USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 992 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 78 SER OG : rot 180:sc= 0.147 USER MOD Set 1.2: A 80 CYS SG : rot 92:sc= -0.609 USER MOD Set 2.1: A 12 SER OG : rot -140:sc= 0.765 USER MOD Set 2.2: A 16 GLN : amide:sc= 1.12 K(o=4.5,f=-0.32) USER MOD Set 2.3: A 34 SER OG : rot -87:sc= 1.75 USER MOD Set 2.4: A 40 SER OG : rot -102:sc= 0.848 USER MOD Set 3.1: A 23 LYS NZ :NH3+ 178:sc= 2.39 (180deg=1.2) USER MOD Set 3.2: A 60 GLN : amide:sc= 1.03 K(o=3.4,f=-5.7!) USER MOD Set 4.1: A 8 CYS SG : rot -46:sc= 1.7 USER MOD Set 4.2: A 15 SER OG : rot -118:sc= 1.26 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.0089 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.18) USER MOD Single : A 5 MET CE :methyl -161:sc= 0 (180deg=-1.07) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0.433 K(o=0.43,f=-7.6!) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -178:sc= -1.93 (180deg=-2) USER MOD Single : A 24 THR OG1 : rot 82:sc= 1.18 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -170:sc= 0 USER MOD Single : A 35 CYS SG : rot 57:sc= 0.325 USER MOD Single : A 39 SER OG : rot 180:sc= -0.203 USER MOD Single : A 43 HIS : no HD1:sc= 0.579 K(o=0.58,f=-2.7!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 154:sc= -0.0899 (180deg=-0.27) USER MOD Single : A 50 MET CE :methyl 180:sc=-0.00443 (180deg=-0.00443) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0561 USER MOD Single : A 67 ASN : amide:sc= 2.58 K(o=2.6,f=-0.0039) USER MOD Single : A 69 ASN : amide:sc= 1.03 K(o=1,f=-0.015) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot -29:sc= 0.124 USER MOD Single : A 93 GLN : amide:sc= -0.51! C(o=-0.51!,f=-6.7!) USER MOD Single : A 100 GLN : amide:sc= 1.12 K(o=1.1,f=-0.043) USER MOD Single : A 107 GLN : amide:sc= 1.82 K(o=1.8,f=0) USER MOD Single : A 108 SER OG : rot -170:sc= 0.282 USER MOD Single : A 114 THR OG1 : rot 62:sc= 0.251 USER MOD Single : A 118 GLN : amide:sc= 0.385 X(o=0.38,f=-0.006) USER MOD Single : A 120 LYS NZ :NH3+ -157:sc= 1.3 (180deg=1.16) USER MOD Single : A 125 ASN : amide:sc= 0.475 K(o=0.48,f=-0.051) USER MOD Single : A 129 LYS NZ :NH3+ 174:sc= 1.31 (180deg=1.18) USER MOD Single : A 131 SER OG : rot 83:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.494 2.081 1.235 1.00 0.00 N ATOM 2 CA MET A 1 3.563 1.789 -0.234 1.00 0.00 C ATOM 3 C MET A 1 4.516 0.611 -0.527 1.00 0.00 C ATOM 4 O MET A 1 5.547 0.482 0.128 1.00 0.00 O ATOM 5 CB MET A 1 3.947 3.063 -1.041 1.00 0.00 C ATOM 6 CG MET A 1 4.020 2.861 -2.567 1.00 0.00 C ATOM 7 SD MET A 1 4.248 4.379 -3.542 1.00 0.00 S ATOM 8 CE MET A 1 2.553 5.031 -3.519 1.00 0.00 C ATOM 0 H1 MET A 1 3.355 3.101 1.380 1.00 0.00 H new ATOM 0 H2 MET A 1 2.698 1.560 1.655 1.00 0.00 H new ATOM 0 H3 MET A 1 4.381 1.784 1.690 1.00 0.00 H new ATOM 0 HA MET A 1 2.569 1.485 -0.564 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.219 3.846 -0.826 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.914 3.422 -0.689 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.842 2.180 -2.788 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.103 2.372 -2.896 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.516 5.967 -4.076 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.879 4.308 -3.978 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.246 5.210 -2.489 1.00 0.00 H new ATOM 18 N LYS A 2 4.193 -0.237 -1.524 1.00 0.00 N ATOM 19 CA LYS A 2 5.029 -1.379 -1.953 1.00 0.00 C ATOM 20 C LYS A 2 6.297 -0.918 -2.660 1.00 0.00 C ATOM 21 O LYS A 2 6.241 0.001 -3.477 1.00 0.00 O ATOM 22 CB LYS A 2 4.248 -2.334 -2.872 1.00 0.00 C ATOM 23 CG LYS A 2 3.073 -3.057 -2.198 1.00 0.00 C ATOM 24 CD LYS A 2 2.229 -3.784 -3.263 1.00 0.00 C ATOM 25 CE LYS A 2 1.252 -2.864 -4.024 1.00 0.00 C ATOM 26 NZ LYS A 2 -0.027 -2.635 -3.281 1.00 0.00 N ATOM 0 H LYS A 2 3.331 -0.147 -2.063 1.00 0.00 H new ATOM 0 HA LYS A 2 5.312 -1.913 -1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.869 -1.768 -3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.937 -3.080 -3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.446 -3.773 -1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.455 -2.340 -1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.898 -4.259 -3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.662 -4.580 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.735 -1.905 -4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.028 -3.304 -4.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.645 -2.011 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.505 -3.545 -3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.179 -2.190 -2.364 1.00 0.00 H new ATOM 40 N LYS A 3 7.407 -1.613 -2.423 1.00 0.00 N ATOM 41 CA LYS A 3 8.692 -1.386 -3.101 1.00 0.00 C ATOM 42 C LYS A 3 9.044 -2.549 -4.032 1.00 0.00 C ATOM 43 O LYS A 3 9.012 -3.710 -3.630 1.00 0.00 O ATOM 44 CB LYS A 3 9.760 -1.115 -2.032 1.00 0.00 C ATOM 45 CG LYS A 3 11.039 -0.463 -2.579 1.00 0.00 C ATOM 46 CD LYS A 3 12.054 -0.166 -1.460 1.00 0.00 C ATOM 47 CE LYS A 3 11.494 0.798 -0.398 1.00 0.00 C ATOM 48 NZ LYS A 3 12.515 1.132 0.634 1.00 0.00 N ATOM 0 H LYS A 3 7.444 -2.369 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 3 8.631 -0.513 -3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.335 -0.469 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.022 -2.056 -1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.495 -1.122 -3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.783 0.464 -3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.345 -1.100 -0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 3 12.956 0.263 -1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.152 1.713 -0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.625 0.347 0.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.131 1.847 1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 12.761 0.275 1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.367 1.507 0.171 1.00 0.00 H new ATOM 62 N VAL A 4 9.379 -2.209 -5.275 1.00 0.00 N ATOM 63 CA VAL A 4 9.739 -3.129 -6.360 1.00 0.00 C ATOM 64 C VAL A 4 11.260 -3.196 -6.509 1.00 0.00 C ATOM 65 O VAL A 4 11.873 -2.199 -6.886 1.00 0.00 O ATOM 66 CB VAL A 4 9.089 -2.685 -7.689 1.00 0.00 C ATOM 67 CG1 VAL A 4 9.380 -3.687 -8.811 1.00 0.00 C ATOM 68 CG2 VAL A 4 7.565 -2.551 -7.578 1.00 0.00 C ATOM 0 H VAL A 4 9.409 -1.233 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 4 9.365 -4.122 -6.111 1.00 0.00 H new ATOM 0 HB VAL A 4 9.525 -1.712 -7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.909 -3.347 -9.734 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.457 -3.764 -8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.981 -4.664 -8.539 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.156 -2.237 -8.538 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.135 -3.512 -7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.319 -1.808 -6.819 1.00 0.00 H new ATOM 78 N MET A 5 11.874 -4.353 -6.249 1.00 0.00 N ATOM 79 CA MET A 5 13.292 -4.590 -6.576 1.00 0.00 C ATOM 80 C MET A 5 13.417 -5.279 -7.938 1.00 0.00 C ATOM 81 O MET A 5 12.825 -6.337 -8.145 1.00 0.00 O ATOM 82 CB MET A 5 13.991 -5.428 -5.495 1.00 0.00 C ATOM 83 CG MET A 5 15.496 -5.587 -5.751 1.00 0.00 C ATOM 84 SD MET A 5 16.475 -4.072 -5.600 1.00 0.00 S ATOM 85 CE MET A 5 17.017 -4.231 -3.876 1.00 0.00 C ATOM 0 H MET A 5 11.411 -5.149 -5.810 1.00 0.00 H new ATOM 0 HA MET A 5 13.786 -3.619 -6.618 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.839 -4.959 -4.523 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.528 -6.414 -5.449 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.890 -6.325 -5.052 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.636 -5.991 -6.754 1.00 0.00 H new ATOM 0 HE1 MET A 5 17.337 -3.258 -3.504 1.00 0.00 H new ATOM 0 HE2 MET A 5 16.191 -4.599 -3.267 1.00 0.00 H new ATOM 0 HE3 MET A 5 17.849 -4.932 -3.820 1.00 0.00 H new ATOM 95 N PHE A 6 14.241 -4.735 -8.833 1.00 0.00 N ATOM 96 CA PHE A 6 14.637 -5.383 -10.090 1.00 0.00 C ATOM 97 C PHE A 6 16.031 -6.013 -9.957 1.00 0.00 C ATOM 98 O PHE A 6 17.011 -5.282 -9.809 1.00 0.00 O ATOM 99 CB PHE A 6 14.564 -4.355 -11.226 1.00 0.00 C ATOM 100 CG PHE A 6 13.142 -3.972 -11.580 1.00 0.00 C ATOM 101 CD1 PHE A 6 12.364 -4.858 -12.342 1.00 0.00 C ATOM 102 CD2 PHE A 6 12.579 -2.768 -11.119 1.00 0.00 C ATOM 103 CE1 PHE A 6 11.037 -4.539 -12.657 1.00 0.00 C ATOM 104 CE2 PHE A 6 11.246 -2.452 -11.451 1.00 0.00 C ATOM 105 CZ PHE A 6 10.477 -3.328 -12.235 1.00 0.00 C ATOM 0 H PHE A 6 14.662 -3.815 -8.705 1.00 0.00 H new ATOM 0 HA PHE A 6 13.951 -6.197 -10.324 1.00 0.00 H new ATOM 0 HB2 PHE A 6 15.115 -3.460 -10.936 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.057 -4.761 -12.109 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.790 -5.789 -12.686 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.164 -2.090 -10.515 1.00 0.00 H new ATOM 0 HE1 PHE A 6 10.441 -5.234 -13.230 1.00 0.00 H new ATOM 0 HE2 PHE A 6 10.812 -1.528 -11.099 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.465 -3.070 -12.509 1.00 0.00 H new ATOM 115 N VAL A 7 16.137 -7.347 -10.010 1.00 0.00 N ATOM 116 CA VAL A 7 17.401 -8.085 -9.790 1.00 0.00 C ATOM 117 C VAL A 7 17.940 -8.761 -11.052 1.00 0.00 C ATOM 118 O VAL A 7 17.198 -9.392 -11.802 1.00 0.00 O ATOM 119 CB VAL A 7 17.349 -9.082 -8.609 1.00 0.00 C ATOM 120 CG1 VAL A 7 16.941 -8.375 -7.314 1.00 0.00 C ATOM 121 CG2 VAL A 7 16.362 -10.240 -8.807 1.00 0.00 C ATOM 0 H VAL A 7 15.343 -7.956 -10.208 1.00 0.00 H new ATOM 0 HA VAL A 7 18.110 -7.306 -9.512 1.00 0.00 H new ATOM 0 HB VAL A 7 18.359 -9.488 -8.555 1.00 0.00 H new ATOM 0 HG11 VAL A 7 16.912 -9.098 -6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 7 17.666 -7.595 -7.082 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.955 -7.928 -7.439 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.387 -10.893 -7.934 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.355 -9.842 -8.934 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.642 -10.809 -9.694 1.00 0.00 H new ATOM 131 N CYS A 8 19.252 -8.668 -11.258 1.00 0.00 N ATOM 132 CA CYS A 8 19.993 -9.387 -12.301 1.00 0.00 C ATOM 133 C CYS A 8 21.255 -10.056 -11.719 1.00 0.00 C ATOM 134 O CYS A 8 21.561 -9.871 -10.543 1.00 0.00 O ATOM 135 CB CYS A 8 20.298 -8.373 -13.415 1.00 0.00 C ATOM 136 SG CYS A 8 21.559 -7.192 -12.848 1.00 0.00 S ATOM 0 H CYS A 8 19.851 -8.072 -10.687 1.00 0.00 H new ATOM 0 HA CYS A 8 19.407 -10.207 -12.717 1.00 0.00 H new ATOM 0 HB2 CYS A 8 20.649 -8.893 -14.306 1.00 0.00 H new ATOM 0 HB3 CYS A 8 19.388 -7.841 -13.694 1.00 0.00 H new ATOM 0 HG CYS A 8 21.258 -6.776 -11.654 1.00 0.00 H new ATOM 142 N LYS A 9 22.042 -10.781 -12.529 1.00 0.00 N ATOM 143 CA LYS A 9 23.365 -11.281 -12.093 1.00 0.00 C ATOM 144 C LYS A 9 24.408 -10.154 -12.025 1.00 0.00 C ATOM 145 O LYS A 9 24.930 -9.874 -10.951 1.00 0.00 O ATOM 146 CB LYS A 9 23.784 -12.491 -12.957 1.00 0.00 C ATOM 147 CG LYS A 9 25.067 -13.152 -12.425 1.00 0.00 C ATOM 148 CD LYS A 9 25.435 -14.405 -13.233 1.00 0.00 C ATOM 149 CE LYS A 9 26.738 -15.015 -12.694 1.00 0.00 C ATOM 150 NZ LYS A 9 27.140 -16.233 -13.453 1.00 0.00 N ATOM 0 H LYS A 9 21.792 -11.035 -13.485 1.00 0.00 H new ATOM 0 HA LYS A 9 23.294 -11.645 -11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 9 22.977 -13.223 -12.973 1.00 0.00 H new ATOM 0 HB3 LYS A 9 23.941 -12.167 -13.986 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.889 -12.437 -12.466 1.00 0.00 H new ATOM 0 HG3 LYS A 9 24.931 -13.421 -11.378 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.629 -15.136 -13.172 1.00 0.00 H new ATOM 0 HD3 LYS A 9 25.553 -14.147 -14.286 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.535 -14.274 -12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.611 -15.269 -11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.024 -16.613 -13.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.391 -16.951 -13.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.286 -15.986 -14.453 1.00 0.00 H new ATOM 164 N ARG A 10 24.689 -9.500 -13.161 1.00 0.00 N ATOM 165 CA ARG A 10 25.752 -8.471 -13.285 1.00 0.00 C ATOM 166 C ARG A 10 25.503 -7.418 -14.387 1.00 0.00 C ATOM 167 O ARG A 10 26.450 -6.845 -14.922 1.00 0.00 O ATOM 168 CB ARG A 10 27.104 -9.207 -13.482 1.00 0.00 C ATOM 169 CG ARG A 10 28.250 -8.450 -12.795 1.00 0.00 C ATOM 170 CD ARG A 10 29.640 -8.985 -13.166 1.00 0.00 C ATOM 171 NE ARG A 10 29.847 -10.406 -12.810 1.00 0.00 N ATOM 172 CZ ARG A 10 30.891 -11.150 -13.129 1.00 0.00 C ATOM 173 NH1 ARG A 10 31.898 -10.696 -13.823 1.00 0.00 N ATOM 174 NH2 ARG A 10 30.923 -12.386 -12.739 1.00 0.00 N ATOM 0 H ARG A 10 24.185 -9.666 -14.032 1.00 0.00 H new ATOM 0 HA ARG A 10 25.759 -7.883 -12.368 1.00 0.00 H new ATOM 0 HB2 ARG A 10 27.035 -10.216 -13.075 1.00 0.00 H new ATOM 0 HB3 ARG A 10 27.316 -9.306 -14.547 1.00 0.00 H new ATOM 0 HG2 ARG A 10 28.191 -7.395 -13.063 1.00 0.00 H new ATOM 0 HG3 ARG A 10 28.121 -8.512 -11.714 1.00 0.00 H new ATOM 0 HD2 ARG A 10 29.792 -8.863 -14.238 1.00 0.00 H new ATOM 0 HD3 ARG A 10 30.397 -8.381 -12.666 1.00 0.00 H new ATOM 0 HE ARG A 10 29.111 -10.855 -12.265 1.00 0.00 H new ATOM 0 HH11 ARG A 10 31.901 -9.728 -14.144 1.00 0.00 H new ATOM 0 HH12 ARG A 10 32.682 -11.309 -14.045 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.150 -12.769 -12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 10 31.721 -12.975 -12.976 1.00 0.00 H new ATOM 188 N ASN A 11 24.240 -7.172 -14.758 1.00 0.00 N ATOM 189 CA ASN A 11 23.879 -6.370 -15.944 1.00 0.00 C ATOM 190 C ASN A 11 22.780 -5.316 -15.693 1.00 0.00 C ATOM 191 O ASN A 11 21.590 -5.629 -15.635 1.00 0.00 O ATOM 192 CB ASN A 11 23.525 -7.386 -17.053 1.00 0.00 C ATOM 193 CG ASN A 11 23.305 -6.775 -18.429 1.00 0.00 C ATOM 194 OD1 ASN A 11 22.950 -5.617 -18.578 1.00 0.00 O ATOM 195 ND2 ASN A 11 23.471 -7.560 -19.465 1.00 0.00 N ATOM 0 H ASN A 11 23.432 -7.524 -14.244 1.00 0.00 H new ATOM 0 HA ASN A 11 24.720 -5.745 -16.244 1.00 0.00 H new ATOM 0 HB2 ASN A 11 24.326 -8.122 -17.121 1.00 0.00 H new ATOM 0 HB3 ASN A 11 22.623 -7.923 -16.760 1.00 0.00 H new ATOM 0 HD21 ASN A 11 23.303 -7.205 -20.406 1.00 0.00 H new ATOM 0 HD22 ASN A 11 23.768 -8.526 -19.330 1.00 0.00 H new ATOM 202 N SER A 12 23.174 -4.042 -15.642 1.00 0.00 N ATOM 203 CA SER A 12 22.271 -2.891 -15.438 1.00 0.00 C ATOM 204 C SER A 12 21.308 -2.626 -16.592 1.00 0.00 C ATOM 205 O SER A 12 20.242 -2.064 -16.362 1.00 0.00 O ATOM 206 CB SER A 12 23.100 -1.628 -15.214 1.00 0.00 C ATOM 207 OG SER A 12 23.778 -1.719 -13.981 1.00 0.00 O ATOM 0 H SER A 12 24.151 -3.768 -15.743 1.00 0.00 H new ATOM 0 HA SER A 12 21.664 -3.148 -14.570 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.816 -1.502 -16.026 1.00 0.00 