USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 799 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 17 THR OG1 : rot 106:sc= 1.37 USER MOD Set 1.2: A 25 HIS : no HD1:sc= 1.05 K(o=2.4,f=-6.2!) USER MOD Set 2.1: A 10 SER OG : rot -131:sc= 0.239 USER MOD Set 2.2: A 12 ASN : amide:sc= -2.6 K(o=-2.4,f=-0.026) USER MOD Set 3.1: A 9 LYS NZ :NH3+ 171:sc= 1.44 (180deg=0.428) USER MOD Set 3.2: A 114 SER OG : rot -150:sc= 0.621 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 110:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.12) USER MOD Single : A 21 GLN : amide:sc= -0.0348 X(o=-0.035,f=-0.018) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 55 GLN : amide:sc= 0.527 K(o=0.53,f=-0.24) USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= 0.908 (180deg=0.849) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= 1.16 K(o=1.8,f=-5.7!) USER MOD Single : A 60 THR OG1 : rot -143:sc= 1.28 USER MOD Single : A 61 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.31) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0711 X(o=-0.071,f=-0.16) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -34:sc= 0.118 USER MOD Single : A 73 THR OG1 : rot -32:sc= 0.0893 USER MOD Single : A 74 ASN : amide:sc= -0.034 X(o=-0.034,f=-0.034) USER MOD Single : A 77 HIS : no HD1:sc= -0.0548 X(o=-0.055,f=-0.055) USER MOD Single : A 79 LYS NZ :NH3+ -146:sc= 0.236 (180deg=-0.266) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0913 K(o=-0.091,f=-3.1) USER MOD Single : A 83 THR OG1 : rot -55:sc= 1.26 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -113:sc= 0.809 USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0136) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -1.51 K(o=-1.5,f=-3.1) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.8 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc=-0.00184 X(o=-0.0018,f=-0.46) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 2 16.839 -6.617 15.429 1.00 0.00 N ATOM 28 CA PRO A 2 16.542 -7.971 14.945 1.00 0.00 C ATOM 29 C PRO A 2 17.398 -8.355 13.727 1.00 0.00 C ATOM 30 O PRO A 2 17.977 -9.441 13.687 1.00 0.00 O ATOM 31 CB PRO A 2 15.047 -7.973 14.602 1.00 0.00 C ATOM 32 CG PRO A 2 14.707 -6.503 14.355 1.00 0.00 C ATOM 33 CD PRO A 2 15.679 -5.738 15.255 1.00 0.00 C ATOM 0 HA PRO A 2 16.781 -8.715 15.705 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.843 -8.581 13.720 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.453 -8.386 15.418 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.839 -6.234 13.307 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.670 -6.285 14.612 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.971 -4.791 14.800 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.220 -5.502 16.215 1.00 0.00 H new ATOM 41 N CYS A 3 17.473 -7.454 12.742 1.00 0.00 N ATOM 42 CA CYS A 3 18.191 -7.613 11.471 1.00 0.00 C ATOM 43 C CYS A 3 18.917 -6.307 11.099 1.00 0.00 C ATOM 44 O CYS A 3 18.805 -5.298 11.803 1.00 0.00 O ATOM 45 CB CYS A 3 17.226 -8.098 10.362 1.00 0.00 C ATOM 46 SG CYS A 3 15.881 -9.166 10.972 1.00 0.00 S ATOM 0 H CYS A 3 17.011 -6.547 12.812 1.00 0.00 H new ATOM 0 HA CYS A 3 18.956 -8.381 11.581 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.791 -7.230 9.866 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.797 -8.642 9.609 1.00 0.00 H new ATOM 51 N LYS A 4 19.683 -6.317 10.003 1.00 0.00 N ATOM 52 CA LYS A 4 20.474 -5.173 9.528 1.00 0.00 C ATOM 53 C LYS A 4 19.689 -4.389 8.474 1.00 0.00 C ATOM 54 O LYS A 4 19.250 -4.975 7.484 1.00 0.00 O ATOM 55 CB LYS A 4 21.796 -5.677 8.928 1.00 0.00 C ATOM 56 CG LYS A 4 22.627 -6.626 9.816 1.00 0.00 C ATOM 57 CD LYS A 4 23.112 -6.037 11.148 1.00 0.00 C ATOM 58 CE LYS A 4 24.158 -4.936 10.927 1.00 0.00 C ATOM 59 NZ LYS A 4 24.779 -4.513 12.210 1.00 0.00 N ATOM 0 H LYS A 4 19.773 -7.139 9.406 1.00 0.00 H new ATOM 0 HA LYS A 4 20.686 -4.512 10.369 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.574 -6.190 7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.412 -4.812 8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 4 22.029 -7.512 10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.497 -6.957 9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.263 -5.629 11.698 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.540 -6.829 11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.931 -5.297 10.248 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.689 -4.077 10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 25.481 -3.768 12.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 24.044 -4.146 12.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 25.247 -5.328 12.655 1.00 0.00 H new ATOM 73 N TYR A 5 19.547 -3.077 8.658 1.00 0.00 N ATOM 74 CA TYR A 5 18.855 -2.173 7.725 1.00 0.00 C ATOM 75 C TYR A 5 19.647 -0.870 7.490 1.00 0.00 C ATOM 76 O TYR A 5 20.484 -0.490 8.313 1.00 0.00 O ATOM 77 CB TYR A 5 17.439 -1.848 8.236 1.00 0.00 C ATOM 78 CG TYR A 5 16.556 -3.029 8.615 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.600 -3.528 9.933 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.646 -3.586 7.689 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.721 -4.550 10.340 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.751 -4.592 8.104 1.00 0.00 C ATOM 83 CZ TYR A 5 14.781 -5.077 9.427 1.00 0.00 C ATOM 84 OH TYR A 5 13.902 -6.043 9.813 1.00 0.00 O ATOM 0 H TYR A 5 19.917 -2.596 9.478 1.00 0.00 H new ATOM 0 HA TYR A 5 18.780 -2.692 6.769 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.533 -1.201 9.108 1.00 0.00 H new ATOM 0 HB3 TYR A 5 16.924 -1.273 7.466 1.00 0.00 H new ATOM 0 HD1 TYR A 5 17.313 -3.123 10.636 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.636 -3.242 6.665 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.766 -4.931 11.350 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.036 -4.995 7.402 1.00 0.00 H new ATOM 0 HH TYR A 5 12.998 -5.667 9.849 1.00 0.00 H new ATOM 94 N LYS A 6 19.366 -0.175 6.378 1.00 0.00 N ATOM 95 CA LYS A 6 19.983 1.105 5.978 1.00 0.00 C ATOM 96 C LYS A 6 19.019 2.296 6.110 1.00 0.00 C ATOM 97 O LYS A 6 17.799 2.146 6.005 1.00 0.00 O ATOM 98 CB LYS A 6 20.604 0.984 4.568 1.00 0.00 C ATOM 99 CG LYS A 6 19.596 0.732 3.425 1.00 0.00 C ATOM 100 CD LYS A 6 19.782 -0.606 2.689 1.00 0.00 C ATOM 101 CE LYS A 6 21.053 -0.663 1.832 1.00 0.00 C ATOM 102 NZ LYS A 6 21.036 -1.853 0.939 1.00 0.00 N ATOM 0 H LYS A 6 18.674 -0.500 5.703 1.00 0.00 H new ATOM 0 HA LYS A 6 20.792 1.320 6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 6 21.154 1.900 4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 6 21.330 0.171 4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.586 0.769 3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.677 1.544 2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.811 -1.413 3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.916 -0.784 2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.135 0.245 1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.931 -0.700 2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.905 -1.871 0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.981 -2.718 1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.210 -1.803 0.309 1.00 0.00 H new ATOM 116 N LEU A 7 19.584 3.481 6.347 1.00 0.00 N ATOM 117 CA LEU A 7 18.879 4.731 6.664 1.00 0.00 C ATOM 118 C LEU A 7 18.267 5.375 5.407 1.00 0.00 C ATOM 119 O LEU A 7 18.987 5.880 4.541 1.00 0.00 O ATOM 120 CB LEU A 7 19.865 5.668 7.408 1.00 0.00 C ATOM 121 CG LEU A 7 19.254 6.691 8.388 1.00 0.00 C ATOM 122 CD1 LEU A 7 18.190 7.590 7.761 1.00 0.00 C ATOM 123 CD2 LEU A 7 18.653 6.012 9.621 1.00 0.00 C ATOM 0 H LEU A 7 20.596 3.605 6.323 1.00 0.00 H new ATOM 0 HA LEU A 7 18.030 4.527 7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.570 5.048 7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.441 6.216 6.662 1.00 0.00 H new ATOM 0 HG LEU A 7 20.095 7.320 8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.809 8.281 8.513 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.629 8.154 6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.372 6.977 7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.234 6.768 10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.866 5.325 9.311 1.00 0.00 H new ATOM 0 HD23 LEU A 7 19.431 5.459 10.147 1.00 0.00 H new ATOM 135 N LYS A 8 16.931 5.358 5.315 1.00 0.00 N ATOM 136 CA LYS A 8 16.139 5.967 4.234 1.00 0.00 C ATOM 137 C LYS A 8 14.952 6.767 4.792 1.00 0.00 C ATOM 138 O LYS A 8 14.072 6.214 5.451 1.00 0.00 O ATOM 139 CB LYS A 8 15.704 4.856 3.259 1.00 0.00 C ATOM 140 CG LYS A 8 14.995 5.361 1.990 1.00 0.00 C ATOM 141 CD LYS A 8 15.916 6.144 1.044 1.00 0.00 C ATOM 142 CE LYS A 8 15.159 6.494 -0.244 1.00 0.00 C ATOM 143 NZ LYS A 8 16.011 7.258 -1.193 1.00 0.00 N ATOM 0 H LYS A 8 16.348 4.903 6.017 1.00 0.00 H new ATOM 0 HA LYS A 8 16.746 6.689 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.584 4.284 2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.038 4.170 3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.576 4.509 1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.159 5.998 2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.264 7.055 1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.800 5.551 0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.812 5.578 -0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.273 7.080 0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.465 7.476 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.321 8.144 -0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.843 6.689 -1.448 1.00 0.00 H new ATOM 157 N LYS A 9 14.933 8.077 4.543 1.00 0.00 N ATOM 158 CA LYS A 9 13.828 9.006 4.874 1.00 0.00 C ATOM 159 C LYS A 9 13.473 9.902 3.680 1.00 0.00 C ATOM 160 O LYS A 9 14.334 10.199 2.849 1.00 0.00 O ATOM 161 CB LYS A 9 14.201 9.860 6.109 1.00 0.00 C ATOM 162 CG LYS A 9 14.585 9.055 7.367 1.00 0.00 C ATOM 163 CD LYS A 9 13.412 8.271 7.979 1.00 0.00 C ATOM 164 CE LYS A 9 13.921 7.097 8.829 1.00 0.00 C ATOM 165 NZ LYS A 9 13.376 5.796 8.356 1.00 0.00 N ATOM 0 H LYS A 9 15.714 8.549 4.087 1.00 0.00 H new ATOM 0 HA LYS A 9 12.945 8.412 5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.035 10.510 5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.358 10.506 6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.383 8.358 7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.985 9.738 8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.807 8.936 8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.766 7.897 7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.010 7.069 8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.638 7.253 9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.856 5.018 8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.356 5.755 8.