ATOM 0 HB THR A 49 -2.524 0.905 13.972 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.617 -0.022 15.607 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.342 2.525 13.576 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.672 1.904 12.049 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.232 1.293 12.650 1.00 0.00 H new ATOM 755 N MET A 50 -2.707 -0.744 10.500 1.00 0.00 N ATOM 756 CA MET A 50 -1.821 -0.525 9.363 1.00 0.00 C ATOM 757 C MET A 50 -2.132 0.803 8.680 1.00 0.00 C ATOM 758 O MET A 50 -3.127 1.456 8.995 1.00 0.00 O ATOM 759 CB MET A 50 -1.953 -1.671 8.358 1.00 0.00 C ATOM 760 CG MET A 50 -0.993 -2.821 8.619 1.00 0.00 C ATOM 761 SD MET A 50 0.709 -2.418 8.181 1.00 0.00 S ATOM 762 CE MET A 50 1.606 -3.585 9.201 1.00 0.00 C ATOM 0 H MET A 50 -3.613 -1.146 10.258 1.00 0.00 H new ATOM 0 HA MET A 50 -0.796 -0.492 9.734 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.975 -2.049 8.382 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.780 -1.285 7.354 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.038 -3.094 9.673 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.314 -3.693 8.050 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.179 -3.044 9.954 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.901 -4.255 9.693 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.284 -4.167 8.577 1.00 0.00 H new ATOM 772 N SER A 51 -1.274 1.198 7.745 1.00 0.00 N ATOM 773 CA SER A 51 -1.455 2.450 7.021 1.00 0.00 C ATOM 774 C SER A 51 -0.589 2.482 5.765 1.00 0.00 C ATOM 775 O SER A 51 0.495 1.901 5.729 1.00 0.00 O ATOM 776 CB SER A 51 -1.111 3.639 7.921 1.00 0.00 C ATOM 777 OG SER A 51 0.272 3.661 8.231 1.00 0.00 O ATOM 0 H SER A 51 -0.446 0.669 7.471 1.00 0.00 H new ATOM 0 HA SER A 51 -2.501 2.520 6.722 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.390 4.568 7.424 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.692 3.583 8.841 1.00 0.00 H new ATOM 0 HG SER A 51 0.466 4.431 8.805 1.00 0.00 H new ATOM 783 N VAL A 52 -1.077 3.166 4.735 1.00 0.00 N ATOM 784 CA VAL A 52 -0.349 3.276 3.476 1.00 0.00 C ATOM 785 C VAL A 52 -0.632 4.608 2.792 1.00 0.00 C ATOM 786 O VAL A 52 -1.730 5.154 2.903 1.00 0.00 O ATOM 787 CB VAL A 52 -0.714 2.129 2.515 1.00 0.00 C ATOM 788 CG1 VAL A 52 -2.079 2.372 1.888 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.354 1.973 1.443 1.00 0.00 C ATOM 0 H VAL A 52 -1.973 3.652 4.748 1.00 0.00 H new ATOM 0 HA VAL A 52 0.712 3.214 3.717 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.763 1.201 3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.320 1.552 1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.834 2.430 2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.062 3.308 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.080 1.158 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.436 2.899 0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.312 1.750 1.913 1.00 0.00 H new ATOM 799 N ASP A 53 0.365 5.126 2.083 1.00 0.00 N ATOM 800 CA ASP A 53 0.223 6.395 1.378 1.00 0.00 C ATOM 801 C ASP A 53 0.018 6.167 -0.116 1.00 0.00 C ATOM 802 O ASP A 53 0.898 5.646 -0.802 1.00 0.00 O ATOM 803 CB ASP A 53 1.456 7.271 1.608 1.00 0.00 C ATOM 804 CG ASP A 53 1.665 8.279 0.495 1.00 0.00 C ATOM 805 OD1 ASP A 53 0.672 8.648 -0.166 1.00 0.00 O ATOM 806 OD2 ASP A 53 2.822 8.700 0.287 1.00 0.00 O ATOM 0 H ASP A 53 1.280 4.687 1.981 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.655 6.905 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.352 7.798 2.557 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.339 6.637 1.690 1.00 0.00 H new ATOM 811 N VAL A 54 -1.150 6.559 -0.615 1.00 0.00 N ATOM 812 CA VAL A 54 -1.471 6.397 -2.027 1.00 0.00 C ATOM 813 C VAL A 54 -2.209 7.617 -2.567 1.00 0.00 C ATOM 814 O VAL A 54 -3.157 8.105 -1.950 1.00 0.00 O ATOM 815 CB VAL A 54 -2.333 5.143 -2.267 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.634 4.976 -3.749 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.639 3.907 -1.713 1.00 0.00 C ATOM 0 H VAL A 54 -1.890 6.991 -0.061 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.524 6.285 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.280 5.268 -1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.244 4.085 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.175 5.850 -4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.700 4.873 -4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.261 3.030 -1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.677 3.776 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.481 4.028 -0.641 1.00 0.00 H new ATOM 827 N ASP A 55 -1.769 8.106 -3.721 1.00 0.00 N ATOM 828 CA ASP A 55 -2.388 9.269 -4.345 1.00 0.00 C ATOM 829 C ASP A 55 -2.526 10.413 -3.345 1.00 0.00 C ATOM 830 O ASP A 55 -3.580 11.040 -3.244 1.00 0.00 O ATOM 831 CB ASP A 55 -3.761 8.901 -4.909 1.00 0.00 C ATOM 832 CG ASP A 55 -4.154 9.769 -6.089 1.00 0.00 C ATOM 833 OD1 ASP A 55 -3.741 10.947 -6.121 1.00 0.00 O ATOM 834 OD2 ASP A 55 -4.875 9.271 -6.979 1.00 0.00 O ATOM 0 H ASP A 55 -0.985 7.715 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.745 9.598 -5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.756 7.855 -5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.511 