USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 560 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 49 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -163:sc= 0.263 (180deg=0.165) USER MOD Set 2.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 57 MET CE :methyl 177:sc= -0.838 (180deg=-0.893) USER MOD Set 3.1: A 41 MET CE :methyl -112:sc= -1.1 (180deg=-3.77!) USER MOD Set 3.2: A 76 MET CE :methyl -179:sc= -2.6 (180deg=-2.28) USER MOD Set 4.1: A 8 LYS NZ :NH3+ 163:sc= 1.83 (180deg=0.75) USER MOD Set 4.2: A 9 SER OG : rot 83:sc= 1.72 USER MOD Single : A 7 TYR OH : rot -157:sc= 1.18 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.688 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.635 X(o=-0.64,f=-0.8) USER MOD Single : A 19 SER OG : rot 180:sc= 0.148 USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= 0.454 (180deg=0.279) USER MOD Single : A 23 MET CE :methyl 169:sc= 0 (180deg=-0.134) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 1.07 (180deg=1.03) USER MOD Single : A 32 GLN : amide:sc= 1.2 K(o=1.2,f=-0.52) USER MOD Single : A 38 TYR OH : rot 25:sc= 1.28 USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 1.16 (180deg=1.01) USER MOD Single : A 40 LYS NZ :NH3+ 131:sc= 0.393 (180deg=-0.408) USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0123) USER MOD Single : A 48 SER OG : rot -88:sc= 1.35 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 75:sc= 1.13 USER MOD Single : A 59 ASN : amide:sc= 0.124! X(o=0.12!,f=-0.058) USER MOD Single : A 62 LYS NZ :NH3+ -135:sc= -0.0903 (180deg=-0.954) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0613) USER MOD Single : A 65 SER OG : rot 180:sc= -0.18 USER MOD Single : A 70 LYS NZ :NH3+ -157:sc= 0.263 (180deg=0.0962) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -43:sc= 0.728 USER MOD Single : A 78 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0399) USER MOD ----------------------------------------------------------------- ATOM 25 N GLY A 3 2.517 -10.310 -3.775 1.00 0.00 N ATOM 26 CA GLY A 3 2.723 -8.920 -3.383 1.00 0.00 C ATOM 27 C GLY A 3 3.488 -8.119 -4.437 1.00 0.00 C ATOM 28 O GLY A 3 2.972 -7.153 -4.999 1.00 0.00 O ATOM 0 HA2 GLY A 3 1.756 -8.449 -3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.270 -8.889 -2.441 1.00 0.00 H new ATOM 32 N ALA A 4 4.722 -8.549 -4.704 1.00 0.00 N ATOM 33 CA ALA A 4 5.686 -7.949 -5.622 1.00 0.00 C ATOM 34 C ALA A 4 5.036 -7.495 -6.930 1.00 0.00 C ATOM 35 O ALA A 4 5.202 -6.352 -7.357 1.00 0.00 O ATOM 36 CB ALA A 4 6.805 -8.958 -5.902 1.00 0.00 C ATOM 0 H ALA A 4 5.098 -9.383 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 4 6.096 -7.057 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.529 -8.517 -6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.302 -9.219 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.381 -9.856 -6.351 1.00 0.00 H new ATOM 42 N ALA A 5 4.280 -8.410 -7.546 1.00 0.00 N ATOM 43 CA ALA A 5 3.573 -8.193 -8.801 1.00 0.00 C ATOM 44 C ALA A 5 2.741 -6.909 -8.785 1.00 0.00 C ATOM 45 O ALA A 5 2.610 -6.255 -9.815 1.00 0.00 O ATOM 46 CB ALA A 5 2.684 -9.401 -9.097 1.00 0.00 C ATOM 0 H ALA A 5 4.143 -9.348 -7.169 1.00 0.00 H new ATOM 0 HA ALA A 5 4.317 -8.077 -9.589 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.154 -9.241 -10.036 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.301 -10.296 -9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.963 -9.528 -8.290 1.00 0.00 H new ATOM 52 N LEU A 6 2.155 -6.565 -7.635 1.00 0.00 N ATOM 53 CA LEU A 6 1.390 -5.339 -7.483 1.00 0.00 C ATOM 54 C LEU A 6 2.345 -4.218 -7.080 1.00 0.00 C ATOM 55 O LEU A 6 2.343 -3.146 -7.691 1.00 0.00 O ATOM 56 CB LEU A 6 0.288 -5.508 -6.429 1.00 0.00 C ATOM 57 CG LEU A 6 -0.660 -6.676 -6.752 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.373 -7.879 -5.846 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.120 -6.246 -6.575 1.00 0.00 C ATOM 0 H LEU A 6 2.201 -7.132 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 6 0.906 -5.094 -8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.745 -5.674 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.288 -4.585 -6.359 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.491 -6.965 -7.789 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.056 -8.692 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.655 -8.210 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.514 -7.591 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.777 -7.084 -6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.284 -5.931 -5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.339 -5.416 -7.247 1.00 0.00 H new ATOM 71 N TYR A 7 3.170 -4.491 -6.060 1.00 0.00 N ATOM 72 CA TYR A 7 4.103 -3.536 -5.480 1.00 0.00 C ATOM 73 C TYR A 7 4.910 -2.775 -6.526 1.00 0.00 C ATOM 74 O TYR A 7 5.112 -1.570 -6.374 1.00 0.00 O ATOM 75 CB TYR A 7 5.025 -4.192 -4.448 1.00 0.00 C ATOM 76 CG TYR A 7 5.800 -3.165 -3.643 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.094 -2.199 -2.902 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.194 -3.039 -3.790 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.768 -1.116 -2.321 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.876 -1.977 -3.169 1.00 0.00 C ATOM 81 CZ TYR A 7 7.157 -1.005 -2.452 1.00 0.00 C ATOM 82 OH TYR A 7 7.778 0.075 -1.910 1.00 0.00 O ATOM 0 H TYR A 7 3.202 -5.406 -5.610 1.00 0.00 H new ATOM 0 HA TYR A 7 3.486 -2.800 -4.964 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.432 -4.809 -3.773 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.724 -4.856 -4.957 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.025 -2.293 -2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.741 -3.759 -4.381 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.216 -0.367 -1.772 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.951 -1.908 -3.243 1.00 0.00 H new ATOM 0 HH TYR A 7 8.634 0.222 -2.363 1.00 0.00 H new ATOM 92 N LYS A 8 5.346 -3.462 -7.587 1.00 0.00 N ATOM 93 CA LYS A 8 6.097 -2.855 -8.682 1.00 0.00 C ATOM 94 C LYS A 8 5.485 -1.529 -9.160 1.00 0.00 C ATOM 95 O LYS A 8 6.208 -0.636 -9.593 1.00 0.00 O ATOM 96 CB LYS A 8 6.289 -3.873 -9.816 1.00 0.00 C ATOM 97 CG LYS A 8 4.990 -4.309 -10.513 1.00 0.00 C ATOM 98 CD LYS A 8 4.676 -3.467 -11.761 1.00 0.00 C ATOM 99 CE LYS A 8 3.496 -4.047 -12.550 1.00 0.00 C ATOM 100 NZ LYS A 8 2.266 -4.105 -11.741 1.00 0.00 N ATOM 0 H LYS A 8 5.185 -4.462 -7.707 1.00 0.00 H new ATOM 0 HA LYS A 8 7.084 -2.585 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.959 -3.445 -10.561 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.784 -4.757 -9.413 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.070 -5.358 -10.798 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.161 -4.232 -9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.447 -2.444 -11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.557 -3.423 -12.402 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.318 -3.438 -13.436 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.749 -5.049 -12.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.444 -4.223 -12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.320 -4.910 -11.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.165 -3.223 -11.199 1.00 0.00 H new ATOM 114 N SER A 9 4.159 -1.390 -9.076 1.00 0.00 N ATOM 115 CA SER A 9 3.460 -0.169 -9.449 1.00 0.00 C ATOM 116 C SER A 9 3.664 0.900 -8.367 1.00 0.00 C ATOM 117 O SER A 9 4.046 2.037 -8.641 1.00 0.00 O ATOM 118 CB SER A 9 1.963 -0.474 -9.624 1.00 0.00 C ATOM 119 OG SER A 9 1.754 -1.806 -10.060 1.00 0.00 O ATOM 0 H SER A 9 3.541 -2.130 -8.744 1.00 0.00 H new ATOM 0 HA SER A 9 3.860 0.209 -10.390 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.445 -0.313 -8.679 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.531 0.219 -10.346 1.00 0.00 H new ATOM 0 HG SER A 9 1.770 -2.409 -9.288 1.00 0.00 H new ATOM 125 N CYS A 10 3.407 0.500 -7.120 1.00 0.00 N ATOM 126 CA CYS A 10 3.447 1.312 -5.914 1.00 0.00 C ATOM 127 C CYS A 10 4.823 1.949 -5.754 1.00 0.00 C ATOM 128 O CYS A 10 4.945 3.078 -5.271 1.00 0.00 O ATOM 129 CB CYS A 10 3.094 0.458 -4.699 1.00 0.00 C ATOM 130 SG CYS A 10 1.764 -0.744 -4.933 1.00 0.00 S ATOM 0 H CYS A 10 3.149 -0.466 -6.918 1.00 0.00 H new ATOM 0 HA CYS A 10 2.711 2.112 -5.996 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.989 -0.078 -4.384 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.816 1.123 -3.881 1.00 0.00 H new ATOM 0 HG CYS A 10 1.571 -1.399 -3.827 1.00 0.00 H new ATOM 135 N ILE A 11 5.862 1.220 -6.186 1.00 0.00 N ATOM 136 CA ILE A 11 7.235 