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.535 5.705 7.332 1.00 0.00 H new ATOM 179 N SER A 10 12.215 10.338 3.600 1.00 0.00 N ATOM 180 CA SER A 10 11.703 11.265 2.576 1.00 0.00 C ATOM 181 C SER A 10 10.502 12.080 3.085 1.00 0.00 C ATOM 182 O SER A 10 10.020 11.877 4.203 1.00 0.00 O ATOM 183 CB SER A 10 11.316 10.485 1.311 1.00 0.00 C ATOM 184 OG SER A 10 11.275 11.376 0.207 1.00 0.00 O ATOM 0 H SER A 10 11.497 10.050 4.265 1.00 0.00 H new ATOM 0 HA SER A 10 12.500 11.971 2.341 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.038 9.690 1.125 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.345 10.009 1.446 1.00 0.00 H new ATOM 0 HG SER A 10 10.436 11.251 -0.283 1.00 0.00 H new ATOM 190 N THR A 11 9.987 13.000 2.266 1.00 0.00 N ATOM 191 CA THR A 11 8.769 13.769 2.555 1.00 0.00 C ATOM 192 C THR A 11 7.964 14.026 1.277 1.00 0.00 C ATOM 193 O THR A 11 8.353 14.852 0.450 1.00 0.00 O ATOM 194 CB THR A 11 9.068 15.097 3.269 1.00 0.00 C ATOM 195 OG1 THR A 11 10.023 14.959 4.305 1.00 0.00 O ATOM 196 CG2 THR A 11 7.781 15.607 3.912 1.00 0.00 C ATOM 0 H THR A 11 10.410 13.237 1.368 1.00 0.00 H new ATOM 0 HA THR A 11 8.172 13.160 3.234 1.00 0.00 H new ATOM 0 HB THR A 11 9.464 15.781 2.518 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.178 15.831 4.725 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.978 16.550 4.423 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.026 15.763 3.141 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.418 14.873 4.632 1.00 0.00 H new ATOM 204 N ASN A 12 6.865 13.289 1.087 1.00 0.00 N ATOM 205 CA ASN A 12 6.040 13.286 -0.135 1.00 0.00 C ATOM 206 C ASN A 12 4.702 12.532 0.035 1.00 0.00 C ATOM 207 O ASN A 12 4.482 11.864 1.044 1.00 0.00 O ATOM 208 CB ASN A 12 6.859 12.701 -1.312 1.00 0.00 C ATOM 209 CG ASN A 12 7.577 11.386 -1.048 1.00 0.00 C ATOM 210 OD1 ASN A 12 8.689 11.161 -1.499 1.00 0.00 O ATOM 211 ND2 ASN A 12 6.989 10.453 -0.346 1.00 0.00 N ATOM 0 H ASN A 12 6.509 12.655 1.802 1.00 0.00 H new ATOM 0 HA ASN A 12 5.773 14.321 -0.349 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.187 12.560 -2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.601 13.441 -1.613 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.459 9.562 -0.186 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.060 10.616 0.042 1.00 0.00 H new ATOM 218 N LYS A 13 3.834 12.616 -0.979 1.00 0.00 N ATOM 219 CA LYS A 13 2.601 11.824 -1.179 1.00 0.00 C ATOM 220 C LYS A 13 2.834 10.309 -1.307 1.00 0.00 C ATOM 221 O LYS A 13 3.966 9.840 -1.444 1.00 0.00 O ATOM 222 CB LYS A 13 1.829 12.366 -2.402 1.00 0.00 C ATOM 223 CG LYS A 13 2.659 12.701 -3.650 1.00 0.00 C ATOM 224 CD LYS A 13 2.792 14.218 -3.837 1.00 0.00 C ATOM 225 CE LYS A 13 3.563 14.519 -5.128 1.00 0.00 C ATOM 226 NZ LYS A 13 3.683 15.982 -5.370 1.00 0.00 N ATOM 0 H LYS A 13 3.978 13.283 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 13 2.007 11.945 -0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.076 11.630 -2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.296 13.266 -2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.649 12.255 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.189 12.263 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.804 14.676 -3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.310 14.654 -2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.558 14.077 -5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.056 14.051 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.210 16.146 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.734 16.399 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.189 16.425 -4.577 1.00 0.00 H new ATOM 240 N PHE A 14 1.740 9.549 -1.319 1.00 0.00 N ATOM 241 CA PHE A 14 1.693 8.087 -1.427 1.00 0.00 C ATOM 242 C PHE A 14 0.505 7.621 -2.283 1.00 0.00 C ATOM 243 O PHE A 14 -0.560 8.241 -2.298 1.00 0.00 O ATOM 244 CB PHE A 14 1.647 7.459 -0.020 1.00 0.00 C ATOM 245 CG PHE A 14 0.627 8.076 0.928 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.742 7.754 0.821 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.047 9.000 1.904 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.687 8.396 1.645 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.102 9.624 2.737 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.266 9.354 2.583 1.00 0.00 C ATOM 0 H PHE A 14 0.808 9.958 -1.250 1.00 0.00 H new ATOM 0 HA PHE A 14 2.599 7.751 -1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.430 6.395 -0.120 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.636 7.542 0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.067 7.013 0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.097 9.230 2.013 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.735 8.152 1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.431 10.315 3.499 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.993 9.881 3.183 1.00 0.00 H new ATOM 260 N CYS A 15 0.687 6.523 -3.020 1.00 0.00 N ATOM 261 CA CYS A 15 -0.352 5.909 -3.847 1.00 0.00 C ATOM 262 C CYS A 15 -0.878 4.608 -3.222 1.00 0.00 C ATOM 263 O CYS A 15 -0.125 3.806 -2.661 1.00 0.00 O ATOM 264 CB CYS A 15 0.161 5.673 -5.273 1.00 0.00 C ATOM 265 SG CYS A 15 -1.169 5.238 -6.434 1.00 0.00 S ATOM 0 H CYS A 15 1.578 6.027 -3.059 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.191 6.603 -3.898 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.667 6.572 -5.626 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.903 4.874 -5.260 1.00 0.00 H new ATOM 270 N VAL A 16 -2.185 4.388 -3.359 1.00 0.00 N ATOM 271 CA VAL A 16 -2.959 3.276 -2.758 1.00 0.00 C ATOM 272 C VAL A 16 -4.119 2.833 -3.668 1.00 0.00 C ATOM 273 O VAL A 16 -4.316 3.420 -4.732 1.00 0.00 O ATOM 274 CB VAL A 16 -3.502 3.672 -1.366 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.412 3.801 -0.301 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.281 4.988 -1.386 1.00 0.00 C ATOM 0 H VAL A 16 -2.773 5.006 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.276 2.434 -2.645 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.166 2.848 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.864 4.081 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.896 2.847 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.698 4.567 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.638 5.215 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.629 5.791 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.132 4.897 -2.061 1.00 0.00 H new ATOM 286 N THR A 17 -4.925 1.838 -3.262 1.00 0.00 N ATOM 287 CA THR A 17 -6.136 1.412 -4.006 1.00 0.00 C ATOM 288 C THR A 17 -7.382 1.410 -3.113 1.00 0.00 C ATOM 289 O THR A 17 -7.414 0.703 -2.105 1.00 0.00 O ATOM 290 CB THR A 17 -5.946 0.016 -4.615 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.639 -0.158 -5.123 1.00 0.00 O ATOM 292 CG2 THR A 17 -6.898 -0.293 -5.754 1.00 0.00 C ATOM 0 H THR A 17 -4.761 1.302 -2.410 1.00 0.00 H new ATOM 0 HA THR A 17 -6.284 2.138 -4.806 1.00 0.00 H new ATOM 0 HB THR A 17 -6.148 -0.661 -3.785 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.128 -0.736 -4.519 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.701 -1.297 -6.131 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.926 -0.235 -5.395 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.753 0.431 -6.556 1.00 0.00 H new ATOM 300 N CYS A 18 -8.403 2.206 -3.462 1.00 0.00 N ATOM 301 CA CYS A 18 -9.679 2.277 -2.744 1.00 0.00 C ATOM 302 C CYS A 18 -10.643 1.194 -3.217 1.00 0.00 C ATOM 303 O CYS A 18 -10.917 1.078 -4.410 1.00 0.00 O ATOM 304 CB CYS A 18 -10.334 3.640 -2.950 1.00 0.00 C ATOM 305 SG CYS A 18 -11.702 4.003 -1.834 1.00 0.00 S ATOM 0 H CYS A 18 -8.362 2.830 -4.268 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.463 2.125 -1.686 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.574 4.413 -2.833 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.696 3.701 -3.976 1.00 0.00 H new ATOM 310 N GLU A 19 -11.197 0.445 -2.274 1.00 0.00 N ATOM 311 CA GLU A 19 -12.193 -0.594 -2.508 1.00 0.00 C ATOM 312 C GLU A 19 -13.296 -0.476 -1.448 1.00 0.00 C ATOM 313 O GLU A 19 -13.051 -0.671 -0.259 1.00 0.00 O ATOM 314 CB GLU A 19 -11.523 -1.978 -2.507 1.00 0.00 C ATOM 315 CG GLU A 19 -12.437 -3.032 -3.142 1.00 0.00 C ATOM 316 CD GLU A 19 -11.869 -4.454 -2.973 1.00 0.00 C ATOM 317 OE1 GLU A 19 -10.996 -4.868 -3.773 1.00 0.00 O ATOM 318 OE2 GLU A 19 -12.321 -5.176 -2.051 1.00 0.00 O ATOM 0 H GLU A 19 -10.957 0.547 -1.288 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.653 -0.467 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.582 -1.931 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.283 -2.269 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.426 -2.978 -2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.562 -2.814 -4.203 1.00 0.00 H new ATOM 325 N ASN A 20 -14.508 -0.117 -1.884 1.00 0.00 N ATOM 326 CA ASN A 20 -15.654 0.204 -1.020 1.00 0.00 C ATOM 327 C ASN A 20 -15.352 1.372 -0.045 1.00 0.00 C ATOM 328 O ASN A 20 -15.495 1.259 1.174 1.00 0.00 O ATOM 329 CB ASN A 20 -16.205 -1.072 -0.338 1.00 0.00 C ATOM 330 CG ASN A 20 -16.886 -2.041 -1.289 1.00 0.00 C ATOM 331 OD1 ASN A 20 -18.096 -2.219 -1.263 1.00 0.00 O ATOM 332 ND2 ASN A 20 -16.154 -2.705 -2.157 1.00 0.00 N ATOM 0 H ASN A 20 -14.727 -0.039 -2.877 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.461 0.582 -1.648 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.384 -1.587 0.161 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.915 -0.779 0.435 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.596 -3.361 -2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.144 -2.564 -2.187 1.00 0.00 H new ATOM 339 N GLN A 21 -14.982 2.528 -0.616 1.00 0.00 N ATOM 340 CA GLN A 21 -14.824 3.841 0.039 1.00 0.00 C ATOM 341 C GLN A 21 -13.712 3.901 1.106 1.00 0.00 C ATOM 342 O GLN A 21 -13.773 4.705 2.039 1.00 0.00 O ATOM 343 CB GLN A 21 -16.171 4.358 0.587 1.00 0.00 C ATOM 344 CG GLN A 21 -17.319 4.349 -0.433 1.00 0.00 C ATOM 345 CD GLN A 21 -18.250 3.154 -0.270 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.845 2.910 0.772 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.446 2.381 -1.309 1.00 0.00 N ATOM 0 H GLN A 21 -14.771 2.577 -1.613 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.486 4.515 -0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.458 3.748 1.444 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -16.034 5.376 0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.896 5.268 -0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.903 4.344 -1.440 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.958 2.570 -2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -19.086 1.590 -1.242 1.00 0.00 H new ATOM 356 N ALA A 22 -12.695 3.045 0.984 1.00 0.00 N ATOM 357 CA ALA A 22 -11.597 2.919 1.925 1.00 0.00 C ATOM 358 C ALA A 22 -10.389 2.263 1.223 1.00 0.00 C ATOM 359 O ALA A 22 -10.561 1.290 0.481 1.00 0.00 O ATOM 360 CB ALA A 22 -12.097 2.087 3.110 1.00 0.00 C ATOM 0 H ALA A 22 -12.617 2.401 0.197 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.266 3.892 2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.294 1.972 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.942 2.591 3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.410 1.104 2.758 1.00 0.00 H new ATOM 366 N PRO A 23 -9.169 2.794 1.394 1.00 0.00 N ATOM 367 CA PRO A 23 -7.953 2.227 0.824 1.00 0.00 C ATOM 368 C PRO A 23 -7.488 0.973 1.578 1.00 0.00 C ATOM 369 O PRO A 23 -6.950 1.046 2.681 1.00 0.00 O ATOM 370 CB PRO A 23 -6.951 3.375 0.843 1.00 0.00 C ATOM 371 CG PRO A 23 -7.361 4.172 2.076 1.00 0.00 C ATOM 372 CD PRO A 23 -8.878 4.051 2.062 1.00 0.00 C ATOM 0 HA PRO A 23 -8.096 1.858 -0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.925 3.014 0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.010 3.977 -0.064 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.930 3.758 2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.037 5.211 2.013 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.280 4.058 3.075 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.332 4.889 1.533 1.00 0.00 H new ATOM 380 N VAL A 24 -7.693 -0.199 0.975 1.00 0.00 N ATOM 381 CA VAL A 24 -7.335 -1.514 1.530 1.00 0.00 C ATOM 382 C VAL A 24 -6.017 -2.040 0.953 1.00 0.00 C ATOM 383 O VAL A 24 -5.745 -3.224 1.095 1.00 0.00 O ATOM 384 CB VAL A 24 -8.479 -2.545 1.348 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.830 -2.027 1.857 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.696 -2.985 -0.104 1.00 0.00 C ATOM 0 H VAL A 24 -8.128 -0.266 0.055 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.187 -1.373 2.601 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.141 -3.395 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.593 -2.790 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.754 -1.797 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.104 -1.125 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.512 -3.706 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.946 -2.117 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.784 -3.446 -0.485 1.00 0.00 H new ATOM 396 N HIS A 25 -5.222 -1.227 0.240 1.00 0.00 N ATOM 397 CA HIS A 25 -4.051 -1.700 -0.525 1.00 0.00 C ATOM 398 C HIS A 25 -3.009 -0.602 -0.743 1.00 0.00 C ATOM 399 O HIS A 25 -3.380 0.534 -1.031 1.00 0.00 O ATOM 400 CB HIS A 25 -4.563 -2.145 -1.897 1.00 0.00 C ATOM 401 CG HIS A 25 -3.532 -2.777 -2.794 1.00 0.00 C ATOM 402 ND1 HIS A 25 -3.186 -2.319 -4.054 1.00 0.00 N ATOM 403 CD2 HIS A 25 -2.763 -3.869 -2.509 1.00 0.00 C ATOM 404 CE1 HIS A 25 -2.209 -3.113 -4.523 1.00 0.00 C ATOM 405 NE2 HIS A 25 -1.934 -4.056 -3.600 1.00 0.00 N ATOM 0 H HIS A 25 -5.371 -0.220 0.176 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.572 -2.503 0.035 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.377 -2.855 -1.750 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.984 -1.279 -2.408 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -2.796 -4.467 -1.611 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.723 -3.012 -5.482 