8.999 -4.124 1.00 0.00 H new ATOM 839 N GLY A 56 -1.453 10.680 -2.607 1.00 0.00 N ATOM 840 CA GLY A 56 -1.475 11.747 -1.624 1.00 0.00 C ATOM 841 C GLY A 56 -2.559 11.553 -0.581 1.00 0.00 C ATOM 842 O GLY A 56 -2.945 12.497 0.108 1.00 0.00 O ATOM 0 H GLY A 56 -0.569 10.176 -2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.505 11.801 -1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.629 12.700 -2.130 1.00 0.00 H new ATOM 846 N THR A 57 -3.053 10.324 -0.465 1.00 0.00 N ATOM 847 CA THR A 57 -4.100 10.009 0.498 1.00 0.00 C ATOM 848 C THR A 57 -3.686 8.853 1.402 1.00 0.00 C ATOM 849 O THR A 57 -3.519 7.722 0.944 1.00 0.00 O ATOM 850 CB THR A 57 -5.421 9.647 -0.206 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.543 10.385 -1.428 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.612 9.944 0.692 1.00 0.00 C ATOM 0 H THR A 57 -2.744 9.531 -1.027 1.00 0.00 H new ATOM 0 HA THR A 57 -4.252 10.903 1.102 1.00 0.00 H new ATOM 0 HB THR A 57 -5.409 8.579 -0.426 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.843 10.102 -2.052 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.534 9.680 0.173 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.531 9.359 1.608 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.626 11.006 0.939 1.00 0.00 H new ATOM 860 N THR A 58 -3.523 9.144 2.689 1.00 0.00 N ATOM 861 CA THR A 58 -3.128 8.129 3.657 1.00 0.00 C ATOM 862 C THR A 58 -4.335 7.336 4.146 1.00 0.00 C ATOM 863 O THR A 58 -5.334 7.911 4.579 1.00 0.00 O ATOM 864 CB THR A 58 -2.415 8.756 4.870 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.248 9.466 4.439 1.00 0.00 O ATOM 866 CG2 THR A 58 -2.021 7.688 5.878 1.00 0.00 C ATOM 0 H THR A 58 -3.659 10.074 3.085 1.00 0.00 H new ATOM 0 HA THR A 58 -2.438 7.458 3.146 1.00 0.00 H new ATOM 0 HB THR A 58 -3.105 9.449 5.351 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.801 9.863 5.216 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.519 8.155 6.725 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.914 7.169 6.226 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.347 6.973 5.406 1.00 0.00 H new ATOM 874 N TYR A 59 -4.236 6.013 4.075 1.00 0.00 N ATOM 875 CA TYR A 59 -5.321 5.141 4.509 1.00 0.00 C ATOM 876 C TYR A 59 -4.967 4.441 5.817 1.00 0.00 C ATOM 877 O TYR A 59 -3.795 4.204 6.109 1.00 0.00 O ATOM 878 CB TYR A 59 -5.632 4.103 3.429 1.00 0.00 C ATOM 879 CG TYR A 59 -6.084 4.709 2.119 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.170 5.282 1.244 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.425 4.707 1.757 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.578 5.837 0.047 1.00 0.00 C ATOM 883 CE2 TYR A 59 -7.843 5.258 0.561 1.00 0.00 C ATOM 884 CZ TYR A 59 -6.916 5.822 -0.291 1.00 0.00 C ATOM 885 OH TYR A 59 -7.327 6.373 -1.483 1.00 0.00 O ATOM 0 H TYR A 59 -3.416 5.521 3.721 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.204 5.757 4.676 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.743 3.498 3.252 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.408 3.431 3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.122 5.294 1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.154 4.267 2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.854 6.280 -0.621 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.890 5.247 0.295 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.610 6.290 -2.146 1.00 0.00 H new ATOM 895 N GLU A 60 -5.990 4.111 6.599 1.00 0.00 N ATOM 896 CA GLU A 60 -5.787 3.437 7.877 1.00 0.00 C ATOM 897 C GLU A 60 -6.867 2.385 8.114 1.00 0.00 C ATOM 898 O GLU A 60 -8.060 2.682 8.061 1.00 0.00 O ATOM 899 CB GLU A 60 -5.789 4.453 9.020 1.00 0.00 C ATOM 900 CG GLU A 60 -4.910 5.665 8.759 1.00 0.00 C ATOM 901 CD GLU A 60 -5.346 6.883 9.550 1.00 0.00 C ATOM 902 OE1 GLU A 60 -6.192 7.649 9.043 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.841 7.070 10.677 1.00 0.00 O ATOM 0 H GLU A 60 -6.966 4.299 6.371 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.818 2.938 7.846 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.811 4.787 9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.453 3.961 9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.878 5.422 9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.930 5.901 7.695 1.00 0.00 H new ATOM 910 N ALA A 61 -6.439 1.155 8.377 1.00 0.00 N ATOM 911 CA ALA A 61 -7.368 0.059 8.624 1.00 0.00 C ATOM 912 C ALA A 61 -6.773 -0.957 9.593 1.00 0.00 C ATOM 913 O ALA A 61 -5.724 -1.543 9.327 1.00 0.00 O ATOM 914 CB ALA A 61 -7.747 -0.617 7.315 1.00 0.00 C ATOM 0 H ALA A 61 -5.455 0.892 8.425 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.267 0.474 9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.441 -1.433 7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.221 0.109 6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.851 -1.012 6.836 1.00 0.00 H new ATOM 920 N SER A 62 -7.449 -1.160 10.719 1.00 0.00 N ATOM 921 CA SER A 62 -6.984 -2.102 11.731 1.00 0.00 C ATOM 922 C SER A 62 -7.687 -3.449 11.583 1.00 0.00 C ATOM 923 O SER A 62 -8.848 -3.515 11.181 1.00 0.00 O ATOM 924 CB SER A 62 -7.226 -1.539 13.132 1.00 0.00 C ATOM 925 OG SER A 62 -8.611 -1.489 13.430 1.00 0.00 O ATOM 0 H SER A 62 -8.321 -0.685 10.954 1.00 0.00 H new ATOM 0 HA SER A 62 -5.914 -2.252 11.588 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.714 -2.158 13.869 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.799 -0.539 13.204 1.00 0.00 H new ATOM 0 HG SER A 62 -8.739 -1.127 14.332 1.00 0.00 H new ATOM 931 N GLY A 63 -6.973 -4.521 11.911 1.00 0.00 N ATOM 932 CA GLY A 63 -7.543 -5.852 11.808 1.00 0.00 C ATOM 933 C GLY A 63 -7.063 -6.775 12.910 1.00 0.00 C ATOM 934 O GLY A 63 -6.379 -6.358 13.845 1.00 0.00 O ATOM 0 H GLY A 63 -6.010 -4.492 12.246 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.630 -5.782 11.845 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.284 -6.281 10.840 1.00 0.00 H new ATOM 938 N PRO A 64 -7.425 -8.063 12.808 1.00 0.00 N ATOM 939 CA PRO A 64 -7.038 -9.074 13.796 1.00 0.00 C ATOM 940 C PRO A 64 -5.546 -9.388 13.750 1.00 0.00 C ATOM 941 O PRO A 64 -4.928 -9.662 14.779 1.00 0.00 O ATOM 942 CB PRO A 64 -7.855 -10.302 13.386 1.00 0.00 C ATOM 943 CG PRO A 64 -8.117 -10.114 11.931 1.00 0.00 C ATOM 944 CD PRO A 64 -8.239 -8.630 11.720 1.00 0.00 C ATOM 0 HA PRO A 64 -7.227 -8.740 14.816 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.305 -11.224 13.573 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.785 -10.365 13.951 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.306 -10.528 11.332 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.030 -10.627 11.629 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.865 -8.331 10.741 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.276 -8.299 11.780 1.00 0.00 H new ATOM 952 N SER A 65 -4.974 -9.347 12.551 1.00 0.00 N ATOM 953 CA SER A 65 -3.555 -9.631 12.371 1.00 0.00 C ATOM 954 C SER A 65 -2.945 -8.706 11.322 1.00 0.00 C ATOM 955 O SER A 65 -3.648 -8.169 10.467 1.00 0.00 O ATOM 956 CB SER A 65 -3.353 -11.090 11.961 1.00 0.00 C ATOM 957 OG SER A 65 -3.625 -11.967 13.041 1.00 0.00 O ATOM 0 H SER A 65 -5.471 -9.120 11.690 1.00 0.00 H new ATOM 0 HA SER A 65 -3.051 -9.456 13.322 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.006 -11.329 11.122 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.328 -11.236 11.619 1.00 0.00 H new ATOM 0 HG SER A 65 -3.490 -12.894 12.752 1.00 0.00 H new ATOM 963 N LYS A 66 -1.631 -8.526 11.395 1.00 0.00 N ATOM 964 CA LYS A 66 -0.923 -7.668 10.452 1.00 0.00 C ATOM 965 C LYS A 66 -1.331 -7.983 9.016 1.00 0.00 C ATOM 966 O LYS A 66 -1.761 -7.101 8.274 1.00 0.00 O ATOM 967 CB LYS A 66 0.590 -7.838 10.612 1.00 0.00 C ATOM 968 CG LYS A 66 1.200 -6.907 11.645 1.00 0.00 C ATOM 969 CD LYS A 66 2.672 -6.653 11.367 1.00 0.00 C ATOM 970 CE LYS A 66 3.446 -6.391 12.650 1.00 0.00 C ATOM 971 NZ LYS A 66 4.853 -5.990 12.377 1.00 0.00 N ATOM 0 H LYS A 66 -1.034 -8.963 12.098 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.192 -6.634 10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.804 -8.869 10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.071 -7.664 9.649 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.660 -5.960 11.646 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.086 -7.340 12.639 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.100 -7.514 10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.775 -5.798 10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.949 -5.606 13.220 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.438 -7.288 13.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.346 -5.821 13.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.335 -6.749 11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.862 -5.119 11.808 1.00 0.00 H new ATOM 985 N LYS A 67 -1.195 -9.248 8.632 1.00 0.00 N ATOM 986 CA LYS A 67 -1.552 -9.682 7.287 1.00 0.00 C ATOM 987 C LYS A 67 -2.890 -9.086 6.860 1.00 0.00 C ATOM 988 O LYS A 67 -2.957 -8.289 5.924 1.00 0.00 O ATOM 989 CB LYS A 67 -1.618 -11.209 7.222 1.00 0.00 C ATOM 990 CG LYS A 67 -2.218 -11.738 5.930 1.00 0.00 C ATOM 991 CD LYS A 67 -1.180 -11.810 4.823 1.00 0.00 C ATOM 992 CE LYS A 67 -1.703 -12.577 3.618 1.00 0.00 C ATOM 993 NZ LYS A 67 -2.532 -11.716 2.729 1.00 0.00 N ATOM 0 H LYS A 67 -0.840 -9.991 9.234 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.781 -9.328 6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.612 -11.613 7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.207 -11.575 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.638 -12.729 6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.040 -11.093 5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.899 -10.801 4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.278 -12.292 5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.863 -12.981 3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.296 -13.426 3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.425 -12.202 2.