H new ATOM 0 HB3 SER A 12 22.453 -0.751 -15.221 1.00 0.00 H new ATOM 0 HG SER A 12 23.761 -0.847 -13.533 1.00 0.00 H new ATOM 213 N CYS A 13 21.612 -3.080 -17.816 1.00 0.00 N ATOM 214 CA CYS A 13 20.682 -2.971 -18.951 1.00 0.00 C ATOM 215 C CYS A 13 19.430 -3.850 -18.755 1.00 0.00 C ATOM 216 O CYS A 13 18.426 -3.628 -19.426 1.00 0.00 O ATOM 217 CB CYS A 13 21.405 -3.248 -20.279 1.00 0.00 C ATOM 218 SG CYS A 13 22.675 -1.978 -20.569 1.00 0.00 S ATOM 0 H CYS A 13 22.499 -3.528 -18.047 1.00 0.00 H new ATOM 0 HA CYS A 13 20.320 -1.944 -18.994 1.00 0.00 H new ATOM 0 HB2 CYS A 13 21.865 -4.236 -20.253 1.00 0.00 H new ATOM 0 HB3 CYS A 13 20.688 -3.252 -21.100 1.00 0.00 H new ATOM 0 HG CYS A 13 23.283 -2.221 -21.692 1.00 0.00 H new ATOM 224 N ARG A 14 19.465 -4.815 -17.815 1.00 0.00 N ATOM 225 CA ARG A 14 18.276 -5.561 -17.362 1.00 0.00 C ATOM 226 C ARG A 14 17.688 -4.884 -16.112 1.00 0.00 C ATOM 227 O ARG A 14 16.587 -4.353 -16.161 1.00 0.00 O ATOM 228 CB ARG A 14 18.568 -7.074 -17.164 1.00 0.00 C ATOM 229 CG ARG A 14 19.587 -7.723 -18.120 1.00 0.00 C ATOM 230 CD ARG A 14 19.194 -7.734 -19.604 1.00 0.00 C ATOM 231 NE ARG A 14 20.257 -8.374 -20.408 1.00 0.00 N ATOM 232 CZ ARG A 14 20.531 -9.662 -20.532 1.00 0.00 C ATOM 233 NH1 ARG A 14 19.796 -10.607 -20.016 1.00 0.00 N ATOM 234 NH2 ARG A 14 21.603 -10.006 -21.179 1.00 0.00 N ATOM 0 H ARG A 14 20.325 -5.100 -17.346 1.00 0.00 H new ATOM 0 HA ARG A 14 17.519 -5.526 -18.145 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.922 -7.220 -16.143 1.00 0.00 H new ATOM 0 HB3 ARG A 14 17.626 -7.615 -17.255 1.00 0.00 H new ATOM 0 HG2 ARG A 14 20.537 -7.199 -18.019 1.00 0.00 H new ATOM 0 HG3 ARG A 14 19.754 -8.751 -17.800 1.00 0.00 H new ATOM 0 HD2 ARG A 14 18.255 -8.272 -19.735 1.00 0.00 H new ATOM 0 HD3 ARG A 14 19.029 -6.714 -19.952 1.00 0.00 H new ATOM 0 HE ARG A 14 20.857 -7.740 -20.936 1.00 0.00 H new ATOM 0 HH11 ARG A 14 18.959 -10.369 -19.483 1.00 0.00 H new ATOM 0 HH12 ARG A 14 20.058 -11.584 -20.145 1.00 0.00 H new ATOM 0 HH21 ARG A 14 22.210 -9.290 -21.577 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.838 -10.992 -21.289 1.00 0.00 H new ATOM 248 N SER A 15 18.428 -4.859 -14.999 1.00 0.00 N ATOM 249 CA SER A 15 17.923 -4.440 -13.673 1.00 0.00 C ATOM 250 C SER A 15 17.655 -2.939 -13.555 1.00 0.00 C ATOM 251 O SER A 15 16.530 -2.516 -13.296 1.00 0.00 O ATOM 252 CB SER A 15 18.919 -4.881 -12.599 1.00 0.00 C ATOM 253 OG SER A 15 20.195 -4.405 -12.997 1.00 0.00 O ATOM 0 H SER A 15 19.411 -5.132 -14.986 1.00 0.00 H new ATOM 0 HA SER A 15 16.957 -4.925 -13.535 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.642 -4.475 -11.626 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.925 -5.967 -12.501 1.00 0.00 H new ATOM 0 HG SER A 15 20.796 -5.165 -13.146 1.00 0.00 H new ATOM 259 N GLN A 16 18.684 -2.115 -13.749 1.00 0.00 N ATOM 260 CA GLN A 16 18.608 -0.665 -13.520 1.00 0.00 C ATOM 261 C GLN A 16 17.805 0.043 -14.613 1.00 0.00 C ATOM 262 O GLN A 16 17.145 1.046 -14.337 1.00 0.00 O ATOM 263 CB GLN A 16 20.017 -0.072 -13.319 1.00 0.00 C ATOM 264 CG GLN A 16 20.844 -0.816 -12.248 1.00 0.00 C ATOM 265 CD GLN A 16 21.539 0.116 -11.256 1.00 0.00 C ATOM 266 OE1 GLN A 16 22.613 0.646 -11.487 1.00 0.00 O ATOM 267 NE2 GLN A 16 20.951 0.326 -10.100 1.00 0.00 N ATOM 0 H GLN A 16 19.599 -2.431 -14.071 1.00 0.00 H new ATOM 0 HA GLN A 16 18.057 -0.491 -12.596 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.554 -0.099 -14.267 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.926 0.976 -13.035 1.00 0.00 H new ATOM 0 HG2 GLN A 16 20.188 -1.493 -11.700 1.00 0.00 H new ATOM 0 HG3 GLN A 16 21.595 -1.431 -12.743 1.00 0.00 H new ATOM 0 HE21 GLN A 16 20.053 -0.113 -9.898 1.00 0.00 H new ATOM 0 HE22 GLN A 16 21.393 0.928 -9.405 1.00 0.00 H new ATOM 276 N MET A 17 17.762 -0.530 -15.821 1.00 0.00 N ATOM 277 CA MET A 17 16.879 -0.057 -16.892 1.00 0.00 C ATOM 278 C MET A 17 15.400 -0.387 -16.636 1.00 0.00 C ATOM 279 O MET A 17 14.544 0.460 -16.885 1.00 0.00 O ATOM 280 CB MET A 17 17.364 -0.601 -18.243 1.00 0.00 C ATOM 281 CG MET A 17 16.831 0.219 -19.424 1.00 0.00 C ATOM 282 SD MET A 17 17.483 1.913 -19.482 1.00 0.00 S ATOM 283 CE MET A 17 16.132 2.885 -18.748 1.00 0.00 C ATOM 0 H MET A 17 18.336 -1.331 -16.083 1.00 0.00 H new ATOM 0 HA MET A 17 16.933 1.031 -16.913 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.454 -0.598 -18.264 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.046 -1.638 -18.350 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.083 -0.291 -20.354 1.00 0.00 H new ATOM 0 HG3 MET A 17 15.743 0.258 -19.367 1.00 0.00 H new ATOM 0 HE1 MET A 17 16.396 3.942 -18.760 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.219 2.732 -19.324 1.00 0.00 H new ATOM 0 HE3 MET A 17 15.970 2.564 -17.719 1.00 0.00 H new ATOM 293 N ALA A 18 15.094 -1.559 -16.064 1.00 0.00 N ATOM 294 CA ALA A 18 13.745 -1.881 -15.583 1.00 0.00 C ATOM 295 C ALA A 18 13.312 -0.924 -14.463 1.00 0.00 C ATOM 296 O ALA A 18 12.197 -0.417 -14.514 1.00 0.00 O ATOM 297 CB ALA A 18 13.690 -3.355 -15.168 1.00 0.00 C ATOM 0 H ALA A 18 15.772 -2.308 -15.922 1.00 0.00 H new ATOM 0 HA ALA A 18 13.025 -1.738 -16.389 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.689 -3.595 -14.811 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.930 -3.984 -16.026 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.412 -3.536 -14.372 1.00 0.00 H new ATOM 303 N GLU A 19 14.209 -0.559 -13.532 1.00 0.00 N ATOM 304 CA GLU A 19 13.926 0.521 -12.571 1.00 0.00 C ATOM 305 C GLU A 19 13.604 1.843 -13.282 1.00 0.00 C ATOM 306 O GLU A 19 12.633 2.492 -12.905 1.00 0.00 O ATOM 307 CB GLU A 19 15.056 0.694 -11.532 1.00 0.00 C ATOM 308 CG GLU A 19 14.956 2.032 -10.761 1.00 0.00 C ATOM 309 CD GLU A 19 15.939 2.185 -9.585 1.00 0.00 C ATOM 310 OE1 GLU A 19 16.762 1.272 -9.348 1.00 0.00 O ATOM 311 OE2 GLU A 19 15.897 3.237 -8.904 1.00 0.00 O ATOM 0 H GLU A 19 15.127 -0.990 -13.424 1.00 0.00 H new ATOM 0 HA GLU A 19 13.035 0.222 -12.018 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.022 -0.133 -10.823 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.020 0.641 -12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.122 2.850 -11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.940 2.139 -10.381 1.00 0.00 H new ATOM 318 N GLY A 20 14.355 2.231 -14.320 1.00 0.00 N ATOM 319 CA GLY A 20 14.123 3.484 -15.057 1.00 0.00 C ATOM 320 C GLY A 20 12.717 3.594 -15.648 1.00 0.00 C ATOM 321 O GLY A 20 12.009 4.565 -15.385 1.00 0.00 O ATOM 0 H GLY A 20 15.141 1.687 -14.674 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.294 4.327 -14.387 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.854 3.563 -15.862 1.00 0.00 H new ATOM 325 N PHE A 21 12.254 2.578 -16.383 1.00 0.00 N ATOM 326 CA PHE A 21 10.876 2.580 -16.907 1.00 0.00 C ATOM 327 C PHE A 21 9.841 2.432 -15.783 1.00 0.00 C ATOM 328 O PHE A 21 8.850 3.159 -15.768 1.00 0.00 O ATOM 329 CB PHE A 21 10.715 1.524 -18.019 1.00 0.00 C ATOM 330 CG PHE A 21 11.338 1.930 -19.337 1.00 0.00 C ATOM 331 CD1 PHE A 21 10.620 2.774 -20.204 1.00 0.00 C ATOM 332 CD2 PHE A 21 12.618 1.477 -19.702 1.00 0.00 C ATOM 333 CE1 PHE A 21 11.198 3.204 -21.409 1.00 0.00 C ATOM 334 CE2 PHE A 21 13.194 1.906 -20.911 1.00 0.00 C ATOM 335 CZ PHE A 21 12.497 2.797 -21.748 1.00 0.00 C ATOM 0 H PHE A 21 12.801 1.753 -16.628 1.00 0.00 H new ATOM 0 HA PHE A 21 10.682 3.551 -17.362 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.165 0.588 -17.687 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.653 1.330 -18.173 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.622 3.092 -19.942 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.158 0.801 -19.055 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.643 3.848 -22.075 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.173 1.551 -21.198 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.961 3.167 -22.650 1.00 0.00 H new ATOM 345 N ALA A 22 10.087 1.573 -14.788 1.00 0.00 N ATOM 346 CA ALA A 22 9.150 1.364 -13.680 1.00 0.00 C ATOM 347 C ALA A 22 8.952 2.607 -12.801 1.00 0.00 C ATOM 348 O ALA A 22 7.819 2.929 -12.464 1.00 0.00 O ATOM 349 CB ALA A 22 9.638 0.178 -12.846 1.00 0.00 C ATOM 0 H ALA A 22 10.934 1.008 -14.728 1.00 0.00 H new ATOM 0 HA ALA A 22 8.170 1.155 -14.108 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.951 0.009 -12.017 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.679 -0.714 -13.471 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.633 0.393 -12.455 1.00 0.00 H new ATOM 355 N LYS A 23 10.017 3.345 -12.462 1.00 0.00 N ATOM 356 CA LYS A 23 9.923 4.557 -11.623 1.00 0.00 C ATOM 357 C LYS A 23 9.271 5.730 -12.363 1.00 0.00 C ATOM 358 O LYS A 23 8.627 6.560 -11.733 1.00 0.00 O ATOM 359 CB LYS A 23 11.305 4.904 -11.025 1.00 0.00 C ATOM 360 CG LYS A 23 12.224 5.697 -11.967 1.00 0.00 C ATOM 361 CD LYS A 23 13.619 5.921 -11.366 1.00 0.00 C ATOM 362 CE LYS A 23 14.356 6.976 -12.203 1.00 0.00 C ATOM 363 NZ LYS A 23 15.778 7.115 -11.791 1.00 0.00 N ATOM 0 H LYS A 23 10.968 3.123 -12.758 1.00 0.00 H new ATOM 0 HA LYS A 23 9.254 4.344 -10.789 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.158 5.480 -10.111 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.807 3.979 -10.741 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.319 5.163 -12.913 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.767 6.661 -12.190 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.535 6.252 -10.331 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.180 4.987 -11.357 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.308 6.702 -13.257 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.853 7.937 -12.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.250 7.812 -12.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.823 7.434 -10.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.257 6.196 -11.880 1.00 0.00 H new ATOM 377 N THR A 24 9.402 5.778 -13.694 1.00 0.00 N ATOM 378 CA THR A 24 8.793 6.833 -14.534 1.00 0.00 C ATOM 379 C THR A 24 7.302 6.574 -14.780 1.00 0.00 C ATOM 380 O THR A 24 6.493 7.494 -14.681 1.00 0.00 O ATOM 381 CB THR A 24 9.534 6.991 -15.875 1.00 0.00 C ATOM 382 OG1 THR A 24 10.927 7.107 -15.670 1.00 0.00 O ATOM 383 CG2 THR A 24 9.116 8.260 -16.618 1.00 0.00 C ATOM 0 H THR A 24 9.933 5.088 -14.226 1.00 0.00 H new ATOM 0 HA THR A 24 8.889 7.766 -13.979 1.00 0.00 H new ATOM 0 HB THR A 24 9.280 6.104 -16.455 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.315 6.215 -15.551 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.664 8.329 -17.557 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.046 8.225 -16.824 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.339 9.132 -16.003 1.00 0.00 H new ATOM 391 N LEU A 25 6.917 5.319 -15.062 1.00 0.00 N ATOM 392 CA LEU A 25 5.533 4.942 -15.419 1.00 0.00 C ATOM 393 C LEU A 25 4.685 4.570 -14.194 1.00 0.00 C ATOM 394 O LEU A 25 3.488 4.850 -14.145 1.00 0.00 O ATOM 395 CB LEU A 25 5.572 3.796 -16.447 1.00 0.00 C ATOM 396 CG LEU A 25 6.377 4.136 -17.713 1.00 0.00 C ATOM 397 CD1 LEU A 25 6.464 2.911 -18.612 1.00 0.00 C ATOM 398 CD2 LEU A 25 5.776 5.282 -18.530 1.00 0.00 C ATOM 0 H LEU A 25 7.561 4.528 -15.049 1.00 0.00 H new ATOM 0 HA LEU A 25 5.046 5.811 -15.861 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.004 2.912 -15.978 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.552 3.539 -16.732 1.00 0.00 H new ATOM 0 HG LEU A 25 7.361 4.453 -17.368 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.035 3.157 -19.507 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.959 2.101 -18.076 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.460 2.597 -18.897 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.395 5.467 -19.408 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.768 5.013 -18.847 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.736 6.183 -17.918 1.00 0.00 H new ATOM 410 N GLY A 26 5.327 3.981 -13.182 1.00 0.00 N ATOM 411 CA GLY A 26 4.778 3.731 -11.844 1.00 0.00 C ATOM 412 C GLY A 26 4.960 4.894 -10.874 1.00 0.00 C ATOM 413 O GLY A 26 4.726 4.709 -9.679 1.00 0.00 O ATOM 0 H GLY A 26 6.287 3.650 -13.276 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.715 3.509 -11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.255 2.844 -11.426 1.00 0.00 H new ATOM 417 N ALA A 27 5.380 6.072 -11.359 1.00 0.00 N ATOM 418 CA ALA A 27 5.485 7.286 -10.541 1.00 0.00 C ATOM 419 C ALA A 27 4.201 7.528 -9.713 1.00 0.00 C ATOM 420 O ALA A 27 3.108 7.677 -10.267 1.00 0.00 O ATOM 421 CB ALA A 27 5.788 8.485 -11.455 1.00 0.00 C ATOM 0 H ALA A 27 5.656 6.208 -12.331 1.00 0.00 H new ATOM 0 HA ALA A 27 6.300 7.160 -9.828 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.867 9.390 -10.853 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.728 8.314 -11.979 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.984 8.601 -12.181 1.00 0.00 H new ATOM 427 N GLY A 28 4.333 7.543 -8.380 1.00 0.00 N ATOM 428 CA GLY A 28 3.210 7.719 -7.447 1.00 0.00 C ATOM 429 C GLY A 28 2.317 6.486 -7.227 1.00 0.00 C ATOM 430 O GLY A 28 1.233 6.633 -6.658 1.00 0.00 O ATOM 0 H GLY A 28 5.233 7.432 -7.913 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.610 8.030 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.586 8.535 -7.811 1.00 0.00 H new ATOM 434 N LYS A 29 2.739 5.283 -7.656 1.00 0.00 N ATOM 435 CA LYS A 29 1.965 4.029 -7.531 1.00 0.00 C ATOM 436 C LYS A 29 2.717 2.991 -6.710 1.00 0.00 C ATOM 437 O LYS A 29 2.133 2.325 -5.859 1.00 0.00 O ATOM 438 CB LYS A 29 1.638 3.465 -8.925 1.00 0.00 C ATOM 439 CG LYS A 29 0.830 4.458 -9.780 1.00 0.00 C ATOM 440 CD LYS A 29 0.444 3.880 -11.146 1.00 0.00 C ATOM 441 CE LYS A 29 -0.367 4.921 -11.936 1.00 0.00 C ATOM 442 NZ LYS A 29 -0.773 4.417 -13.279 1.00 0.00 N ATOM 0 H LYS A 29 3.644 5.150 -8.108 1.00 0.00 H new ATOM 0 HA LYS A 29 1.036 4.260 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.565 3.215 -9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.074 2.539 -8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.074 4.744 -9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.415 5.366 -9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.340 3.604 -11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.142 2.971 -11.015 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.256 5.194 -11.368 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.226 5.828 -12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.317 5.151 -13.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.075 4.181 -13.