1.704 -6.193 1.00 0.00 C ATOM 137 C ILE A 11 7.306 3.113 -6.786 1.00 0.00 C ATOM 138 O ILE A 11 8.112 3.919 -6.324 1.00 0.00 O ATOM 139 CB ILE A 11 8.170 0.734 -6.945 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.414 -0.514 -6.080 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.518 1.375 -7.321 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.332 -1.551 -6.734 1.00 0.00 C ATOM 0 H ILE A 11 5.764 0.269 -6.542 1.00 0.00 H new ATOM 0 HA ILE A 11 7.580 1.752 -5.160 1.00 0.00 H new ATOM 0 HB ILE A 11 7.674 0.464 -7.877 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.849 -0.206 -5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.455 -0.982 -5.855 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.133 0.646 -7.848 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.344 2.236 -7.966 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.032 1.698 -6.416 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.456 -2.401 -6.064 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.890 -1.889 -7.671 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.305 -1.101 -6.934 1.00 0.00 H new ATOM 154 N GLY A 12 6.464 3.422 -7.781 1.00 0.00 N ATOM 155 CA GLY A 12 6.407 4.740 -8.393 1.00 0.00 C ATOM 156 C GLY A 12 6.378 5.863 -7.353 1.00 0.00 C ATOM 157 O GLY A 12 7.003 6.902 -7.559 1.00 0.00 O ATOM 0 H GLY A 12 5.803 2.756 -8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.271 4.873 -9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.520 4.808 -9.022 1.00 0.00 H new ATOM 161 N CYS A 13 5.676 5.655 -6.232 1.00 0.00 N ATOM 162 CA CYS A 13 5.568 6.652 -5.170 1.00 0.00 C ATOM 163 C CYS A 13 6.311 6.240 -3.905 1.00 0.00 C ATOM 164 O CYS A 13 6.624 7.114 -3.103 1.00 0.00 O ATOM 165 CB CYS A 13 4.102 6.881 -4.812 1.00 0.00 C ATOM 166 SG CYS A 13 3.191 7.989 -5.919 1.00 0.00 S ATOM 0 H CYS A 13 5.169 4.791 -6.040 1.00 0.00 H new ATOM 0 HA CYS A 13 6.022 7.566 -5.554 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.595 5.916 -4.795 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.052 7.285 -3.801 1.00 0.00 H new ATOM 0 HG CYS A 13 1.962 8.098 -5.509 1.00 0.00 H new ATOM 171 N HIS A 14 6.561 4.942 -3.701 1.00 0.00 N ATOM 172 CA HIS A 14 7.145 4.421 -2.465 1.00 0.00 C ATOM 173 C HIS A 14 8.623 4.030 -2.549 1.00 0.00 C ATOM 174 O HIS A 14 9.299 3.958 -1.521 1.00 0.00 O ATOM 175 CB HIS A 14 6.262 3.266 -2.000 1.00 0.00 C ATOM 176 CG HIS A 14 4.925 3.764 -1.529 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.830 4.677 -0.495 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.638 3.586 -1.977 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.528 4.910 -0.296 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.736 4.209 -1.114 1.00 0.00 N ATOM 0 H HIS A 14 6.362 4.221 -4.394 1.00 0.00 H new ATOM 0 HA HIS A 14 7.160 5.228 -1.733 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.123 2.558 -2.817 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.758 2.727 -1.193 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.364 3.042 -2.869 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.154 5.595 0.450 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.718 4.145 -1.108 1.00 0.00 H new ATOM 188 N GLY A 15 9.154 3.815 -3.751 1.00 0.00 N ATOM 189 CA GLY A 15 10.541 3.420 -3.933 1.00 0.00 C ATOM 190 C GLY A 15 10.728 1.933 -3.631 1.00 0.00 C ATOM 191 O GLY A 15 9.915 1.320 -2.942 1.00 0.00 O ATOM 0 H GLY A 15 8.632 3.911 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.852 3.629 -4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.181 4.012 -3.278 1.00 0.00 H new ATOM 195 N ALA A 16 11.812 1.341 -4.138 1.00 0.00 N ATOM 196 CA ALA A 16 12.104 -0.080 -3.976 1.00 0.00 C ATOM 197 C ALA A 16 11.961 -0.552 -2.525 1.00 0.00 C ATOM 198 O ALA A 16 11.343 -1.578 -2.266 1.00 0.00 O ATOM 199 CB ALA A 16 13.508 -0.378 -4.508 1.00 0.00 C ATOM 0 H ALA A 16 12.517 1.843 -4.678 1.00 0.00 H new ATOM 0 HA ALA A 16 11.366 -0.637 -4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.725 -1.439 -4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.560 -0.115 -5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.240 0.208 -3.952 1.00 0.00 H new ATOM 205 N ASP A 17 12.520 0.211 -1.585 1.00 0.00 N ATOM 206 CA ASP A 17 12.519 -0.115 -0.162 1.00 0.00 C ATOM 207 C ASP A 17 11.228 0.312 0.556 1.00 0.00 C ATOM 208 O ASP A 17 11.047 0.001 1.724 1.00 0.00 O ATOM 209 CB ASP A 17 13.758 0.549 0.459 1.00 0.00 C ATOM 210 CG ASP A 17 13.924 0.263 1.949 1.00 0.00 C ATOM 211 OD1 ASP A 17 14.312 -0.879 2.272 1.00 0.00 O ATOM 212 OD2 ASP A 17 13.699 1.208 2.737 1.00 0.00 O ATOM 0 H ASP A 17 12.994 1.089 -1.797 1.00 0.00 H new ATOM 0 HA ASP A 17 12.557 -1.198 -0.042 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.647 0.205 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.695 1.627 0.309 1.00 0.00 H new ATOM 217 N GLY A 18 10.318 1.029 -0.106 1.00 0.00 N ATOM 218 CA GLY A 18 9.109 1.547 0.523 1.00 0.00 C ATOM 219 C GLY A 18 9.409 2.753 1.417 1.00 0.00 C ATOM 220 O GLY A 18 8.584 3.138 2.249 1.00 0.00 O ATOM 0 H GLY A 18 10.402 1.265 -1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.392 1.834 -0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.642 0.761 1.117 1.00 0.00 H new ATOM 224 N SER A 19 10.589 3.353 1.245 1.00 0.00 N ATOM 225 CA SER A 19 11.109 4.454 2.021 1.00 0.00 C ATOM 226 C SER A 19 10.568 5.811 1.572 1.00 0.00 C ATOM 227 O SER A 19 10.449 6.718 2.393 1.00 0.00 O ATOM 228 CB SER A 19 12.629 4.415 1.853 1.00 0.00 C ATOM 229 OG SER A 19 12.953 4.074 0.512 1.00 0.00 O ATOM 0 H SER A 19 11.236 3.057 0.514 1.00 0.00 H new ATOM 0 HA SER A 19 10.800 4.344 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.058 5.385 2.106 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.062 3.687 2.539 1.00 0.00 H new ATOM 0 HG SER A 19 13.927 4.051 0.406 1.00 0.00 H new ATOM 235 N LYS A 20 10.290 5.986 0.276 1.00 0.00 N ATOM 236 CA LYS A 20 9.883 7.242 -0.284 1.00 0.00 C ATOM 237 C LYS A 20 8.607 7.783 0.376 1.00 0.00 C ATOM 238 O LYS A 20 7.523 7.205 0.256 1.00 0.00 O ATOM 239 CB LYS A 20 9.752 7.044 -1.800 1.00 0.00 C ATOM 240 CG LYS A 20 10.171 8.320 -2.500 1.00 0.00 C ATOM 241 CD LYS A 20 9.630 8.451 -3.932 1.00 0.00 C ATOM 242 CE LYS A 20 10.017 7.257 -4.813 1.00 0.00 C ATOM 243 NZ LYS A 20 9.544 7.422 -6.200 1.00 0.00 N ATOM 0 H LYS A 20 10.348 5.234 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 20 10.629 8.011 -0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.376 6.212 -2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.724 6.792 -2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.830 9.173 -1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.260 8.367 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.544 8.540 -3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.012 9.369 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.101 7.140 -4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.597 6.344 -4.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.123 6.837 -6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.550 7.124 -6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.625 8.421 -6.478 1.00 0.00 H new ATOM 257 N ALA A 21 8.748 8.910 1.078 1.00 0.00 N ATOM 258 CA ALA A 21 7.653 9.593 1.742 1.00 0.00 C ATOM 259 C ALA A 21 6.794 10.290 0.686 1.00 0.00 C ATOM 260 O ALA A 21 6.957 11.480 0.423 1.00 0.00 O ATOM 261 CB ALA A 21 8.214 10.569 2.781 1.00 0.00 C ATOM 0 H ALA A 21 9.647 9.376 1.199 1.00 0.00 H new ATOM 0 HA ALA A 21 7.018 8.886 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.392 11.082 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.799 10.019 3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.851 11.301 2.285 1.00 0.00 H new ATOM 267 N ALA A 22 5.922 9.503 0.053 1.00 0.00 N ATOM 268 CA ALA A 22 4.991 9.902 -0.995 1.00 0.00 C ATOM 269 C ALA A 22 4.169 11.162 -0.669 1.00 0.00 C ATOM 270 O ALA A 22 4.179 11.653 0.460 1.00 0.00 O ATOM 271 CB ALA A 22 4.074 8.714 -1.291 1.00 0.00 C ATOM 0 H ALA A 22 5.845 8.510 0.275 1.00 0.00 H new ATOM 0 HA ALA A 22 5.579 10.177 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.366 8.987 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.673 7.866 -1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.529 8.441 -0.387 1.00 0.00 H new ATOM 277 N MET A 23 3.438 11.648 -1.685 1.00 0.00 N ATOM 278 CA MET A 23 2.612 12.858 -1.698 1.00 0.00 C ATOM 279 C MET A 23 2.243 13.414 -0.316 1.00 0.00 C ATOM 280 O MET A 23 1.281 12.962 0.299 1.00 0.00 O ATOM 281 CB MET A 23 1.331 12.624 -2.515 1.00 0.00 C ATOM 282 CG MET A 23 1.580 12.480 -4.020 1.00 0.00 