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.737 -10.816 3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.014 -11.528 1.847 1.00 0.00 H new ATOM 1007 N THR A 68 -3.955 -9.477 7.554 1.00 0.00 N ATOM 1008 CA THR A 68 -5.291 -8.982 7.247 1.00 0.00 C ATOM 1009 C THR A 68 -5.337 -7.459 7.296 1.00 0.00 C ATOM 1010 O THR A 68 -6.034 -6.824 6.505 1.00 0.00 O ATOM 1011 CB THR A 68 -6.338 -9.548 8.225 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.048 -10.920 8.514 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.739 -9.432 7.643 1.00 0.00 C ATOM 0 H THR A 68 -3.918 -10.135 8.332 1.00 0.00 H new ATOM 0 HA THR A 68 -5.529 -9.318 6.238 1.00 0.00 H new ATOM 0 HB THR A 68 -6.294 -8.967 9.146 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.717 -11.271 9.138 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.462 -9.838 8.351 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.968 -8.384 7.452 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.792 -9.991 6.709 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.591 -6.879 8.229 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.545 -5.429 8.379 1.00 0.00 C ATOM 1023 C ALA A 69 -4.098 -4.758 7.085 1.00 0.00 C ATOM 1024 O ALA A 69 -4.765 -3.854 6.581 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.617 -5.046 9.523 1.00 0.00 C ATOM 0 H ALA A 69 -4.010 -7.390 8.893 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.551 -5.080 8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.592 -3.961 9.624 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.981 -5.488 10.450 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.612 -5.414 9.315 1.00 0.00 H new ATOM 1031 N LYS A 70 -2.966 -5.204 6.553 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.429 -4.647 5.317 1.00 0.00 C ATOM 1033 C LYS A 70 -3.434 -4.782 4.177 1.00 0.00 C ATOM 1034 O LYS A 70 -3.441 -3.980 3.243 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.121 -5.347 4.943 1.00 0.00 C ATOM 1036 CG LYS A 70 0.113 -4.684 5.529 1.00 0.00 C ATOM 1037 CD LYS A 70 1.288 -5.646 5.588 1.00 0.00 C ATOM 1038 CE LYS A 70 1.896 -5.869 4.212 1.00 0.00 C ATOM 1039 NZ LYS A 70 3.273 -6.431 4.299 1.00 0.00 N ATOM 0 H LYS A 70 -2.402 -5.951 6.959 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.233 -3.588 5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.163 -6.382 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.029 -5.371 3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.382 -3.816 4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.110 -4.319 6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.048 -5.253 6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.958 -6.600 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.262 -6.547 3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.923 -4.924 3.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.653 -6.569 3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.884 -5.772 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.244 -7.345 4.795 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.283 -5.800 4.262 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.295 -6.040 3.238 1.00 0.00 C ATOM 1055 C LEU A 71 -6.421 -5.016 3.335 1.00 0.00 C ATOM 1056 O LEU A 71 -6.775 -4.371 2.347 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.863 -7.454 3.376 1.00 0.00 C ATOM 1058 CG LEU A 71 -6.960 -7.836 2.381 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.354 -8.221 1.040 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.806 -8.974 2.932 1.00 0.00 C ATOM 0 H LEU A 71 -4.291 -6.473 5.029 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.820 -5.939 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.043 -8.165 3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.259 -7.568 4.385 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.605 -6.970 2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.149 -8.490 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.792 -7.378 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.686 -9.072 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.582 -9.233 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.174 -9.843 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.270 -8.662 3.868 1.00 0.00 H new ATOM 1072 N HIS A 72 -6.979 -4.869 4.533 1.00 0.00 N ATOM 1073 CA HIS A 72 -8.064 -3.921 4.760 1.00 0.00 C ATOM 1074 C HIS A 72 -7.737 -2.564 4.143 1.00 0.00 C ATOM 1075 O HIS A 72 -8.499 -2.041 3.329 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.326 -3.763 6.258 1.00 0.00 C ATOM 1077 CG HIS A 72 -8.851 -5.006 6.908 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -9.347 -5.030 8.195 1.00 0.00 N ATOM 1079 CD2 HIS A 72 -8.957 -6.272 6.442 1.00 0.00 C ATOM 1080 CE1 HIS A 72 -9.734 -6.258 8.492 1.00 0.00 C ATOM 1081 NE2 HIS A 72 -9.508 -7.030 7.445 1.00 0.00 N ATOM 0 H HIS A 72 -6.698 -5.394 5.361 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.962 -4.312 4.281 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.400 -3.468 6.751 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.040 -2.954 6.410 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -9.406 -4.226 8.820 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.663 -6.621 5.463 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.162 -6.576 9.431 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.600 -1.999 4.536 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.172 -0.703 4.021 1.00 0.00 C ATOM 1092 C VAL A 73 -6.384 -0.614 2.514 1.00 0.00 C ATOM 1093 O VAL A 73 -7.001 0.329 2.019 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.689 -0.436 4.337 