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.230 -4.788 -3.691 1.00 0.00 H new ATOM 414 N PHE A 26 -1.722 -0.944 -0.684 1.00 0.00 N ATOM 415 CA PHE A 26 -0.608 -0.029 -0.957 1.00 0.00 C ATOM 416 C PHE A 26 -0.087 -0.194 -2.396 1.00 0.00 C ATOM 417 O PHE A 26 0.060 -1.320 -2.874 1.00 0.00 O ATOM 418 CB PHE A 26 0.506 -0.291 0.077 1.00 0.00 C ATOM 419 CG PHE A 26 1.703 0.644 0.017 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.517 2.039 -0.075 1.00 0.00 C ATOM 421 CD2 PHE A 26 3.012 0.121 0.083 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.626 2.897 -0.155 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.122 0.980 -0.004 1.00 0.00 C ATOM 424 CZ PHE A 26 3.927 2.364 -0.133 1.00 0.00 C ATOM 0 H PHE A 26 -1.416 -1.886 -0.440 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.953 1.001 -0.867 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.071 -0.229 1.074 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.862 -1.313 -0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.518 2.449 -0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.162 -0.942 0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.480 3.964 -0.233 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.123 0.575 0.028 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.779 3.022 -0.216 1.00 0.00 H new ATOM 434 N VAL A 27 0.203 0.921 -3.081 1.00 0.00 N ATOM 435 CA VAL A 27 0.768 0.932 -4.448 1.00 0.00 C ATOM 436 C VAL A 27 2.213 1.445 -4.469 1.00 0.00 C ATOM 437 O VAL A 27 3.089 0.758 -4.995 1.00 0.00 O ATOM 438 CB VAL A 27 -0.112 1.738 -5.426 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.471 1.770 -6.842 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.525 1.170 -5.549 1.00 0.00 C ATOM 0 H VAL A 27 0.052 1.855 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 27 0.780 -0.104 -4.785 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.142 2.741 -5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.185 2.349 -7.492 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.458 2.231 -6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.555 0.753 -7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.101 1.775 -6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.474 0.144 -5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.010 1.185 -4.573 1.00 0.00 H new ATOM 450 N GLY A 28 2.482 2.647 -3.946 1.00 0.00 N ATOM 451 CA GLY A 28 3.794 3.288 -4.096 1.00 0.00 C ATOM 452 C GLY A 28 3.944 4.633 -3.386 1.00 0.00 C ATOM 453 O GLY A 28 3.071 5.067 -2.636 1.00 0.00 O ATOM 0 H GLY A 28 1.807 3.196 -3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.558 2.608 -3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.991 3.432 -5.158 1.00 0.00 H new ATOM 457 N VAL A 29 5.079 5.291 -3.618 1.00 0.00 N ATOM 458 CA VAL A 29 5.521 6.520 -2.933 1.00 0.00 C ATOM 459 C VAL A 29 5.882 7.592 -3.961 1.00 0.00 C ATOM 460 O VAL A 29 6.690 7.344 -4.858 1.00 0.00 O ATOM 461 CB VAL A 29 6.726 6.226 -2.018 1.00 0.00 C ATOM 462 CG1 VAL A 29 7.133 7.464 -1.222 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.439 5.116 -1.005 1.00 0.00 C ATOM 0 H VAL A 29 5.750 4.974 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 29 4.703 6.888 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 29 7.526 5.912 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.985 7.224 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.407 8.265 -1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.298 7.788 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.321 4.950 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.602 5.409 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.189 4.196 -1.534 1.00 0.00 H new ATOM 473 N GLY A 30 5.255 8.773 -3.873 1.00 0.00 N ATOM 474 CA GLY A 30 5.437 9.867 -4.842 1.00 0.00 C ATOM 475 C GLY A 30 4.967 9.566 -6.278 1.00 0.00 C ATOM 476 O GLY A 30 5.165 10.388 -7.172 1.00 0.00 O ATOM 0 H GLY A 30 4.602 8.999 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.900 10.744 -4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.494 10.130 -4.872 1.00 0.00 H new ATOM 480 N SER A 31 4.369 8.392 -6.507 1.00 0.00 N ATOM 481 CA SER A 31 3.946 7.837 -7.801 1.00 0.00 C ATOM 482 C SER A 31 3.059 6.597 -7.603 1.00 0.00 C ATOM 483 O SER A 31 3.043 6.002 -6.521 1.00 0.00 O ATOM 484 CB SER A 31 5.179 7.455 -8.641 1.00 0.00 C ATOM 485 OG SER A 31 5.984 6.482 -7.990 1.00 0.00 O ATOM 0 H SER A 31 4.151 7.758 -5.739 1.00 0.00 H new ATOM 0 HA SER A 31 3.369 8.600 -8.324 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.854 7.070 -9.607 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.775 8.346 -8.837 1.00 0.00 H new ATOM 0 HG SER A 31 6.755 6.265 -8.554 1.00 0.00 H new ATOM 491 N CYS A 32 2.339 6.184 -8.651 1.00 0.00 N ATOM 492 CA CYS A 32 1.570 4.937 -8.707 1.00 0.00 C ATOM 493 C CYS A 32 2.287 3.897 -9.588 1.00 0.00 C ATOM 494 O CYS A 32 2.315 4.017 -10.816 1.00 0.00 O ATOM 495 CB CYS A 32 0.155 5.233 -9.213 1.00 0.00 C ATOM 496 SG CYS A 32 -0.834 6.309 -8.140 1.00 0.00 S ATOM 0 H CYS A 32 2.273 6.727 -9.512 1.00 0.00 H new ATOM 0 HA CYS A 32 1.493 4.511 -7.707 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.227 5.694 -10.198 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.374 4.288 -9.341 1.00 0.00 H new ATOM 707 N ASP A 50 -8.382 -5.645 5.210 1.00 0.00 N ATOM 708 CA ASP A 50 -9.230 -4.465 5.079 1.00 0.00 C ATOM 709 C ASP A 50 -8.391 -3.192 5.322 1.00 0.00 C ATOM 710 O ASP A 50 -7.240 -3.241 5.755 1.00 0.00 O ATOM 711 CB ASP A 50 -10.391 -4.577 6.095 1.00 0.00 C ATOM 712 CG ASP A 50 -11.700 -3.944 5.590 1.00 0.00 C ATOM 713 OD1 ASP A 50 -11.665 -2.793 5.101 1.00 0.00 O ATOM 714 OD2 ASP A 50 -12.768 -4.593 5.698 1.00 0.00 O ATOM 0 HA ASP A 50 -9.646 -4.402 4.074 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.567 -5.629 6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.097 -4.095 7.027 1.00 0.00 H new ATOM 719 N TRP A 51 -8.997 -2.033 5.103 1.00 0.00 N ATOM 720 CA TRP A 51 -8.512 -0.704 5.488 1.00 0.00 C ATOM 721 C TRP A 51 -8.216 -0.611 6.995 1.00 0.00 C ATOM 722 O TRP A 51 -7.240 0.017 7.415 1.00 0.00 O ATOM 723 CB TRP A 51 -9.559 0.337 5.069 1.00 0.00 C ATOM 724 CG TRP A 51 -9.659 1.540 5.955 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.654 1.779 6.841 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.706 2.631 6.110 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.398 2.964 7.504 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.215 3.537 7.084 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.447 2.930 5.551 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.534 4.708 7.445 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.748 4.096 5.912 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.294 4.991 6.847 1.00 0.00 C ATOM 0 H TRP A 51 -9.896 -1.987 4.623 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.568 -0.511 4.978 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.330 0.670 4.057 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.534 -0.148 5.032 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.512 1.144 7.004 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -11.008 3.366 8.216 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.011 2.252 4.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.957 5.384 8.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.786 4.304 5.468 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.762 5.895 7.106 1.00 0.00 H new ATOM 743 N LEU A 52 -9.049 -1.253 7.817 1.00 0.00 N ATOM 744 CA LEU A 52 -8.949 -1.251 9.278 1.00 0.00 C ATOM 745 C LEU A 52 -7.580 -1.782 9.747 1.00 0.00 C ATOM 746 O LEU A 52 -6.950 -1.188 10.624 1.00 0.00 O ATOM 747 CB LEU A 52 -10.143 -2.053 9.845 1.00 0.00 C ATOM 748 CG LEU A 52 -10.778 -1.523 11.143 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.790 -1.443 12.305 1.00 0.00 C ATOM 750 CD2 LEU A 52 -11.434 -0.151 10.959 1.00 0.00 C ATOM 0 H LEU A 52 -9.835 -1.805 7.474 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.005 -0.233 9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.918 -2.096 9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.812 -3.077 10.021 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.545 -2.257 11.389 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.299 -1.062 13.190 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.393 -2.436 12.514 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.971 -0.773 12.041 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.866 0.176 11.905 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.684 0.570 10.634 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.219 -0.221 10.206 1.00 0.00 H new ATOM 762 N THR A 53 -7.093 -2.856 9.117 1.00 0.00 N ATOM 763 CA THR A 53 -5.770 -3.461 9.352 1.00 0.00 C ATOM 764 C THR A 53 -4.644 -2.853 8.505 1.00 0.00 C ATOM 765 O THR A 53 -3.513 -2.801 8.983 1.00 0.00 O ATOM 766 CB THR A 53 -5.815 -4.984 9.149 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.524 -5.331 7.978 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.535 -5.669 10.312 1.00 0.00 C ATOM 0 H THR A 53 -7.627 -3.349 8.401 1.00 0.00 H new ATOM 0 HA THR A 53 -5.532 -3.234 10.391 1.00 0.00 H new ATOM 0 HB THR A 53 -4.778 -5.311 9.080 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.533 -6.306 7.878 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.554 -6.746 10.145 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.009 -5.455 11.242 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.556 -5.295 10.379 1.00 0.00 H new ATOM 776 N PHE A 54 -4.926 -2.304 7.316 1.00 0.00 N ATOM 777 CA PHE A 54 -3.977 -1.572 6.452 1.00 0.00 C ATOM 778 C PHE A 54 -3.212 -0.476 7.205 1.00 0.00 C ATOM 779 O PHE A 54 -1.993 -0.355 7.061 1.00 0.00 O ATOM 780 CB PHE A 54 -4.752 -0.976 5.263 1.00 0.00 C ATOM 781 CG PHE A 54 -4.004 0.033 4.414 1.00 0.00 C ATOM 782 CD1 PHE A 54 -3.263 -0.386 3.297 1.00 0.00 C ATOM 783 CD2 PHE A 54 -4.077 1.405 4.729 1.00 0.00 C ATOM 784 CE1 PHE A 54 -2.575 0.562 2.519 1.00 0.00 C ATOM 785 CE2 PHE A 54 -3.397 2.350 3.943 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.634 1.926 2.846 1.00 0.00 C ATOM 0 H PHE A 54 -5.860 -2.357 6.909 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.224 -2.277 6.099 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.073 -1.794 4.619 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.654 -0.499 5.647 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.222 -1.433 3.036 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.658 1.731 5.579 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.998 0.239 1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.462 3.401 4.183 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.092 2.648 2.253 1.00 0.00 H new ATOM 796 N GLN A 55 -3.922 0.279 8.048 1.00 0.00 N ATOM 797 CA GLN A 55 -3.347 1.279 8.949 1.00 0.00 C ATOM 798 C GLN A 55 -2.292 0.645 9.864 1.00 0.00 C ATOM 799 O GLN A 55 -1.113 0.981 9.779 1.00 0.00 O ATOM 800 CB GLN A 55 -4.460 1.924 9.783 1.00 0.00 C ATOM 801 CG GLN A 55 -5.389 2.802 8.940 1.00 0.00 C ATOM 802 CD GLN A 55 -6.733 2.945 9.634 1.00 0.00 C ATOM 803 OE1 GLN A 55 -6.961 3.806 10.472 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.653 2.056 9.346 1.00 0.00 N ATOM 0 H GLN A 55 -4.937 0.209 8.124 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.857 2.048 8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.045 1.143 10.269 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.014 2.527 10.574 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.940 3.784 8.791 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.525 2.361 7.953 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.466 1.337 8.648 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.556 2.084 9.820 1.00 0.00 H new ATOM 813 N LYS A 56 -2.702 -0.312 10.708 1.00 0.00 N ATOM 814 CA LYS A 56 -1.783 -0.980 11.661 1.00 0.00 C ATOM 815 C LYS A 56 -0.619 -1.718 10.974 1.00 0.00 C ATOM 816 O LYS A 56 0.425 -1.913 11.597 1.00 0.00 O ATOM 817 CB LYS A 56 -2.542 -1.935 12.602 1.00 0.00 C ATOM 818 CG LYS A 56 -3.633 -1.233 13.437 1.00 0.00 C ATOM 819 CD LYS A 56 -4.979 -1.969 13.336 1.00 0.00 C ATOM 820 CE LYS A 56 -6.133 -1.189 13.982 1.00 0.00 C ATOM 821 NZ LYS A 56 -6.492 0.026 13.202 1.00 0.00 N ATOM 0 H LYS A 56 -3.664 -0.646 10.756 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.342 -0.178 12.252 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.001 -2.727 12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.830 -2.412 13.276 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.320 -1.185 14.480 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.752 -0.206 13.093 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.211 -2.150 12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.892 -2.944 13.816 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.006 -1.837 14.066 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.852 -0.900 14.