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.361 3.567 -13.167 1.00 0.00 H new ATOM 456 N ILE A 30 4.025 2.894 -6.955 1.00 0.00 N ATOM 457 CA ILE A 30 4.972 2.043 -6.234 1.00 0.00 C ATOM 458 C ILE A 30 6.345 2.715 -6.072 1.00 0.00 C ATOM 459 O ILE A 30 6.707 3.627 -6.817 1.00 0.00 O ATOM 460 CB ILE A 30 5.104 0.651 -6.902 1.00 0.00 C ATOM 461 CG1 ILE A 30 4.995 0.573 -8.443 1.00 0.00 C ATOM 462 CG2 ILE A 30 4.078 -0.326 -6.301 1.00 0.00 C ATOM 463 CD1 ILE A 30 6.128 1.293 -9.176 1.00 0.00 C ATOM 0 H ILE A 30 4.473 3.432 -7.696 1.00 0.00 H new ATOM 0 HA ILE A 30 4.567 1.896 -5.233 1.00 0.00 H new ATOM 0 HB ILE A 30 6.138 0.383 -6.683 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.986 -0.474 -8.745 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.042 1.002 -8.753 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.181 -1.301 -6.778 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.255 -0.426 -5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.071 0.056 -6.468 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.985 1.196 -10.252 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.125 2.348 -8.904 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.083 0.849 -8.895 1.00 0.00 H new ATOM 475 N ALA A 31 7.118 2.238 -5.095 1.00 0.00 N ATOM 476 CA ALA A 31 8.534 2.587 -4.919 1.00 0.00 C ATOM 477 C ALA A 31 9.400 1.603 -5.720 1.00 0.00 C ATOM 478 O ALA A 31 8.978 0.472 -5.960 1.00 0.00 O ATOM 479 CB ALA A 31 8.875 2.607 -3.420 1.00 0.00 C ATOM 0 H ALA A 31 6.774 1.586 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 31 8.740 3.586 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.926 2.866 -3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.253 3.347 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.688 1.623 -2.991 1.00 0.00 H new ATOM 485 N VAL A 32 10.603 1.994 -6.149 1.00 0.00 N ATOM 486 CA VAL A 32 11.452 1.168 -7.036 1.00 0.00 C ATOM 487 C VAL A 32 12.940 1.252 -6.685 1.00 0.00 C ATOM 488 O VAL A 32 13.451 2.328 -6.380 1.00 0.00 O ATOM 489 CB VAL A 32 11.260 1.542 -8.522 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.870 0.463 -9.417 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.787 1.630 -8.938 1.00 0.00 C ATOM 0 H VAL A 32 11.022 2.889 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 32 11.123 0.141 -6.876 1.00 0.00 H new ATOM 0 HB VAL A 32 11.738 2.515 -8.637 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.730 0.736 -10.463 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.935 0.374 -9.205 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.380 -0.491 -9.222 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.722 1.896 -9.993 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.305 0.666 -8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.285 2.391 -8.340 1.00 0.00 H new ATOM 501 N THR A 33 13.630 0.112 -6.789 1.00 0.00 N ATOM 502 CA THR A 33 15.090 -0.043 -6.650 1.00 0.00 C ATOM 503 C THR A 33 15.580 -1.152 -7.592 1.00 0.00 C ATOM 504 O THR A 33 14.788 -1.965 -8.072 1.00 0.00 O ATOM 505 CB THR A 33 15.454 -0.378 -5.189 1.00 0.00 C ATOM 506 OG1 THR A 33 14.790 0.492 -4.286 1.00 0.00 O ATOM 507 CG2 THR A 33 16.941 -0.279 -4.844 1.00 0.00 C ATOM 0 H THR A 33 13.166 -0.776 -6.982 1.00 0.00 H new ATOM 0 HA THR A 33 15.578 0.894 -6.919 1.00 0.00 H new ATOM 0 HB THR A 33 15.143 -1.418 -5.090 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.153 0.367 -3.384 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.089 -0.534 -3.795 1.00 0.00 H new ATOM 0 HG22 THR A 33 17.506 -0.971 -5.469 1.00 0.00 H new ATOM 0 HG23 THR A 33 17.289 0.738 -5.023 1.00 0.00 H new ATOM 515 N SER A 34 16.882 -1.227 -7.863 1.00 0.00 N ATOM 516 CA SER A 34 17.489 -2.292 -8.671 1.00 0.00 C ATOM 517 C SER A 34 18.842 -2.751 -8.117 1.00 0.00 C ATOM 518 O SER A 34 19.535 -2.002 -7.429 1.00 0.00 O ATOM 519 CB SER A 34 17.606 -1.843 -10.127 1.00 0.00 C ATOM 520 OG SER A 34 18.275 -0.602 -10.205 1.00 0.00 O ATOM 0 H SER A 34 17.557 -0.542 -7.524 1.00 0.00 H new ATOM 0 HA SER A 34 16.831 -3.159 -8.622 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.148 -2.593 -10.703 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.613 -1.757 -10.569 1.00 0.00 H new ATOM 0 HG SER A 34 17.626 0.126 -10.108 1.00 0.00 H new ATOM 526 N CYS A 35 19.203 -4.006 -8.406 1.00 0.00 N ATOM 527 CA CYS A 35 20.343 -4.692 -7.798 1.00 0.00 C ATOM 528 C CYS A 35 20.928 -5.755 -8.751 1.00 0.00 C ATOM 529 O CYS A 35 20.213 -6.335 -9.567 1.00 0.00 O ATOM 530 CB CYS A 35 19.834 -5.278 -6.461 1.00 0.00 C ATOM 531 SG CYS A 35 20.979 -6.496 -5.751 1.00 0.00 S ATOM 0 H CYS A 35 18.700 -4.582 -9.082 1.00 0.00 H new ATOM 0 HA CYS A 35 21.172 -4.011 -7.606 1.00 0.00 H new ATOM 0 HB2 CYS A 35 19.683 -4.468 -5.748 1.00 0.00 H new ATOM 0 HB3 CYS A 35 18.863 -5.747 -6.620 1.00 0.00 H new ATOM 0 HG CYS A 35 22.146 -5.949 -5.584 1.00 0.00 H new ATOM 537 N GLY A 36 22.230 -6.020 -8.647 1.00 0.00 N ATOM 538 CA GLY A 36 22.924 -7.121 -9.317 1.00 0.00 C ATOM 539 C GLY A 36 23.605 -8.018 -8.283 1.00 0.00 C ATOM 540 O GLY A 36 24.270 -7.506 -7.384 1.00 0.00 O ATOM 0 H GLY A 36 22.854 -5.453 -8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 36 22.215 -7.704 -9.905 1.00 0.00 H new ATOM 0 HA3 GLY A 36 23.665 -6.725 -10.011 1.00 0.00 H new ATOM 544 N LEU A 37 23.472 -9.344 -8.408 1.00 0.00 N ATOM 545 CA LEU A 37 24.088 -10.319 -7.485 1.00 0.00 C ATOM 546 C LEU A 37 25.592 -10.065 -7.260 1.00 0.00 C ATOM 547 O LEU A 37 26.093 -10.251 -6.151 1.00 0.00 O ATOM 548 CB LEU A 37 23.929 -11.757 -8.021 1.00 0.00 C ATOM 549 CG LEU A 37 22.500 -12.300 -8.186 1.00 0.00 C ATOM 550 CD1 LEU A 37 22.573 -13.762 -8.633 1.00 0.00 C ATOM 551 CD2 LEU A 37 21.687 -12.249 -6.895 1.00 0.00 C ATOM 0 H LEU A 37 22.931 -9.779 -9.156 1.00 0.00 H new ATOM 0 HA LEU A 37 23.565 -10.196 -6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 37 24.423 -11.811 -8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 37 24.468 -12.427 -7.351 1.00 0.00 H new ATOM 0 HG LEU A 37 22.005 -11.667 -8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.564 -14.157 -8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.103 -13.826 -9.583 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.104 -14.346 -7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.688 -12.646 -7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 37 22.181 -12.848 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 37 21.610 -11.217 -6.554 1.00 0.00 H new ATOM 563 N GLU A 38 26.292 -9.623 -8.308 1.00 0.00 N ATOM 564 CA GLU A 38 27.740 -9.373 -8.335 1.00 0.00 C ATOM 565 C GLU A 38 28.080 -7.889 -8.636 1.00 0.00 C ATOM 566 O GLU A 38 29.138 -7.600 -9.208 1.00 0.00 O ATOM 567 CB GLU A 38 28.393 -10.352 -9.331 1.00 0.00 C ATOM 568 CG GLU A 38 28.150 -11.835 -9.019 1.00 0.00 C ATOM 569 CD GLU A 38 28.867 -12.719 -10.054 1.00 0.00 C ATOM 570 OE1 GLU A 38 28.621 -12.547 -11.273 1.00 0.00 O ATOM 571 OE2 GLU A 38 29.706 -13.569 -9.670 1.00 0.00 O ATOM 0 H GLU A 38 25.847 -9.420 -9.203 1.00 0.00 H new ATOM 0 HA GLU A 38 28.154 -9.555 -7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 38 28.016 -10.138 -10.331 1.00 0.00 H new ATOM 0 HB3 GLU A 38 29.467 -10.169 -9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 38 28.512 -12.068 -8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.081 -12.046 -9.028 1.00 0.00 H new ATOM 578 N SER A 39 27.188 -6.957 -8.254 1.00 0.00 N ATOM 579 CA SER A 39 27.212 -5.518 -8.610 1.00 0.00 C ATOM 580 C SER A 39 27.028 -5.238 -10.115 1.00 0.00 C ATOM 581 O SER A 39 27.051 -6.147 -10.943 1.00 0.00 O ATOM 582 CB SER A 39 28.474 -4.808 -8.080 1.00 0.00 C ATOM 583 OG SER A 39 28.744 -5.127 -6.729 1.00 0.00 O ATOM 0 H SER A 39 26.392 -7.193 -7.661 1.00 0.00 H new ATOM 0 HA SER A 39 26.340 -5.098 -8.109 1.00 0.00 H new ATOM 0 HB2 SER A 39 29.330 -5.087 -8.695 1.00 0.00 H new ATOM 0 HB3 SER A 39 28.349 -3.730 -8.178 1.00 0.00 H new ATOM 0 HG SER A 39 29.552 -4.656 -6.437 1.00 0.00 H new ATOM 589 N SER A 40 26.804 -3.969 -10.487 1.00 0.00 N ATOM 590 CA SER A 40 26.759 -3.503 -11.893 1.00 0.00 C ATOM 591 C SER A 40 26.871 -1.964 -12.002 1.00 0.00 C ATOM 592 O SER A 40 26.839 -1.264 -10.986 1.00 0.00 O ATOM 593 CB SER A 40 25.466 -3.992 -12.559 1.00 0.00 C ATOM 594 OG SER A 40 25.575 -3.841 -13.968 1.00 0.00 O ATOM 0 H SER A 40 26.646 -3.220 -9.813 1.00 0.00 H new ATOM 0 HA SER A 40 27.621 -3.924 -12.411 1.00 0.00 H new ATOM 0 HB2 SER A 40 25.287 -5.037 -12.307 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.614 -3.423 -12.186 1.00 0.00 H new ATOM 0 HG SER A 40 25.075 -3.047 -14.252 1.00 0.00 H new ATOM 600 N ARG A 41 26.975 -1.427 -13.227 1.00 0.00 N ATOM 601 CA ARG A 41 26.946 0.021 -13.535 1.00 0.00 C ATOM 602 C ARG A 41 26.033 0.365 -14.705 1.00 0.00 C ATOM 603 O ARG A 41 25.937 -0.382 -15.676 1.00 0.00 O ATOM 604 CB ARG A 41 28.371 0.568 -13.776 1.00 0.00 C ATOM 605 CG ARG A 41 29.104 -0.055 -14.985 1.00 0.00 C ATOM 606 CD ARG A 41 29.996 0.982 -15.677 1.00 0.00 C ATOM 607 NE ARG A 41 30.792 0.374 -16.763 1.00 0.00 N ATOM 608 CZ ARG A 41 31.652 0.993 -17.554 1.00 0.00 C ATOM 609 NH1 ARG A 41 31.895 2.270 -17.452 1.00 0.00 N ATOM 610 NH2 ARG A 41 32.293 0.332 -18.477 1.00 0.00 N ATOM 0 H ARG A 41 27.085 -2.003 -14.062 1.00 0.00 H new ATOM 0 HA ARG A 41 26.526 0.510 -12.656 1.00 0.00 H new ATOM 0 HB2 ARG A 41 28.312 1.647 -13.920 1.00 0.00 H new ATOM 0 HB3 ARG A 41 28.967 0.398 -12.880 1.00 0.00 H new ATOM 0 HG2 ARG A 41 29.710 -0.898 -14.653 1.00 0.00 H new ATOM 0 HG3 ARG A 41 28.375 -0.446 -15.695 1.00 0.00 H new ATOM 0 HD2 ARG A 41 29.377 1.783 -16.082 1.00 0.00 H new ATOM 0 HD3 ARG A 41 30.664 1.435 -14.945 1.00 0.00 H new ATOM 0 HE ARG A 41 30.665 -0.626 -16.919 1.00 0.00 H new ATOM 0 HH11 ARG A 41 31.415 2.826 -16.744 1.00 0.00 H new ATOM 0 HH12 ARG A 41 32.565 2.713 -18.080 1.00 0.00 H new ATOM 0 HH21 ARG A 41 32.132 -0.669 -18.592 1.00 0.00 H new ATOM 0 HH22 ARG A 41 32.955 0.816 -19.084 1.00 0.00 H new ATOM 624 N VAL A 42 25.419 1.545 -14.635 1.00 0.00 N ATOM 625 CA VAL A 42 24.619 2.094 -15.736 1.00 0.00 C ATOM 626 C VAL A 42 25.483 2.389 -16.974 1.00 0.00 C ATOM 627 O VAL A 42 26.621 2.848 -16.868 1.00 0.00 O ATOM 628 CB VAL A 42 23.795 3.316 -15.295 1.00 0.00 C ATOM 629 CG1 VAL A 42 22.704 2.891 -14.305 1.00 0.00 C ATOM 630 CG2 VAL A 42 24.610 4.465 -14.694 1.00 0.00 C ATOM 0 H VAL A 42 25.460 2.150 -13.815 1.00 0.00 H new ATOM 0 HA VAL A 42 23.902 1.326 -16.027 1.00 0.00 H new ATOM 0 HB VAL A 42 23.359 3.709 -16.214 1.00 0.00 H new ATOM 0 HG11 VAL A 42 22.128 3.765 -14.001 1.00 0.00 H new ATOM 0 HG12 VAL A 42 22.042 2.168 -14.782 1.00 0.00 H new ATOM 0 HG13 VAL A 42 23.165 2.437 -13.428 1.00 0.00 H new ATOM 0 HG21 VAL A 42 23.941 5.279 -14.415 1.00 0.00 H new ATOM 0 HG22 VAL A 42 25.140 4.111 -13.810 1.00 0.00 H new ATOM 0 HG23 VAL A 42 25.330 4.824 -15.429 1.00 0.00 H new ATOM 640 N HIS A 43 24.933 2.091 -18.154 1.00 0.00 N ATOM 641 CA HIS A 43 25.642 2.088 -19.442 1.00 0.00 C ATOM 642 C HIS A 43 25.311 3.337 -20.272 1.00 0.00 C ATOM 643 O HIS A 43 24.132 3.526 -20.571 1.00 0.00 O ATOM 644 CB HIS A 43 25.243 0.804 -20.182 1.00 0.00 C ATOM 645 CG HIS A 43 25.897 0.653 -21.531 1.00 0.00 C ATOM 646 ND1 HIS A 43 27.273 0.736 -21.756 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.261 0.369 -22.709 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.447 0.465 -23.058 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.263 0.236 -23.649 1.00 0.00 N ATOM 0 H HIS A 43 23.950 1.836 -18.245 1.00 0.00 H new ATOM 0 HA HIS A 43 26.719 2.112 -19.277 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.502 -0.056 -19.564 1.00 0.00 H new ATOM 0 HB3 HIS A 43 24.161 0.790 -20.309 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.198 0.270 -22.870 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.403 0.435 -23.560 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.126 0.002 -24.632 1.00 0.00 H new ATOM 657 N PRO A 44 26.280 4.178 -20.690 1.00 0.00 N ATOM 658 CA PRO A 44 26.009 5.460 -21.354 1.00 0.00 C ATOM 659 C PRO A 44 25.078 5.384 -22.573 1.00 0.00 C ATOM 660 O PRO A 44 24.203 6.239 -22.730 1.00 0.00 O ATOM 661 CB PRO A 44 27.385 6.019 -21.734 1.00 0.00 C ATOM 662 CG PRO A 44 28.282 5.474 -20.627 1.00 0.00 C ATOM 663 CD PRO A 44 27.705 4.084 -20.383 1.00 0.00 C ATOM 0 HA PRO A 44 25.458 6.106 -20.671 1.00 0.00 H new ATOM 0 HB2 PRO A 44 27.703 5.678 -22.719 1.00 0.00 H new ATOM 0 HB3 PRO A 44 27.387 7.109 -21.758 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.326 5.430 -20.936 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.241 6.093 -19.731 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.192 3.343 -21.017 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.862 3.773 -19.350 1.00 0.00 H new ATOM 671 N THR A 45 25.186 4.331 -23.393 1.00 0.00 N ATOM 672 CA THR A 45 24.272 4.118 -24.533 1.00 0.00 C ATOM 673 C THR A 45 22.841 3.884 -24.062 1.00 0.00 C ATOM 674 O THR A 45 21.919 4.459 -24.630 1.00 0.00 O ATOM 675 CB THR A 45 24.738 2.959 -25.433 1.00 0.00 C ATOM 676 OG1 THR A 45 26.062 3.214 -25.861 1.00 0.00 O ATOM 677 CG2 THR A 45 23.869 2.777 -26.683 1.00 0.00 C ATOM 0 H THR A 45 25.899 3.608 -23.291 1.00 0.00 H new ATOM 0 HA THR A 45 24.292 5.031 -25.128 1.00 0.00 H new ATOM 0 HB THR A 45 24.664 2.049 -24.837 1.00 0.00 H new ATOM 0 HG1 THR A 45 26.368 2.480 -26.434 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.251 1.944 -27.274 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.842 2.569 -26.385 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.896 3.688 -27.281 1.00 0.00 H new ATOM 685 N ALA A 46 22.627 3.129 -22.977 1.00 0.00 N ATOM 686 CA ALA A 46 21.287 2.946 -22.411 1.00 0.00 C ATOM 687 C ALA A 46 20.706 4.269 -21.890 1.00 0.00 C ATOM 688 O ALA A 46 19.559 4.581 -22.192 1.00 0.00 O ATOM 689 CB ALA A 46 21.327 1.857 -21.325 1.00 0.00 C ATOM 0 H ALA A 46 23.365 2.636 -22.475 1.00 0.00 H new ATOM 0 HA ALA A 46 20.614 2.612 -23.201 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.329 1.724 -20.907 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.665 0.918 -21.764 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.015 2.157 -20.534 1.00 0.00 H new ATOM 695 N ILE A 47 21.510 5.098 -21.209 1.00 0.00 N ATOM 696 CA ILE A 47 21.072 6.439 -20.767 1.00 0.00 C ATOM 697 C ILE A 47 20.555 7.239 -21.980 1.00 0.00 C ATOM 698 O ILE A 47 19.407 7.684 -21.994 1.00 0.00 O ATOM 699 CB ILE A 47 22.190 7.217 -20.024 1.00 0.00 C ATOM 700 CG1 ILE A 47 22.922 6.350 -18.974 1.00 0.00 C ATOM 701 CG2 ILE A 47 21.575 8.459 -19.355 1.00 0.00 C ATOM 702 CD1 ILE A 47 24.039 7.058 -18.200 1.00 0.00 C ATOM 0 H ILE A 47 22.469 4.867 -20.950 1.00 0.00 H new ATOM 0 HA ILE A 47 20.264 6.305 -20.048 1.00 0.00 H new ATOM 0 HB ILE A 47 22.939 7.512 -20.759 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.188 5.978 -18.260 1.00 0.00 H new ATOM 0 HG13 ILE A 47 23.346 5.481 -19.477 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.354 9.013 -18.830 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.126 