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.148 0.680 3.457 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.510 -0.099 5.810 1.00 0.00 C ATOM 0 H VAL A 73 -5.958 -2.418 5.209 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.783 0.052 4.516 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.122 -1.342 4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.099 0.855 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.240 0.394 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.717 1.592 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.456 0.087 6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.089 0.792 6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.857 -0.934 6.419 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.868 -1.601 1.790 1.00 0.00 N ATOM 1107 CA ALA A 74 -6.003 -1.635 0.339 1.00 0.00 C ATOM 1108 C ALA A 74 -7.461 -1.485 -0.081 1.00 0.00 C ATOM 1109 O ALA A 74 -7.804 -0.602 -0.867 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.423 -2.928 -0.215 1.00 0.00 C ATOM 0 H ALA A 74 -5.353 -2.388 2.184 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.445 -0.794 -0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.531 -2.940 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.367 -2.994 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.956 -3.778 0.212 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.317 -2.355 0.448 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.739 -2.318 0.128 1.00 0.00 C ATOM 1118 C VAL A 75 -10.255 -0.885 0.077 1.00 0.00 C ATOM 1119 O VAL A 75 -10.985 -0.508 -0.839 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.566 -3.114 1.156 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -12.052 -2.985 0.861 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -10.140 -4.574 1.166 1.00 0.00 C ATOM 0 H VAL A 75 -8.050 -3.093 1.099 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.854 -2.777 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.380 -2.699 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.620 -3.554 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.343 -1.936 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.260 -3.373 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.734 -5.121 1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.295 -5.005 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.085 -4.643 1.431 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.869 -0.088 1.068 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.289 1.307 1.137 1.00 0.00 C ATOM 1134 C LYS A 76 -9.730 2.103 -0.037 1.00 0.00 C ATOM 1135 O LYS A 76 -10.425 2.931 -0.626 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.832 1.934 2.456 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.489 1.322 3.681 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.707 1.630 4.947 1.00 0.00 C ATOM 1139 CE LYS A 76 -10.149 2.947 5.568 1.00 0.00 C ATOM 1140 NZ LYS A 76 -9.473 4.113 4.935 1.00 0.00 N ATOM 0 H LYS A 76 -9.266 -0.385 1.835 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.377 1.335 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.751 1.828 2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.047 3.002 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.505 1.704 3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.565 0.242 3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.845 0.823 5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.642 1.674 4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.229 3.053 5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.931 2.936 6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.433 4.901 5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.507 3.846 4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.006 4.408 4.092 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.470 1.845 -0.374 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.818 2.536 -1.481 1.00 0.00 C ATOM 1156 C VAL A 77 -8.545 2.276 -2.795 1.00 0.00 C ATOM 1157 O VAL A 77 -8.836 3.205 -3.551 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.348 2.102 -1.625 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.604 3.039 -2.565 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.671 2.052 -0.263 1.00 0.00 C ATOM 0 H VAL A 77 -7.881 1.163 0.103 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.854 3.602 -1.255 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.324 1.100 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.567 2.716 -2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.076 3.019 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.636 4.054 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.633 1.743 -0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.705 3.040 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.190 1.337 0.375 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.836 1.008 -3.063 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.531 0.625 -4.287 1.00 0.00 C ATOM 1172 C LEU A 78 -10.891 1.308 -4.379 1.00 0.00 C ATOM 1173 O LEU A 78 -11.291 1.775 -5.445 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.705 -0.894 -4.344 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.421 -1.720 -4.273 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.744 -3.203 -4.178 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.540 -1.442 -5.483 1.00 0.00 C ATOM 0 H LEU A 78 -8.602 0.228 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.926 0.948 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.354 -1.196 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.224 -1.146 -5.269 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.875 -1.429 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.817 -3.775 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.334 -3.390 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.312 -3.509 -5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.630 -2.039 -5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.079 -1.704 -6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.279 -0.384 -5.508 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.596 1.365 -3.254 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.911 1.993 -3.207 1.00 0.00 C ATOM 1191 C GLN A 79 -12.825 3.465 -3.596 1.00 0.00 C ATOM 1192 O GLN A 79 -13.711 3.993 -4.267 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.516 1.857 -1.809 1.00 0.00 C ATOM 1194 CG GLN A 79 -14.074 0.473 -1.520 1.00 0.00 C ATOM 1195 CD GLN A 79 -14.920 0.436 -0.263 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -16.127 0.675 -0.306 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -14.291 0.134 0.867 1.00 0.00 N ATOM 0 H GLN A 79 -11.279 0.984 -2.363 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.555 1.483 -3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.753 2.094 -1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.312 2.592 -1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.675 0.143 -2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.250 -0.233 -1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.289 -0.057 0.858 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.810 0.093 1.744 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.752 4.123 -3.169 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.549 5.534 -3.473 1.00 0.00 C ATOM 1208 C ALA A 80 -11.446 5.761 -4.978 1.00 0.00 C ATOM 1209 O ALA A 80 -12.126 6.625 -5.532 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.302 6.051 -2.773 1.00 0.00 C ATOM 0 H ALA A 80 -11.010 3.701 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.413 6.088 -3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.163 7.106 -3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.414 5.932 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.434 5.486 -3.112 1.00 0.00 H new ATOM 1216 N MET A 81 -10.592 4.982 -5.632 1.00 0.00 N ATOM 1217 CA MET A 81 -10.401 5.099 -7.073 1.00 0.00 C ATOM 1218 C MET A 81 -11.673 4.715 -7.823 1.00 0.00 C ATOM 1219 O MET A 81 -11.873 5.114 -8.970 1.00 0.00 O ATOM 1220 CB MET A 81 -9.240 4.214 -7.529 1.00 0.00 C ATOM 1221 CG MET A 81 -7.964 4.426 -6.730 1.00 0.00 C ATOM 1222 SD MET A 81 -6.481 4.004 -7.665 1.00 0.00 S ATOM 1223 CE MET A 81 -5.330 3.659 -6.336 1.00 0.00 C ATOM 0 H MET A 81 -10.021 4.263 -5.188 1.00 0.00 H new ATOM 0 HA MET A 81 -10.166 6.139 -7.300 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.538 3.169 -7.451 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.036 4.410 -8.582 1.00 0.00 H new ATOM 0 HG2 MET A 81 -7.906 5.468 -6.415 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.002 3.821 -5.824 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.312 3.662 -6.726 1.00 0.00 H new ATOM 0 HE2 MET A 81 -5.425 4.423 -5.565 1.00 0.00 H new ATOM 0 HE3 MET A 81 -5.551 2.681 -5.908 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.530 3.938 -7.168 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.771 3.513 -7.789 1.00 0.00 C ATOM 1235 C GLY A 82 -13.690 2.104 -8.340 1.00 0.00 C ATOM 1236 O GLY A 82 -14.380 1.766 -9.303 1.00 0.00 O ATOM 0 H GLY A 82 -12.387 3.595 -6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.577 3.568 -7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.025 4.201 -8.595 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.846 1.279 -7.731 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.674 -0.101 -8.170 1.00 0.00 C ATOM 1242 C TYR A 83 -13.535 -1.047 -7.339 1.00 0.00 C ATOM 1243 O TYR A 83 -13.860 -0.778 -6.182 1.00 0.00 O ATOM 1244 CB TYR A 83 -11.204 -0.510 -8.071 1.00 0.00 C ATOM 1245 CG TYR A 83 -10.331 0.104 -9.142 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -10.599 -0.105 -10.489 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.237 0.892 -8.807 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -9.804 0.453 -11.471 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.437 1.456 -9.782 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.725 1.233 -11.112 1.00 0.00 C ATOM 1251 OH TYR A 83 -7.929 1.792 -12.087 1.00 0.00 O ATOM 0 H TYR A 83 -12.270 1.542 -6.931 1.00 0.00 H new ATOM 0 HA TYR A 83 -12.993 -0.168 -9.210 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.821 -0.222 -7.092 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -11.133 -1.596 -8.134 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -11.444 -0.715 -10.773 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.008 