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.348 0.457 13.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.709 0.709 13.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.670 -0.237 12.212 1.00 0.00 H new ATOM 835 N LYS A 57 -0.772 -2.099 9.697 1.00 0.00 N ATOM 836 CA LYS A 57 0.248 -2.783 8.884 1.00 0.00 C ATOM 837 C LYS A 57 1.498 -1.921 8.630 1.00 0.00 C ATOM 838 O LYS A 57 2.607 -2.400 8.872 1.00 0.00 O ATOM 839 CB LYS A 57 -0.378 -3.295 7.568 1.00 0.00 C ATOM 840 CG LYS A 57 0.373 -4.509 6.998 1.00 0.00 C ATOM 841 CD LYS A 57 -0.201 -5.827 7.552 1.00 0.00 C ATOM 842 CE LYS A 57 0.700 -7.036 7.264 1.00 0.00 C ATOM 843 NZ LYS A 57 1.808 -7.139 8.251 1.00 0.00 N ATOM 0 H LYS A 57 -1.638 -1.934 9.183 1.00 0.00 H new ATOM 0 HA LYS A 57 0.601 -3.639 9.459 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.419 -3.565 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.377 -2.492 6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.302 -4.507 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.431 -4.436 7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.341 -5.733 8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.185 -6.001 7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.104 -7.949 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.114 -6.951 6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.397 -7.966 8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.390 -6.278 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.413 -7.244 9.207 1.00 0.00 H new ATOM 857 N HIS A 58 1.354 -0.683 8.124 1.00 0.00 N ATOM 858 CA HIS A 58 2.498 0.182 7.753 1.00 0.00 C ATOM 859 C HIS A 58 2.250 1.703 7.889 1.00 0.00 C ATOM 860 O HIS A 58 2.915 2.510 7.244 1.00 0.00 O ATOM 861 CB HIS A 58 2.968 -0.198 6.337 1.00 0.00 C ATOM 862 CG HIS A 58 2.057 0.326 5.258 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.319 1.442 4.492 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.789 -0.105 4.981 1.00 0.00 C ATOM 865 CE1 HIS A 58 1.211 1.694 3.767 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.268 0.771 4.049 1.00 0.00 N ATOM 0 H HIS A 58 0.445 -0.251 7.959 1.00 0.00 H new ATOM 0 HA HIS A 58 3.285 -0.009 8.482 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.974 0.190 6.177 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.029 -1.283 6.259 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.292 -0.963 5.408 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.096 2.509 3.068 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.667 0.728 3.644 1.00 0.00 H new ATOM 875 N ILE A 59 1.296 2.124 8.710 1.00 0.00 N ATOM 876 CA ILE A 59 0.971 3.542 8.980 1.00 0.00 C ATOM 877 C ILE A 59 1.017 3.792 10.492 1.00 0.00 C ATOM 878 O ILE A 59 0.761 2.890 11.293 1.00 0.00 O ATOM 879 CB ILE A 59 -0.387 3.946 8.343 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.389 3.575 6.838 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.710 5.440 8.554 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.421 4.299 5.965 1.00 0.00 C ATOM 0 H ILE A 59 0.702 1.477 9.228 1.00 0.00 H new ATOM 0 HA ILE A 59 1.718 4.182 8.509 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.176 3.388 8.847 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.603 3.776 6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.558 2.502 6.750 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.669 5.674 8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.761 5.654 9.622 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.071 6.049 8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.328 3.959 4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.424 4.080 6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.245 5.374 6.010 1.00 0.00 H new ATOM 894 N THR A 60 1.359 5.016 10.895 1.00 0.00 N ATOM 895 CA THR A 60 1.377 5.411 12.313 1.00 0.00 C ATOM 896 C THR A 60 0.967 6.867 12.552 1.00 0.00 C ATOM 897 O THR A 60 1.175 7.743 11.711 1.00 0.00 O ATOM 898 CB THR A 60 2.750 5.113 12.934 1.00 0.00 C ATOM 899 OG1 THR A 60 2.691 5.397 14.312 1.00 0.00 O ATOM 900 CG2 THR A 60 3.906 5.911 12.321 1.00 0.00 C ATOM 0 H THR A 60 1.631 5.762 10.255 1.00 0.00 H new ATOM 0 HA THR A 60 0.618 4.807 12.811 1.00 0.00 H new ATOM 0 HB THR A 60 2.958 4.062 12.734 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.545 5.778 14.604 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.838 5.640 12.817 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.981 5.684 11.258 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.722 6.977 12.452 1.00 0.00 H new ATOM 908 N ASN A 61 0.422 7.130 13.744 1.00 0.00 N ATOM 909 CA ASN A 61 0.165 8.455 14.300 1.00 0.00 C ATOM 910 C ASN A 61 1.403 9.066 15.003 1.00 0.00 C ATOM 911 O ASN A 61 1.334 10.194 15.492 1.00 0.00 O ATOM 912 CB ASN A 61 -1.048 8.337 15.242 1.00 0.00 C ATOM 913 CG ASN A 61 -0.803 7.445 16.451 1.00 0.00 C ATOM 914 OD1 ASN A 61 -0.186 7.836 17.431 1.00 0.00 O ATOM 915 ND2 ASN A 61 -1.272 6.217 16.422 1.00 0.00 N ATOM 0 H ASN A 61 0.135 6.383 14.377 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.057 9.152 13.492 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.326 9.333 15.587 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.896 7.946 14.680 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.120 5.594 17.216 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.787 5.887 15.606 1.00 0.00 H new ATOM 922 N THR A 62 2.525 8.337 15.063 1.00 0.00 N ATOM 923 CA THR A 62 3.817 8.765 15.630 1.00 0.00 C ATOM 924 C THR A 62 4.959 7.843 15.169 1.00 0.00 C ATOM 925 O THR A 62 4.970 6.647 15.471 1.00 0.00 O ATOM 926 CB THR A 62 3.736 8.842 17.172 1.00 0.00 C ATOM 927 OG1 THR A 62 4.968 9.283 17.707 1.00 0.00 O ATOM 928 CG2 THR A 62 3.352 7.540 17.886 1.00 0.00 C ATOM 0 H THR A 62 2.561 7.384 14.700 1.00 0.00 H new ATOM 0 HA THR A 62 4.039 9.765 15.257 1.00 0.00 H new ATOM 0 HB THR A 62 2.926 9.548 17.357 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.903 9.329 18.684 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.325 7.710 18.962 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.369 7.215 17.546 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.088 6.769 17.658 1.00 0.00 H new ATOM 936 N ARG A 63 5.923 8.354 14.386 1.00 0.00 N ATOM 937 CA ARG A 63 7.126 7.588 14.005 1.00 0.00 C ATOM 938 C ARG A 63 8.006 7.313 15.234 1.00 0.00 C ATOM 939 O ARG A 63 8.704 8.204 15.720 1.00 0.00 O ATOM 940 CB ARG A 63 7.915 8.302 12.892 1.00 0.00 C ATOM 941 CG ARG A 63 9.071 7.416 12.404 1.00 0.00 C ATOM 942 CD ARG A 63 9.980 8.116 11.394 1.00 0.00 C ATOM 943 NE ARG A 63 10.884 9.094 12.038 1.00 0.00 N ATOM 944 CZ ARG A 63 10.754 10.405 12.141 1.00 0.00 C ATOM 945 NH1 ARG A 63 9.723 11.044 11.666 1.00 0.00 N ATOM 946 NH2 ARG A 63 11.670 11.111 12.739 1.00 0.00 N ATOM 0 H ARG A 63 5.894 9.298 14.002 1.00 0.00 H new ATOM 0 HA ARG A 63 6.803 6.627 13.604 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.251 8.536 12.060 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.306 9.249 13.264 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.666 7.101 13.261 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.662 6.513 11.951 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.573 7.371 10.864 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.368 8.625 10.649 1.00 0.00 H new ATOM 0 HE ARG A 63 11.725 8.702 12.462 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.978 10.531 11.194 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.660 12.057 11.766 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.493 10.652 13.131 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.565 12.123 12.816 1.00 0.00 H new ATOM 960 N ASP A 64 7.994 6.067 15.706 1.00 0.00 N ATOM 961 CA ASP A 64 8.779 5.585 16.857 1.00 0.00 C ATOM 962 C ASP A 64 9.840 4.524 16.482 1.00 0.00 C ATOM 963 O ASP A 64 10.575 4.018 17.335 1.00 0.00 O ATOM 964 CB ASP A 64 7.793 5.089 17.929 1.00 0.00 C ATOM 965 CG ASP A 64 8.451 4.847 19.300 1.00 0.00 C ATOM 966 OD1 ASP A 64 9.079 5.785 19.849 1.00 0.00 O ATOM 967 OD2 ASP A 64 8.289 3.736 19.864 1.00 0.00 O ATOM 0 H ASP A 64 7.420 5.335 15.288 1.00 0.00 H new ATOM 0 HA ASP A 64 9.370 6.411 17.253 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.993 5.820 18.042 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.332 4.162 17.587 1.00 0.00 H new ATOM 972 N VAL A 65 9.945 4.190 15.191 1.00 0.00 N ATOM 973 CA VAL A 65 10.923 3.233 14.647 1.00 0.00 C ATOM 974 C VAL A 65 12.352 3.802 14.640 1.00 0.00 C ATOM 975 O VAL A 65 12.577 4.975 14.342 1.00 0.00 O ATOM 976 CB VAL A 65 10.485 2.748 13.247 1.00 0.00 C ATOM 977 CG1 VAL A 65 10.268 3.880 12.234 1.00 0.00 C ATOM 978 CG2 VAL A 65 11.480 1.748 12.652 1.00 0.00 C ATOM 0 H VAL A 65 9.337 4.587 14.474 1.00 0.00 H new ATOM 0 HA VAL A 65 10.946 2.368 15.310 1.00 0.00 H new ATOM 0 HB VAL A 65 9.524 2.264 13.420 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.962 3.458 11.277 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.491 4.551 12.599 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.197 4.436 12.105 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.134 1.432 11.668 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.458 2.220 12.559 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.557 0.879 13.305 1.00 0.00 H new ATOM 988 N ASP A 66 13.329 2.933 14.919 1.00 0.00 N ATOM 989 CA ASP A 66 14.778 3.181 14.787 1.00 0.00 C ATOM 990 C ASP A 66 15.499 2.047 14.014 1.00 0.00 C ATOM 991 O ASP A 66 16.725 1.946 14.017 1.00 0.00 O ATOM 992 CB ASP A 66 15.357 3.403 16.194 1.00 0.00 C ATOM 993 CG ASP A 66 16.765 4.030 16.184 1.00 0.00 C ATOM 994 OD1 ASP A 66 16.969 5.063 15.499 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.658 3.532 16.911 1.00 0.00 O ATOM 0 H ASP A 66 13.127 1.993 15.259 1.00 0.00 H new ATOM 0 HA ASP A 66 14.944 4.076 14.187 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.684 4.048 16.758 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.396 2.448 16.718 1.00 0.00 H new ATOM 1000 N CYS A 67 14.719 1.171 13.362 1.00 0.00 N ATOM 1001 CA CYS A 67 15.128 -0.060 12.664 1.00 0.00 C ATOM 1002 C CYS A 67 16.000 -0.985 13.546 1.00 0.00 C ATOM 1003 O CYS A 67 16.965 -1.607 13.098 1.00 0.00 O ATOM 1004 CB CYS A 67 15.702 0.291 11.281 1.00 0.00 C ATOM 1005 SG CYS A 67 14.736 1.555 10.397 1.00 0.00 S ATOM 0 H CYS A 67 13.711 1.314 13.304 1.00 0.00 H new ATOM 0 HA CYS A 67 14.252 -0.679 12.472 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.726 0.644 11.400 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.745 -0.613 10.674 1.00 0.00 H new ATOM 1010 N ASP A 68 15.636 -1.047 14.832 1.00 0.00 N ATOM 1011 CA ASP A 68 16.378 -1.642 15.949 1.00 0.00 C ATOM 1012 C ASP A 68 15.449 -2.237 17.024 1.00 0.00 C ATOM 1013 O ASP A 68 15.687 -3.348 17.496 1.00 0.00 O ATOM 1014 CB ASP A 68 17.291 -0.565 16.561 1.00 0.00 C ATOM 1015 CG ASP A 68 17.969 -1.030 17.861 1.00 0.00 C ATOM 1016 OD1 ASP A 68 18.801 -1.964 17.799 1.00 0.00 O ATOM 1017 OD2 ASP A 68 17.647 -0.489 18.943 1.00 0.00 O ATOM 0 H ASP A 68 14.748 -0.653 15.142 1.00 0.00 H new ATOM 0 HA ASP A 68 16.972 -2.471 15.564 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.056 -0.288 15.836 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.704 0.331 16.763 1.00 0.00 H new ATOM 1022 N ASN A 69 14.372 -1.526 17.381 1.00 0.00 N ATOM 1023 CA ASN A 69 13.399 -1.923 18.407 1.00 0.00 C ATOM 1024 C ASN A 69 12.193 -2.690 17.839 1.00 0.00 C ATOM 1025 O ASN A 69 11.388 -3.225 18.601 1.00 0.00 O ATOM 1026 CB ASN A 69 12.957 -0.707 19.230 1.00 0.00 C ATOM 1027 CG ASN A 69 12.248 0.345 18.404 1.00 0.00 C ATOM 1028 OD1 ASN A 69 11.086 0.235 18.048 1.00 0.00 O ATOM 1029 ND2 ASN A 69 12.959 1.385 18.052 1.00 0.00 N ATOM 0 H ASN A 69 14.146 -0.630 16.950 1.00 0.00 H new ATOM 0 HA ASN A 69 13.909 -2.625 19.067 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.295 -1.039 20.030 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.831 -0.260 