C ATOM 283 SD MET A 23 0.073 12.403 -5.028 1.00 0.00 S ATOM 284 CE MET A 23 -0.520 14.106 -4.897 1.00 0.00 C ATOM 0 H MET A 23 3.409 11.167 -2.584 1.00 0.00 H new ATOM 0 HA MET A 23 3.241 13.617 -2.164 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.836 11.724 -2.149 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.646 13.455 -2.347 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.185 13.321 -4.357 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.165 11.577 -4.194 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.324 14.267 -5.615 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.893 14.285 -3.888 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.299 14.794 -5.109 1.00 0.00 H new ATOM 294 N GLY A 24 2.971 14.437 0.140 1.00 0.00 N ATOM 295 CA GLY A 24 2.699 15.104 1.404 1.00 0.00 C ATOM 296 C GLY A 24 3.302 14.350 2.586 1.00 0.00 C ATOM 297 O GLY A 24 2.592 13.999 3.528 1.00 0.00 O ATOM 0 H GLY A 24 3.769 14.823 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.103 16.116 1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.622 15.194 1.542 1.00 0.00 H new ATOM 301 N SER A 25 4.617 14.118 2.530 1.00 0.00 N ATOM 302 CA SER A 25 5.401 13.488 3.585 1.00 0.00 C ATOM 303 C SER A 25 4.722 12.244 4.164 1.00 0.00 C ATOM 304 O SER A 25 4.629 12.093 5.381 1.00 0.00 O ATOM 305 CB SER A 25 5.693 14.525 4.673 1.00 0.00 C ATOM 306 OG SER A 25 6.259 15.683 4.085 1.00 0.00 O ATOM 0 H SER A 25 5.180 14.374 1.719 1.00 0.00 H new ATOM 0 HA SER A 25 6.338 13.136 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.774 14.784 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.377 14.109 5.412 1.00 0.00 H new ATOM 0 HG SER A 25 6.444 16.347 4.782 1.00 0.00 H new ATOM 312 N ALA A 26 4.246 11.361 3.287 1.00 0.00 N ATOM 313 CA ALA A 26 3.568 10.138 3.682 1.00 0.00 C ATOM 314 C ALA A 26 4.434 9.288 4.611 1.00 0.00 C ATOM 315 O ALA A 26 5.639 9.174 4.390 1.00 0.00 O ATOM 316 CB ALA A 26 3.259 9.334 2.423 1.00 0.00 C ATOM 0 H ALA A 26 4.323 11.480 2.277 1.00 0.00 H new ATOM 0 HA ALA A 26 2.657 10.403 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.749 8.410 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.618 9.921 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.189 9.096 1.906 1.00 0.00 H new ATOM 322 N LYS A 27 3.827 8.670 5.630 1.00 0.00 N ATOM 323 CA LYS A 27 4.498 7.736 6.511 1.00 0.00 C ATOM 324 C LYS A 27 5.116 6.642 5.628 1.00 0.00 C ATOM 325 O LYS A 27 4.370 5.991 4.894 1.00 0.00 O ATOM 326 CB LYS A 27 3.438 7.143 7.454 1.00 0.00 C ATOM 327 CG LYS A 27 3.769 7.319 8.935 1.00 0.00 C ATOM 328 CD LYS A 27 4.988 6.522 9.425 1.00 0.00 C ATOM 329 CE LYS A 27 4.874 5.024 9.112 1.00 0.00 C ATOM 330 NZ LYS A 27 5.989 4.258 9.693 1.00 0.00 N ATOM 0 H LYS A 27 2.844 8.813 5.860 1.00 0.00 H new ATOM 0 HA LYS A 27 5.280 8.209 7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.476 7.613 7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.327 6.080 7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.943 8.377 9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.900 7.025 9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.890 6.920 8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.099 6.658 10.501 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.930 4.642 9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.857 4.879 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.877 3.251 9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.889 4.605 9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.990 4.376 10.726 1.00 0.00 H new ATOM 344 N PRO A 28 6.444 6.437 5.633 1.00 0.00 N ATOM 345 CA PRO A 28 7.056 5.429 4.789 1.00 0.00 C ATOM 346 C PRO A 28 6.423 4.056 4.990 1.00 0.00 C ATOM 347 O PRO A 28 6.060 3.675 6.101 1.00 0.00 O ATOM 348 CB PRO A 28 8.544 5.429 5.132 1.00 0.00 C ATOM 349 CG PRO A 28 8.778 6.866 5.598 1.00 0.00 C ATOM 350 CD PRO A 28 7.469 7.216 6.310 1.00 0.00 C ATOM 0 HA PRO A 28 6.902 5.659 3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.780 4.706 5.913 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.159 5.178 4.268 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.634 6.938 6.269 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.973 7.535 4.760 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.518 6.965 7.370 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.259 8.284 6.245 1.00 0.00 H new ATOM 358 N VAL A 29 6.289 3.318 3.895 1.00 0.00 N ATOM 359 CA VAL A 29 5.650 2.016 3.864 1.00 0.00 C ATOM 360 C VAL A 29 6.593 0.953 4.409 1.00 0.00 C ATOM 361 O VAL A 29 6.124 0.012 5.048 1.00 0.00 O ATOM 362 CB VAL A 29 5.271 1.726 2.409 1.00 0.00 C ATOM 363 CG1 VAL A 29 4.699 0.325 2.200 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.200 2.727 1.969 1.00 0.00 C ATOM 0 H VAL A 29 6.632 3.619 2.983 1.00 0.00 H new ATOM 0 HA VAL A 29 4.758 2.005 4.490 1.00 0.00 H new ATOM 0 HB VAL A 29 6.188 1.808 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.452 0.186 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.438 -0.418 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.799 0.206 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.922 2.530 0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.322 2.624 2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.593 3.740 2.053 1.00 0.00 H new ATOM 374 N LYS A 30 7.892 1.116 4.113 1.00 0.00 N ATOM 375 CA LYS A 30 9.019 0.272 4.496 1.00 0.00 C ATOM 376 C LYS A 30 8.684 -0.536 5.755 1.00 0.00 C ATOM 377 O LYS A 30 8.870 -0.066 6.875 1.00 0.00 O ATOM 378 CB LYS A 30 10.238 1.182 4.699 1.00 0.00 C ATOM 379 CG LYS A 30 11.449 0.548 5.410 1.00 0.00 C ATOM 380 CD LYS A 30 11.863 -0.811 4.827 1.00 0.00 C ATOM 381 CE LYS A 30 13.168 -1.307 5.455 1.00 0.00 C ATOM 382 NZ LYS A 30 13.646 -2.520 4.770 1.00 0.00 N ATOM 0 H LYS A 30 8.199 1.911 3.552 1.00 0.00 H new ATOM 0 HA LYS A 30 9.241 -0.456 3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.563 1.542 3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.923 2.054 5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.295 1.233 5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.215 0.424 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.072 -1.541 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.985 -0.725 3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.926 -0.526 5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.011 -1.518 6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.513 -2.860 5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.915 -3.258 4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.848 -2.299 3.774 1.00 0.00 H new ATOM 396 N GLY A 31 8.143 -1.736 5.543 1.00 0.00 N ATOM 397 CA GLY A 31 7.703 -2.667 6.561 1.00 0.00 C ATOM 398 C GLY A 31 7.112 -2.039 7.820 1.00 0.00 C ATOM 399 O GLY A 31 7.602 -2.324 8.910 1.00 0.00 O ATOM 0 H GLY A 31 7.995 -2.097 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.957 -3.330 6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.551 -3.288 6.850 1.00 0.00 H new ATOM 403 N GLN A 32 6.047 -1.232 7.684 1.00 0.00 N ATOM 404 CA GLN A 32 5.349 -0.672 8.859 1.00 0.00 C ATOM 405 C GLN A 32 5.071 -1.807 9.848 1.00 0.00 C ATOM 406 O GLN A 32 5.394 -1.759 11.032 1.00 0.00 O ATOM 407 CB GLN A 32 4.039 0.065 8.507 1.00 0.00 C ATOM 408 CG GLN A 32 4.166 0.942 7.262 1.00 0.00 C ATOM 409 CD GLN A 32 3.041 1.968 7.111 1.00 0.00 C ATOM 410 OE1 GLN A 32 1.898 1.681 7.451 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.344 3.151 6.576 1.00 0.00 N ATOM 0 H GLN A 32 5.652 -0.954 6.785 1.00 0.00 H new ATOM 0 HA GLN A 32 6.002 0.081 9.301 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.247 -0.667 8.350 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.738 0.684 9.352 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.121 1.466 7.294 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.183 0.303 6.379 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.305 3.357 6.304 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.614 3.850 6.438 1.00 0.00 H new ATOM 420 N GLY A 33 4.465 -2.835 9.273 1.00 0.00 N ATOM 421 CA GLY A 33 4.184 -4.136 9.864 1.00 0.00 C ATOM 422 C GLY A 33 3.138 -4.852 9.020 1.00 0.00 C ATOM 423 O GLY A 33 2.130 -4.240 8.709 1.00 0.00 O ATOM 0 H GLY A 33 4.132 -2.778 8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.096 -4.730 9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.824 -4.015 10.886 1.00 0.00 H new ATOM 427 N ALA A 34 3.332 -6.113 8.623 1.00 0.00 N ATOM 428 CA ALA A 34 2.365 -6.854 7.806 1.00 0.00 C ATOM 429 C ALA A 34 0.917 -6.660 8.264 1.00 0.00 C ATOM 430 O