9.097 -20.116 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.809 8.148 -18.645 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.487 6.363 -17.490 1.00 0.00 H new ATOM 0 HD12 ILE A 47 24.801 7.406 -18.897 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.625 7.910 -17.661 1.00 0.00 H new ATOM 714 N ALA A 48 21.352 7.334 -23.048 1.00 0.00 N ATOM 715 CA ALA A 48 21.007 8.129 -24.228 1.00 0.00 C ATOM 716 C ALA A 48 19.811 7.560 -25.019 1.00 0.00 C ATOM 717 O ALA A 48 18.960 8.319 -25.486 1.00 0.00 O ATOM 718 CB ALA A 48 22.260 8.236 -25.106 1.00 0.00 C ATOM 0 H ALA A 48 22.254 6.862 -23.118 1.00 0.00 H new ATOM 0 HA ALA A 48 20.682 9.116 -23.901 1.00 0.00 H new ATOM 0 HB1 ALA A 48 22.032 8.824 -25.995 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.058 8.722 -24.544 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.582 7.238 -25.404 1.00 0.00 H new ATOM 724 N MET A 49 19.706 6.231 -25.128 1.00 0.00 N ATOM 725 CA MET A 49 18.607 5.542 -25.819 1.00 0.00 C ATOM 726 C MET A 49 17.256 5.696 -25.109 1.00 0.00 C ATOM 727 O MET A 49 16.224 5.577 -25.771 1.00 0.00 O ATOM 728 CB MET A 49 18.947 4.050 -25.983 1.00 0.00 C ATOM 729 CG MET A 49 20.073 3.782 -26.992 1.00 0.00 C ATOM 730 SD MET A 49 19.585 3.950 -28.734 1.00 0.00 S ATOM 731 CE MET A 49 20.287 5.579 -29.116 1.00 0.00 C ATOM 0 H MET A 49 20.394 5.591 -24.732 1.00 0.00 H new ATOM 0 HA MET A 49 18.503 6.015 -26.796 1.00 0.00 H new ATOM 0 HB2 MET A 49 19.235 3.643 -25.014 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.052 3.515 -26.300 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.894 4.470 -26.791 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.455 2.774 -26.831 1.00 0.00 H new ATOM 0 HE1 MET A 49 20.495 5.644 -30.184 1.00 0.00 H new ATOM 0 HE2 MET A 49 19.576 6.356 -28.837 1.00 0.00 H new ATOM 0 HE3 MET A 49 21.213 5.717 -28.557 1.00 0.00 H new ATOM 741 N MET A 50 17.232 5.950 -23.793 1.00 0.00 N ATOM 742 CA MET A 50 15.977 6.079 -23.029 1.00 0.00 C ATOM 743 C MET A 50 15.669 7.518 -22.586 1.00 0.00 C ATOM 744 O MET A 50 14.503 7.843 -22.370 1.00 0.00 O ATOM 745 CB MET A 50 15.934 5.096 -21.848 1.00 0.00 C ATOM 746 CG MET A 50 16.430 3.666 -22.112 1.00 0.00 C ATOM 747 SD MET A 50 16.228 2.930 -23.749 1.00 0.00 S ATOM 748 CE MET A 50 17.317 1.490 -23.569 1.00 0.00 C ATOM 0 H MET A 50 18.073 6.071 -23.229 1.00 0.00 H new ATOM 0 HA MET A 50 15.178 5.810 -23.720 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.528 5.516 -21.036 1.00 0.00 H new ATOM 0 HB3 MET A 50 14.905 5.038 -21.493 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.494 3.642 -21.875 1.00 0.00 H new ATOM 0 HG3 MET A 50 15.929 3.012 -21.398 1.00 0.00 H new ATOM 0 HE1 MET A 50 17.315 0.914 -24.495 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.331 1.826 -23.353 1.00 0.00 H new ATOM 0 HE3 MET A 50 16.960 0.864 -22.751 1.00 0.00 H new ATOM 758 N GLU A 51 16.646 8.427 -22.542 1.00 0.00 N ATOM 759 CA GLU A 51 16.389 9.863 -22.321 1.00 0.00 C ATOM 760 C GLU A 51 15.506 10.482 -23.422 1.00 0.00 C ATOM 761 O GLU A 51 14.717 11.384 -23.146 1.00 0.00 O ATOM 762 CB GLU A 51 17.705 10.647 -22.245 1.00 0.00 C ATOM 763 CG GLU A 51 18.315 10.595 -20.844 1.00 0.00 C ATOM 764 CD GLU A 51 19.585 11.469 -20.754 1.00 0.00 C ATOM 765 OE1 GLU A 51 20.521 11.307 -21.574 1.00 0.00 O ATOM 766 OE2 GLU A 51 19.653 12.345 -19.855 1.00 0.00 O ATOM 0 H GLU A 51 17.633 8.197 -22.657 1.00 0.00 H new ATOM 0 HA GLU A 51 15.855 9.933 -21.373 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.414 10.239 -22.966 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.527 11.685 -22.526 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.583 10.937 -20.113 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.561 9.564 -20.590 1.00 0.00 H new ATOM 773 N GLU A 52 15.551 9.953 -24.650 1.00 0.00 N ATOM 774 CA GLU A 52 14.652 10.356 -25.752 1.00 0.00 C ATOM 775 C GLU A 52 13.196 9.866 -25.566 1.00 0.00 C ATOM 776 O GLU A 52 12.297 10.286 -26.293 1.00 0.00 O ATOM 777 CB GLU A 52 15.242 9.937 -27.112 1.00 0.00 C ATOM 778 CG GLU A 52 15.498 8.430 -27.229 1.00 0.00 C ATOM 779 CD GLU A 52 15.898 8.012 -28.658 1.00 0.00 C ATOM 780 OE1 GLU A 52 16.918 8.496 -29.199 1.00 0.00 O ATOM 781 OE2 GLU A 52 15.205 7.149 -29.246 1.00 0.00 O ATOM 0 H GLU A 52 16.216 9.226 -24.915 1.00 0.00 H new ATOM 0 HA GLU A 52 14.589 11.444 -25.730 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.560 10.244 -27.905 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.179 10.470 -27.273 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.288 8.143 -26.535 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.600 7.887 -26.932 1.00 0.00 H new ATOM 788 N VAL A 53 12.958 9.015 -24.558 1.00 0.00 N ATOM 789 CA VAL A 53 11.640 8.573 -24.055 1.00 0.00 C ATOM 790 C VAL A 53 11.284 9.307 -22.740 1.00 0.00 C ATOM 791 O VAL A 53 10.252 9.049 -22.122 1.00 0.00 O ATOM 792 CB VAL A 53 11.614 7.025 -23.919 1.00 0.00 C ATOM 793 CG1 VAL A 53 10.209 6.440 -23.724 1.00 0.00 C ATOM 794 CG2 VAL A 53 12.227 6.331 -25.143 1.00 0.00 C ATOM 0 H VAL A 53 13.724 8.588 -24.037 1.00 0.00 H new ATOM 0 HA VAL A 53 10.865 8.841 -24.773 1.00 0.00 H new ATOM 0 HB VAL A 53 12.204 6.833 -23.023 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.275 5.355 -23.637 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.767 6.850 -22.816 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.585 6.698 -24.580 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.188 5.250 -25.006 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.664 6.604 -26.036 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.264 6.645 -25.258 1.00 0.00 H new ATOM 804 N GLY A 54 12.133 10.248 -22.300 1.00 0.00 N ATOM 805 CA GLY A 54 11.994 10.999 -21.047 1.00 0.00 C ATOM 806 C GLY A 54 12.422 10.232 -19.786 1.00 0.00 C ATOM 807 O GLY A 54 12.095 10.659 -18.679 1.00 0.00 O ATOM 0 H GLY A 54 12.964 10.515 -22.827 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.586 11.911 -21.119 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.953 11.302 -20.935 1.00 0.00 H new ATOM 811 N ILE A 55 13.129 9.103 -19.932 1.00 0.00 N ATOM 812 CA ILE A 55 13.546 8.238 -18.813 1.00 0.00 C ATOM 813 C ILE A 55 14.840 8.752 -18.167 1.00 0.00 C ATOM 814 O ILE A 55 15.725 9.286 -18.837 1.00 0.00 O ATOM 815 CB ILE A 55 13.698 6.766 -19.263 1.00 0.00 C ATOM 816 CG1 ILE A 55 12.504 6.255 -20.094 1.00 0.00 C ATOM 817 CG2 ILE A 55 13.935 5.814 -18.077 1.00 0.00 C ATOM 818 CD1 ILE A 55 11.143 6.255 -19.388 1.00 0.00 C ATOM 0 H ILE A 55 13.433 8.758 -20.842 1.00 0.00 H new ATOM 0 HA ILE A 55 12.758 8.274 -18.061 1.00 0.00 H new ATOM 0 HB ILE A 55 14.580 6.764 -19.904 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.424 6.867 -20.993 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.722 5.238 -20.419 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.035 4.793 -18.445 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.847 6.103 -17.555 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.091 5.871 -17.390 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.380 5.876 -20.068 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.191 5.617 -18.505 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.889 7.272 -19.088 1.00 0.00 H new ATOM 830 N ASP A 56 14.964 8.530 -16.860 1.00 0.00 N ATOM 831 CA ASP A 56 16.135 8.850 -16.040 1.00 0.00 C ATOM 832 C ASP A 56 16.757 7.585 -15.428 1.00 0.00 C ATOM 833 O ASP A 56 16.062 6.833 -14.747 1.00 0.00 O ATOM 834 CB ASP A 56 15.706 9.843 -14.950 1.00 0.00 C ATOM 835 CG ASP A 56 16.839 10.106 -13.943 1.00 0.00 C ATOM 836 OD1 ASP A 56 17.672 11.006 -14.196 1.00 0.00 O ATOM 837 OD2 ASP A 56 16.901 9.392 -12.912 1.00 0.00 O ATOM 0 H ASP A 56 14.215 8.101 -16.316 1.00 0.00 H new ATOM 0 HA ASP A 56 16.905 9.301 -16.666 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.404 10.783 -15.412 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.835 9.452 -14.424 1.00 0.00 H new ATOM 842 N ILE A 57 18.062 7.370 -15.631 1.00 0.00 N ATOM 843 CA ILE A 57 18.851 6.328 -14.927 1.00 0.00 C ATOM 844 C ILE A 57 20.274 6.772 -14.535 1.00 0.00 C ATOM 845 O ILE A 57 20.966 6.029 -13.847 1.00 0.00 O ATOM 846 CB ILE A 57 18.919 4.996 -15.718 1.00 0.00 C ATOM 847 CG1 ILE A 57 19.482 5.175 -17.144 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.554 4.292 -15.767 1.00 0.00 C ATOM 849 CD1 ILE A 57 20.091 3.880 -17.704 1.00 0.00 C ATOM 0 H ILE A 57 18.614 7.915 -16.293 1.00 0.00 H new ATOM 0 HA ILE A 57 18.299 6.162 -14.002 1.00 0.00 H new ATOM 0 HB ILE A 57 19.616 4.361 -15.171 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.685 5.513 -17.806 1.00 0.00 H new ATOM 0 HG13 ILE A 57 20.242 5.956 -17.135 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.644 3.363 -16.330 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.222 4.071 -14.753 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.827 4.942 -16.253 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.472 4.062 -18.709 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.908 3.554 -17.060 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.326 3.104 -17.741 1.00 0.00 H new ATOM 861 N SER A 58 20.741 7.961 -14.937 1.00 0.00 N ATOM 862 CA SER A 58 22.156 8.367 -14.795 1.00 0.00 C ATOM 863 C SER A 58 22.653 8.448 -13.340 1.00 0.00 C ATOM 864 O SER A 58 23.840 8.236 -13.084 1.00 0.00 O ATOM 865 CB SER A 58 22.389 9.711 -15.495 1.00 0.00 C ATOM 866 OG SER A 58 21.514 10.696 -14.968 1.00 0.00 O ATOM 0 H SER A 58 20.153 8.673 -15.371 1.00 0.00 H new ATOM 0 HA SER A 58 22.738 7.577 -15.269 1.00 0.00 H new ATOM 0 HB2 SER A 58 23.424 10.025 -15.361 1.00 0.00 H new ATOM 0 HB3 SER A 58 22.225 9.604 -16.567 1.00 0.00 H new ATOM 0 HG SER A 58 21.673 11.550 -15.421 1.00 0.00 H new ATOM 872 N GLY A 59 21.752 8.704 -12.382 1.00 0.00 N ATOM 873 CA GLY A 59 22.047 8.740 -10.941 1.00 0.00 C ATOM 874 C GLY A 59 22.068 7.374 -10.236 1.00 0.00 C ATOM 875 O GLY A 59 22.416 7.315 -9.054 1.00 0.00 O ATOM 0 H GLY A 59 20.773 8.897 -12.592 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.016 9.218 -10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 59 21.305 9.371 -10.451 1.00 0.00 H new ATOM 879 N GLN A 60 21.700 6.279 -10.917 1.00 0.00 N ATOM 880 CA GLN A 60 21.639 4.933 -10.326 1.00 0.00 C ATOM 881 C GLN A 60 23.004 4.215 -10.342 1.00 0.00 C ATOM 882 O GLN A 60 23.825 4.399 -11.242 1.00 0.00 O ATOM 883 CB GLN A 60 20.561 4.087 -11.031 1.00 0.00 C ATOM 884 CG GLN A 60 19.129 4.521 -10.666 1.00 0.00 C ATOM 885 CD GLN A 60 18.090 4.003 -11.657 1.00 0.00 C ATOM 886 OE1 GLN A 60 17.310 4.765 -12.207 1.00 0.00 O ATOM 887 NE2 GLN A 60 18.043 2.720 -11.939 1.00 0.00 N ATOM 0 H GLN A 60 21.434 6.302 -11.901 1.00 0.00 H new ATOM 0 HA GLN A 60 21.365 5.053 -9.278 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.695 4.162 -12.110 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.697 3.039 -10.765 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.886 4.158 -9.667 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.081 5.609 -10.630 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.690 2.074 -11.486 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.360 2.370 -12.611 1.00 0.00 H new ATOM 896 N THR A 61 23.221 3.360 -9.341 1.00 0.00 N ATOM 897 CA THR A 61 24.340 2.405 -9.244 1.00 0.00 C ATOM 898 C THR A 61 23.855 1.107 -8.574 1.00 0.00 C ATOM 899 O THR A 61 22.749 1.084 -8.025 1.00 0.00 O ATOM 900 CB THR A 61 25.540 3.033 -8.513 1.00 0.00 C ATOM 901 OG1 THR A 61 26.660 2.182 -8.654 1.00 0.00 O ATOM 902 CG2 THR A 61 25.303 3.280 -7.022 1.00 0.00 C ATOM 0 H THR A 61 22.596 3.308 -8.536 1.00 0.00 H new ATOM 0 HA THR A 61 24.689 2.153 -10.245 1.00 0.00 H new ATOM 0 HB THR A 61 25.704 4.008 -8.972 1.00 0.00 H new ATOM 0 HG1 THR A 61 27.430 2.575 -8.193 1.00 0.00 H new ATOM 0 HG21 THR A 61 26.195 3.724 -6.580 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.459 3.959 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.085 2.334 -6.527 1.00 0.00 H new ATOM 910 N SER A 62 24.622 0.017 -8.650 1.00 0.00 N ATOM 911 CA SER A 62 24.197 -1.324 -8.219 1.00 0.00 C ATOM 912 C SER A 62 25.247 -2.031 -7.347 1.00 0.00 C ATOM 913 O SER A 62 26.454 -1.904 -7.571 1.00 0.00 O ATOM 914 CB SER A 62 23.852 -2.157 -9.445 1.00 0.00 C ATOM 915 OG SER A 62 23.353 -3.417 -9.047 1.00 0.00 O ATOM 0 H SER A 62 25.573 0.038 -9.019 1.00 0.00 H new ATOM 0 HA SER A 62 23.314 -1.210 -7.590 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.110 -1.637 -10.051 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.737 -2.287 -10.068 1.00 0.00 H new ATOM 0 HG SER A 62 23.132 -3.947 -9.841 1.00 0.00 H new ATOM 921 N ASP A 63 24.774 -2.799 -6.360 1.00 0.00 N ATOM 922 CA ASP A 63 25.568 -3.426 -5.294 1.00 0.00 C ATOM 923 C ASP A 63 25.076 -4.860 -4.993 1.00 0.00 C ATOM 924 O ASP A 63 23.918 -5.169 -5.309 1.00 0.00 O ATOM 925 CB ASP A 63 25.478 -2.562 -4.023 1.00 0.00 C ATOM 926 CG ASP A 63 26.227 -1.228 -4.174 1.00 0.00 C ATOM 927 OD1 ASP A 63 27.475 -1.220 -4.033 1.00 0.00 O ATOM 928 OD2 ASP A 63 25.575 -0.175 -4.384 1.00 0.00 O ATOM 0 H ASP A 63 23.780 -3.011 -6.277 1.00 0.00 H new ATOM 0 HA ASP A 63 26.604 -3.494 -5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 63 24.431 -2.365 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 63 25.891 -3.115 -3.180 1.00 0.00 H new ATOM 933 N PRO A 64 25.898 -5.732 -4.365 1.00 0.00 N ATOM 934 CA PRO A 64 25.569 -7.143 -4.145 1.00 0.00 C ATOM 935 C PRO A 64 24.314 -7.326 -3.289 1.00 0.00 C ATOM 936 O PRO A 64 24.137 -6.646 -2.276 1.00 0.00 O ATOM 937 CB PRO A 64 26.798 -7.773 -3.474 1.00 0.00 C ATOM 938 CG PRO A 64 27.939 -6.842 -3.882 1.00 0.00 C ATOM 939 CD PRO A 64 27.251 -5.479 -3.890 1.00 0.00 C ATOM 0 HA PRO A 64 25.340 -7.628 -5.094 1.00 0.00 H new ATOM 0 HB2 PRO A 64 26.685 -7.820 -2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 64 26.967 -8.792 -3.821 1.00 0.00 H new ATOM 0 HG2 PRO A 64 28.767 -6.877 -3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 64 28.345 -7.099 -4.860 1.00 0.00 H new ATOM 0 HD2 PRO A 64 27.241 -5.038 -2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 64 27.772 -4.779 -4.543 1.00 0.00 H new ATOM 947 N ILE A 65 23.454 -8.277 -3.654 1.00 0.00 N ATOM 948 CA ILE A 65 22.116 -8.407 -3.054 1.00 0.00 C ATOM 949 C ILE A 65 22.117 -8.646 -1.534 1.00 0.00 C ATOM 950 O ILE A 65 21.219 -8.181 -0.836 1.00 0.00 O ATOM 951 CB ILE A 65 21.296 -9.471 -3.822 1.00 0.00 C ATOM 952 CG1 ILE A 65 19.794 -9.244 -3.573 1.00 0.00 C ATOM 953 CG2 ILE A 65 21.737 -10.909 -3.473 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.897 -10.143 -4.423 1.00 0.00 C ATOM 0 H ILE A 65 23.658 -8.976 -4.368 1.00 0.00 H new ATOM 0 HA ILE A 65 21.629 -7.438 -3.162 1.00 0.00 H new ATOM 0 HB ILE A 65 21.489 -9.355 -4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 65 19.577 -9.419 -2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 65 19.552 -8.201 -3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.134 -11.621 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 65 22.788 -11.040 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 65 21.601 -11.082 -2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.852 -9.931 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.087 -9.952 -5.479 1.00 0.00 H new ATOM 0 HD13 ILE A 65 19.112 -11.188 -4.199 1.00 0.00 H new ATOM 966 N GLU A 66 23.157 -9.290 -0.994 1.00 0.00 N ATOM 967 CA GLU A 66 23.275 -9.574 0.446 1.00 0.00 C ATOM 968 C GLU A 66 23.536 -8.313 1.300 1.00 0.00 C ATOM 969 O GLU A 66 23.409 -8.369 2.527 1.00 0.00 O ATOM 970 CB GLU A 66 24.348 -10.650 0.688 1.00 0.00 C ATOM 971 CG GLU A 66 24.011 -11.994 0.028 1.00 0.00 C ATOM 972 CD GLU A 66 25.058 -13.061 0.399 1.00 0.00 C ATOM 973 OE1 GLU A 66 26.079 -13.198 -0.319 1.00 0.00 O ATOM 974 OE2 GLU A 66 24.873 -13.776 1.416 1.00 0.00 O ATOM 0 H GLU A 66 23.946 -9.632 -1.543 1.00 0.00 H new ATOM 0 HA GLU A 66 22.308 -9.955 0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 66 25.304 -10.294 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 66 24.469 -10.799 1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 66 23.021 -12.323 0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 66 23.975 -11.874 -1.055 1.00 0.00 H new ATOM 981 N ASN A 67 23.856 -7.162 0.681 1.00 0.00 N ATOM 982 CA ASN A 67 23.910 -5.867 1.379 1.00 0.00 C ATOM 983 C ASN A 67 22.499 -5.279 1.653 1.00 0.00 C ATOM 984 O ASN A 67 22.357 -4.405 2.511 1.00 0.00 O ATOM 985 CB ASN A 67 24.846 -4.891 0.626 1.00 0.00 C ATOM 986 CG ASN A 67 24.110 -3.796 -0.139 1.00 0.00 C ATOM 987 OD1 ASN A 67 23.986 -2.664 0.309 1.00 0.00 O ATOM 988 ND2 ASN A 67 23.569 -4.100 -1.290 1.00 0.00 N ATOM 0 H ASN A 67 24.083 -7.104 -0.312 1.00 0.00 H new ATOM 0 HA ASN A 67 24.339 -6.030 2.368 1.00 0.00 H new ATOM 0 HB2 ASN A 67 25.524 -4.427 1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 67 25.461 -5.459 -0.073 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.047 -3.395 -1.810 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.669 -5.042 -1.668 1.00 0.00 H new ATOM 995 N PHE A 68 21.468 -5.757 0.942 1.00 0.00 N ATOM 996 CA PHE A 68 20.066 -5.341 1.080 1.00 0.00 C ATOM 997 C PHE A 68 19.246 -6.326 1.943 1.00 0.00 C ATOM 998 O PHE A 68 19.706 -7.414 2.294 1.00 0.00 O ATOM 999 CB PHE A 68 19.453 -5.152 -0.322 1.00 0.00 C ATOM 1000 CG PHE A 68 20.176 -4.183 -1.246 1.00 0.00 C ATOM 1001 CD1 PHE A 68 20.423 -2.853 -0.847 1.00 0.00 C ATOM 1002 CD2 PHE A 68 20.590 -4.606 -2.524 1.00 0.00 C ATOM 1003 CE1 PHE A 68 21.089 -1.965 -1.710 1.00 0.00 C ATOM 1004 CE2 PHE A 68 21.264 -3.718 -3.383 1.00 0.00 C ATOM 1005 CZ PHE A 68 21.506 -2.396 -2.981 1.00 0.00 C ATOM 0 H PHE A 68 21.594 -6.473 0.226 1.00 0.00 H new ATOM 0 HA PHE A 68 20.035 -4.389 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 68 19.411 -6.125 -0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 68 18.425 -4.810 -0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 68 20.099 -2.515 0.126 1.00 0.00 H new ATOM 0 HD2 PHE A 68 20.389 -5.617 -2.846 1.00 0.00 H new ATOM 0 HE1 PHE A 68 21.280 -0.950 -1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 68 21.596 -4.055 -4.354 1.00 0.00 H new ATOM 0 HZ PHE A 68 22.011 -1.711 -3.646 1.00 0.00 H new ATOM 1015 N ASN A 69 18.009 -5.937 2.280 1.00 0.00 N ATOM 1016 CA ASN A 69 17.050 -6.718 3.079 1.00 0.00 C ATOM 1017 C ASN A 69 15.722 -6.895 2.318 1.00 0.00 C ATOM 1018 O ASN A 69 14.992 -5.926 2.111 1.00 0.00 O ATOM 1019 CB ASN A 69 16.868 -6.054 4.463 1.00 0.00 C ATOM 1020 CG ASN A 69 16.840 -4.527 4.470 1.00 0.00 C ATOM 1021 OD1 ASN A 69 17.601 -3.880 5.177 1.00 0.00 O ATOM 1022 ND2 ASN A 69 15.989 -3.892 3.693 1.00 0.00 N ATOM 0 H ASN A 69 17.632 -5.034 1.993 1.00 0.00 H new ATOM 0 HA ASN A 69 17.440 -7.722 3.247 1.00 0.00 H new ATOM 0 HB2 ASN A 69 15.938 -6.417 4.900 1.00 0.00 H new ATOM 0 HB3 ASN A 69 17.677 -6.387 5.114 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.969 -2.872 3.685 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.349 -4.420 3.099 1.00 0.00 H new ATOM 1029 N ALA A 70 15.372 -8.118 1.925 1.00 0.00 N ATOM 1030 CA ALA A 70 14.258 -8.398 1.014 1.00 0.00 C ATOM 1031 C ALA A 70 12.862 -8.082 1.574 1.00 0.00 C ATOM 1032 O ALA A 70 11.914 -7.894 0.814 1.00 0.00 O ATOM 1033 CB ALA A 70 14.340 -9.871 0.649 1.00 0.00 C ATOM 0 H ALA A 70 15.861 -8.958 2.234 1.00 0.00 H new ATOM 0 HA ALA A 70 14.367 -7.737 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.526 -10.123 -0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.294 -10.073 0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.259 -10.475 1.553 1.00 0.00 H new ATOM 1039 N ASP A 71 12.733 -7.995 2.898 1.00 0.00 N ATOM 1040 CA ASP A 71 11.458 -7.747 3.587 1.00 0.00 C ATOM 1041 C ASP A 71 10.877 -6.358 3.263 1.00 0.00 C ATOM 1042 O ASP A 71 9.662 -6.145 3.282 1.00 0.00 O ATOM 1043 CB ASP A 71 11.712 -7.834 5.095 1.00 0.00 C ATOM 1044 CG ASP A 71 10.407 -7.774 5.910 1.00 0.00 C ATOM 1045 OD1 ASP A 71 9.581 -8.711 5.801 1.00 0.00 O ATOM 1046 OD2 ASP A 71 10.215 -6.803 6.685 1.00 0.00 O ATOM 0 H ASP A 71 13.522 -8.096 3.536 1.00 0.00 H new ATOM 0 HA ASP A 71 10.736 -8.491 3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.236 -8.763 5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.366 -7.017 5.399 1.00 0.00 H new ATOM 1051 N ASP A 72 11.767 -5.421 2.937 1.00 0.00 N ATOM 1052 CA ASP A 72 11.470 -4.036 2.593 1.00 0.00 C ATOM 1053 C ASP A 72 11.144 -3.866 1.096 1.00 0.00 C ATOM 1054 O ASP A 72 10.794 -2.769 0.664 1.00 0.00 O ATOM 1055 CB ASP A 72 12.675 -3.200 3.038 1.00 0.00 C ATOM 1056 CG ASP A 72 12.404 -1.688 3.001 1.00 0.00 C ATOM 1057 OD1 ASP A 72 11.463 -1.217 3.684 1.00 0.00 O ATOM 1058 OD2 ASP A 72 13.164 -0.952 2.326 1.00 0.00 O ATOM 0 H ASP A 72 12.767 -5.621 2.905 1.00 0.00 H new ATOM 0 HA ASP A 72 10.571 -3.696 3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.956 -3.488 4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.525 -3.427 2.395 1.00 0.00 H new ATOM 1063 N TYR A 73 11.238 -4.954 0.319 1.00 0.00 N ATOM 1064 CA TYR A 73 10.873 -5.058 -1.090 1.00 0.00 C ATOM 1065 C TYR A 73 9.735 -6.068 -1.212 1.00 0.00 C ATOM 1066 O TYR A 73 9.937 -7.245 -1.498 1.00 0.00 O ATOM 1067 CB TYR A 73 12.090 -5.439 -1.942 1.00 0.00 C ATOM 1068 CG TYR A 73 13.249 -4.486 -1.758 1.00 0.00 C ATOM 1069 CD1 TYR A 73 13.364 -3.335 -2.552 1.00 0.00 C ATOM 1070 CD2 TYR A 73 14.173 -4.722 -0.729 1.00 0.00 C ATOM 1071 CE1 TYR A 73 14.408 -2.427 -2.309 1.00 0.00 C ATOM 1072 CE2 TYR A 73 15.213 -3.815 -0.474 1.00 0.00 C ATOM 1073 CZ TYR A 73 15.332 -2.651 -1.265 1.00 0.00 C ATOM 1074 OH TYR A 73 16.327 -1.748 -1.041 1.00 0.00 O ATOM 0 H TYR A 73 11.594 -5.837 0.686 1.00 0.00 H new ATOM 0 HA TYR A 73 10.531 -4.095 -1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.409 -6.448 -1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 73 11.802 -5.457 -2.993 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.655 -3.148 -3.345 1.00 0.00 H new ATOM 0 HD2 TYR A 73 14.083 -5.613 -0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.505 -1.547 -2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.918 -4.006 0.322 1.00 0.00 H new ATOM 0 HH TYR A 73 16.877 -2.047 -0.287 1.00 0.00 H new ATOM 1084 N ASP A 74 8.518 -5.591 -0.953 1.00 0.00 N ATOM 1085 CA ASP A 74 7.257 -6.343 -1.028 1.00 0.00 C ATOM 1086 C ASP A 74 7.063 -7.066 -2.373 1.00 0.00 C ATOM 1087 O ASP A 74 6.341 -8.059 -2.445 1.00 0.00 O ATOM 1088 CB ASP A 74 6.078 -5.368 -0.850 1.00 0.00 C ATOM 1089 CG ASP A 74 6.320 -4.316 0.243 1.00 0.00 C ATOM 1090 OD1 ASP A 74 7.043 -3.333 -0.057 1.00 0.00 O ATOM 1091 OD2 ASP A 74 5.796 -4.470 1.373 1.00 0.00 O ATOM 0 H ASP A 74 8.373 -4.622 -0.671 1.00 0.00 H new ATOM 0 HA ASP A 74 7.295 -7.095 -0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.888 -4.862 -1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.180 -5.935 -0.606 1.00 0.00 H new ATOM 1096 N VAL A 75 7.695 -6.557 -3.435 1.00 0.00 N ATOM 1097 CA VAL A 75 7.597 -7.043 -4.811 1.00 0.00 C ATOM 1098 C VAL A 75 9.008 -7.167 -5.407 1.00 0.00 C ATOM 1099 O VAL A 75 9.811 -6.239 -5.305 1.00 0.00 O ATOM 1100 CB VAL A 75 6.666 -6.096 -5.602 1.00 0.00 C ATOM 1101 CG1 VAL A 75 6.650 -6.445 -7.096 1.00 0.00 C ATOM 1102 CG2 VAL A 75 5.229 -6.185 -5.075 1.00 0.00 C ATOM 0 H VAL A 75 8.320 -5.755 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 75 7.156 -8.039 -4.858 1.00 0.00 H new ATOM 0 HB VAL A 75 7.054 -5.086 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.986 -5.760 -7.623 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.658 -6.356 -7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.295 -7.467 -7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.590 -5.511 -5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.865 -7.207 -5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.209 -5.901 -4.023 1.00 0.00 H new ATOM 1112 N VAL A 76 9.342 -8.301 -6.032 1.00 0.00 N ATOM 1113 CA VAL A 76 10.699 -8.574 -6.563 1.00 0.00 C ATOM 1114 C VAL A 76 10.619 -9.202 -7.957 1.00 0.00 C ATOM 1115 O VAL A 76 10.044 -10.272 -8.127 1.00 0.00 O ATOM 1116 CB VAL A 76 11.511 -9.470 -5.601 1.00 0.00 C ATOM 1117 CG1 VAL A 76 12.873 -9.869 -6.190 1.00 0.00 C ATOM 1118 CG2 VAL A 76 11.801 -8.781 -4.257 1.00 0.00 C ATOM 0 H VAL A 76 8.683 -9.063 -6.189 1.00 0.00 H new ATOM 0 HA VAL A 76 11.222 -7.621 -6.646 1.00 0.00 H new ATOM 0 HB VAL A 76 10.883 -10.348 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.407 -10.498 -5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.721 -10.420 -7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.459 -8.972 -6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.374 -9.454 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.374 -7.871 -4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.861 -8.529 -3.767 1.00 0.00 H new ATOM 1128 N ILE A 77 11.215 -8.554 -8.959 1.00 0.00 N ATOM 1129 CA ILE A 77 11.278 -9.029 -10.348 1.00 0.00 C ATOM 1130 C ILE A 77 12.726 -9.432 -10.648 1.00 0.00 C ATOM 1131 O ILE A 77 13.633 -8.603 -10.576 1.00 0.00 O ATOM 1132 CB ILE A 77 10.763 -7.944 -11.332 1.00 0.00 C ATOM 1133 CG1 ILE A 77 9.228 -7.695 -11.393 1.00 0.00 C ATOM 1134 CG2 ILE A 77 11.206 -8.246 -12.778 1.00 0.00 C ATOM 1135 CD1 ILE A 77 8.412 -8.030 -10.143 1.00 0.00 C ATOM 0 H ILE A 77 11.682 -7.657 -8.826 1.00 0.00 H new ATOM 0 HA ILE A 77 10.628 -9.894 -10.480 1.00 0.00 H new ATOM 0 HB ILE A 77 11.213 -7.044 -10.912 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.066 -6.643 -11.629 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.825 -8.274 -12.224 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.830 -7.469 -13.443 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.295 -8.271 -12.827 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.807 -9.212 -13.087 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.360 -7.808 -10.325 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.524 -9.088 -9.908 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.769 -7.432 -9.304 1.00 0.00 H new ATOM 1147 N SER A 78 12.943 -10.694 -11.005 1.00 0.00 N ATOM 1148 CA SER A 78 14.212 -11.186 -11.543 1.00 0.00 C ATOM 1149 C SER A 78 14.234 -11.028 -13.061 1.00 0.00 C ATOM 1150 O SER A 78 13.199 -11.105 -13.718 1.00 0.00 O ATOM 1151 CB SER A 78 14.433 -12.647 -11.152 1.00 0.00 C ATOM 1152 OG SER A 78 15.697 -13.066 -11.646 1.00 0.00 O ATOM 0 H SER A 78 12.230 -11.419 -10.928 1.00 0.00 H new ATOM 0 HA SER A 78 15.023 -10.595 -11.118 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.396 -12.758 -10.068 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.641 -13.272 -11.564 1.00 0.00 H new ATOM 0 HG SER A 78 15.851 -14.002 -11.400 1.00 0.00 H new ATOM 1158 N LEU A 79 15.419 -10.815 -13.631 1.00 0.00 N ATOM 1159 CA LEU A 79 15.641 -10.783 -15.080 1.00 0.00 C ATOM 1160 C LEU A 79 16.717 -11.806 -15.506 1.00 0.00 C ATOM 1161 O LEU A 79 17.475 -11.568 -16.449 1.00 0.00 O ATOM 1162 CB LEU A 79 15.906 -9.334 -15.552 1.00 0.00 C ATOM 1163 CG LEU A 79 14.844 -8.297 -15.117 1.00 0.00 C ATOM 1164 CD1 LEU A 79 15.263 -7.547 -13.850 1.00 0.00 C ATOM 1165 CD2 LEU A 79 14.633 -7.243 -16.202 1.00 0.00 C ATOM 0 H LEU A 79 16.269 -10.657 -13.090 1.00 0.00 H new ATOM 0 HA LEU A 79 14.735 -11.102 -15.595 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.877 -9.017 -15.173 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.972 -9.329 -16.640 1.00 0.00 H new ATOM 0 HG LEU A 79 13.931 -8.863 -14.935 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.489 -6.829 -13.580 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.399 -8.258 -13.035 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.199 -7.020 -14.032 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.882 -6.526 -15.871 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.572 -6.723 -16.392 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.294 -7.727 -17.118 1.00 0.00 H new ATOM 1177 N CYS A 80 16.820 -12.925 -14.770 1.00 0.00 N ATOM 1178 CA CYS A 80 17.919 -13.894 -14.894 1.00 0.00 C ATOM 1179 C CYS A 80 17.605 -15.152 -15.729 1.00 0.00 C ATOM 1180 O CYS A 80 18.537 -15.843 -16.142 1.00 0.00 O ATOM 1181 CB CYS A 80 18.382 -14.291 -13.485 1.00 0.00 C ATOM 1182 SG CYS A 80 18.819 -12.824 -12.501 1.00 0.00 S ATOM 0 H CYS A 80 16.132 -13.184 -14.063 1.00 0.00 H new ATOM 0 HA CYS A 80 18.707 -13.390 -15.453 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.591 -14.847 -12.982 1.00 0.00 H new ATOM 0 HB3 CYS A 80 19.243 -14.955 -13.556 1.00 0.00 H new ATOM 0 HG CYS A 80 17.775 -12.417 -11.842 1.00 0.00 H new ATOM 1188 N GLY A 81 16.329 -15.479 -15.973 1.00 0.00 N ATOM 1189 CA GLY A 81 15.923 -16.716 -16.661 1.00 0.00 C ATOM 1190 C GLY A 81 15.736 -17.916 -15.722 1.00 0.00 C ATOM 1191 O GLY A 81 16.142 -19.030 -16.049 1.00 0.00 O ATOM 0 H GLY A 81 15.543 -14.890 -15.698 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.989 -16.535 -17.193 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.674 -16.967 -17.410 1.00 0.00 H new ATOM 1195 N CYS A 82 15.128 -17.677 -14.555 1.00 0.00 N ATOM 1196 CA CYS A 82 14.734 -18.623 -13.499 1.00 0.00 C ATOM 1197 C CYS A 82 15.885 -19.329 -12.745 1.00 0.00 C ATOM 1198 O CYS A 82 15.838 -19.445 -11.518 1.00 0.00 O ATOM 1199 CB CYS A 82 13.677 -19.584 -14.073 1.00 0.00 C ATOM 1200 SG CYS A 82 12.808 -20.458 -12.737 1.00 0.00 S ATOM 0 H CYS A 82 14.873 -16.723 -14.299 1.00 0.00 H new ATOM 0 HA CYS A 82 14.298 -18.036 -12.691 1.00 0.00 H new ATOM 0 HB2 CYS A 82 12.960 -19.026 -14.675 1.00 0.00 H new ATOM 0 HB3 CYS A 82 14.156 -20.306 -14.735 1.00 0.00 H new ATOM 0 HG CYS A 