19.704 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.543 2.115 17.474 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.929 1.466 18.356 1.00 0.00 H new ATOM 1036 N ILE A 70 12.083 -2.802 16.507 1.00 0.00 N ATOM 1037 CA ILE A 70 10.974 -3.479 15.816 1.00 0.00 C ATOM 1038 C ILE A 70 10.886 -4.982 16.125 1.00 0.00 C ATOM 1039 O ILE A 70 9.866 -5.610 15.863 1.00 0.00 O ATOM 1040 CB ILE A 70 11.018 -3.198 14.300 1.00 0.00 C ATOM 1041 CG1 ILE A 70 12.215 -3.902 13.620 1.00 0.00 C ATOM 1042 CG2 ILE A 70 11.003 -1.672 14.081 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.488 -3.437 12.191 1.00 0.00 C ATOM 0 H ILE A 70 12.777 -2.417 15.866 1.00 0.00 H new ATOM 0 HA ILE A 70 10.053 -3.052 16.213 1.00 0.00 H new ATOM 0 HB ILE A 70 10.136 -3.620 13.819 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.109 -3.735 14.221 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.033 -4.977 13.611 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.034 -1.457 13.013 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.093 -1.252 14.509 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.872 -1.226 14.566 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.343 -3.981 11.789 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.612 -3.629 11.572 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.705 -2.369 12.191 1.00 0.00 H new ATOM 1055 N MET A 71 11.915 -5.536 16.776 1.00 0.00 N ATOM 1056 CA MET A 71 11.881 -6.850 17.445 1.00 0.00 C ATOM 1057 C MET A 71 10.770 -6.988 18.510 1.00 0.00 C ATOM 1058 O MET A 71 10.390 -8.108 18.856 1.00 0.00 O ATOM 1059 CB MET A 71 13.257 -7.156 18.064 1.00 0.00 C ATOM 1060 CG MET A 71 13.701 -6.163 19.147 1.00 0.00 C ATOM 1061 SD MET A 71 15.386 -6.455 19.753 1.00 0.00 S ATOM 1062 CE MET A 71 15.483 -5.136 20.993 1.00 0.00 C ATOM 0 H MET A 71 12.821 -5.074 16.857 1.00 0.00 H new ATOM 0 HA MET A 71 11.641 -7.580 16.672 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.234 -8.157 18.494 1.00 0.00 H new ATOM 0 HB3 MET A 71 14.004 -7.167 17.271 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.638 -5.151 18.748 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.007 -6.219 19.986 1.00 0.00 H new ATOM 0 HE1 MET A 71 16.460 -5.161 21.475 1.00 0.00 H new ATOM 0 HE2 MET A 71 15.342 -4.170 20.508 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.705 -5.283 21.742 1.00 0.00 H new ATOM 1072 N SER A 72 10.238 -5.867 19.015 1.00 0.00 N ATOM 1073 CA SER A 72 9.193 -5.784 20.047 1.00 0.00 C ATOM 1074 C SER A 72 7.868 -5.176 19.543 1.00 0.00 C ATOM 1075 O SER A 72 6.895 -5.112 20.301 1.00 0.00 O ATOM 1076 CB SER A 72 9.750 -4.990 21.238 1.00 0.00 C ATOM 1077 OG SER A 72 8.983 -5.199 22.415 1.00 0.00 O ATOM 0 H SER A 72 10.540 -4.945 18.699 1.00 0.00 H new ATOM 0 HA SER A 72 8.938 -6.800 20.348 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.783 -5.285 21.420 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.760 -3.928 20.994 1.00 0.00 H new ATOM 0 HG SER A 72 8.040 -5.312 22.175 1.00 0.00 H new ATOM 1083 N THR A 73 7.793 -4.746 18.277 1.00 0.00 N ATOM 1084 CA THR A 73 6.558 -4.284 17.607 1.00 0.00 C ATOM 1085 C THR A 73 5.951 -5.402 16.746 1.00 0.00 C ATOM 1086 O THR A 73 6.431 -6.538 16.753 1.00 0.00 O ATOM 1087 CB THR A 73 6.800 -3.020 16.759 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.568 -3.330 15.620 1.00 0.00 O ATOM 1089 CG2 THR A 73 7.515 -1.901 17.518 1.00 0.00 C ATOM 0 H THR A 73 8.610 -4.707 17.668 1.00 0.00 H new ATOM 0 HA THR A 73 5.847 -4.022 18.390 1.00 0.00 H new ATOM 0 HB THR A 73 5.808 -2.662 16.484 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.184 -4.062 15.830 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.651 -1.044 16.859 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.916 -1.605 18.379 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.488 -2.256 17.858 1.00 0.00 H new ATOM 1097 N ASN A 74 4.890 -5.110 15.981 1.00 0.00 N ATOM 1098 CA ASN A 74 4.302 -6.052 15.013 1.00 0.00 C ATOM 1099 C ASN A 74 5.255 -6.426 13.856 1.00 0.00 C ATOM 1100 O ASN A 74 5.034 -7.421 13.163 1.00 0.00 O ATOM 1101 CB ASN A 74 3.006 -5.451 14.435 1.00 0.00 C ATOM 1102 CG ASN A 74 2.011 -5.002 15.490 1.00 0.00 C ATOM 1103 OD1 ASN A 74 1.425 -5.798 16.213 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.791 -3.713 15.613 1.00 0.00 N ATOM 0 H ASN A 74 4.412 -4.210 16.015 1.00 0.00 H new ATOM 0 HA ASN A 74 4.097 -6.973 15.559 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.262 -4.599 13.805 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.529 -6.191 13.792 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.131 -3.373 16.312 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.280 -3.052 15.010 1.00 0.00 H new ATOM 1111 N LEU A 75 6.307 -5.632 13.626 1.00 0.00 N ATOM 1112 CA LEU A 75 7.146 -5.643 12.421 1.00 0.00 C ATOM 1113 C LEU A 75 8.419 -6.515 12.540 1.00 0.00 C ATOM 1114 O LEU A 75 9.303 -6.436 11.683 1.00 0.00 O ATOM 1115 CB LEU A 75 7.465 -4.180 12.040 1.00 0.00 C ATOM 1116 CG LEU A 75 6.290 -3.247 11.666 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.208 -3.932 10.834 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.643 -2.549 12.862 1.00 0.00 C ATOM 0 H LEU A 75 6.611 -4.933 14.304 1.00 0.00 H new ATOM 0 HA LEU A 75 6.583 -6.124 11.621 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.996 -3.727 12.877 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.156 -4.199 11.197 1.00 0.00 H new ATOM 0 HG LEU A 75 6.767 -2.484 11.051 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.416 -3.218 10.609 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.642 -4.298 9.904 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.793 -4.769 11.395 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.828 -1.913 12.515 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.252 -3.297 13.552 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.387 -1.938 13.373 1.00 0.00 H new ATOM 1130 N PHE A 76 8.495 -7.375 13.560 1.00 0.00 N ATOM 1131 CA PHE A 76 9.611 -8.259 13.932 1.00 0.00 C ATOM 1132 C PHE A 76 9.917 -9.377 12.921 1.00 0.00 C ATOM 1133 O PHE A 76 10.885 -10.119 13.091 1.00 0.00 O ATOM 1134 CB PHE A 76 9.317 -8.877 15.312 1.00 0.00 C ATOM 1135 CG PHE A 76 8.260 -9.971 15.328 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.891 -9.643 15.349 1.00 0.00 C ATOM 1137 CD2 PHE A 76 8.647 -11.325 15.325 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.917 -10.656 15.369 1.00 0.00 C ATOM 1139 CE2 PHE A 76 7.673 -12.341 15.347 1.00 0.00 C ATOM 1140 CZ PHE A 76 6.307 -12.006 15.369 1.00 0.00 C ATOM 0 H PHE A 76 7.711 -7.482 14.204 1.00 0.00 H new ATOM 0 HA PHE A 76 10.503 -7.632 13.949 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.245 -9.286 15.712 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.002 -8.082 15.987 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.587 -8.607 15.350 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.695 -11.585 15.306 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.869 -10.397 15.384 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.975 -13.378 15.347 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.559 -12.785 15.386 1.00 0.00 H new ATOM 1150 N HIS A 77 9.108 -9.500 11.861 1.00 0.00 N ATOM 1151 CA HIS A 77 9.148 -10.563 10.844 1.00 0.00 C ATOM 1152 C HIS A 77 10.450 -10.625 10.007 1.00 0.00 C ATOM 1153 O HIS A 77 10.600 -11.509 9.165 1.00 0.00 O ATOM 1154 CB HIS A 77 7.891 -10.408 9.963 1.00 0.00 C ATOM 1155 CG HIS A 77 7.581 -11.617 9.117 1.00 0.00 C ATOM 1156 ND1 HIS A 77 7.051 -12.810 9.575 1.00 0.00 N ATOM 1157 CD2 HIS A 77 7.795 -11.730 7.772 1.00 0.00 C ATOM 1158 CE1 HIS A 77 6.954 -13.642 8.517 1.00 0.00 C ATOM 1159 NE2 HIS A 77 7.397 -13.006 7.411 1.00 0.00 N ATOM 0 H HIS A 77 8.366 -8.824 11.678 1.00 0.00 H new ATOM 0 HA HIS A 77 9.150 -11.523 11.360 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.035 -10.197 10.604 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.022 -9.545 9.310 1.00 0.00 H new ATOM 0 HD2 HIS A 77 8.197 -10.971 7.117 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.581 -14.655 8.550 1.00 0.00 H new ATOM 0 HE2 HIS A 77 7.432 -13.399 6.470 1.00 0.00 H new ATOM 1168 N CYS A 78 11.394 -9.697 10.220 1.00 0.00 N ATOM 1169 CA CYS A 78 12.659 -9.557 9.467 1.00 0.00 C ATOM 1170 C CYS A 78 12.456 -9.375 7.942 1.00 0.00 C ATOM 1171 O CYS A 78 13.249 -9.840 7.117 1.00 0.00 O ATOM 1172 CB CYS A 78 13.601 -10.721 9.815 1.00 0.00 C ATOM 1173 SG CYS A 78 15.361 -10.426 9.473 1.00 0.00 S ATOM 0 H CYS A 78 11.298 -8.992 10.951 1.00 0.00 H new ATOM 0 HA CYS A 78 13.132 -8.627 9.782 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.488 -10.954 10.874 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.283 -11.603 9.259 1.00 0.00 H new ATOM 1178 N LYS A 79 11.350 -8.723 7.562 1.00 0.00 N ATOM 1179 CA LYS A 79 10.973 -8.435 6.166 1.00 0.00 C ATOM 1180 C LYS A 79 11.998 -7.533 5.458 1.00 0.00 C ATOM 1181 O LYS A 79 12.701 -6.754 6.098 1.00 0.00 O ATOM 1182 CB LYS A 79 9.523 -7.907 6.104 1.00 0.00 C ATOM 1183 CG LYS A 79 9.130 -6.844 7.147 1.00 0.00 C ATOM 1184 CD LYS A 79 9.777 -5.470 6.919 1.00 0.00 C ATOM 1185 CE LYS A 79 10.680 -4.977 8.059 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.906 -4.647 9.286 1.00 0.00 N ATOM 0 H LYS A 79 10.670 -8.369 8.235 1.00 0.00 H new ATOM 0 HA LYS A 79 10.994 -9.366 5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.355 -7.489 5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.847 -8.755 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.046 -6.728 7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.407 -7.204 8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.365 -5.511 6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.987 -4.736 6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.419 -5.744 8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.229 -4.095 7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.355 -3.846 9.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.932 -4.392 9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.889 -5.473 9.918 1.00 0.00 H new ATOM 1200 N ASP A 80 12.057 -7.613 4.129 1.00 0.00 N ATOM 1201 CA ASP A 80 13.096 -6.975 3.296 1.00 0.00 C ATOM 1202 C ASP A 80 13.085 -5.437 3.339 1.00 0.00 C ATOM 1203 O ASP A 80 14.138 -4.807 3.227 1.00 0.00 O ATOM 1204 CB ASP A 80 12.947 -7.446 1.842 1.00 0.00 C ATOM 1205 CG ASP A 80 13.183 -8.957 1.693 1.00 0.00 C ATOM 1206 OD1 ASP A 80 14.351 -9.375 1.505 1.00 0.00 O ATOM 1207 OD2 ASP A 80 12.197 -9.731 1.762 1.00 0.00 O ATOM 0 H ASP A 80 11.371 -8.133 3.582 1.00 0.00 H new ATOM 0 HA ASP A 80 14.053 -7.284 3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.948 -7.199 1.483 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.655 -6.906 1.213 1.00 0.00 H new ATOM 1212 N LYS A 81 11.907 -4.832 3.525 1.00 0.00 N ATOM 1213 CA LYS A 81 11.707 -3.418 3.881 1.00 0.00 C ATOM 1214 C LYS A 81 10.285 -3.165 4.386 1.00 0.00 C ATOM 1215 O LYS A 81 9.388 -3.970 4.134 1.00 0.00 O ATOM 1216 CB LYS A 81 12.020 -2.491 2.683 1.00 0.00 C ATOM 1217 CG LYS A 81 11.192 -2.797 1.430 1.00 0.00 C ATOM 1218 CD LYS A 81 11.324 -1.683 0.376 1.00 0.00 C ATOM 1219 CE LYS A 81 10.172 -1.671 -0.638 1.00 0.00 C ATOM 1220 NZ LYS A 81 10.144 -2.892 -1.485 1.00 0.00 N ATOM 0 H LYS A 81 11.025 -5.335 3.428 1.00 0.00 H new ATOM 0 HA LYS A 81 12.402 -3.187 4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.844 -1.457 2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.079 -2.576 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.517 -3.745 1.001 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.144 -2.915 1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.366 -0.718 0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.267 -1.805 -0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.225 -1.581 -0.106 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.264 -0.792 -1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.348 -2.834 -2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.035 -2.967 -2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.029 -3.731 -0.881 1.00 0.00 H new ATOM 1234 N ASN A 82 10.066 -2.025 5.037 1.00 0.00 N ATOM 1235 CA ASN A 82 8.727 -1.460 5.239 1.00 0.00 C ATOM 1236 C ASN A 82 8.700 0.005 4.795 1.00 0.00 C ATOM 1237 O ASN A 82 9.746 0.660 4.769 1.00 0.00 O ATOM 1238 CB ASN A 82 8.308 -1.615 6.716 1.00 0.00 C ATOM 1239 CG ASN A 82 6.799 -1.622 6.928 1.00 0.00 