ALA A 34 0.036 -6.470 7.432 1.00 0.00 O ATOM 431 CB ALA A 34 2.698 -8.350 7.810 1.00 0.00 C ATOM 0 H ALA A 34 4.166 -6.651 8.859 1.00 0.00 H new ATOM 0 HA ALA A 34 2.446 -6.450 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.971 -8.886 7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.697 -8.501 7.402 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.662 -8.728 8.832 1.00 0.00 H new ATOM 437 N GLU A 35 0.658 -6.702 9.573 1.00 0.00 N ATOM 438 CA GLU A 35 -0.692 -6.511 10.083 1.00 0.00 C ATOM 439 C GLU A 35 -1.172 -5.080 9.805 1.00 0.00 C ATOM 440 O GLU A 35 -2.284 -4.879 9.320 1.00 0.00 O ATOM 441 CB GLU A 35 -0.751 -6.836 11.582 1.00 0.00 C ATOM 442 CG GLU A 35 -2.198 -7.129 12.003 1.00 0.00 C ATOM 443 CD GLU A 35 -2.372 -7.031 13.514 1.00 0.00 C ATOM 444 OE1 GLU A 35 -1.891 -7.956 14.203 1.00 0.00 O ATOM 445 OE2 GLU A 35 -2.972 -6.023 13.947 1.00 0.00 O ATOM 0 H GLU A 35 1.364 -6.866 10.291 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.362 -7.197 9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.119 -7.697 11.800 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.359 -5.999 12.159 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.870 -6.425 11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.481 -8.127 11.667 1.00 0.00 H new ATOM 452 N GLU A 36 -0.345 -4.081 10.139 1.00 0.00 N ATOM 453 CA GLU A 36 -0.620 -2.683 9.950 1.00 0.00 C ATOM 454 C GLU A 36 -0.953 -2.447 8.487 1.00 0.00 C ATOM 455 O GLU A 36 -2.013 -1.930 8.144 1.00 0.00 O ATOM 456 CB GLU A 36 0.666 -1.955 10.355 1.00 0.00 C ATOM 457 CG GLU A 36 0.931 -1.981 11.859 1.00 0.00 C ATOM 458 CD GLU A 36 -0.160 -1.247 12.632 1.00 0.00 C ATOM 459 OE1 GLU A 36 -0.117 0.002 12.628 1.00 0.00 O ATOM 460 OE2 GLU A 36 -1.040 -1.950 13.176 1.00 0.00 O ATOM 0 H GLU A 36 0.567 -4.250 10.564 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.464 -2.327 10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.510 -2.410 9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.608 -0.919 10.022 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.989 -3.014 12.201 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.897 -1.522 12.067 1.00 0.00 H new ATOM 467 N LEU A 37 -0.014 -2.853 7.640 1.00 0.00 N ATOM 468 CA LEU A 37 -0.080 -2.799 6.218 1.00 0.00 C ATOM 469 C LEU A 37 -1.390 -3.430 5.756 1.00 0.00 C ATOM 470 O LEU A 37 -2.197 -2.733 5.156 1.00 0.00 O ATOM 471 CB LEU A 37 1.181 -3.522 5.748 1.00 0.00 C ATOM 472 CG LEU A 37 2.444 -2.648 5.847 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.666 -3.484 5.458 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.341 -1.416 4.943 1.00 0.00 C ATOM 0 H LEU A 37 0.865 -3.252 7.970 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.094 -1.794 5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.321 -4.423 6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.047 -3.842 4.715 1.00 0.00 H new ATOM 0 HG LEU A 37 2.545 -2.298 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.564 -2.870 5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.756 -4.334 6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.550 -3.844 4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.249 -0.820 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.220 -1.734 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.481 -0.817 5.241 1.00 0.00 H new ATOM 486 N TYR A 38 -1.638 -4.709 6.055 1.00 0.00 N ATOM 487 CA TYR A 38 -2.864 -5.394 5.668 1.00 0.00 C ATOM 488 C TYR A 38 -4.102 -4.555 5.973 1.00 0.00 C ATOM 489 O TYR A 38 -4.910 -4.301 5.079 1.00 0.00 O ATOM 490 CB TYR A 38 -2.962 -6.786 6.300 1.00 0.00 C ATOM 491 CG TYR A 38 -4.270 -7.489 5.976 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.704 -7.586 4.639 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.123 -7.908 7.015 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.976 -8.104 4.344 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.382 -8.455 6.715 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.803 -8.567 5.380 1.00 0.00 C ATOM 497 OH TYR A 38 -8.004 -9.144 5.097 1.00 0.00 O ATOM 0 H TYR A 38 -0.987 -5.297 6.575 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.823 -5.531 4.587 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.130 -7.398 5.951 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.861 -6.697 7.382 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.056 -7.261 3.838 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.809 -7.809 8.044 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.318 -8.146 3.320 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.028 -8.790 7.513 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.981 -9.519 4.192 1.00 0.00 H new ATOM 507 N LYS A 39 -4.248 -4.127 7.228 1.00 0.00 N ATOM 508 CA LYS A 39 -5.365 -3.287 7.621 1.00 0.00 C ATOM 509 C LYS A 39 -5.448 -2.035 6.748 1.00 0.00 C ATOM 510 O LYS A 39 -6.527 -1.688 6.279 1.00 0.00 O ATOM 511 CB LYS A 39 -5.243 -2.914 9.100 1.00 0.00 C ATOM 512 CG LYS A 39 -5.456 -4.142 9.993 1.00 0.00 C ATOM 513 CD LYS A 39 -5.613 -3.758 11.469 1.00 0.00 C ATOM 514 CE LYS A 39 -4.444 -2.962 12.065 1.00 0.00 C ATOM 515 NZ LYS A 39 -3.191 -3.735 12.066 1.00 0.00 N ATOM 0 H LYS A 39 -3.603 -4.352 7.985 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.288 -3.849 7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.259 -2.486 9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.977 -2.147 9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.344 -4.681 9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.611 -4.821 9.883 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.525 -3.172 11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.746 -4.669 12.053 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.303 -2.044 11.494 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.689 -2.668 13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.403 -3.118 12.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.271 -4.525 12.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.013 -4.109 11.112 1.00 0.00 H new ATOM 529 N LYS A 40 -4.325 -1.351 6.530 1.00 0.00 N ATOM 530 CA LYS A 40 -4.257 -0.165 5.715 1.00 0.00 C ATOM 531 C LYS A 40 -4.664 -0.465 4.264 1.00 0.00 C ATOM 532 O LYS A 40 -5.594 0.177 3.788 1.00 0.00 O ATOM 533 CB LYS A 40 -2.856 0.422 5.889 1.00 0.00 C ATOM 534 CG LYS A 40 -2.703 1.021 7.298 1.00 0.00 C ATOM 535 CD LYS A 40 -1.228 1.159 7.697 1.00 0.00 C ATOM 536 CE LYS A 40 -1.066 1.712 9.119 1.00 0.00 C ATOM 537 NZ LYS A 40 -1.683 0.834 10.129 1.00 0.00 N ATOM 0 H LYS A 40 -3.426 -1.621 6.928 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.977 0.591 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.107 -0.354 5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.680 1.192 5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.183 1.999 7.332 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.218 0.388 8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.742 0.186 7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.722 1.818 6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.006 1.832 9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.517 2.702 9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.007 0.665 10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.537 1.289 10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.940 -0.073 9.690 1.00 0.00 H new ATOM 551 N MET A 41 -4.035 -1.413 3.545 1.00 0.00 N ATOM 552 CA MET A 41 -4.460 -1.735 2.181 1.00 0.00 C ATOM 553 C MET A 41 -5.943 -2.112 2.135 1.00 0.00 C ATOM 554 O MET A 41 -6.660 -1.651 1.246 1.00 0.00 O ATOM 555 CB MET A 41 -3.581 -2.776 1.454 1.00 0.00 C ATOM 556 CG MET A 41 -2.579 -3.636 2.236 1.00 0.00 C ATOM 557 SD MET A 41 -0.951 -2.884 2.464 1.00 0.00 S ATOM 558 CE MET A 41 -0.367 -2.913 0.757 1.00 0.00 C ATOM 0 H MET A 41 -3.243 -1.959 3.884 1.00 0.00 H new ATOM 0 HA MET A 41 -4.316 -0.814 1.615 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.254 -3.459 0.936 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.017 -2.242 0.689 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.001 -3.860 3.216 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.455 -4.587 1.717 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.459 -3.618 0.667 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.180 -3.221 0.100 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.027 -1.917 0.472 1.00 0.00 H new ATOM 568 N LYS A 42 -6.416 -2.931 3.079 1.00 0.00 N ATOM 569 CA LYS A 42 -7.827 -3.285 3.141 1.00 0.00 C ATOM 570 C LYS A 42 -8.671 -2.015 3.296 1.00 0.00 C ATOM 571 O LYS A 42 -9.659 -1.834 2.589 1.00 0.00 O ATOM 572 CB LYS A 42 -8.047 -4.289 4.280 1.00 0.00 C ATOM 573 CG LYS A 42 -9.516 -4.717 4.395 1.00 0.00 C ATOM 574 CD LYS A 42 -9.689 -5.932 5.319 1.00 0.00 C ATOM 575 CE LYS A 42 -9.060 -5.750 6.706 1.00 0.00 C ATOM 576 NZ LYS A 42 -9.559 -4.540 7.384 1.00 0.00 N ATOM 0 H LYS A 42 -5.841 -3.357 3.806 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.145 -3.767 2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.425 -5.169 4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.724 -3.845 5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.108 -3.885 4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.903 -4.956 3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.753 -6.138 5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.246 -6.806 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.276 -6.625 7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.976 -5.690 6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.161 -4.491 8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.272 -3.697 6.