82 11.921 -21.260 -13.248 1.00 0.00 H new ATOM 1206 N GLY A 83 16.949 -19.738 -13.438 1.00 0.00 N ATOM 1207 CA GLY A 83 18.196 -20.222 -12.836 1.00 0.00 C ATOM 1208 C GLY A 83 18.997 -19.059 -12.242 1.00 0.00 C ATOM 1209 O GLY A 83 19.696 -18.351 -12.970 1.00 0.00 O ATOM 0 H GLY A 83 16.970 -19.743 -14.458 1.00 0.00 H new ATOM 0 HA2 GLY A 83 17.971 -20.950 -12.057 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.794 -20.735 -13.589 1.00 0.00 H new ATOM 1213 N VAL A 84 18.867 -18.832 -10.928 1.00 0.00 N ATOM 1214 CA VAL A 84 19.452 -17.674 -10.219 1.00 0.00 C ATOM 1215 C VAL A 84 19.814 -18.018 -8.765 1.00 0.00 C ATOM 1216 O VAL A 84 19.084 -18.735 -8.084 1.00 0.00 O ATOM 1217 CB VAL A 84 18.499 -16.461 -10.322 1.00 0.00 C ATOM 1218 CG1 VAL A 84 17.191 -16.611 -9.533 1.00 0.00 C ATOM 1219 CG2 VAL A 84 19.182 -15.157 -9.902 1.00 0.00 C ATOM 0 H VAL A 84 18.344 -19.456 -10.313 1.00 0.00 H new ATOM 0 HA VAL A 84 20.391 -17.405 -10.702 1.00 0.00 H new ATOM 0 HB VAL A 84 18.239 -16.423 -11.380 1.00 0.00 H new ATOM 0 HG11 VAL A 84 16.584 -15.715 -9.662 1.00 0.00 H new ATOM 0 HG12 VAL A 84 16.642 -17.478 -9.901 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.418 -16.747 -8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.476 -14.332 -9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.518 -15.239 -8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.040 -14.971 -10.548 1.00 0.00 H new ATOM 1229 N ASN A 85 20.931 -17.474 -8.267 1.00 0.00 N ATOM 1230 CA ASN A 85 21.455 -17.715 -6.913 1.00 0.00 C ATOM 1231 C ASN A 85 20.901 -16.702 -5.880 1.00 0.00 C ATOM 1232 O ASN A 85 21.656 -16.084 -5.126 1.00 0.00 O ATOM 1233 CB ASN A 85 22.999 -17.761 -6.977 1.00 0.00 C ATOM 1234 CG ASN A 85 23.527 -18.858 -7.890 1.00 0.00 C ATOM 1235 OD1 ASN A 85 23.837 -18.636 -9.053 1.00 0.00 O ATOM 1236 ND2 ASN A 85 23.630 -20.076 -7.405 1.00 0.00 N ATOM 0 H ASN A 85 21.513 -16.835 -8.809 1.00 0.00 H new ATOM 0 HA ASN A 85 21.105 -18.682 -6.551 1.00 0.00 H new ATOM 0 HB2 ASN A 85 23.371 -16.797 -7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 85 23.394 -17.912 -5.972 1.00 0.00 H new ATOM 0 HD21 ASN A 85 23.968 -20.834 -7.998 1.00 0.00 H new ATOM 0 HD22 ASN A 85 23.372 -20.263 -6.436 1.00 0.00 H new ATOM 1243 N LEU A 86 19.577 -16.497 -5.858 1.00 0.00 N ATOM 1244 CA LEU A 86 18.912 -15.607 -4.893 1.00 0.00 C ATOM 1245 C LEU A 86 18.832 -16.231 -3.484 1.00 0.00 C ATOM 1246 O LEU A 86 18.455 -17.402 -3.372 1.00 0.00 O ATOM 1247 CB LEU A 86 17.476 -15.268 -5.361 1.00 0.00 C ATOM 1248 CG LEU A 86 17.361 -14.247 -6.503 1.00 0.00 C ATOM 1249 CD1 LEU A 86 15.905 -14.123 -6.956 1.00 0.00 C ATOM 1250 CD2 LEU A 86 17.822 -12.853 -6.090 1.00 0.00 C ATOM 0 H LEU A 86 18.934 -16.945 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 86 19.517 -14.702 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 86 16.991 -16.192 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 86 16.916 -14.890 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 86 18.002 -14.616 -7.304 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.836 -13.396 -7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.549 -15.092 -7.307 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.290 -13.792 -6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 86 17.720 -12.171 -6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.210 -12.498 -5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 86 18.866 -12.892 -5.780 1.00 0.00 H new ATOM 1262 N PRO A 87 19.114 -15.464 -2.407 1.00 0.00 N ATOM 1263 CA PRO A 87 18.835 -15.903 -1.037 1.00 0.00 C ATOM 1264 C PRO A 87 17.316 -16.108 -0.839 1.00 0.00 C ATOM 1265 O PRO A 87 16.523 -15.402 -1.473 1.00 0.00 O ATOM 1266 CB PRO A 87 19.430 -14.830 -0.111 1.00 0.00 C ATOM 1267 CG PRO A 87 20.452 -14.107 -0.989 1.00 0.00 C ATOM 1268 CD PRO A 87 19.869 -14.218 -2.396 1.00 0.00 C ATOM 0 HA PRO A 87 19.287 -16.868 -0.809 1.00 0.00 H new ATOM 0 HB2 PRO A 87 18.662 -14.147 0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 87 19.901 -15.276 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 87 20.573 -13.067 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 87 21.435 -14.574 -0.926 1.00 0.00 H new ATOM 0 HD2 PRO A 87 19.226 -13.367 -2.623 1.00 0.00 H new ATOM 0 HD3 PRO A 87 20.658 -14.230 -3.148 1.00 0.00 H new ATOM 1276 N PRO A 88 16.871 -17.016 0.053 1.00 0.00 N ATOM 1277 CA PRO A 88 15.464 -17.434 0.148 1.00 0.00 C ATOM 1278 C PRO A 88 14.471 -16.316 0.509 1.00 0.00 C ATOM 1279 O PRO A 88 13.292 -16.402 0.168 1.00 0.00 O ATOM 1280 CB PRO A 88 15.450 -18.578 1.170 1.00 0.00 C ATOM 1281 CG PRO A 88 16.697 -18.335 2.019 1.00 0.00 C ATOM 1282 CD PRO A 88 17.685 -17.765 1.001 1.00 0.00 C ATOM 0 HA PRO A 88 15.109 -17.746 -0.834 1.00 0.00 H new ATOM 0 HB2 PRO A 88 14.545 -18.559 1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 88 15.485 -19.551 0.680 1.00 0.00 H new ATOM 0 HG2 PRO A 88 16.504 -17.636 2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 88 17.066 -19.256 2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.419 -17.120 1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.238 -18.561 0.502 1.00 0.00 H new ATOM 1290 N GLU A 89 14.930 -15.224 1.129 1.00 0.00 N ATOM 1291 CA GLU A 89 14.083 -14.062 1.432 1.00 0.00 C ATOM 1292 C GLU A 89 13.685 -13.221 0.198 1.00 0.00 C ATOM 1293 O GLU A 89 12.750 -12.428 0.286 1.00 0.00 O ATOM 1294 CB GLU A 89 14.726 -13.217 2.544 1.00 0.00 C ATOM 1295 CG GLU A 89 16.117 -12.663 2.200 1.00 0.00 C ATOM 1296 CD GLU A 89 16.624 -11.710 3.302 1.00 0.00 C ATOM 1297 OE1 GLU A 89 17.108 -12.201 4.354 1.00 0.00 O ATOM 1298 OE2 GLU A 89 16.546 -10.469 3.129 1.00 0.00 O ATOM 0 H GLU A 89 15.897 -15.119 1.435 1.00 0.00 H new ATOM 0 HA GLU A 89 13.132 -14.453 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.064 -12.383 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.804 -13.825 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.820 -13.487 2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.076 -12.134 1.248 1.00 0.00 H new ATOM 1305 N TRP A 90 14.324 -13.413 -0.966 1.00 0.00 N ATOM 1306 CA TRP A 90 14.027 -12.677 -2.213 1.00 0.00 C ATOM 1307 C TRP A 90 12.995 -13.353 -3.133 1.00 0.00 C ATOM 1308 O TRP A 90 12.653 -12.795 -4.173 1.00 0.00 O ATOM 1309 CB TRP A 90 15.337 -12.398 -2.961 1.00 0.00 C ATOM 1310 CG TRP A 90 16.244 -11.452 -2.247 1.00 0.00 C ATOM 1311 CD1 TRP A 90 17.247 -11.801 -1.415 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.170 -9.997 -2.203 1.00 0.00 C ATOM 1313 NE1 TRP A 90 17.805 -10.664 -0.863 1.00 0.00 N ATOM 1314 CE2 TRP A 90 17.148 -9.526 -1.279 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.331 -9.036 -2.804 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 17.249 -8.177 -0.922 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.427 -7.675 -2.455 1.00 0.00 C ATOM 1318 CH2 TRP A 90 16.366 -7.250 -1.500 1.00 0.00 C ATOM 0 H TRP A 90 15.075 -14.095 -1.073 1.00 0.00 H new ATOM 0 HA TRP A 90 13.552 -11.743 -1.914 1.00 0.00 H new ATOM 0 HB2 TRP A 90 15.862 -13.340 -3.121 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.104 -11.992 -3.945 1.00 0.00 H new ATOM 0 HD1 TRP A 90 17.565 -12.813 -1.212 1.00 0.00 H new ATOM 0 HE1 TRP A 90 18.603 -10.666 -0.228 1.00 0.00 H new ATOM 0 HE3 TRP A 90 14.606 -9.348 -3.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 17.995 -7.853 -0.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.775 -6.953 -2.924 1.00 0.00 H new ATOM 0 HH2 TRP A 90 16.409 -6.210 -1.210 1.00 0.00 H new ATOM 1329 N VAL A 91 12.520 -14.552 -2.775 1.00 0.00 N ATOM 1330 CA VAL A 91 11.633 -15.408 -3.597 1.00 0.00 C ATOM 1331 C VAL A 91 10.304 -15.761 -2.900 1.00 0.00 C ATOM 1332 O VAL A 91 9.593 -16.676 -3.315 1.00 0.00 O ATOM 1333 CB VAL A 91 12.383 -16.677 -4.064 1.00 0.00 C ATOM 1334 CG1 VAL A 91 13.561 -16.332 -4.981 1.00 0.00 C ATOM 1335 CG2 VAL A 91 12.918 -17.489 -2.877 1.00 0.00 C ATOM 0 H VAL A 91 12.746 -14.975 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 91 11.357 -14.821 -4.473 1.00 0.00 H new ATOM 0 HB VAL A 91 11.654 -17.272 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.063 -17.249 -5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.194 -15.806 -5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.265 -15.695 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.439 -18.373 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.609 -16.876 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.087 -17.796 -2.242 1.00 0.00 H new ATOM 1345 N THR A 92 9.968 -15.044 -1.822 1.00 0.00 N ATOM 1346 CA THR A 92 8.858 -15.340 -0.884 1.00 0.00 C ATOM 1347 C THR A 92 7.817 -14.196 -0.798 1.00 0.00 C ATOM 1348 O THR A 92 6.794 -14.284 -0.117 1.00 0.00 O ATOM 1349 CB THR A 92 9.466 -15.747 0.475 1.00 0.00 C ATOM 1350 OG1 THR A 92 8.484 -16.164 1.399 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.311 -14.641 1.102 1.00 0.00 C ATOM 0 H THR A 92 10.480 -14.202 -1.560 1.00 0.00 H new ATOM 0 HA THR A 92 8.273 -16.179 -1.262 1.00 0.00 H new ATOM 0 HB THR A 92 10.119 -16.590 0.250 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.641 -15.700 1.212 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.712 -14.985 2.055 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.133 -14.388 0.433 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.692 -13.759 1.266 1.00 0.00 H new ATOM 1359 N GLN A 93 8.063 -13.115 -1.545 1.00 0.00 N ATOM 1360 CA GLN A 93 7.241 -11.911 -1.703 1.00 0.00 C ATOM 1361 C GLN A 93 5.817 -12.184 -2.230 1.00 0.00 C ATOM 1362 O GLN A 93 5.559 -13.201 -2.878 1.00 0.00 O ATOM 1363 CB GLN A 93 7.982 -10.973 -2.682 1.00 0.00 C ATOM 1364 CG GLN A 93 9.067 -10.119 -2.009 1.00 0.00 C ATOM 1365 CD GLN A 93 10.326 -10.866 -1.559 1.00 0.00 C ATOM 1366 OE1 GLN A 93 10.568 -12.016 -1.902 1.00 0.00 O ATOM 1367 NE2 GLN A 93 11.185 -10.258 -0.770 1.00 0.00 N ATOM 0 H GLN A 93 8.915 -13.055 -2.102 1.00 0.00 H new ATOM 0 HA GLN A 93 7.108 -11.466 -0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.439 -11.571 -3.471 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.257 -10.314 -3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.364 -9.332 -2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.629 -9.629 -1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.010 -9.300 -0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.026 -10.745 -0.460 1.00 0.00 H new ATOM 1376 N GLU A 94 4.900 -11.228 -2.012 1.00 0.00 N ATOM 1377 CA GLU A 94 3.511 -11.317 -2.491 1.00 0.00 C ATOM 1378 C GLU A 94 3.401 -11.340 -4.028 1.00 0.00 C ATOM 1379 O GLU A 94 2.545 -12.047 -4.561 1.00 0.00 O ATOM 1380 CB GLU A 94 2.634 -10.211 -1.876 1.00 0.00 C ATOM 1381 CG GLU A 94 3.192 -8.785 -1.967 1.00 0.00 C ATOM 1382 CD GLU A 94 2.162 -7.770 -1.438 1.00 0.00 C ATOM 1383 OE1 GLU A 94 1.287 -7.316 -2.216 1.00 0.00 O ATOM 1384 OE2 GLU A 94 2.210 -7.428 -0.232 1.00 0.00 O ATOM 0 H GLU A 94 5.101 -10.370 -1.498 1.00 0.00 H new ATOM 0 HA GLU A 94 3.130 -12.279 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.661 -10.231 -2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.467 -10.449 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.114 -8.711 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.444 -8.552 -3.002 1.00 0.00 H new ATOM 1391 N ILE A 95 4.289 -10.621 -4.733 1.00 0.00 N ATOM 1392 CA ILE A 95 4.456 -10.720 -6.191 1.00 0.00 C ATOM 1393 C ILE A 95 5.940 -10.949 -6.512 1.00 0.00 C ATOM 1394 O ILE A 95 6.796 -10.129 -6.166 1.00 0.00 O ATOM 1395 CB ILE A 95 3.856 -9.512 -6.954 1.00 0.00 C ATOM 1396 CG1 ILE A 95 2.321 -9.387 -6.784 1.00 0.00 C ATOM 1397 CG2 ILE A 95 4.154 -9.635 -8.463 1.00 0.00 C ATOM 1398 CD1 ILE A 95 1.878 -8.471 -5.639 1.00 0.00 C ATOM 0 H ILE A 95 4.919 -9.946 -4.300 1.00 0.00 H new ATOM 0 HA ILE A 95 3.884 -11.577 -6.547 1.00 0.00 H new ATOM 0 HB ILE A 95 4.323 -8.625 -6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.895 -9.014 -7.715 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.905 -10.381 -6.618 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.728 -8.781 -8.989 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.232 -9.657 -8.620 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.713 -10.555 -8.847 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.789 -8.444 -5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.270 -8.852 -4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.259 -7.464 -5.810 1.00 0.00 H new ATOM 1410 N PHE A 96 6.224 -12.050 -7.213 1.00 0.00 N ATOM 1411 CA PHE A 96 7.528 -12.363 -7.801 1.00 0.00 C ATOM 1412 C PHE A 96 7.403 -12.619 -9.311 1.00 0.00 C ATOM 1413 O PHE A 96 6.395 -13.161 -9.768 1.00 0.00 O ATOM 1414 CB PHE A 96 8.167 -13.554 -7.072 1.00 0.00 C ATOM 1415 CG PHE A 96 9.587 -13.869 -7.519 1.00 0.00 C ATOM 1416 CD1 PHE A 96 10.682 -13.251 -6.884 1.00 0.00 C ATOM 1417 CD2 PHE A 96 9.821 -14.758 -8.589 1.00 0.00 C ATOM 1418 CE1 PHE A 96 11.995 -13.523 -7.310 1.00 0.00 C ATOM 1419 CE2 PHE A 96 11.135 -15.030 -9.014 1.00 0.00 C ATOM 1420 CZ PHE A 96 12.223 -14.415 -8.372 1.00 0.00 C ATOM 0 H PHE A 96 5.527 -12.773 -7.393 1.00 0.00 H new ATOM 0 HA PHE A 96 8.185 -11.502 -7.675 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.172 -13.350 -6.001 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.545 -14.436 -7.226 1.00 0.00 H new ATOM 0 HD1 PHE A 96 10.513 -12.566 -6.067 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.987 -15.233 -9.085 1.00 0.00 H new ATOM 0 HE1 PHE A 96 12.830 -13.045 -6.820 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.307 -15.712 -9.834 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.232 -14.627 -8.694 1.00 0.00 H new ATOM 1430 N GLU A 97 8.427 -12.254 -10.085 1.00 0.00 N ATOM 1431 CA GLU A 97 8.486 -12.476 -11.539 1.00 0.00 C ATOM 1432 C GLU A 97 9.888 -12.884 -12.013 1.00 0.00 C ATOM 1433 O GLU A 97 10.888 -12.577 -11.365 1.00 0.00 O ATOM 1434 CB GLU A 97 8.120 -11.191 -12.302 1.00 0.00 C ATOM 1435 CG GLU A 97 6.697 -10.647 -12.106 1.00 0.00 C ATOM 1436 CD GLU A 97 5.591 -11.607 -12.586 1.00 0.00 C ATOM 1437 OE1 GLU A 97 5.845 -12.503 -13.426 1.00 0.00 O ATOM 1438 OE2 GLU A 97 4.424 -11.406 -12.177 1.00 0.00 O ATOM 0 H GLU A 97 9.256 -11.787 -9.716 1.00 0.00 H new ATOM 0 HA GLU A 97 7.778 -13.279 -11.743 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.824 -10.412 -12.011 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.269 -11.374 -13.366 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.543 -10.431 -11.049 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.602 -9.702 -12.642 1.00 0.00 H new ATOM 1445 N ASP A 98 9.957 -13.512 -13.189 1.00 0.00 N ATOM 1446 CA ASP A 98 11.199 -13.778 -13.921 1.00 0.00 C ATOM 1447 C ASP A 98 11.031 -13.367 -15.393 1.00 0.00 C ATOM 1448 O ASP A 98 10.186 -13.916 -16.107 1.00 0.00 O ATOM 1449 CB ASP A 98 11.624 -15.243 -13.805 1.00 0.00 C ATOM 1450 CG ASP A 98 12.847 -15.493 -14.701 1.00 0.00 C ATOM 1451 OD1 ASP A 98 13.968 -15.080 -14.314 1.00 0.00 O ATOM 1452 OD2 ASP A 98 12.693 -16.103 -15.786 1.00 0.00 O ATOM 0 H ASP A 98 9.128 -13.859 -13.672 1.00 0.00 H new ATOM 0 HA ASP A 98 11.994 -13.182 -13.473 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.864 -15.483 -12.769 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.803 -15.896 -14.101 1.00 0.00 H new ATOM 1457 N TRP A 99 11.822 -12.387 -15.840 1.00 0.00 N ATOM 1458 CA TRP A 99 11.812 -11.852 -17.208 1.00 0.00 C ATOM 1459 C TRP A 99 13.048 -12.306 -18.002 1.00 0.00 C ATOM 1460 O TRP A 99 14.101 -12.595 -17.435 1.00 0.00 O ATOM 1461 CB TRP A 99 11.643 -10.321 -17.175 1.00 0.00 C ATOM 1462 CG TRP A 99 10.428 -9.761 -16.481 1.00 0.00 C ATOM 1463 CD1 TRP A 99 9.328 -10.447 -16.077 1.00 0.00 C ATOM 1464 CD2 TRP A 99 10.163 -8.369 -16.133 1.00 0.00 C ATOM 1465 NE1 TRP A 99 8.438 -9.590 -15.461 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.899 -8.298 -15.474 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.849 -7.149 -16.322 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 8.357 -7.097 -15.009 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 10.306 -5.929 -15.875 1.00 0.00 C ATOM 1470 CH2 TRP A 99 9.064 -5.904 -15.218 1.00 0.00 C ATOM 0 H TRP A 99 12.509 -11.929 -15.242 1.00 0.00 H new ATOM 0 HA TRP A 99 10.954 -12.261 -17.742 1.00 0.00 H new ATOM 0 HB2 TRP A 99 12.526 -9.897 -16.697 1.00 0.00 H new ATOM 0 HB3 TRP A 99 11.635 -9.963 -18.205 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.172 -11.507 -16.217 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.551 -9.880 -15.049 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.808 -7.152 -16.