C ATOM 1240 OD1 ASN A 82 6.000 -1.583 6.005 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.367 -1.708 8.165 1.00 0.00 N ATOM 0 H ASN A 82 10.814 -1.462 5.443 1.00 0.00 H new ATOM 0 HA ASN A 82 8.007 -2.004 4.628 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.725 -2.543 7.107 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.743 -0.801 7.295 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.365 -1.742 8.354 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.033 -1.741 8.937 1.00 0.00 H new ATOM 1248 N THR A 83 7.504 0.527 4.513 1.00 0.00 N ATOM 1249 CA THR A 83 7.259 1.939 4.199 1.00 0.00 C ATOM 1250 C THR A 83 6.252 2.516 5.190 1.00 0.00 C ATOM 1251 O THR A 83 5.038 2.393 4.998 1.00 0.00 O ATOM 1252 CB THR A 83 6.777 2.114 2.753 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.719 1.589 1.842 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.581 3.590 2.424 1.00 0.00 C ATOM 0 H THR A 83 6.654 -0.036 4.496 1.00 0.00 H new ATOM 0 HA THR A 83 8.197 2.486 4.291 1.00 0.00 H new ATOM 0 HB THR A 83 5.831 1.580 2.663 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.592 2.007 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.239 3.691 1.394 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.837 4.017 3.097 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.526 4.119 2.546 1.00 0.00 H new ATOM 1262 N PHE A 84 6.755 3.122 6.267 1.00 0.00 N ATOM 1263 CA PHE A 84 5.935 3.787 7.276 1.00 0.00 C ATOM 1264 C PHE A 84 5.476 5.164 6.793 1.00 0.00 C ATOM 1265 O PHE A 84 6.286 6.005 6.390 1.00 0.00 O ATOM 1266 CB PHE A 84 6.663 3.915 8.617 1.00 0.00 C ATOM 1267 CG PHE A 84 7.073 2.608 9.255 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.098 1.720 9.749 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.439 2.299 9.381 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.494 0.540 10.404 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.828 1.085 9.974 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.860 0.219 10.516 1.00 0.00 C ATOM 0 H PHE A 84 7.755 3.164 6.464 1.00 0.00 H new ATOM 0 HA PHE A 84 5.058 3.158 7.432 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.555 4.525 8.471 1.00 0.00 H new ATOM 0 HB3 PHE A 84 6.019 4.453 9.312 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.049 1.944 9.625 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.187 2.992 9.024 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.749 -0.121 10.822 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.873 0.816 10.014 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.164 -0.689 11.016 1.00 0.00 H new ATOM 1282 N ILE A 85 4.169 5.400 6.873 1.00 0.00 N ATOM 1283 CA ILE A 85 3.521 6.686 6.603 1.00 0.00 C ATOM 1284 C ILE A 85 3.165 7.314 7.955 1.00 0.00 C ATOM 1285 O ILE A 85 2.317 6.788 8.678 1.00 0.00 O ATOM 1286 CB ILE A 85 2.281 6.460 5.707 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.685 5.885 4.328 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.463 7.748 5.521 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.486 5.339 3.547 1.00 0.00 C ATOM 0 H ILE A 85 3.504 4.674 7.138 1.00 0.00 H new ATOM 0 HA ILE A 85 4.178 7.368 6.062 1.00 0.00 H new ATOM 0 HB ILE A 85 1.651 5.733 6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.172 6.664 3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.416 5.089 4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.602 7.543 4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.120 8.105 6.492 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.086 8.510 5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.824 4.948 2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.013 4.540 4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.766 6.140 3.379 1.00 0.00 H new ATOM 1301 N TYR A 86 3.823 8.414 8.330 1.00 0.00 N ATOM 1302 CA TYR A 86 3.405 9.225 9.475 1.00 0.00 C ATOM 1303 C TYR A 86 2.249 10.153 9.059 1.00 0.00 C ATOM 1304 O TYR A 86 2.469 11.270 8.580 1.00 0.00 O ATOM 1305 CB TYR A 86 4.620 9.951 10.067 1.00 0.00 C ATOM 1306 CG TYR A 86 4.391 10.862 11.267 1.00 0.00 C ATOM 1307 CD1 TYR A 86 3.218 10.792 12.051 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.385 11.807 11.596 1.00 0.00 C ATOM 1309 CE1 TYR A 86 3.025 11.696 13.113 1.00 0.00 C ATOM 1310 CE2 TYR A 86 5.203 12.698 12.673 1.00 0.00 C ATOM 1311 CZ TYR A 86 4.014 12.650 13.430 1.00 0.00 C ATOM 1312 OH TYR A 86 3.812 13.516 14.462 1.00 0.00 O ATOM 0 H TYR A 86 4.653 8.765 7.853 1.00 0.00 H new ATOM 0 HA TYR A 86 3.013 8.598 10.276 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.353 9.197 10.355 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.071 10.548 9.275 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.469 10.045 11.836 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.295 11.848 11.016 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.112 11.659 13.689 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.972 13.416 12.918 1.00 0.00 H new ATOM 0 HH TYR A 86 4.589 14.107 14.550 1.00 0.00 H new ATOM 1322 N SER A 87 1.007 9.669 9.181 1.00 0.00 N ATOM 1323 CA SER A 87 -0.228 10.422 8.893 1.00 0.00 C ATOM 1324 C SER A 87 -1.411 9.982 9.765 1.00 0.00 C ATOM 1325 O SER A 87 -1.451 8.860 10.274 1.00 0.00 O ATOM 1326 CB SER A 87 -0.634 10.246 7.422 1.00 0.00 C ATOM 1327 OG SER A 87 0.361 10.769 6.566 1.00 0.00 O ATOM 0 H SER A 87 0.824 8.715 9.492 1.00 0.00 H new ATOM 0 HA SER A 87 -0.001 11.465 9.115 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.789 9.189 7.206 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.582 10.751 7.238 1.00 0.00 H new ATOM 0 HG SER A 87 0.006 11.549 6.091 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.418 10.858 9.888 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.750 10.533 10.430 1.00 0.00 C ATOM 1335 C ARG A 88 -4.552 9.700 9.415 1.00 0.00 C ATOM 1336 O ARG A 88 -4.221 9.728 8.229 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.478 11.846 10.787 1.00 0.00 C ATOM 1338 CG ARG A 88 -3.757 12.588 11.926 1.00 0.00 C ATOM 1339 CD ARG A 88 -4.595 13.739 12.492 1.00 0.00 C ATOM 1340 NE ARG A 88 -5.721 13.247 13.314 1.00 0.00 N ATOM 1341 CZ ARG A 88 -6.622 13.974 13.953 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -6.615 15.277 13.915 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -7.551 13.397 14.662 1.00 0.00 N ATOM 0 H ARG A 88 -2.330 11.835 9.608 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.648 9.932 11.333 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.530 12.487 9.907 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.504 11.627 11.083 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.524 11.884 12.725 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.808 12.979 11.559 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.960 14.388 13.096 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.981 14.345 11.672 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.813 12.235 13.397 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.899 15.768 13.380 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.326 15.806 14.420 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.586 12.380 14.726 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.243 13.963 15.153 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.633 9.008 9.821 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.462 8.241 8.889 1.00 0.00 C ATOM 1359 C PRO A 89 -7.288 9.100 7.918 1.00 0.00 C ATOM 1360 O PRO A 89 -7.649 8.623 6.845 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.366 7.375 9.774 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.443 8.141 11.093 1.00 0.00 C ATOM 1363 CD PRO A 89 -6.057 8.771 11.196 1.00 0.00 C ATOM 0 HA PRO A 89 -5.825 7.653 8.228 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.353 7.246 9.330 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.948 6.378 9.916 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.230 8.895 11.078 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.651 7.479 11.934 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.090 9.702 11.762 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.362 8.108 11.712 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.578 10.361 8.250 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.428 11.251 7.439 1.00 0.00 C ATOM 1373 C GLU A 90 -7.852 11.527 6.034 1.00 0.00 C ATOM 1374 O GLU A 90 -8.526 11.192 5.056 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.754 12.547 8.205 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.727 12.299 9.366 1.00 0.00 C ATOM 1377 CD GLU A 90 -10.062 13.615 10.094 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -10.989 14.340 9.655 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -9.404 13.933 11.114 1.00 0.00 O ATOM 0 H GLU A 90 -7.227 10.803 9.100 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.365 10.722 7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.832 12.982 8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.187 13.275 7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.643 11.845 8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.288 11.592 10.069 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.616 12.055 5.876 1.00 0.00 N ATOM 1387 CA PRO A 91 -6.021 12.320 4.557 1.00 0.00 C ATOM 1388 C PRO A 91 -5.647 11.065 3.753 1.00 0.00 C ATOM 1389 O PRO A 91 -5.168 11.187 2.628 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.776 13.169 4.835 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.364 12.762 6.245 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.699 12.487 6.927 1.00 0.00 C ATOM 0 HA PRO A 91 -6.758 12.821 3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.985 12.967 4.113 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.997 14.235 4.775 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.724 11.879 6.240 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.810 13.554 6.748 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.594 11.717 7.691 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.073 13.382 7.425 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.864 9.871 4.309 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.646 8.563 3.674 1.00 0.00 C ATOM 1402 C VAL A 92 -6.983 7.996 3.190 1.00 0.00 C ATOM 1403 O VAL A 92 -7.139 7.701 2.007 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.927 7.608 4.653 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.490 6.322 3.948 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.674 8.225 5.301 1.00 0.00 C ATOM 0 H VAL A 92 -6.214 9.782 5.263 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.000 8.678 2.804 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.661 7.402 5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.987 5.669 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.365 5.813 3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.806 6.567 3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.219 7.500 5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.959 8.496 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.956 9.116 5.862 1.00 0.00 H new ATOM 1416 N LYS A 93 -7.985 7.887 4.070 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.314 7.355 3.724 1.00 0.00 C ATOM 1418 C LYS A 93 -10.087 8.259 2.757 1.00 0.00 C ATOM 1419 O LYS A 93 -10.670 7.772 1.790 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.142 7.078 4.995 1.00 0.00 C ATOM 1421 CG LYS A 93 -10.985 5.799 4.826 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.320 5.768 5.586 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.190 5.700 7.110 1.00 0.00 C ATOM 1424 NZ LYS A 93 -12.042 7.029 7.760 1.00 0.00 N ATOM 0 H LYS A 93 -7.899 8.166 5.047 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.145 6.414 3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.477 6.971 5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.795 7.926 5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.190 5.661 3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.386 4.947 5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.892 6.658 5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.896 4.907 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.070 5.202 7.518 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.328 5.084 7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.062 6.914 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.137 7.455 