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.597 -4.577 7.441 1.00 0.00 H new ATOM 590 N GLY A 43 -8.269 -1.132 4.211 1.00 0.00 N ATOM 591 CA GLY A 43 -8.926 0.133 4.486 1.00 0.00 C ATOM 592 C GLY A 43 -9.002 1.011 3.239 1.00 0.00 C ATOM 593 O GLY A 43 -10.059 1.564 2.930 1.00 0.00 O ATOM 0 H GLY A 43 -7.449 -1.289 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.932 -0.053 4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.385 0.661 5.271 1.00 0.00 H new ATOM 597 N TYR A 44 -7.872 1.159 2.542 1.00 0.00 N ATOM 598 CA TYR A 44 -7.758 1.913 1.312 1.00 0.00 C ATOM 599 C TYR A 44 -8.728 1.315 0.293 1.00 0.00 C ATOM 600 O TYR A 44 -9.611 2.014 -0.188 1.00 0.00 O ATOM 601 CB TYR A 44 -6.309 1.851 0.800 1.00 0.00 C ATOM 602 CG TYR A 44 -5.302 2.807 1.425 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.429 4.191 1.201 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.116 2.315 2.008 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.403 5.066 1.601 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.104 3.196 2.424 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.243 4.571 2.204 1.00 0.00 C ATOM 608 OH TYR A 44 -2.239 5.428 2.531 1.00 0.00 O ATOM 0 H TYR A 44 -6.990 0.740 2.836 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.010 2.961 1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.944 0.835 0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.324 2.033 -0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.315 4.581 0.722 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.984 1.251 2.136 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.512 6.128 1.441 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.220 2.813 2.913 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.503 4.928 2.943 1.00 0.00 H new ATOM 618 N ALA A 45 -8.595 0.019 -0.011 1.00 0.00 N ATOM 619 CA ALA A 45 -9.445 -0.666 -0.981 1.00 0.00 C ATOM 620 C ALA A 45 -10.927 -0.479 -0.652 1.00 0.00 C ATOM 621 O ALA A 45 -11.725 -0.146 -1.524 1.00 0.00 O ATOM 622 CB ALA A 45 -9.075 -2.151 -1.036 1.00 0.00 C ATOM 0 H ALA A 45 -7.890 -0.584 0.413 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.276 -0.225 -1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.712 -2.658 -1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.032 -2.255 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.218 -2.598 -0.052 1.00 0.00 H new ATOM 628 N ASP A 46 -11.294 -0.695 0.613 1.00 0.00 N ATOM 629 CA ASP A 46 -12.657 -0.525 1.091 1.00 0.00 C ATOM 630 C ASP A 46 -13.109 0.932 0.948 1.00 0.00 C ATOM 631 O ASP A 46 -14.284 1.193 0.705 1.00 0.00 O ATOM 632 CB ASP A 46 -12.733 -0.991 2.547 1.00 0.00 C ATOM 633 CG ASP A 46 -14.107 -0.728 3.150 1.00 0.00 C ATOM 634 OD1 ASP A 46 -15.026 -1.516 2.845 1.00 0.00 O ATOM 635 OD2 ASP A 46 -14.202 0.255 3.918 1.00 0.00 O ATOM 0 H ASP A 46 -10.642 -0.996 1.338 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.333 -1.130 0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.510 -2.057 2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.973 -0.476 3.134 1.00 0.00 H new ATOM 640 N GLY A 47 -12.183 1.878 1.116 1.00 0.00 N ATOM 641 CA GLY A 47 -12.444 3.304 1.014 1.00 0.00 C ATOM 642 C GLY A 47 -12.726 3.920 2.380 1.00 0.00 C ATOM 643 O GLY A 47 -13.306 5.000 2.457 1.00 0.00 O ATOM 0 H GLY A 47 -11.210 1.662 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.586 3.800 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.296 3.473 0.355 1.00 0.00 H new ATOM 647 N SER A 48 -12.318 3.250 3.461 1.00 0.00 N ATOM 648 CA SER A 48 -12.454 3.736 4.815 1.00 0.00 C ATOM 649 C SER A 48 -11.170 4.487 5.150 1.00 0.00 C ATOM 650 O SER A 48 -11.194 5.669 5.488 1.00 0.00 O ATOM 651 CB SER A 48 -12.652 2.533 5.739 1.00 0.00 C ATOM 652 OG SER A 48 -12.060 1.372 5.189 1.00 0.00 O ATOM 0 H SER A 48 -11.874 2.333 3.405 1.00 0.00 H new ATOM 0 HA SER A 48 -13.308 4.403 4.935 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.213 2.743 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.717 2.363 5.898 1.00 0.00 H new ATOM 0 HG SER A 48 -12.704 0.922 4.603 1.00 0.00 H new ATOM 658 N TYR A 49 -10.032 3.796 5.036 1.00 0.00 N ATOM 659 CA TYR A 49 -8.731 4.388 5.306 1.00 0.00 C ATOM 660 C TYR A 49 -8.301 5.231 4.103 1.00 0.00 C ATOM 661 O TYR A 49 -7.300 4.933 3.456 1.00 0.00 O ATOM 662 CB TYR A 49 -7.700 3.300 5.656 1.00 0.00 C ATOM 663 CG TYR A 49 -6.438 3.852 6.281 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.504 4.421 7.564 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.236 3.904 5.552 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.388 5.080 8.099 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.111 4.546 6.098 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.191 5.142 7.370 1.00 0.00 C ATOM 669 OH TYR A 49 -3.138 5.832 7.887 1.00 0.00 O ATOM 0 H TYR A 49 -9.993 2.816 4.755 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.797 5.044 6.174 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.155 2.585 6.342 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.439 2.751 4.751 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.416 4.351 8.139 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.178 3.451 4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.450 5.541 9.074 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.186 4.582 5.542 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.380 5.784 7.268 1.00 0.00 H new ATOM 679 N GLY A 50 -9.052 6.289 3.789 1.00 0.00 N ATOM 680 CA GLY A 50 -8.732 7.121 2.645 1.00 0.00 C ATOM 681 C GLY A 50 -9.490 8.447 2.629 1.00 0.00 C ATOM 682 O GLY A 50 -10.703 8.480 2.815 1.00 0.00 O ATOM 0 H GLY A 50 -9.878 6.582 4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.661 7.323 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.957 6.571 1.731 1.00 0.00 H new ATOM 686 N GLY A 51 -8.753 9.541 2.411 1.00 0.00 N ATOM 687 CA GLY A 51 -9.244 10.894 2.241 1.00 0.00 C ATOM 688 C GLY A 51 -8.325 11.589 1.232 1.00 0.00 C ATOM 689 O GLY A 51 -7.139 11.260 1.152 1.00 0.00 O ATOM 0 H GLY A 51 -7.736 9.492 2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.273 10.887 1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.242 11.426 3.192 1.00 0.00 H new ATOM 693 N GLU A 52 -8.880 12.525 0.456 1.00 0.00 N ATOM 694 CA GLU A 52 -8.219 13.332 -0.563 1.00 0.00 C ATOM 695 C GLU A 52 -7.147 12.554 -1.345 1.00 0.00 C ATOM 696 O GLU A 52 -7.484 11.739 -2.201 1.00 0.00 O ATOM 697 CB GLU A 52 -7.701 14.643 0.061 1.00 0.00 C ATOM 698 CG GLU A 52 -8.833 15.556 0.565 1.00 0.00 C ATOM 699 CD GLU A 52 -9.510 15.028 1.828 1.00 0.00 C ATOM 700 OE1 GLU A 52 -8.931 15.241 2.914 1.00 0.00 O ATOM 701 OE2 GLU A 52 -10.579 14.395 1.678 1.00 0.00 O ATOM 0 H GLU A 52 -9.872 12.751 0.532 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.957 13.598 -1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.036 14.406 0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.109 15.182 -0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.430 16.549 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.580 15.667 -0.221 1.00 0.00 H new ATOM 708 N ARG A 53 -5.865 12.792 -1.044 1.00 0.00 N ATOM 709 CA ARG A 53 -4.723 12.174 -1.718 1.00 0.00 C ATOM 710 C ARG A 53 -4.870 10.656 -1.857 1.00 0.00 C ATOM 711 O ARG A 53 -4.486 10.071 -2.869 1.00 0.00 O ATOM 712 CB ARG A 53 -3.416 12.547 -0.989 1.00 0.00 C ATOM 713 CG ARG A 53 -3.300 11.962 0.430 1.00 0.00 C ATOM 714 CD ARG A 53 -2.017 12.432 1.126 1.00 0.00 C ATOM 715 NE ARG A 53 -1.867 11.804 2.450 1.00 0.00 