1.067 -7.766 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -10.026 0.279 -12.514 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.591 2.068 -9.504 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.214 2.313 -11.666 1.00 0.00 H new ATOM 1261 N PRO A 84 -13.913 -2.184 -7.942 1.00 0.00 N ATOM 1262 CA PRO A 84 -14.740 -3.196 -7.277 1.00 0.00 C ATOM 1263 C PRO A 84 -13.988 -3.920 -6.166 1.00 0.00 C ATOM 1264 O PRO A 84 -12.877 -4.410 -6.371 1.00 0.00 O ATOM 1265 CB PRO A 84 -15.090 -4.167 -8.407 1.00 0.00 C ATOM 1266 CG PRO A 84 -13.987 -4.010 -9.396 1.00 0.00 C ATOM 1267 CD PRO A 84 -13.563 -2.570 -9.319 1.00 0.00 C ATOM 0 HA PRO A 84 -15.610 -2.756 -6.791 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.152 -5.192 -8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.056 -3.927 -8.850 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.155 -4.675 -9.162 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.325 -4.264 -10.401 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.496 -2.455 -9.510 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.086 -1.957 -10.053 1.00 0.00 H new ATOM 1275 N THR A 85 -14.600 -3.985 -4.987 1.00 0.00 N ATOM 1276 CA THR A 85 -13.988 -4.649 -3.843 1.00 0.00 C ATOM 1277 C THR A 85 -14.935 -5.676 -3.232 1.00 0.00 C ATOM 1278 O THR A 85 -16.063 -5.844 -3.691 1.00 0.00 O ATOM 1279 CB THR A 85 -13.578 -3.635 -2.758 1.00 0.00 C ATOM 1280 OG1 THR A 85 -14.713 -2.858 -2.361 1.00 0.00 O ATOM 1281 CG2 THR A 85 -12.479 -2.714 -3.266 1.00 0.00 C ATOM 0 H THR A 85 -15.520 -3.585 -4.800 1.00 0.00 H new ATOM 0 HA THR A 85 -13.096 -5.156 -4.211 1.00 0.00 H new ATOM 0 HB THR A 85 -13.198 -4.188 -1.899 1.00 0.00 H new ATOM 0 HG1 THR A 85 -14.445 -2.217 -1.670 1.00 0.00 H new ATOM 0 HG21 THR A 85 -12.206 -2.007 -2.483 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.606 -3.306 -3.541 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.836 -2.168 -4.139 1.00 0.00 H new ATOM 1289 N GLY A 86 -14.467 -6.360 -2.193 1.00 0.00 N ATOM 1290 CA GLY A 86 -15.286 -7.362 -1.535 1.00 0.00 C ATOM 1291 C GLY A 86 -14.596 -7.976 -0.333 1.00 0.00 C ATOM 1292 O GLY A 86 -13.851 -8.947 -0.465 1.00 0.00 O ATOM 0 H GLY A 86 -13.536 -6.239 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.225 -6.909 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.536 -8.148 -2.248 1.00 0.00 H new ATOM 1296 N PHE A 87 -14.844 -7.409 0.843 1.00 0.00 N ATOM 1297 CA PHE A 87 -14.239 -7.905 2.073 1.00 0.00 C ATOM 1298 C PHE A 87 -15.280 -8.593 2.952 1.00 0.00 C ATOM 1299 O PHE A 87 -15.092 -9.733 3.379 1.00 0.00 O ATOM 1300 CB PHE A 87 -13.583 -6.757 2.844 1.00 0.00 C ATOM 1301 CG PHE A 87 -14.557 -5.707 3.298 1.00 0.00 C ATOM 1302 CD1 PHE A 87 -14.978 -4.712 2.431 1.00 0.00 C ATOM 1303 CD2 PHE A 87 -15.050 -5.716 4.593 1.00 0.00 C ATOM 1304 CE1 PHE A 87 -15.874 -3.745 2.846 1.00 0.00 C ATOM 1305 CE2 PHE A 87 -15.947 -4.751 5.013 1.00 0.00 C ATOM 1306 CZ PHE A 87 -16.358 -3.764 4.139 1.00 0.00 C ATOM 0 H PHE A 87 -15.460 -6.606 0.970 1.00 0.00 H new ATOM 0 HA PHE A 87 -13.476 -8.635 1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.066 -7.162 3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -12.827 -6.291 2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -14.602 -4.692 1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.730 -6.484 5.281 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -16.195 -2.975 2.160 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.326 -4.769 6.024 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.057 -3.008 4.466 1.00 0.00 H new ATOM 1316 N ASP A 88 -16.376 -7.892 3.218 1.00 0.00 N ATOM 1317 CA ASP A 88 -17.448 -8.434 4.046 1.00 0.00 C ATOM 1318 C ASP A 88 -18.127 -9.611 3.352 1.00 0.00 C ATOM 1319 O ASP A 88 -18.286 -9.618 2.132 1.00 0.00 O ATOM 1320 CB ASP A 88 -18.478 -7.348 4.359 1.00 0.00 C ATOM 1321 CG ASP A 88 -18.733 -6.433 3.178 1.00 0.00 C ATOM 1322 OD1 ASP A 88 -18.935 -6.950 2.059 1.00 0.00 O ATOM 1323 OD2 ASP A 88 -18.732 -5.199 3.372 1.00 0.00 O ATOM 0 H ASP A 88 -16.546 -6.947 2.873 1.00 0.00 H new ATOM 0 HA ASP A 88 -17.010 -8.788 4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -19.415 -7.816 4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.131 -6.755 5.205 1.00 0.00 H new ATOM 1328 N ALA A 89 -18.525 -10.606 4.139 1.00 0.00 N ATOM 1329 CA ALA A 89 -19.188 -11.787 3.602 1.00 0.00 C ATOM 1330 C ALA A 89 -20.703 -11.671 3.724 1.00 0.00 C ATOM 1331 O ALA A 89 -21.377 -12.616 4.134 1.00 0.00 O ATOM 1332 CB ALA A 89 -18.693 -13.039 4.312 1.00 0.00 C ATOM 0 H ALA A 89 -18.399 -10.617 5.151 1.00 0.00 H new ATOM 0 HA ALA A 89 -18.941 -11.861 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -19.197 -13.914 3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -17.617 -13.138 4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -18.910 -12.963 5.377 1.00 0.00 H new ATOM 1338 N ASP A 90 -21.233 -10.506 3.368 1.00 0.00 N ATOM 1339 CA ASP A 90 -22.670 -10.266 3.438 1.00 0.00 C ATOM 1340 C ASP A 90 -23.199 -9.744 2.105 1.00 0.00 C ATOM 1341 O ASP A 90 -23.865 -8.710 2.053 1.00 0.00 O ATOM 1342 CB ASP A 90 -22.988 -9.268 4.552 1.00 0.00 C ATOM 1343 CG ASP A 90 -22.045 -8.081 4.553 