7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.824 7.648 7.466 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.084 9.571 3.008 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.901 10.556 2.291 1.00 0.00 C ATOM 1440 C ALA A 94 -10.397 10.895 0.874 1.00 0.00 C ATOM 1441 O ALA A 94 -11.066 11.633 0.147 1.00 0.00 O ATOM 1442 CB ALA A 94 -11.000 11.823 3.143 1.00 0.00 C ATOM 0 H ALA A 94 -9.500 9.988 3.732 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.882 10.105 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.605 12.565 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.464 11.583 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -10.001 12.225 3.315 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.244 10.348 0.460 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.750 10.424 -0.926 1.00 0.00 C ATOM 1450 C ILE A 95 -9.824 9.928 -1.919 1.00 0.00 C ATOM 1451 O ILE A 95 -9.981 10.499 -3.001 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.428 9.634 -1.098 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.345 10.069 -0.087 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.860 9.816 -2.516 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.118 9.145 -0.057 1.00 0.00 C ATOM 0 H ILE A 95 -8.621 9.835 1.084 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.540 11.470 -1.147 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.678 8.588 -0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.020 11.081 -0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.785 10.106 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.932 9.252 -2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.583 9.453 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.662 10.873 -2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.402 9.515 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.429 8.136 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.652 9.127 -1.042 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.612 8.920 -1.523 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.763 8.406 -2.265 1.00 0.00 C ATOM 1469 C CYS A 96 -13.110 8.677 -1.566 1.00 0.00 C ATOM 1470 O CYS A 96 -13.181 8.873 -0.349 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.559 6.910 -2.523 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.270 5.844 -1.088 1.00 0.00 S ATOM 0 H CYS A 96 -10.457 8.424 -0.645 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.818 8.943 -3.212 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.439 6.536 -3.047 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.713 6.798 -3.201 1.00 0.00 H new ATOM 1477 N LYS A 97 -14.194 8.659 -2.359 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.592 8.874 -1.941 1.00 0.00 C ATOM 1479 C LYS A 97 -16.542 8.184 -2.929 1.00 0.00 C ATOM 1480 O LYS A 97 -16.667 8.616 -4.074 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.854 10.393 -1.820 1.00 0.00 C ATOM 1482 CG LYS A 97 -17.127 10.781 -1.047 1.00 0.00 C ATOM 1483 CD LYS A 97 -18.439 10.623 -1.833 1.00 0.00 C ATOM 1484 CE LYS A 97 -19.596 11.254 -1.048 1.00 0.00 C ATOM 1485 NZ LYS A 97 -20.882 11.154 -1.787 1.00 0.00 N ATOM 0 H LYS A 97 -14.116 8.485 -3.361 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.775 8.428 -0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.997 10.855 -1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.915 10.816 -2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.186 10.172 -0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.036 11.819 -0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.348 11.099 -2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.642 9.567 -2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.692 10.759 -0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.372 12.302 -0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -21.640 11.591 -1.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -20.798 11.648 -2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -21.109 10.153 -1.955 1.00 0.00 H new ATOM 1499 N GLY A 98 -17.167 7.079 -2.512 1.00 0.00 N ATOM 1500 CA GLY A 98 -18.114 6.299 -3.329 1.00 0.00 C ATOM 1501 C GLY A 98 -17.466 5.268 -4.265 1.00 0.00 C ATOM 1502 O GLY A 98 -18.169 4.608 -5.031 1.00 0.00 O ATOM 0 H GLY A 98 -17.029 6.690 -1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.804 5.780 -2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.708 6.989 -3.928 1.00 0.00 H new ATOM 1506 N ILE A 99 -16.136 5.114 -4.219 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.362 4.213 -5.089 1.00 0.00 C ATOM 1508 C ILE A 99 -15.507 2.752 -4.638 1.00 0.00 C ATOM 1509 O ILE A 99 -15.094 2.376 -3.540 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.883 4.665 -5.180 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.815 6.083 -5.801 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -13.065 3.660 -6.014 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.402 6.643 -6.022 1.00 0.00 C ATOM 0 H ILE A 99 -15.551 5.626 -3.558 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.771 4.271 -6.098 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.452 4.698 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.334 6.066 -6.760 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.362 6.770 -5.155 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -12.028 3.991 -6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -13.108 2.677 -5.544 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.480 3.599 -7.020 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.470 7.639 -6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.880 6.702 -5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.852 5.987 -6.696 1.00 0.00 H new ATOM 1525 N ILE A 100 -16.074 1.919 -5.516 1.00 0.00 N ATOM 1526 CA ILE A 100 -16.210 0.452 -5.383 1.00 0.00 C ATOM 1527 C ILE A 100 -15.325 -0.284 -6.423 1.00 0.00 C ATOM 1528 O ILE A 100 -15.066 -1.480 -6.316 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.710 0.040 -5.481 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.629 1.020 -4.705 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -17.925 -1.377 -4.922 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -20.112 0.639 -4.623 1.00 0.00 C ATOM 0 H ILE A 100 -16.475 2.262 -6.389 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.851 0.150 -4.399 1.00 0.00 H new ATOM 0 HB ILE A 100 -17.973 0.069 -6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.244 1.119 -3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.553 2.002 -5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -18.979 -1.643 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.328 -2.088 -5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.621 -1.405 -3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.652 1.398 -4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.527 0.572 -5.629 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -20.213 -0.325 -4.124 1.00 0.00 H new ATOM 1544 N ALA A 101 -14.794 0.451 -7.407 1.00 0.00 N ATOM 1545 CA ALA A 101 -14.100 -0.035 -8.606 1.00 0.00 C ATOM 1546 C ALA A 101 -12.671 -0.593 -8.388 1.00 0.00 C ATOM 1547 O ALA A 101 -12.003 -0.948 -9.361 1.00 0.00 O ATOM 1548 CB ALA A 101 -14.083 1.127 -9.612 1.00 0.00 C ATOM 0 H ALA A 101 -14.841 1.470 -7.386 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.650 -0.904 -8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.575 0.812 -10.523 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.106 1.418 -9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.556 1.976 -9.178 1.00 0.00 H new ATOM 1554 N SER A 102 -12.186 -0.672 -7.141 1.00 0.00 N ATOM 1555 CA SER A 102 -10.797 -1.005 -6.777 1.00 0.00 C ATOM 1556 C SER A 102 -9.753 -0.129 -7.507 1.00 0.00 C ATOM 1557 O SER A 102 -8.999 -0.598 -8.367 1.00 0.00 O ATOM 1558 CB SER A 102 -10.546 -2.511 -6.926 1.00 0.00 C ATOM 1559 OG SER A 102 -9.375 -2.880 -6.216 1.00 0.00 O ATOM 0 H SER A 102 -12.772 -0.499 -6.324 1.00 0.00 H new ATOM 0 HA SER A 102 -10.663 -0.761 -5.723 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.402 -3.070 -6.548 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.438 -2.768 -7.980 1.00 0.00 H new ATOM 0 HG SER A 102 -9.222 -3.843 -6.315 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.716 1.174 -7.175 1.00 0.00 N ATOM 1566 CA LYS A 103 -8.765 2.183 -7.698 1.00 0.00 C ATOM 1567 C LYS A 103 -8.666 3.379 -6.746 1.00 0.00 C ATOM 1568 O LYS A 103 -9.605 3.647 -6.011 1.00 0.00 O ATOM 1569 CB LYS A 103 -9.218 2.618 -9.108 1.00 0.00 C ATOM 1570 CG LYS A 103 -8.225 3.566 -9.805 1.00 0.00 C ATOM 1571 CD LYS A 103 -8.386 3.541 -11.333 1.00 0.00 C ATOM 1572 CE LYS A 103 -7.408 4.508 -12.019 1.00 0.00 C ATOM 1573 NZ LYS A 103 -8.005 5.855 -12.223 1.00 0.00 N ATOM 0 H LYS A 103 -10.374 1.574 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.769 1.746 -7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.357 1.731 -9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.188 3.110 -9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.376 4.582 -9.441 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.206 3.281 -9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.217 2.529 -11.701 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.409 3.809 -11.596 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.505 4.600 -11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.107 4.096 -12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.312 6.475 -12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.852 5.772 -12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.269 6.261 -11.303 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.553 4.106 -6.722 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.454 5.429 -6.093 1.00 0.00 C ATOM 1589 C ASN A 104 -6.631 6.398 -6.964 1.00 0.00 C ATOM 1590 O ASN A 104 -6.279 6.082 -8.104 1.00 0.00 O ATOM 1591 CB ASN A 104 -6.864 5.269 -4.676 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.498 6.182 -3.637 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -8.083 7.203 -3.950 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.392 5.840 -2.372 1.00 0.00 N ATOM 0 H ASN A 104 -6.679 3.792 -7.144 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.447 5.869 -6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.985 4.234 -4.358 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.793 5.468 -4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.801 6.431 -1.648 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.901 4.984 -2.115 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.310 7.572 -6.420 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.416 8.571 -7.018 1.00 0.00 C ATOM 1603 C VAL A 105 -4.313 8.905 -6.009 1.00 0.00 C ATOM 1604 O VAL A 105 -4.577 9.014 -4.811 1.00 0.00 O ATOM 1605 CB VAL A 105 -6.207 9.835 -7.426 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -5.335 10.828 -8.204 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -7.410 9.502 -8.324 1.00 0.00 C ATOM 0 H VAL A 105 -6.678 7.867 -5.516 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.963 8.170 -7.925 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.545 10.274 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.929 11.702 -8.472 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.494 11.137 -7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.962 10.352 -9.111 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.935 10.421 -8.585 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.061 9.013 -9.233 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.088 8.836 -7.791 1.00 0.00 H new ATOM 1617 N LEU A 106 -3.075 9.063 -6.483 1.00 0.00 N ATOM 1618 CA LEU A 106 -1.946 9.579 -5.702 1.00 0.00 C ATOM 1619 C LEU A 106 -2.310 10.877 -4.950 1.00 0.00 C ATOM 1620 O LEU A 106 -2.982 11.755 -5.498 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.768 9.807 -6.675 1.00 0.00 C ATOM 1622 CG LEU A 106 0.538 10.317 -6.041 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.211 9.237 -5.207 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.505 10.777 -7.129 1.00 0.00 C ATOM 0 H LEU A 106 -2.823 8.830 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.670 8.856 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.558 8.868 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.083 10.521 -7.436 1.00 0.00 H new ATOM 0 HG LEU A 106 0.282 11.153 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.130 