N ATOM 716 CZ ARG A 53 -0.797 11.949 3.250 1.00 0.00 C ATOM 717 NH1 ARG A 53 0.266 12.644 2.835 1.00 0.00 N ATOM 718 NH2 ARG A 53 -0.789 11.384 4.462 1.00 0.00 N ATOM 0 H ARG A 53 -5.589 13.438 -0.304 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.688 12.568 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.570 12.202 -1.583 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.342 13.633 -0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.166 12.261 1.020 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.310 10.873 0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.154 12.189 0.506 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.036 13.516 1.235 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.631 11.216 2.784 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.268 13.068 1.907 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.076 12.751 3.446 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.594 10.844 4.778 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.022 11.493 5.070 1.00 0.00 H new ATOM 732 N LYS A 54 -5.455 10.023 -0.839 1.00 0.00 N ATOM 733 CA LYS A 54 -5.609 8.583 -0.766 1.00 0.00 C ATOM 734 C LYS A 54 -6.553 8.020 -1.829 1.00 0.00 C ATOM 735 O LYS A 54 -6.587 6.806 -2.024 1.00 0.00 O ATOM 736 CB LYS A 54 -6.070 8.214 0.642 1.00 0.00 C ATOM 737 CG LYS A 54 -5.049 8.727 1.676 1.00 0.00 C ATOM 738 CD LYS A 54 -5.265 8.222 3.113 1.00 0.00 C ATOM 739 CE LYS A 54 -3.976 8.401 3.922 1.00 0.00 C ATOM 740 NZ LYS A 54 -4.132 7.962 5.320 1.00 0.00 N ATOM 0 H LYS A 54 -5.840 10.513 -0.031 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.642 8.127 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.050 8.648 0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.177 7.133 0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.050 8.436 1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.078 9.817 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.080 8.772 3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.555 7.171 3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.172 7.834 3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.680 9.450 3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.360 8.355 5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.044 8.297 5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.102 6.923 5.363 1.00 0.00 H new ATOM 754 N ALA A 55 -7.321 8.875 -2.511 1.00 0.00 N ATOM 755 CA ALA A 55 -8.224 8.460 -3.580 1.00 0.00 C ATOM 756 C ALA A 55 -7.502 7.578 -4.609 1.00 0.00 C ATOM 757 O ALA A 55 -8.051 6.580 -5.077 1.00 0.00 O ATOM 758 CB ALA A 55 -8.824 9.696 -4.253 1.00 0.00 C ATOM 0 H ALA A 55 -7.331 9.879 -2.333 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.026 7.864 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.498 9.385 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.378 10.278 -3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.024 10.307 -4.671 1.00 0.00 H new ATOM 764 N MET A 56 -6.258 7.940 -4.941 1.00 0.00 N ATOM 765 CA MET A 56 -5.441 7.206 -5.893 1.00 0.00 C ATOM 766 C MET A 56 -5.332 5.737 -5.475 1.00 0.00 C ATOM 767 O MET A 56 -5.709 4.835 -6.222 1.00 0.00 O ATOM 768 CB MET A 56 -4.061 7.871 -5.984 1.00 0.00 C ATOM 769 CG MET A 56 -4.148 9.309 -6.513 1.00 0.00 C ATOM 770 SD MET A 56 -2.544 10.098 -6.794 1.00 0.00 S ATOM 771 CE MET A 56 -3.093 11.748 -7.281 1.00 0.00 C ATOM 0 H MET A 56 -5.793 8.759 -4.549 1.00 0.00 H new ATOM 0 HA MET A 56 -5.905 7.230 -6.879 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.595 7.875 -4.999 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.418 7.283 -6.638 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.707 9.306 -7.449 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.716 9.911 -5.804 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.225 12.372 -7.493 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.715 11.676 -8.173 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.671 12.193 -6.471 1.00 0.00 H new ATOM 781 N MET A 57 -4.838 5.498 -4.259 1.00 0.00 N ATOM 782 CA MET A 57 -4.690 4.173 -3.705 1.00 0.00 C ATOM 783 C MET A 57 -6.046 3.499 -3.585 1.00 0.00 C ATOM 784 O MET A 57 -6.178 2.343 -3.973 1.00 0.00 O ATOM 785 CB MET A 57 -4.022 4.303 -2.345 1.00 0.00 C ATOM 786 CG MET A 57 -2.512 4.448 -2.529 1.00 0.00 C ATOM 787 SD MET A 57 -1.597 4.797 -1.018 1.00 0.00 S ATOM 788 CE MET A 57 -2.209 6.445 -0.589 1.00 0.00 C ATOM 0 H MET A 57 -4.528 6.239 -3.630 1.00 0.00 H new ATOM 0 HA MET A 57 -4.075 3.554 -4.358 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.419 5.169 -1.815 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.242 3.427 -1.735 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.124 3.529 -2.968 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.323 5.248 -3.245 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.767 6.763 0.355 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.935 7.150 -1.374 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.294 6.416 -0.490 1.00 0.00 H new ATOM 798 N THR A 58 -7.041 4.223 -3.065 1.00 0.00 N ATOM 799 CA THR A 58 -8.401 3.727 -2.911 1.00 0.00 C ATOM 800 C THR A 58 -8.843 3.041 -4.203 1.00 0.00 C ATOM 801 O THR A 58 -9.341 1.918 -4.167 1.00 0.00 O ATOM 802 CB THR A 58 -9.340 4.870 -2.492 1.00 0.00 C ATOM 803 OG1 THR A 58 -8.886 5.446 -1.281 1.00 0.00 O ATOM 804 CG2 THR A 58 -10.791 4.419 -2.317 1.00 0.00 C ATOM 0 H THR A 58 -6.918 5.181 -2.737 1.00 0.00 H new ATOM 0 HA THR A 58 -8.441 2.983 -2.116 1.00 0.00 H new ATOM 0 HB THR A 58 -9.320 5.602 -3.300 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.101 6.005 -1.459 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.404 5.271 -2.021 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.162 4.015 -3.259 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.843 3.650 -1.546 1.00 0.00 H new ATOM 812 N ASN A 59 -8.630 3.692 -5.351 1.00 0.00 N ATOM 813 CA ASN A 59 -8.955 3.074 -6.628 1.00 0.00 C ATOM 814 C ASN A 59 -7.956 1.963 -6.964 1.00 0.00 C ATOM 815 O ASN A 59 -8.375 0.894 -7.402 1.00 0.00 O ATOM 816 CB ASN A 59 -8.993 4.119 -7.746 1.00 0.00 C ATOM 817 CG ASN A 59 -9.723 3.648 -9.010 1.00 0.00 C ATOM 818 OD1 ASN A 59 -10.194 4.480 -9.777 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.864 2.346 -9.271 1.00 0.00 N ATOM 0 H ASN A 59 -8.240 4.632 -5.417 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.946 2.629 -6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.479 5.020 -7.372 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.971 4.393 -8.009 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.363 2.045 -10.108 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.472 1.653 -8.633 1.00 0.00 H new ATOM 826 N ALA A 60 -6.651 2.208 -6.807 1.00 0.00 N ATOM 827 CA ALA A 60 -5.610 1.251 -7.169 1.00 0.00 C ATOM 828 C ALA A 60 -5.793 -0.104 -6.480 1.00 0.00 C ATOM 829 O ALA A 60 -6.024 -1.110 -7.147 1.00 0.00 O ATOM 830 CB ALA A 60 -4.217 1.830 -6.893 1.00 0.00 C ATOM 0 H ALA A 60 -6.289 3.081 -6.423 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.702 1.070 -8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.458 1.099 -7.171 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.078 2.738 -7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.124 2.065 -5.833 1.00 0.00 H new ATOM 836 N VAL A 61 -5.704 -0.152 -5.147 1.00 0.00 N ATOM 837 CA VAL A 61 -5.826 -1.419 -4.435 1.00 0.00 C ATOM 838 C VAL A 61 -7.204 -2.054 -4.640 1.00 0.00 C ATOM 839 O VAL A 61 -7.314 -3.277 -4.596 1.00 0.00 O ATOM 840 CB VAL A 61 -5.440 -1.305 -2.950 1.00 0.00 C ATOM 841 CG1 VAL A 61 -3.918 -1.231 -2.784 1.00 0.00 C ATOM 842 CG2 VAL A 61 -6.076 -0.120 -2.222 1.00 0.00 C ATOM 0 H VAL A 61 -5.550 0.661 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.098 -2.099 -4.877 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.834 -2.211 -2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.671 -1.151 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.463 -2.132 -3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.536 -0.358 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.751 -0.115 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.769 0.809 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.162 -0.208 -2.262 1.00 0.00 H new ATOM 852 N LYS A 62 -8.247 -1.262 -4.919 1.00 0.00 N ATOM 853 CA LYS A 62 -9.570 -1.802 -5.198 1.00 0.00 C ATOM 854 C LYS A 62 -9.545 -2.687 -6.450 1.00 0.00 C ATOM 855 O LYS A 62 -10.423 -3.531 -6.611 1.00 0.00 O ATOM 856 CB LYS A 62 -10.586 -0.655 -5.274 1.00 0.00 C ATOM 857 CG LYS A 62 -11.985 -1.071 -5.744 