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.407 -7.088 -14.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 10.847 -5.008 -16.038 1.00 0.00 H new ATOM 0 HH2 TRP A 99 8.654 -4.966 -14.874 1.00 0.00 H new ATOM 1481 N GLN A 100 12.917 -12.379 -19.333 1.00 0.00 N ATOM 1482 CA GLN A 100 13.895 -13.007 -20.238 1.00 0.00 C ATOM 1483 C GLN A 100 14.069 -12.159 -21.511 1.00 0.00 C ATOM 1484 O GLN A 100 13.465 -12.417 -22.553 1.00 0.00 O ATOM 1485 CB GLN A 100 13.421 -14.446 -20.535 1.00 0.00 C ATOM 1486 CG GLN A 100 13.554 -15.363 -19.305 1.00 0.00 C ATOM 1487 CD GLN A 100 12.839 -16.704 -19.442 1.00 0.00 C ATOM 1488 OE1 GLN A 100 12.718 -17.294 -20.510 1.00 0.00 O ATOM 1489 NE2 GLN A 100 12.338 -17.238 -18.348 1.00 0.00 N ATOM 0 H GLN A 100 12.110 -11.995 -19.824 1.00 0.00 H new ATOM 0 HA GLN A 100 14.880 -13.059 -19.773 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.381 -14.425 -20.861 1.00 0.00 H new ATOM 0 HB3 GLN A 100 14.005 -14.857 -21.359 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.612 -15.546 -19.115 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.159 -14.841 -18.433 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.434 -16.755 -17.455 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.854 -18.135 -18.394 1.00 0.00 H new ATOM 1498 N LEU A 101 14.869 -11.093 -21.388 1.00 0.00 N ATOM 1499 CA LEU A 101 15.146 -10.119 -22.453 1.00 0.00 C ATOM 1500 C LEU A 101 16.431 -10.474 -23.215 1.00 0.00 C ATOM 1501 O LEU A 101 17.361 -11.053 -22.652 1.00 0.00 O ATOM 1502 CB LEU A 101 15.281 -8.698 -21.856 1.00 0.00 C ATOM 1503 CG LEU A 101 14.058 -8.037 -21.193 1.00 0.00 C ATOM 1504 CD1 LEU A 101 12.830 -8.043 -22.098 1.00 0.00 C ATOM 1505 CD2 LEU A 101 13.685 -8.638 -19.839 1.00 0.00 C ATOM 0 H LEU A 101 15.357 -10.877 -20.519 1.00 0.00 H new ATOM 0 HA LEU A 101 14.310 -10.147 -23.151 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.078 -8.730 -21.113 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.616 -8.038 -22.656 1.00 0.00 H new ATOM 0 HG LEU A 101 14.375 -7.008 -21.022 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.996 -7.566 -21.583 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.051 -7.497 -23.015 1.00 0.00 H new ATOM 0 HD13 LEU A 101 12.564 -9.071 -22.344 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.815 -8.119 -19.438 1.00 0.00 H new ATOM 0 HD22 LEU A 101 13.451 -9.696 -19.962 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.522 -8.529 -19.150 1.00 0.00 H new ATOM 1517 N GLU A 102 16.507 -10.068 -24.485 1.00 0.00 N ATOM 1518 CA GLU A 102 17.741 -10.118 -25.270 1.00 0.00 C ATOM 1519 C GLU A 102 18.572 -8.856 -24.997 1.00 0.00 C ATOM 1520 O GLU A 102 18.034 -7.781 -24.731 1.00 0.00 O ATOM 1521 CB GLU A 102 17.458 -10.320 -26.769 1.00 0.00 C ATOM 1522 CG GLU A 102 16.714 -9.163 -27.451 1.00 0.00 C ATOM 1523 CD GLU A 102 16.511 -9.468 -28.945 1.00 0.00 C ATOM 1524 OE1 GLU A 102 17.494 -9.376 -29.721 1.00 0.00 O ATOM 1525 OE2 GLU A 102 15.371 -9.803 -29.353 1.00 0.00 O ATOM 0 H GLU A 102 15.710 -9.694 -24.999 1.00 0.00 H new ATOM 0 HA GLU A 102 18.323 -10.986 -24.959 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.406 -10.476 -27.284 1.00 0.00 H new ATOM 0 HB3 GLU A 102 16.873 -11.231 -26.893 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.748 -9.008 -26.970 1.00 0.00 H new ATOM 0 HG3 GLU A 102 17.280 -8.239 -27.335 1.00 0.00 H new ATOM 1532 N ASP A 103 19.895 -8.977 -25.053 1.00 0.00 N ATOM 1533 CA ASP A 103 20.794 -7.858 -24.761 1.00 0.00 C ATOM 1534 C ASP A 103 20.971 -6.923 -25.974 1.00 0.00 C ATOM 1535 O ASP A 103 21.261 -7.412 -27.075 1.00 0.00 O ATOM 1536 CB ASP A 103 22.146 -8.384 -24.269 1.00 0.00 C ATOM 1537 CG ASP A 103 22.774 -7.384 -23.297 1.00 0.00 C ATOM 1538 OD1 ASP A 103 22.479 -7.522 -22.084 1.00 0.00 O ATOM 1539 OD2 ASP A 103 23.510 -6.476 -23.745 1.00 0.00 O ATOM 0 H ASP A 103 20.374 -9.843 -25.299 1.00 0.00 H new ATOM 0 HA ASP A 103 20.338 -7.262 -23.970 1.00 0.00 H new ATOM 0 HB2 ASP A 103 22.013 -9.348 -23.777 1.00 0.00 H new ATOM 0 HB3 ASP A 103 22.812 -8.548 -25.116 1.00 0.00 H new ATOM 1544 N PRO A 104 20.826 -5.593 -25.814 1.00 0.00 N ATOM 1545 CA PRO A 104 20.921 -4.667 -26.936 1.00 0.00 C ATOM 1546 C PRO A 104 22.354 -4.199 -27.249 1.00 0.00 C ATOM 1547 O PRO A 104 22.623 -3.837 -28.391 1.00 0.00 O ATOM 1548 CB PRO A 104 20.017 -3.501 -26.543 1.00 0.00 C ATOM 1549 CG PRO A 104 20.183 -3.428 -25.026 1.00 0.00 C ATOM 1550 CD PRO A 104 20.309 -4.901 -24.634 1.00 0.00 C ATOM 0 HA PRO A 104 20.614 -5.153 -27.862 1.00 0.00 H new ATOM 0 HB2 PRO A 104 20.323 -2.573 -27.027 1.00 0.00 H new ATOM 0 HB3 PRO A 104 18.980 -3.682 -26.827 1.00 0.00 H new ATOM 0 HG2 PRO A 104 21.066 -2.856 -24.742 1.00 0.00 H new ATOM 0 HG3 PRO A 104 19.327 -2.953 -24.547 1.00 0.00 H new ATOM 0 HD2 PRO A 104 20.982 -5.022 -23.785 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.343 -5.309 -24.335 1.00 0.00 H new ATOM 1558 N ASP A 105 23.291 -4.218 -26.290 1.00 0.00 N ATOM 1559 CA ASP A 105 24.636 -3.656 -26.497 1.00 0.00 C ATOM 1560 C ASP A 105 25.518 -4.497 -27.437 1.00 0.00 C ATOM 1561 O ASP A 105 26.365 -3.957 -28.153 1.00 0.00 O ATOM 1562 CB ASP A 105 25.331 -3.418 -25.155 1.00 0.00 C ATOM 1563 CG ASP A 105 26.631 -2.620 -25.361 1.00 0.00 C ATOM 1564 OD1 ASP A 105 26.562 -1.458 -25.834 1.00 0.00 O ATOM 1565 OD2 ASP A 105 27.722 -3.150 -25.039 1.00 0.00 O ATOM 0 H ASP A 105 23.143 -4.616 -25.363 1.00 0.00 H new ATOM 0 HA ASP A 105 24.495 -2.700 -27.001 1.00 0.00 H new ATOM 0 HB2 ASP A 105 24.665 -2.875 -24.484 1.00 0.00 H new ATOM 0 HB3 ASP A 105 25.554 -4.373 -24.679 1.00 0.00 H new ATOM 1570 N GLY A 106 25.281 -5.812 -27.493 1.00 0.00 N ATOM 1571 CA GLY A 106 25.879 -6.711 -28.493 1.00 0.00 C ATOM 1572 C GLY A 106 25.240 -6.587 -29.890 1.00 0.00 C ATOM 1573 O GLY A 106 25.588 -7.348 -30.796 1.00 0.00 O ATOM 0 H GLY A 106 24.662 -6.290 -26.839 1.00 0.00 H new ATOM 0 HA2 GLY A 106 26.945 -6.499 -28.570 1.00 0.00 H new ATOM 0 HA3 GLY A 106 25.783 -7.741 -28.148 1.00 0.00 H new ATOM 1577 N GLN A 107 24.280 -5.668 -30.056 1.00 0.00 N ATOM 1578 CA GLN A 107 23.432 -5.478 -31.237 1.00 0.00 C ATOM 1579 C GLN A 107 23.300 -3.979 -31.600 1.00 0.00 C ATOM 1580 O GLN A 107 24.108 -3.147 -31.177 1.00 0.00 O ATOM 1581 CB GLN A 107 22.070 -6.164 -30.981 1.00 0.00 C ATOM 1582 CG GLN A 107 22.192 -7.666 -30.663 1.00 0.00 C ATOM 1583 CD GLN A 107 20.831 -8.355 -30.671 1.00 0.00 C ATOM 1584 OE1 GLN A 107 20.320 -8.756 -31.709 1.00 0.00 O ATOM 1585 NE2 GLN A 107 20.184 -8.501 -29.536 1.00 0.00 N ATOM 0 H GLN A 107 24.062 -4.995 -29.321 1.00 0.00 H new ATOM 0 HA GLN A 107 23.891 -5.945 -32.108 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.570 -5.664 -30.152 1.00 0.00 H new ATOM 0 HB3 GLN A 107 21.437 -6.036 -31.859 1.00 0.00 H new ATOM 0 HG2 GLN A 107 22.845 -8.141 -31.395 1.00 0.00 H new ATOM 0 HG3 GLN A 107 22.660 -7.795 -29.687 1.00 0.00 H new ATOM 0 HE21 GLN A 107 20.600 -8.171 -28.665 1.00 0.00 H new ATOM 0 HE22 GLN A 107 19.266 -8.945 -29.526 1.00 0.00 H new ATOM 1594 N SER A 108 22.327 -3.630 -32.451 1.00 0.00 N ATOM 1595 CA SER A 108 22.123 -2.275 -32.980 1.00 0.00 C ATOM 1596 C SER A 108 21.439 -1.308 -32.008 1.00 0.00 C ATOM 1597 O SER A 108 20.789 -1.697 -31.036 1.00 0.00 O ATOM 1598 CB SER A 108 21.309 -2.374 -34.276 1.00 0.00 C ATOM 1599 OG SER A 108 20.005 -2.833 -33.982 1.00 0.00 O ATOM 0 H SER A 108 21.642 -4.300 -32.800 1.00 0.00 H new ATOM 0 HA SER A 108 23.113 -1.855 -33.157 1.00 0.00 H new ATOM 0 HB2 SER A 108 21.262 -1.400 -34.763 1.00 0.00 H new ATOM 0 HB3 SER A 108 21.797 -3.055 -34.973 1.00 0.00 H new ATOM 0 HG SER A 108 19.537 -3.046 -34.816 1.00 0.00 H new ATOM 1605 N LEU A 109 21.502 -0.012 -32.341 1.00 0.00 N ATOM 1606 CA LEU A 109 20.730 1.032 -31.658 1.00 0.00 C ATOM 1607 C LEU A 109 19.227 0.875 -31.941 1.00 0.00 C ATOM 1608 O LEU A 109 18.399 1.190 -31.090 1.00 0.00 O ATOM 1609 CB LEU A 109 21.276 2.424 -32.040 1.00 0.00 C ATOM 1610 CG LEU A 109 22.720 2.765 -31.604 1.00 0.00 C ATOM 1611 CD1 LEU A 109 22.991 2.473 -30.127 1.00 0.00 C ATOM 1612 CD2 LEU A 109 23.811 2.075 -32.429 1.00 0.00 C ATOM 0 H LEU A 109 22.092 0.342 -33.094 1.00 0.00 H new ATOM 0 HA LEU A 109 20.847 0.926 -30.580 1.00 0.00 H new ATOM 0 HB2 LEU A 109 21.219 2.522 -33.124 1.00 0.00 H new ATOM 0 HB3 LEU A 109 20.610 3.175 -31.616 1.00 0.00 H new ATOM 0 HG LEU A 109 22.775 3.838 -31.785 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.022 2.735 -29.888 1.00 0.00 H new ATOM 0 HD12 LEU A 109 22.314 3.063 -29.509 1.00 0.00 H new ATOM 0 HD13 LEU A 109 22.831 1.413 -29.930 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.791 2.370 -32.055 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.701 0.994 -32.345 1.00 0.00 H new ATOM 0 HD23 LEU A 109 23.718 2.369 -33.474 1.00 0.00 H new ATOM 1624 N GLU A 110 18.851 0.285 -33.081 1.00 0.00 N ATOM 1625 CA GLU A 110 17.464 -0.119 -33.343 1.00 0.00 C ATOM 1626 C GLU A 110 17.024 -1.208 -32.346 1.00 0.00 C ATOM 1627 O GLU A 110 15.924 -1.118 -31.805 1.00 0.00 O ATOM 1628 CB GLU A 110 17.327 -0.572 -34.804 1.00 0.00 C ATOM 1629 CG GLU A 110 15.869 -0.839 -35.197 1.00 0.00 C ATOM 1630 CD GLU A 110 15.754 -1.176 -36.695 1.00 0.00 C ATOM 1631 OE1 GLU A 110 15.837 -2.372 -37.066 1.00 0.00 O ATOM 1632 OE2 GLU A 110 15.569 -0.247 -37.520 1.00 0.00 O ATOM 0 H GLU A 110 19.494 0.075 -33.844 1.00 0.00 H new ATOM 0 HA GLU A 110 16.798 0.731 -33.196 1.00 0.00 H new ATOM 0 HB2 GLU A 110 17.743 0.193 -35.460 1.00 0.00 H new ATOM 0 HB3 GLU A 110 17.914 -1.478 -34.958 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.474 -1.664 -34.604 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.261 0.037 -34.970 1.00 0.00 H new ATOM 1639 N VAL A 111 17.898 -2.167 -31.994 1.00 0.00 N ATOM 1640 CA VAL A 111 17.612 -3.171 -30.959 1.00 0.00 C ATOM 1641 C VAL A 111 17.522 -2.536 -29.567 1.00 0.00 C ATOM 1642 O VAL A 111 16.637 -2.922 -28.808 1.00 0.00 O ATOM 1643 CB VAL A 111 18.568 -4.378 -31.018 1.00 0.00 C ATOM 1644 CG1 VAL A 111 18.353 -5.343 -29.849 1.00 0.00 C ATOM 1645 CG2 VAL A 111 18.315 -5.204 -32.290 1.00 0.00 C ATOM 0 H VAL A 111 18.820 -2.266 -32.419 1.00 0.00 H new ATOM 0 HA VAL A 111 16.625 -3.581 -31.175 1.00 0.00 H new ATOM 0 HB VAL A 111 19.574 -3.960 -30.990 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.049 -6.178 -29.933 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.526 -4.820 -28.909 1.00 0.00 H new ATOM 0 HG13 VAL A 111 17.330 -5.720 -29.872 1.00 0.00 H new ATOM 0 HG21 VAL A 111 18.999 -6.052 -32.315 1.00 0.00 H new ATOM 0 HG22 VAL A 111 17.287 -5.567 -32.290 1.00 0.00 H new ATOM 0 HG23 VAL A 111 18.479 -4.579 -33.168 1.00 0.00 H new ATOM 1655 N PHE A 112 18.329 -1.520 -29.219 1.00 0.00 N ATOM 1656 CA PHE A 112 18.110 -0.738 -27.983 1.00 0.00 C ATOM 1657 C PHE A 112 16.686 -0.158 -27.957 1.00 0.00 C ATOM 1658 O PHE A 112 15.972 -0.306 -26.966 1.00 0.00 O ATOM 1659 CB PHE A 112 19.133 0.404 -27.849 1.00 0.00 C ATOM 1660 CG PHE A 112 20.422 0.062 -27.123 1.00 0.00 C ATOM 1661 CD1 PHE A 112 20.475 0.122 -25.717 1.00 0.00 C ATOM 1662 CD2 PHE A 112 21.579 -0.284 -27.845 1.00 0.00 C ATOM 1663 CE1 PHE A 112 21.676 -0.156 -25.040 1.00 0.00 C ATOM 1664 CE2 PHE A 112 22.782 -0.552 -27.170 1.00 0.00 C ATOM 1665 CZ PHE A 112 22.831 -0.493 -25.767 1.00 0.00 C ATOM 0 H PHE A 112 19.134 -1.220 -29.769 1.00 0.00 H new ATOM 0 HA PHE A 112 18.240 -1.418 -27.141 1.00 0.00 H new ATOM 0 HB2 PHE A 112 19.385 0.758 -28.849 1.00 0.00 H new ATOM 0 HB3 PHE A 112 18.655 1.234 -27.328 1.00 0.00 H new ATOM 0 HD1 PHE A 112 19.590 0.383 -25.156 1.00 0.00 H new ATOM 0 HD2 PHE A 112 21.542 -0.344 -28.923 1.00 0.00 H new ATOM 0 HE1 PHE A 112 21.711 -0.111 -23.962 1.00 0.00 H new ATOM 0 HE2 PHE A 112 23.670 -0.804 -27.730 1.00 0.00 H new ATOM 0 HZ PHE A 112 23.754 -0.706 -25.248 1.00 0.00 H new ATOM 1675 N ARG A 113 16.231 0.420 -29.078 1.00 0.00 N ATOM 1676 CA ARG A 113 14.869 0.966 -29.232 1.00 0.00 C ATOM 1677 C ARG A 113 13.764 -0.111 -29.267 1.00 0.00 C ATOM 1678 O ARG A 113 12.624 0.196 -28.929 1.00 0.00 O ATOM 1679 CB ARG A 113 14.830 1.915 -30.449 1.00 0.00 C ATOM 1680 CG ARG A 113 15.742 3.145 -30.252 1.00 0.00 C ATOM 1681 CD ARG A 113 15.618 4.126 -31.426 1.00 0.00 C ATOM 1682 NE ARG A 113 16.327 5.394 -31.147 1.00 0.00 N ATOM 1683 CZ ARG A 113 17.376 5.904 -31.760 1.00 0.00 C ATOM 1684 NH1 ARG A 113 17.991 5.292 -32.734 1.00 0.00 N ATOM 1685 NH2 ARG A 113 17.831 7.065 -31.394 1.00 0.00 N ATOM 0 H ARG A 113 16.804 0.524 -29.916 1.00 0.00 H new ATOM 0 HA ARG A 113 14.638 1.541 -28.335 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.141 1.373 -31.342 1.00 0.00 H new ATOM 0 HB3 ARG A 113 13.805 2.247 -30.618 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.478 3.651 -29.323 1.00 0.00 H new ATOM 0 HG3 ARG A 113 16.778 2.820 -30.155 1.00 0.00 H new ATOM 0 HD2 ARG A 113 16.026 3.670 -32.328 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.565 4.331 -31.621 1.00 0.00 H new ATOM 0 HE ARG A 113 15.954 