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -21.557 -7.710 3.465 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -21.797 -7.522 5.642 1.00 0.00 O ATOM 0 H ASP A 90 -20.689 -9.713 3.028 1.00 0.00 H new ATOM 0 HA ASP A 90 -23.162 -11.214 3.658 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -24.013 -8.914 4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -22.932 -9.774 5.516 1.00 0.00 H new ATOM 1350 N ILE A 91 -22.897 -10.466 1.031 1.00 0.00 N ATOM 1351 CA ILE A 91 -23.342 -10.076 -0.301 1.00 0.00 C ATOM 1352 C ILE A 91 -24.773 -10.537 -0.559 1.00 0.00 C ATOM 1353 O ILE A 91 -25.533 -9.871 -1.262 1.00 0.00 O ATOM 1354 CB ILE A 91 -22.424 -10.654 -1.393 1.00 0.00 C ATOM 1355 CG1 ILE A 91 -22.714 -12.143 -1.599 1.00 0.00 C ATOM 1356 CG2 ILE A 91 -20.963 -10.440 -1.026 1.00 0.00 C ATOM 1357 CD1 ILE A 91 -23.833 -12.410 -2.581 1.00 0.00 C ATOM 0 H ILE A 91 -22.346 -11.324 1.057 1.00 0.00 H new ATOM 0 HA ILE A 91 -23.300 -8.988 -0.342 1.00 0.00 H new ATOM 0 HB ILE A 91 -22.624 -10.131 -2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -21.808 -12.636 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -22.969 -12.591 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -20.327 -10.854 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -20.766 -9.373 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -20.748 -10.939 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -23.983 -13.485 -2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -24.751 -11.946 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -23.572 -11.991 -3.553 1.00 0.00 H new ATOM 1369 N SER A 92 -25.134 -11.679 0.017 1.00 0.00 N ATOM 1370 CA SER A 92 -26.473 -12.230 -0.152 1.00 0.00 C ATOM 1371 C SER A 92 -27.424 -11.682 0.908 1.00 0.00 C ATOM 1372 O SER A 92 -27.135 -11.733 2.103 1.00 0.00 O ATOM 1373 CB SER A 92 -26.432 -13.758 -0.076 1.00 0.00 C ATOM 1374 OG SER A 92 -25.878 -14.193 1.153 1.00 0.00 O ATOM 0 H SER A 92 -24.518 -12.241 0.605 1.00 0.00 H new ATOM 0 HA SER A 92 -26.841 -11.932 -1.134 1.00 0.00 H new ATOM 0 HB2 SER A 92 -27.440 -14.158 -0.186 1.00 0.00 H new ATOM 0 HB3 SER A 92 -25.842 -14.151 -0.904 1.00 0.00 H new ATOM 0 HG SER A 92 -26.151 -13.582 1.869 1.00 0.00 H new ATOM 1380 N GLY A 93 -28.561 -11.159 0.461 1.00 0.00 N ATOM 1381 CA GLY A 93 -29.538 -10.609 1.382 1.00 0.00 C ATOM 1382 C GLY A 93 -30.377 -11.682 2.047 1.00 0.00 C ATOM 1383 O GLY A 93 -30.418 -12.830 1.605 1.00 0.00 O ATOM 0 H GLY A 93 -28.823 -11.106 -0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -29.024 -10.028 2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -30.192 -9.922 0.845 1.00 0.00 H new ATOM 1387 N PRO A 94 -31.066 -11.310 3.136 1.00 0.00 N ATOM 1388 CA PRO A 94 -31.920 -12.236 3.886 1.00 0.00 C ATOM 1389 C PRO A 94 -33.172 -12.630 3.109 1.00 0.00 C ATOM 1390 O PRO A 94 -33.855 -11.777 2.541 1.00 0.00 O ATOM 1391 CB PRO A 94 -32.297 -11.437 5.136 1.00 0.00 C ATOM 1392 CG PRO A 94 -32.183 -10.010 4.722 1.00 0.00 C ATOM 1393 CD PRO A 94 -31.065 -9.958 3.718 1.00 0.00 C ATOM 0 HA PRO A 94 -31.411 -13.176 4.101 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -33.308 -11.674 5.467 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -31.629 -11.663 5.967 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -33.116 -9.655 4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -31.968 -9.371 5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -31.241 -9.194 2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -30.111 -9.725 4.191 1.00 0.00 H new ATOM 1401 N SER A 95 -33.466 -13.926 3.087 1.00 0.00 N ATOM 1402 CA SER A 95 -34.634 -14.432 2.376 1.00 0.00 C ATOM 1403 C SER A 95 -35.835 -13.514 2.579 1.00 0.00 C ATOM 1404 O SER A 95 -36.022 -12.948 3.656 1.00 0.00 O ATOM 1405 CB SER A 95 -34.973 -15.846 2.851 1.00 0.00 C ATOM 1406 OG SER A 95 -35.197 -15.874 4.250 1.00 0.00 O ATOM 0 H SER A 95 -32.912 -14.644 3.553 1.00 0.00 H new ATOM 0 HA SER A 95 -34.397 -14.460 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 95 -35.861 -16.205 2.330 1.00 0.00 H new ATOM 0 HB3 SER A 95 -34.158 -16.524 2.596 1.00 0.00 H new ATOM 0 HG SER A 95 -35.414 -16.788 4.528 1.00 0.00 H new ATOM 1412 N SER A 96 -36.645 -13.370 1.536 1.00 0.00 N ATOM 1413 CA SER A 96 -37.826 -12.517 1.597 1.00 0.00 C ATOM 1414 C SER A 96 -39.094 -13.354 1.739 1.00 0.00 C ATOM 1415 O SER A 96 -39.749 -13.683 0.751 1.00 0.00 O ATOM 1416 CB SER A 96 -37.917 -11.643 0.344 1.00 0.00 C ATOM 1417 OG SER A 96 -36.871 -10.688 0.312 1.00 0.00 O ATOM 0 H SER A 96 -36.505 -13.833 0.638 1.00 0.00 H new ATOM 0 HA SER A 96 -37.734 -11.875 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 96 -37.868 -12.271 -0.546 1.00 0.00 H new ATOM 0 HB3 SER A 96 -38.880 -11.133 0.321 1.00 0.00 H new ATOM 0 HG SER A 96 -36.950 -10.143 -0.499 1.00 0.00 H new ATOM 1423 N GLY A 97 -39.434 -13.696 2.979 1.00 0.00 N ATOM 1424 CA GLY A 97 -40.621 -14.492 3.229 1.00 0.00 C ATOM 1425 C GLY A 97 -41.826 -13.641 3.581 1.00 0.00 C ATOM 1426 O GLY A 97 -41.881 -12.460 3.239 1.00 0.00 O ATOM 0 H GLY A 97 -38.909 -13.436 3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -40.847 -15.089 2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -40.422 -15.189 4.043 1.00 0.00 H new TER 1430 GLY A 97