1.00 0.00 C ATOM 858 CD LYS A 62 -12.990 0.093 -5.734 1.00 0.00 C ATOM 859 CE LYS A 62 -13.269 0.653 -4.331 1.00 0.00 C ATOM 860 NZ LYS A 62 -12.351 1.747 -3.958 1.00 0.00 N ATOM 0 H LYS A 62 -8.193 -0.244 -4.956 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.887 -2.455 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.670 -0.196 -4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.202 0.109 -5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.918 -1.478 -6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.356 -1.870 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.611 0.895 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.928 -0.244 -6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.296 1.016 -4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.184 -0.151 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.013 1.600 -2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.540 1.756 -4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.852 2.656 -4.017 1.00 0.00 H new ATOM 874 N LYS A 63 -8.560 -2.517 -7.342 1.00 0.00 N ATOM 875 CA LYS A 63 -8.454 -3.381 -8.508 1.00 0.00 C ATOM 876 C LYS A 63 -7.959 -4.782 -8.113 1.00 0.00 C ATOM 877 O LYS A 63 -8.125 -5.729 -8.879 1.00 0.00 O ATOM 878 CB LYS A 63 -7.534 -2.766 -9.573 1.00 0.00 C ATOM 879 CG LYS A 63 -7.878 -1.314 -9.936 1.00 0.00 C ATOM 880 CD LYS A 63 -9.370 -1.059 -10.201 1.00 0.00 C ATOM 881 CE LYS A 63 -9.936 -1.880 -11.367 1.00 0.00 C ATOM 882 NZ LYS A 63 -9.230 -1.601 -12.630 1.00 0.00 N ATOM 0 H LYS A 63 -7.839 -1.799 -7.274 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.451 -3.479 -8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.505 -2.806 -9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.582 -3.376 -10.475 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.550 -0.663 -9.126 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.311 -1.031 -10.823 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.935 -1.289 -9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.518 0.001 -10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.858 -2.942 -11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.996 -1.657 -11.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.706 -2.097 -13.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.238 -0.577 -12.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.247 -1.932 -12.558 1.00 0.00 H new ATOM 896 N ALA A 64 -7.317 -4.908 -6.946 1.00 0.00 N ATOM 897 CA ALA A 64 -6.777 -6.155 -6.424 1.00 0.00 C ATOM 898 C ALA A 64 -7.806 -6.832 -5.512 1.00 0.00 C ATOM 899 O ALA A 64 -8.891 -6.300 -5.290 1.00 0.00 O ATOM 900 CB ALA A 64 -5.476 -5.829 -5.688 1.00 0.00 C ATOM 0 H ALA A 64 -7.157 -4.116 -6.324 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.562 -6.859 -7.228 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.047 -6.746 -5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.770 -5.372 -6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.683 -5.136 -4.873 1.00 0.00 H new ATOM 906 N SER A 65 -7.472 -8.013 -4.983 1.00 0.00 N ATOM 907 CA SER A 65 -8.344 -8.782 -4.098 1.00 0.00 C ATOM 908 C SER A 65 -7.614 -9.110 -2.795 1.00 0.00 C ATOM 909 O SER A 65 -6.399 -8.941 -2.700 1.00 0.00 O ATOM 910 CB SER A 65 -8.843 -10.035 -4.829 1.00 0.00 C ATOM 911 OG SER A 65 -7.755 -10.848 -5.216 1.00 0.00 O ATOM 0 H SER A 65 -6.576 -8.466 -5.162 1.00 0.00 H new ATOM 0 HA SER A 65 -9.220 -8.191 -3.829 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.513 -10.599 -4.180 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.419 -9.745 -5.708 1.00 0.00 H new ATOM 0 HG SER A 65 -8.090 -11.644 -5.679 1.00 0.00 H new ATOM 917 N ASP A 66 -8.352 -9.582 -1.784 1.00 0.00 N ATOM 918 CA ASP A 66 -7.823 -9.879 -0.456 1.00 0.00 C ATOM 919 C ASP A 66 -6.488 -10.629 -0.488 1.00 0.00 C ATOM 920 O ASP A 66 -5.566 -10.246 0.228 1.00 0.00 O ATOM 921 CB ASP A 66 -8.873 -10.642 0.361 1.00 0.00 C ATOM 922 CG ASP A 66 -8.387 -10.916 1.782 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.128 -9.924 2.498 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.291 -12.112 2.130 1.00 0.00 O ATOM 0 H ASP A 66 -9.351 -9.770 -1.871 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.610 -8.926 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.797 -10.065 0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.105 -11.585 -0.133 1.00 0.00 H new ATOM 929 N GLU A 67 -6.383 -11.681 -1.311 1.00 0.00 N ATOM 930 CA GLU A 67 -5.150 -12.449 -1.457 1.00 0.00 C ATOM 931 C GLU A 67 -3.977 -11.508 -1.722 1.00 0.00 C ATOM 932 O GLU A 67 -2.959 -11.535 -1.032 1.00 0.00 O ATOM 933 CB GLU A 67 -5.280 -13.467 -2.604 1.00 0.00 C ATOM 934 CG GLU A 67 -4.051 -14.395 -2.680 1.00 0.00 C ATOM 935 CD GLU A 67 -3.756 -14.851 -4.108 1.00 0.00 C ATOM 936 OE1 GLU A 67 -4.660 -15.473 -4.705 1.00 0.00 O ATOM 937 OE2 GLU A 67 -2.632 -14.561 -4.580 1.00 0.00 O ATOM 0 H GLU A 67 -7.151 -12.019 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.968 -12.993 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.180 -14.065 -2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.396 -12.938 -3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.181 -13.875 -2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.218 -15.268 -2.049 1.00 0.00 H new ATOM 944 N GLU A 68 -4.146 -10.681 -2.749 1.00 0.00 N ATOM 945 CA GLU A 68 -3.194 -9.720 -3.193 1.00 0.00 C ATOM 946 C GLU A 68 -2.850 -8.784 -2.047 1.00 0.00 C ATOM 947 O GLU A 68 -1.685 -8.660 -1.706 1.00 0.00 O ATOM 948 CB GLU A 68 -3.827 -8.949 -4.344 1.00 0.00 C ATOM 949 CG GLU A 68 -4.468 -9.793 -5.456 1.00 0.00 C ATOM 950 CD GLU A 68 -3.594 -10.958 -5.900 1.00 0.00 C ATOM 951 OE1 GLU A 68 -2.446 -10.697 -6.320 1.00 0.00 O ATOM 952 OE2 GLU A 68 -4.063 -12.110 -5.796 1.00 0.00 O ATOM 0 H GLU A 68 -4.999 -10.678 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.274 -10.200 -3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.590 -8.287 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.062 -8.315 -4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.426 -10.178 -5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.676 -9.155 -6.315 1.00 0.00 H new ATOM 959 N LEU A 69 -3.860 -8.139 -1.458 1.00 0.00 N ATOM 960 CA LEU A 69 -3.660 -7.191 -0.365 1.00 0.00 C ATOM 961 C LEU A 69 -2.807 -7.809 0.747 1.00 0.00 C ATOM 962 O LEU A 69 -1.802 -7.222 1.155 1.00 0.00 O ATOM 963 CB LEU A 69 -4.996 -6.678 0.195 1.00 0.00 C ATOM 964 CG LEU A 69 -5.938 -6.050 -0.847 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.110 -5.378 -0.126 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.250 -5.025 -1.753 1.00 0.00 C ATOM 0 H LEU A 69 -4.837 -8.260 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.124 -6.334 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.513 -7.507 0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.789 -5.938 0.968 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.281 -6.860 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.781 -4.931 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.653 -6.122 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.731 -4.602 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.973 -4.623 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.849 -4.214 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.438 -5.507 -2.297 1.00 0.00 H new ATOM 978 N LYS A 70 -3.195 -9.000 1.219 1.00 0.00 N ATOM 979 CA LYS A 70 -2.456 -9.708 2.254 1.00 0.00 C ATOM 980 C LYS A 70 -1.018 -9.928 1.796 1.00 0.00 C ATOM 981 O LYS A 70 -0.075 -9.645 2.530 1.00 0.00 O ATOM 982 CB LYS A 70 -3.120 -11.055 2.577 1.00 0.00 C ATOM 983 CG LYS A 70 -4.450 -10.869 3.316 1.00 0.00 C ATOM 984 CD LYS A 70 -5.106 -12.198 3.712 1.00 0.00 C ATOM 985 CE LYS A 70 -5.310 -13.122 2.506 1.00 0.00 C ATOM 986 NZ LYS A 70 -6.259 -14.206 2.814 1.00 0.00 N ATOM 0 H LYS A 70 -4.026 -9.492 0.892 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.459 -9.103 3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.291 -11.607 1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.446 -11.656 3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.281 -10.272 4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.136 -10.306 2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.485 -12.702 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.069 -12.000 4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.679 -12.542 1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.353 -13.549 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.094 -15.005 2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.122 -14.519 3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.232 -13.860 2.694 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.847 -10.425 0.572 1.00 0.00 N ATOM 1001 CA ALA A 71 0.468 -10.686 0.020 1.00 0.00 C ATOM 1002 C ALA A 71 1.285 -9.408 -0.181 1.00 0.00 C ATOM 1003 O ALA A 71 2.505 -9.451 -0.071 1.00 0.00 O ATOM 1004 CB ALA A 71 0.317 -11.464 -1.286 1.00 0.00 C ATOM 0 H ALA A 71 -1.616 -10.655 -0.057 1.00 0.00 H new ATOM 0 HA ALA A 71 1.027 -11.286 0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.303 -11.664 -1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.192 -12.408 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.267 -10.876 -1.994 1.00 0.00 H new ATOM 1010 N LEU A 72 0.644 -8.273 -0.470 1.00 0.00 N ATOM 1011 CA LEU A 72 1.304 -7.002 -0.690 1.00 0.00 C ATOM 1012 C LEU A 72 1.865 -6.559 0.654 1.00 0.00 C ATOM 1013 O LEU A 72 3.055 -6.264 0.774 1.00 0.00 O ATOM 1014 CB LEU A 72 0.284 -6.026 -1.298 1.00 0.00 C ATOM 1015 CG LEU A 72 0.826 -5.224 -2.486 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -0.325 -4.427 -3.109 1.00 0.00 C ATOM 1017 CD2 LEU A 72 1.959 -4.280 -2.098 1.00 0.00 C ATOM 0 H LEU A 72 -0.371 -8.220 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 72 2.133 -7.056 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.593 -6.587 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.047 -5.333 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 72 1.242 -5.932 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.048 -3.851 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.100 -5.113 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.742 -3.749 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.301 -3.740 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.601 -3.569 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.786 -4.856 -1.682 1.00 0.00 H new ATOM 1029 N ALA A 73 1.005 -6.572 1.677 1.00 0.00 N ATOM 1030 CA ALA A 73 1.408 -6.289 3.040 1.00 0.00 C ATOM 1031 C ALA A 73 2.557 -7.214 3.455 1.00 0.00 C ATOM 1032 O ALA A 73 3.583 -6.747 3.949 1.00 0.00 O ATOM 1033 CB ALA A 73 0.200 -6.455 3.961 1.00 0.00 C ATOM 0 H ALA A 73 0.012 -6.780 1.574 1.00 0.00 H new ATOM 0 HA ALA A 73 1.768 -5.263 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.495 -6.244 4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.586 -5.762 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.172 -7.477 3.893 1.00 0.00 H new ATOM 1039 N ASP A 74 2.396 -8.525 3.240 1.00 0.00 N ATOM 1040 CA ASP A 74 3.412 -9.504 3.589 1.00 0.00 C ATOM 1041 C ASP A 74 4.736 -9.166 2.908 1.00 0.00 C ATOM 1042 O ASP A 74 5.752 -9.040 3.587 1.00 0.00 O ATOM 1043 CB ASP A 74 2.949 -10.915 3.217 1.00 0.00 C ATOM 1044 CG ASP A 74 3.984 -11.952 3.638 1.00 0.00 C ATOM 1045 OD1 ASP A 74 3.904 -12.390 4.806 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.840 -12.283 2.789 1.00 0.00 O ATOM 0 H ASP A 74 1.558 -8.928 2.820 1.00 0.00 H new ATOM 0 HA ASP A 74 3.568 -9.473 4.667 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.996 -11.129 3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.782 -10.976 2.142 1.00 0.00 H new ATOM 1051 N TYR A 75 4.721 -8.996 1.581 1.00 0.00 N ATOM 1052 CA TYR A 75 5.913 -8.682 0.814 1.00 0.00 C ATOM 1053 C TYR A 75 6.605 -7.439 1.377 1.00 0.00 C ATOM 1054 O TYR A 75 7.779 -7.485 1.733 1.00 0.00 O ATOM 1055 CB TYR A 75 5.537 -8.507 -0.661 1.00 0.00 C ATOM 1056 CG TYR A 75 6.708 -8.152 -1.552 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.617 -9.154 -1.938 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.960 -6.809 -1.889 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.777 -8.815 -2.656 1.00 0.00 C ATOM 1060 CE2 TYR A 75 8.120 -6.473 -2.607 1.00 0.00 C ATOM 1061 CZ TYR A 75 9.028 -7.473 -2.989 1.00 0.00 C ATOM 1062 OH TYR A 75 10.143 -7.136 -3.695 1.00 0.00 O ATOM 0 H TYR A 75 3.876 -9.074 1.016 1.00 0.00 H new ATOM 0 HA TYR A 75 6.624 -9.505 0.891 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.084 -9.430 -1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.780 -7.727 -0.743 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.423 -10.185 -1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.263 -6.038 -1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.474 -9.585 -2.951 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.314 -5.442 -2.866 1.00 0.00 H new ATOM 0 HH TYR A 75 10.159 -6.167 -3.839 1.00 0.00 H new ATOM 1072 N MET A 76 5.875 -6.327 1.488 1.00 0.00 N ATOM 1073 CA MET A 76 6.430 -5.079 2.001 1.00 0.00 C ATOM 1074 C MET A 76 6.914 -5.210 3.448 1.00 0.00 C ATOM 1075 O MET A 76 7.782 -4.454 3.876 1.00 0.00 O ATOM 1076 CB MET A 76 5.379 -3.983 1.888 1.00 0.00 C ATOM 1077 CG MET A 76 5.076 -3.653 0.421 1.00 0.00 C ATOM 1078 SD MET A 76 3.871 -2.333 0.148 1.00 0.00 S ATOM 1079 CE MET A 76 2.838 -2.506 1.608 1.00 0.00 C ATOM 0 H MET A 76 4.891 -6.269 1.226 1.00 0.00 H new ATOM 0 HA MET A 76 7.303 -4.823 1.401 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.464 -4.300 2.388 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.728 -3.087 2.400 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.009 -3.376 -0.070 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.714 -4.557 -0.069 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.035 -1.769 1.575 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.410 -3.508 1.634 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.441 -2.345 2.502 1.00 0.00 H new ATOM 1089 N SER A 77 6.348 -6.145 4.213 1.00 0.00 N ATOM 1090 CA SER A 77 6.790 -6.430 5.570 1.00 0.00 C ATOM 1091 C SER A 77 7.995 -7.380 5.587 1.00 0.00 C ATOM 1092 O SER A 77 8.365 -7.840 6.669 1.00 0.00 O ATOM 1093 CB SER A 77 5.625 -7.018 6.370 1.00 0.00 C ATOM 1094 OG SER A 77 5.915 -7.020 7.758 1.00 0.00 O ATOM 0 H SER A 77 5.568 -6.725 3.904 1.00 0.00 H new ATOM 0 HA SER A 77 7.113 -5.497 6.031 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.721 -6.438 6.184 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.425 -8.036 6.035 1.00 0.00 H new ATOM 0 HG SER A 77 6.839 -7.313 7.899 1.00 0.00 H new ATOM 1100 N LYS A 78 8.573 -7.710 4.426 1.00 0.00 N ATOM 1101 CA LYS A 78 9.726 -8.579 4.265 1.00 0.00 C ATOM 1102 C LYS A 78 10.534 -7.973 3.117 1.00 0.00 C ATOM 1103 O LYS A 78 10.889 -8.653 2.154 1.00 0.00 O ATOM 1104 CB LYS A 78 9.247 -9.999 3.928 1.00 0.00 C ATOM 1105 CG LYS A 78 8.435 -10.632 5.065 1.00 0.00 C ATOM 1106 CD LYS A 78 8.015 -12.057 4.685 1.00 0.00 C ATOM 1107 CE LYS A 78 7.121 -12.683 5.762 1.00 0.00 C ATOM 1108 NZ LYS A 78 7.840 -12.874 7.034 1.00 0.00 N ATOM 0 H LYS A 78 8.226 -7.357 3.534 1.00 0.00 H new ATOM 0 HA LYS A 78 10.332 -8.653 5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.638 -9.968 3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.110 -10.627 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.029 -10.651 5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.552 -10.027 5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.483 -12.040 3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.902 -12.674 4.543 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.253 -12.045 5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.747 -13.644 5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.233 -13.391 7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.709 -13.419 6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.086 -11.947 7.436 1.00 0.00 H new ATOM 1122 N LEU A 79 10.783 -6.669 3.220 1.00 0.00 N ATOM 1123 CA LEU A 79 11.385 -5.827 2.227 1.00 0.00 C ATOM 1124 C LEU A 79 12.151 -4.771 3.020 1.00 0.00 C ATOM 1125 O LEU A 79 13.174 -4.279 2.500 1.00 0.00 O ATOM 1126 CB LEU A 79 10.203 -5.242 1.450 1.00 0.00 C ATOM 1127 CG LEU A 79 10.588 -4.200 0.417 1.00 0.00 C ATOM 1128 CD1 LEU A 79 11.333 -4.859 -0.745 1.00 0.00 C ATOM 1129 CD2 LEU A 79 9.325 -3.491 -0.082 1.00 0.00 C ATOM 1130 OXT LEU A 79 11.702 -4.497 4.159 1.00 0.00 O ATOM 0 H LEU A 79 10.547 -6.151 4.066 1.00 0.00 H new ATOM 0 HA LEU A 79 12.069 -6.310 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.675 -6.054 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.504 -4.795 2.157 1.00 0.00 H new ATOM 0 HG LEU A 79 11.252 -3.464 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.604 -4.101 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.236 -5.341 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.690 -5.605 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.598 -2.741 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.652 -4.221 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.825 -3.006 0.756 1.00 0.00 H new