9.632 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.539 8.923 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.446 8.382 -5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.426 11.136 -6.669 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.732 9.941 -7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.049 11.583 -7.704 1.00 0.00 H new ATOM 1636 N THR A 107 -1.845 11.013 -3.706 1.00 0.00 N ATOM 1637 CA THR A 107 -2.008 12.250 -2.909 1.00 0.00 C ATOM 1638 C THR A 107 -1.314 13.477 -3.533 1.00 0.00 C ATOM 1639 O THR A 107 -0.549 13.372 -4.492 1.00 0.00 O ATOM 1640 CB THR A 107 -1.530 12.085 -1.449 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.838 10.886 -1.210 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.701 12.116 -0.472 1.00 0.00 C ATOM 0 H THR A 107 -1.343 10.273 -3.215 1.00 0.00 H new ATOM 0 HA THR A 107 -3.083 12.431 -2.911 1.00 0.00 H new ATOM 0 HB THR A 107 -0.854 12.926 -1.294 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.564 10.848 -0.270 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.329 11.997 0.546 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.222 13.069 -0.559 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.390 11.304 -0.704 1.00 0.00 H new ATOM 1650 N THR A 108 -1.549 14.661 -2.955 1.00 0.00 N ATOM 1651 CA THR A 108 -0.979 15.950 -3.411 1.00 0.00 C ATOM 1652 C THR A 108 -0.118 16.662 -2.354 1.00 0.00 C ATOM 1653 O THR A 108 0.781 17.428 -2.707 1.00 0.00 O ATOM 1654 CB THR A 108 -2.096 16.859 -3.960 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.561 17.947 -4.687 1.00 0.00 O ATOM 1656 CG2 THR A 108 -3.043 17.415 -2.891 1.00 0.00 C ATOM 0 H THR A 108 -2.153 14.760 -2.139 1.00 0.00 H new ATOM 0 HA THR A 108 -0.284 15.719 -4.219 1.00 0.00 H new ATOM 0 HB THR A 108 -2.680 16.206 -4.609 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.292 18.506 -5.025 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.797 18.043 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.531 16.590 -2.373 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.475 18.008 -2.174 1.00 0.00 H new ATOM 1664 N SER A 109 -0.346 16.386 -1.066 1.00 0.00 N ATOM 1665 CA SER A 109 0.440 16.906 0.067 1.00 0.00 C ATOM 1666 C SER A 109 1.724 16.095 0.300 1.00 0.00 C ATOM 1667 O SER A 109 1.940 15.052 -0.315 1.00 0.00 O ATOM 1668 CB SER A 109 -0.420 16.904 1.339 1.00 0.00 C ATOM 1669 OG SER A 109 -1.584 17.696 1.150 1.00 0.00 O ATOM 0 H SER A 109 -1.107 15.775 -0.769 1.00 0.00 H new ATOM 0 HA SER A 109 0.738 17.926 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.704 15.883 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.159 17.291 2.178 1.00 0.00 H new ATOM 0 HG SER A 109 -2.124 17.685 1.968 1.00 0.00 H new ATOM 1675 N GLU A 110 2.590 16.563 1.203 1.00 0.00 N ATOM 1676 CA GLU A 110 3.887 15.947 1.512 1.00 0.00 C ATOM 1677 C GLU A 110 3.964 15.511 2.985 1.00 0.00 C ATOM 1678 O GLU A 110 4.070 16.338 3.894 1.00 0.00 O ATOM 1679 CB GLU A 110 5.043 16.879 1.111 1.00 0.00 C ATOM 1680 CG GLU A 110 4.904 17.417 -0.321 1.00 0.00 C ATOM 1681 CD GLU A 110 6.200 18.080 -0.829 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.675 19.060 -0.206 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.733 17.645 -1.879 1.00 0.00 O ATOM 0 H GLU A 110 2.406 17.401 1.754 1.00 0.00 H new ATOM 0 HA GLU A 110 3.987 15.039 0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.086 17.717 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.986 16.340 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.632 16.599 -0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.091 18.142 -0.356 1.00 0.00 H new ATOM 1690 N PHE A 111 3.864 14.200 3.220 1.00 0.00 N ATOM 1691 CA PHE A 111 3.800 13.562 4.542 1.00 0.00 C ATOM 1692 C PHE A 111 5.165 12.984 4.936 1.00 0.00 C ATOM 1693 O PHE A 111 6.017 12.767 4.071 1.00 0.00 O ATOM 1694 CB PHE A 111 2.745 12.443 4.515 1.00 0.00 C ATOM 1695 CG PHE A 111 1.427 12.822 3.862 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.294 12.704 2.467 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.329 13.263 4.627 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.086 13.033 1.838 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.889 13.576 3.998 1.00 0.00 C ATOM 1700 CZ PHE A 111 -1.010 13.460 2.602 1.00 0.00 C ATOM 0 H PHE A 111 3.823 13.521 2.460 1.00 0.00 H new ATOM 0 HA PHE A 111 3.523 14.313 5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.161 11.584 3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.548 12.124 5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.129 12.357 1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.423 13.361 5.698 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.001 12.958 0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.732 13.906 4.587 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.946 13.699 2.119 1.00 0.00 H new ATOM 1710 N TYR A 112 5.381 12.697 6.225 1.00 0.00 N ATOM 1711 CA TYR A 112 6.648 12.135 6.703 1.00 0.00 C ATOM 1712 C TYR A 112 6.770 10.660 6.295 1.00 0.00 C ATOM 1713 O TYR A 112 6.096 9.785 6.847 1.00 0.00 O ATOM 1714 CB TYR A 112 6.803 12.350 8.216 1.00 0.00 C ATOM 1715 CG TYR A 112 7.796 13.437 8.576 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.410 14.791 8.523 1.00 0.00 C ATOM 1717 CD2 TYR A 112 9.109 13.089 8.950 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.333 15.799 8.867 1.00 0.00 C ATOM 1719 CE2 TYR A 112 10.034 14.093 9.299 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.645 15.453 9.261 1.00 0.00 C ATOM 1721 OH TYR A 112 10.529 16.432 9.601 1.00 0.00 O ATOM 0 H TYR A 112 4.689 12.846 6.959 1.00 0.00 H new ATOM 0 HA TYR A 112 7.474 12.664 6.228 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.831 12.602 8.640 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.119 11.414 8.677 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.408 15.056 8.219 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.407 12.051 8.969 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.037 16.837 8.829 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.038 13.825 9.595 1.00 0.00 H new ATOM 0 HH TYR A 112 11.386 16.027 9.849 1.00 0.00 H new ATOM 1731 N LEU A 113 7.613 10.397 5.294 1.00 0.00 N ATOM 1732 CA LEU A 113 7.870 9.064 4.749 1.00 0.00 C ATOM 1733 C LEU A 113 9.115 8.431 5.379 1.00 0.00 C ATOM 1734 O LEU A 113 10.217 8.982 5.328 1.00 0.00 O ATOM 1735 CB LEU A 113 7.974 9.142 3.211 1.00 0.00 C ATOM 1736 CG LEU A 113 6.832 8.432 2.470 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.839 6.924 2.695 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.450 8.992 2.808 1.00 0.00 C ATOM 0 H LEU A 113 8.151 11.127 4.827 1.00 0.00 H new ATOM 0 HA LEU A 113 7.034 8.412 5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.992 10.190 2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.923 8.705 2.899 1.00 0.00 H new ATOM 0 HG LEU A 113 7.025 8.631 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.011 6.471 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.781 6.507 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.730 6.714 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.690 8.445 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.265 8.883 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.409 10.047 2.538 1.00 0.00 H new ATOM 1750 N SER A 114 8.928 7.252 5.970 1.00 0.00 N ATOM 1751 CA SER A 114 9.945 6.522 6.727 1.00 0.00 C ATOM 1752 C SER A 114 10.087 5.089 6.209 1.00 0.00 C ATOM 1753 O SER A 114 9.384 4.171 6.627 1.00 0.00 O ATOM 1754 CB SER A 114 9.621 6.600 8.220 1.00 0.00 C ATOM 1755 OG SER A 114 10.558 5.859 8.986 1.00 0.00 O ATOM 0 H SER A 114 8.034 6.762 5.934 1.00 0.00 H new ATOM 0 HA SER A 114 10.921 6.985 6.583 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.626 7.641 8.542 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.617 6.216 8.398 1.00 0.00 H new ATOM 0 HG SER A 114 10.123 5.519 9.795 1.00 0.00 H new ATOM 1761 N ASP A 115 10.995 4.897 5.254 1.00 0.00 N ATOM 1762 CA ASP A 115 11.413 3.569 4.802 1.00 0.00 C ATOM 1763 C ASP A 115 12.512 2.981 5.709 1.00 0.00 C ATOM 1764 O ASP A 115 13.179 3.693 6.463 1.00 0.00 O ATOM 1765 CB ASP A 115 11.905 3.659 3.352 1.00 0.00 C ATOM 1766 CG ASP A 115 10.767 3.987 2.376 1.00 0.00 C ATOM 1767 OD1 ASP A 115 9.944 3.084 2.097 1.00 0.00 O ATOM 1768 OD2 ASP A 115 10.717 5.134 1.870 1.00 0.00 O ATOM 0 H ASP A 115 11.465 5.662 4.769 1.00 0.00 H new ATOM 0 HA ASP A 115 10.555 2.899 4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.677 4.425 3.278 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.366 2.713 3.067 1.00 0.00 H new ATOM 1773 N CYS A 116 12.749 1.675 5.605 1.00 0.00 N ATOM 1774 CA CYS A 116 13.985 1.034 6.070 1.00 0.00 C ATOM 1775 C CYS A 116 14.215 -0.246 5.267 1.00 0.00 C ATOM 1776 O CYS A 116 13.348 -1.118 5.259 1.00 0.00 O ATOM 1777 CB CYS A 116 13.930 0.758 7.582 1.00 0.00 C ATOM 1778 SG CYS A 116 15.344 1.483 8.462 1.00 0.00 S ATOM 0 H CYS A 116 12.083 1.022 5.192 1.00 0.00 H new ATOM 0 HA CYS A 116 14.827 1.706 5.907 1.00 0.00 H new ATOM 0 HB2 CYS A 116 13.004 1.162 7.990 1.00 0.00 H new ATOM 0 HB3 CYS A 116 13.911 -0.318 7.753 1.00 0.00 H new ATOM 1783 N ASN A 117 15.338 -0.338 4.551 1.00 0.00 N ATOM 1784 CA ASN A 117 15.646 -1.440 3.634 1.00 0.00 C ATOM 1785 C ASN A 117 16.734 -2.335 4.229 1.00 0.00 C ATOM 1786 O ASN A 117 17.685 -1.822 4.816 1.00 0.00 O ATOM 1787 CB ASN A 117 16.081 -0.859 2.274 1.00 0.00 C ATOM 1788 CG ASN A 117 14.936 -0.389 1.396 1.00 0.00 C ATOM 1789 OD1 ASN A 117 14.624 -0.990 0.381 1.00 0.00 O ATOM 1790 ND2 ASN A 117 14.289 0.705 1.729 1.00 0.00 N ATOM 0 H ASN A 117 16.075 0.366 4.593 1.00 0.00 H new ATOM 0 HA ASN A 117 14.759 -2.055 3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 117 16.755 -0.021 2.450 1.00 0.00 H new ATOM 0 HB3 ASN A 117 16.649 -1.617 1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.530 1.048 1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.546 1.211 2.576 1.00 0.00 H new ATOM 1797 N VAL A 118 16.614 -3.657 4.087 1.00 0.00 N ATOM 1798 CA VAL A 118 17.610 -4.621 4.606 1.00 0.00 C ATOM 1799 C VAL A 118 18.993 -4.435 3.956 1.00 0.00 C ATOM 1800 O VAL A 118 19.107 -4.030 2.796 1.00 0.00 O ATOM 1801 CB VAL A 118 17.081 -6.065 4.456 1.00 0.00 C ATOM 1802 CG1 VAL A 118 18.138 -7.176 4.549 1.00 0.00 C ATOM 1803 CG2 VAL A 118 16.054 -6.355 5.554 1.00 0.00 C ATOM 0 H VAL A 118 15.827 -4.098 3.611 1.00 0.00 H new ATOM 0 HA VAL A 118 17.753 -4.423 5.668 1.00 0.00 H new ATOM 0 HB VAL A 118 16.667 -6.090 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.657 -8.147 4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.879 -7.040 3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.629 -7.131 5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.683 -7.374 5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.524 -6.242 6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.223 -5.655 5.469 1.00 0.00 H new ATOM 1813 N THR A 119 20.063 -4.744 4.700 1.00 0.00 N ATOM 1814 CA THR A 119 21.457 -4.714 4.201 1.00 0.00 C ATOM 1815 C THR A 119 22.310 -5.859 4.761 1.00 0.00 C ATOM 1816 O THR A 119 22.862 -5.787 5.859 1.00 0.00 O ATOM 1817 CB THR A 119 22.100 -3.325 4.368 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.416 -3.301 3.863 1.00 0.00 O ATOM 1819 CG2 THR A 119 22.096 -2.746 5.780 1.00 0.00 C ATOM 0 H THR A 119 19.991 -5.026 5.678 1.00 0.00 H new ATOM 0 HA THR A 119 21.414 -4.893 3.127 1.00 0.00 H new ATOM 0 HB THR A 119 21.445 -2.680 3.783 1.00 0.00 H new ATOM 0 HG1 THR A 119 23.796 -2.406 3.982 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.575 -1.767 5.773 1.00 0.00 H new ATOM 0 HG22 THR A 119 21.068 -2.645 6.129 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.642 -3.412 6.448 1.00 0.00 H new ATOM 1827 N SER A 120 22.394 -6.943 3.984 1.00 0.00 N ATOM 1828 CA SER A 120 23.157 -8.178 4.264 1.00 0.00 C ATOM 1829 C SER A 120 24.644 -7.937 4.570 1.00 0.00 C ATOM 1830 O SER A 120 25.147 -8.519 5.559 1.00 0.00 O ATOM 1831 CB SER A 120 23.040 -9.148 3.085 1.00 0.00 C ATOM 1832 OG SER A 120 21.672 -9.423 2.816 1.00 0.00 O ATOM 1833 OXT SER A 120 25.315 -7.208 3.801 1.00 0.00 O ATOM 0 H SER A 120 21.906 -6.992 3.090 1.00 0.00 H new ATOM 0 HA SER A 120 22.713 -8.603 5.164 1.00 0.00 H new ATOM 0 HB2 SER A 120 23.514 -8.719 2.202 1.00 0.00 H new ATOM 0 HB3 SER A 120 23.568 -10.074 3.312 1.00 0.00 H new ATOM 0 HG SER A 120 21.605 -10.043 2.060 1.00 0.00 H new