5.948 -30.376 1.00 0.00 H new ATOM 0 HH11 ARG A 113 17.663 4.379 -33.051 1.00 0.00 H new ATOM 0 HH12 ARG A 113 18.800 5.726 -33.179 1.00 0.00 H new ATOM 0 HH21 ARG A 113 17.377 7.575 -30.637 1.00 0.00 H new ATOM 0 HH22 ARG A 113 18.643 7.466 -31.864 1.00 0.00 H new ATOM 1699 N THR A 114 14.092 -1.372 -29.563 1.00 0.00 N ATOM 1700 CA THR A 114 13.190 -2.535 -29.415 1.00 0.00 C ATOM 1701 C THR A 114 13.112 -3.010 -27.962 1.00 0.00 C ATOM 1702 O THR A 114 12.021 -3.143 -27.408 1.00 0.00 O ATOM 1703 CB THR A 114 13.627 -3.716 -30.305 1.00 0.00 C ATOM 1704 OG1 THR A 114 13.740 -3.321 -31.656 1.00 0.00 O ATOM 1705 CG2 THR A 114 12.644 -4.888 -30.260 1.00 0.00 C ATOM 0 H THR A 114 15.012 -1.626 -29.921 1.00 0.00 H new ATOM 0 HA THR A 114 12.204 -2.196 -29.733 1.00 0.00 H new ATOM 0 HB THR A 114 14.590 -4.035 -29.906 1.00 0.00 H new ATOM 0 HG1 THR A 114 14.434 -2.634 -31.739 1.00 0.00 H new ATOM 0 HG21 THR A 114 13.004 -5.689 -30.905 1.00 0.00 H new ATOM 0 HG22 THR A 114 12.562 -5.255 -29.237 1.00 0.00 H new ATOM 0 HG23 THR A 114 11.665 -4.555 -30.606 1.00 0.00 H new ATOM 1713 N VAL A 115 14.261 -3.263 -27.319 1.00 0.00 N ATOM 1714 CA VAL A 115 14.348 -3.878 -25.975 1.00 0.00 C ATOM 1715 C VAL A 115 13.812 -2.942 -24.903 1.00 0.00 C ATOM 1716 O VAL A 115 13.114 -3.409 -24.005 1.00 0.00 O ATOM 1717 CB VAL A 115 15.771 -4.414 -25.673 1.00 0.00 C ATOM 1718 CG1 VAL A 115 15.830 -5.040 -24.270 1.00 0.00 C ATOM 1719 CG2 VAL A 115 16.170 -5.498 -26.686 1.00 0.00 C ATOM 0 H VAL A 115 15.173 -3.045 -27.719 1.00 0.00 H new ATOM 0 HA VAL A 115 13.700 -4.754 -25.965 1.00 0.00 H new ATOM 0 HB VAL A 115 16.455 -3.568 -25.737 1.00 0.00 H new ATOM 0 HG11 VAL A 115 16.837 -5.410 -24.079 1.00 0.00 H new ATOM 0 HG12 VAL A 115 15.572 -4.288 -23.525 1.00 0.00 H new ATOM 0 HG13 VAL A 115 15.123 -5.867 -24.211 1.00 0.00 H new ATOM 0 HG21 VAL A 115 17.172 -5.860 -26.456 1.00 0.00 H new ATOM 0 HG22 VAL A 115 15.463 -6.326 -26.630 1.00 0.00 H new ATOM 0 HG23 VAL A 115 16.158 -5.078 -27.692 1.00 0.00 H new ATOM 1729 N ARG A 116 13.976 -1.622 -25.055 1.00 0.00 N ATOM 1730 CA ARG A 116 13.345 -0.636 -24.152 1.00 0.00 C ATOM 1731 C ARG A 116 11.817 -0.782 -24.087 1.00 0.00 C ATOM 1732 O ARG A 116 11.238 -0.760 -23.009 1.00 0.00 O ATOM 1733 CB ARG A 116 13.820 0.779 -24.545 1.00 0.00 C ATOM 1734 CG ARG A 116 13.055 1.443 -25.701 1.00 0.00 C ATOM 1735 CD ARG A 116 13.631 2.809 -26.082 1.00 0.00 C ATOM 1736 NE ARG A 116 12.865 3.379 -27.213 1.00 0.00 N ATOM 1737 CZ ARG A 116 13.152 4.464 -27.908 1.00 0.00 C ATOM 1738 NH1 ARG A 116 14.181 5.200 -27.639 1.00 0.00 N ATOM 1739 NH2 ARG A 116 12.418 4.831 -28.914 1.00 0.00 N ATOM 0 H ARG A 116 14.541 -1.206 -25.795 1.00 0.00 H new ATOM 0 HA ARG A 116 13.668 -0.828 -23.129 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.747 1.423 -23.669 1.00 0.00 H new ATOM 0 HB3 ARG A 116 14.875 0.726 -24.815 1.00 0.00 H new ATOM 0 HG2 ARG A 116 13.079 0.787 -26.571 1.00 0.00 H new ATOM 0 HG3 ARG A 116 12.009 1.560 -25.419 1.00 0.00 H new ATOM 0 HD2 ARG A 116 13.589 3.483 -25.226 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.681 2.707 -26.357 1.00 0.00 H new ATOM 0 HE ARG A 116 12.020 2.877 -27.486 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.801 4.948 -26.869 1.00 0.00 H new ATOM 0 HH12 ARG A 116 14.373 6.032 -28.197 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.603 4.278 -29.180 1.00 0.00 H new ATOM 0 HH22 ARG A 116 12.656 5.673 -29.439 1.00 0.00 H new ATOM 1753 N GLY A 117 11.177 -1.058 -25.228 1.00 0.00 N ATOM 1754 CA GLY A 117 9.735 -1.320 -25.320 1.00 0.00 C ATOM 1755 C GLY A 117 9.335 -2.667 -24.713 1.00 0.00 C ATOM 1756 O GLY A 117 8.293 -2.761 -24.068 1.00 0.00 O ATOM 0 H GLY A 117 11.653 -1.107 -26.129 1.00 0.00 H new ATOM 0 HA2 GLY A 117 9.193 -0.523 -24.812 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.432 -1.294 -26.367 1.00 0.00 H new ATOM 1760 N GLN A 118 10.204 -3.684 -24.805 1.00 0.00 N ATOM 1761 CA GLN A 118 9.959 -4.997 -24.188 1.00 0.00 C ATOM 1762 C GLN A 118 10.039 -4.914 -22.662 1.00 0.00 C ATOM 1763 O GLN A 118 9.206 -5.492 -21.966 1.00 0.00 O ATOM 1764 CB GLN A 118 10.915 -6.077 -24.744 1.00 0.00 C ATOM 1765 CG GLN A 118 11.024 -6.195 -26.277 1.00 0.00 C ATOM 1766 CD GLN A 118 9.709 -5.999 -27.030 1.00 0.00 C ATOM 1767 OE1 GLN A 118 8.810 -6.824 -26.986 1.00 0.00 O ATOM 1768 NE2 GLN A 118 9.550 -4.898 -27.740 1.00 0.00 N ATOM 0 H GLN A 118 11.091 -3.621 -25.305 1.00 0.00 H new ATOM 0 HA GLN A 118 8.945 -5.297 -24.452 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.912 -5.883 -24.348 1.00 0.00 H new ATOM 0 HB3 GLN A 118 10.599 -7.043 -24.352 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.744 -5.458 -26.634 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.425 -7.178 -26.524 1.00 0.00 H new ATOM 0 HE21 GLN A 118 10.297 -4.205 -27.781 1.00 0.00 H new ATOM 0 HE22 GLN A 118 8.680 -4.740 -28.248 1.00 0.00 H new ATOM 1777 N VAL A 119 10.989 -4.136 -22.138 1.00 0.00 N ATOM 1778 CA VAL A 119 11.063 -3.780 -20.706 1.00 0.00 C ATOM 1779 C VAL A 119 9.849 -2.948 -20.285 1.00 0.00 C ATOM 1780 O VAL A 119 9.207 -3.303 -19.305 1.00 0.00 O ATOM 1781 CB VAL A 119 12.389 -3.052 -20.408 1.00 0.00 C ATOM 1782 CG1 VAL A 119 12.479 -2.521 -18.970 1.00 0.00 C ATOM 1783 CG2 VAL A 119 13.586 -3.993 -20.606 1.00 0.00 C ATOM 0 H VAL A 119 11.739 -3.728 -22.696 1.00 0.00 H new ATOM 0 HA VAL A 119 11.043 -4.695 -20.114 1.00 0.00 H new ATOM 0 HB VAL A 119 12.414 -2.214 -21.104 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.436 -2.020 -18.826 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.669 -1.814 -18.792 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.396 -3.352 -18.269 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.510 -3.457 -20.390 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.495 -4.845 -19.932 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.604 -4.346 -21.637 1.00 0.00 H new ATOM 1793 N LYS A 120 9.470 -1.908 -21.039 1.00 0.00 N ATOM 1794 CA LYS A 120 8.291 -1.050 -20.779 1.00 0.00 C ATOM 1795 C LYS A 120 6.994 -1.846 -20.666 1.00 0.00 C ATOM 1796 O LYS A 120 6.293 -1.663 -19.687 1.00 0.00 O ATOM 1797 CB LYS A 120 8.234 0.042 -21.868 1.00 0.00 C ATOM 1798 CG LYS A 120 7.130 1.092 -21.655 1.00 0.00 C ATOM 1799 CD LYS A 120 5.829 0.815 -22.427 1.00 0.00 C ATOM 1800 CE LYS A 120 4.902 2.033 -22.298 1.00 0.00 C ATOM 1801 NZ LYS A 120 3.589 1.806 -22.961 1.00 0.00 N ATOM 0 H LYS A 120 9.986 -1.626 -21.873 1.00 0.00 H new ATOM 0 HA LYS A 120 8.401 -0.575 -19.804 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.198 0.549 -21.909 1.00 0.00 H new ATOM 0 HB3 LYS A 120 8.084 -0.435 -22.837 1.00 0.00 H new ATOM 0 HG2 LYS A 120 6.901 1.149 -20.591 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.513 2.069 -21.952 1.00 0.00 H new ATOM 0 HD2 LYS A 120 6.049 0.618 -23.476 1.00 0.00 H new ATOM 0 HD3 LYS A 120 5.339 -0.075 -22.032 1.00 0.00 H new ATOM 0 HE2 LYS A 120 4.742 2.257 -21.243 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.385 2.905 -22.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 3.157 2.722 -23.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 3.730 1.253 -23.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 2.961 1.284 -22.317 1.00 0.00 H new ATOM 1815 N GLU A 121 6.684 -2.770 -21.572 1.00 0.00 N ATOM 1816 CA GLU A 121 5.440 -3.570 -21.450 1.00 0.00 C ATOM 1817 C GLU A 121 5.477 -4.548 -20.261 1.00 0.00 C ATOM 1818 O GLU A 121 4.444 -4.863 -19.664 1.00 0.00 O ATOM 1819 CB GLU A 121 5.098 -4.272 -22.775 1.00 0.00 C ATOM 1820 CG GLU A 121 6.074 -5.387 -23.172 1.00 0.00 C ATOM 1821 CD GLU A 121 5.691 -6.138 -24.465 1.00 0.00 C ATOM 1822 OE1 GLU A 121 4.921 -5.612 -25.306 1.00 0.00 O ATOM 1823 OE2 GLU A 121 6.185 -7.278 -24.644 1.00 0.00 O ATOM 0 H GLU A 121 7.255 -2.990 -22.388 1.00 0.00 H new ATOM 0 HA GLU A 121 4.631 -2.872 -21.233 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.095 -4.693 -22.701 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.073 -3.527 -23.571 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.067 -4.956 -23.297 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.138 -6.105 -22.355 1.00 0.00 H new ATOM 1830 N ARG A 122 6.679 -4.988 -19.864 1.00 0.00 N ATOM 1831 CA ARG A 122 6.899 -5.824 -18.671 1.00 0.00 C ATOM 1832 C ARG A 122 6.702 -5.030 -17.381 1.00 0.00 C ATOM 1833 O ARG A 122 5.883 -5.428 -16.558 1.00 0.00 O ATOM 1834 CB ARG A 122 8.244 -6.562 -18.790 1.00 0.00 C ATOM 1835 CG ARG A 122 8.070 -7.749 -19.757 1.00 0.00 C ATOM 1836 CD ARG A 122 9.392 -8.281 -20.329 1.00 0.00 C ATOM 1837 NE ARG A 122 9.136 -9.324 -21.353 1.00 0.00 N ATOM 1838 CZ ARG A 122 8.568 -9.165 -22.539 1.00 0.00 C ATOM 1839 NH1 ARG A 122 8.275 -7.992 -23.009 1.00 0.00 N ATOM 1840 NH2 ARG A 122 8.262 -10.188 -23.281 1.00 0.00 N ATOM 0 H ARG A 122 7.539 -4.771 -20.368 1.00 0.00 H new ATOM 0 HA ARG A 122 6.137 -6.601 -18.617 1.00 0.00 H new ATOM 0 HB2 ARG A 122 9.016 -5.885 -19.157 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.569 -6.916 -17.812 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.559 -8.558 -19.236 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.425 -7.443 -20.581 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.959 -7.462 -20.771 1.00 0.00 H new ATOM 0 HD3 ARG A 122 10.002 -8.694 -19.526 1.00 0.00 H new ATOM 0 HE ARG A 122 9.431 -10.271 -21.117 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.482 -7.157 -22.461 1.00 0.00 H new ATOM 0 HH12 ARG A 122 7.838 -7.905 -23.926 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.459 -11.133 -22.953 1.00 0.00 H new ATOM 0 HH22 ARG A 122 7.825 -10.045 -24.192 1.00 0.00 H new ATOM 1854 N VAL A 123 7.319 -3.850 -17.246 1.00 0.00 N ATOM 1855 CA VAL A 123 7.017 -2.930 -16.127 1.00 0.00 C ATOM 1856 C VAL A 123 5.558 -2.470 -16.112 1.00 0.00 C ATOM 1857 O VAL A 123 4.949 -2.476 -15.050 1.00 0.00 O ATOM 1858 CB VAL A 123 8.005 -1.751 -16.036 1.00 0.00 C ATOM 1859 CG1 VAL A 123 9.443 -2.232 -15.801 1.00 0.00 C ATOM 1860 CG2 VAL A 123 8.039 -0.822 -17.227 1.00 0.00 C ATOM 0 H VAL A 123 8.029 -3.505 -17.892 1.00 0.00 H new ATOM 0 HA VAL A 123 7.160 -3.516 -15.219 1.00 0.00 H new ATOM 0 HB VAL A 123 7.616 -1.185 -15.189 1.00 0.00 H new ATOM 0 HG11 VAL A 123 10.110 -1.372 -15.743 1.00 0.00 H new ATOM 0 HG12 VAL A 123 9.491 -2.792 -14.867 1.00 0.00 H new ATOM 0 HG13 VAL A 123 9.751 -2.874 -16.626 1.00 0.00 H new ATOM 0 HG21 VAL A 123 8.769 -0.032 -17.051 1.00 0.00 H new ATOM 0 HG22 VAL A 123 8.319 -1.383 -18.118 1.00 0.00 H new ATOM 0 HG23 VAL A 123 7.053 -0.380 -17.372 1.00 0.00 H new ATOM 1870 N GLU A 124 4.942 -2.152 -17.256 1.00 0.00 N ATOM 1871 CA GLU A 124 3.565 -1.678 -17.321 1.00 0.00 C ATOM 1872 C GLU A 124 2.561 -2.729 -16.842 1.00 0.00 C ATOM 1873 O GLU A 124 1.778 -2.443 -15.939 1.00 0.00 O ATOM 1874 CB GLU A 124 3.252 -1.243 -18.762 1.00 0.00 C ATOM 1875 CG GLU A 124 2.139 -0.212 -18.779 1.00 0.00 C ATOM 1876 CD GLU A 124 1.499 -0.088 -20.175 1.00 0.00 C ATOM 1877 OE1 GLU A 124 2.207 0.286 -21.140 1.00 0.00 O ATOM 1878 OE2 GLU A 124 0.282 -0.364 -20.314 1.00 0.00 O ATOM 0 H GLU A 124 5.394 -2.219 -18.168 1.00 0.00 H new ATOM 0 HA GLU A 124 3.466 -0.828 -16.645 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.147 -0.827 -19.225 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.961 -2.110 -19.354 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.376 -0.489 -18.052 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.535 0.756 -18.473 1.00 0.00 H new ATOM 1885 N ASN A 125 2.611 -3.961 -17.369 1.00 0.00 N ATOM 1886 CA ASN A 125 1.645 -4.990 -16.970 1.00 0.00 C ATOM 1887 C ASN A 125 1.855 -5.460 -15.518 1.00 0.00 C ATOM 1888 O ASN A 125 0.880 -5.771 -14.836 1.00 0.00 O ATOM 1889 CB ASN A 125 1.588 -6.132 -18.006 1.00 0.00 C ATOM 1890 CG ASN A 125 2.507 -7.297 -17.686 1.00 0.00 C ATOM 1891 OD1 ASN A 125 2.159 -8.215 -16.958 1.00 0.00 O ATOM 1892 ND2 ASN A 125 3.716 -7.282 -18.189 1.00 0.00 N ATOM 0 H ASN A 125 3.297 -4.264 -18.060 1.00 0.00 H new ATOM 0 HA ASN A 125 0.652 -4.540 -16.969 1.00 0.00 H new ATOM 0 HB2 ASN A 125 0.563 -6.498 -18.074 1.00 0.00 H new ATOM 0 HB3 ASN A 125 1.850 -5.734 -18.986 1.00 0.00 H new ATOM 0 HD21 ASN A 125 4.368 -8.037 -17.973 1.00 0.00 H new ATOM 0 HD22 ASN A 125 4.006 -6.516 -18.797 1.00 0.00 H new ATOM 1899 N LEU A 126 3.100 -5.427 -15.018 1.00 0.00 N ATOM 1900 CA LEU A 126 3.421 -5.642 -13.602 1.00 0.00 C ATOM 1901 C LEU A 126 2.807 -4.542 -12.729 1.00 0.00 C ATOM 1902 O LEU A 126 2.135 -4.835 -11.747 1.00 0.00 O ATOM 1903 CB LEU A 126 4.953 -5.764 -13.454 1.00 0.00 C ATOM 1904 CG LEU A 126 5.554 -5.968 -12.048 1.00 0.00 C ATOM 1905 CD1 LEU A 126 5.704 -4.673 -11.249 1.00 0.00 C ATOM 1906 CD2 LEU A 126 4.782 -6.984 -11.202 1.00 0.00 C ATOM 0 H LEU A 126 3.922 -5.248 -15.595 1.00 0.00 H new ATOM 0 HA LEU A 126 2.979 -6.573 -13.247 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.278 -6.598 -14.075 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.397 -4.862 -13.874 1.00 0.00 H new ATOM 0 HG LEU A 126 6.549 -6.363 -12.253 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.133 -4.896 -10.272 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.361 -3.988 -11.786 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.726 -4.210 -11.119 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.257 -7.080 -10.226 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.754 -6.644 -11.074 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.784 -7.952 -11.704 1.00 0.00 H new ATOM 1918 N ILE A 127 3.001 -3.273 -13.077 1.00 0.00 N ATOM 1919 CA ILE A 127 2.532 -2.163 -12.235 1.00 0.00 C ATOM 1920 C ILE A 127 1.003 -2.069 -12.270 1.00 0.00 C ATOM 1921 O ILE A 127 0.380 -1.899 -11.223 1.00 0.00 O ATOM 1922 CB ILE A 127 3.245 -0.858 -12.641 1.00 0.00 C ATOM 1923 CG1 ILE A 127 4.748 -0.968 -12.283 1.00 0.00 C ATOM 1924 CG2 ILE A 127 2.644 0.388 -11.956 1.00 0.00 C ATOM 1925 CD1 ILE A 127 5.641 0.035 -13.018 1.00 0.00 C ATOM 0 H ILE A 127 3.477 -2.983 -13.931 1.00 0.00 H new ATOM 0 HA ILE A 127 2.794 -2.348 -11.193 1.00 0.00 H new ATOM 0 HB ILE A 127 3.109 -0.732 -13.715 1.00 0.00 H new ATOM 0 HG12 ILE A 127 4.866 -0.824 -11.209 1.00 0.00 H new ATOM 0 HG13 ILE A 127 5.091 -1.978 -12.509 1.00 0.00 H new ATOM 0 HG21 ILE A 127 3.185 1.277 -12.279 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.593 0.483 -12.230 1.00 0.00 H new ATOM 0 HG23 ILE A 127 2.728 0.285 -10.874 1.00 0.00 H new ATOM 0 HD11 ILE A 127 6.677 -0.108 -12.712 1.00 0.00 H new ATOM 0 HD12 ILE A 127 5.556 -0.122 -14.093 1.00 0.00 H new ATOM 0 HD13 ILE A 127 5.327 1.050 -12.773 1.00 0.00 H new ATOM 1937 N ALA A 128 0.383 -2.270 -13.436 1.00 0.00 N ATOM 1938 CA ALA A 128 -1.068 -2.220 -13.619 1.00 0.00 C ATOM 1939 C ALA A 128 -1.839 -3.269 -12.791 1.00 0.00 C ATOM 1940 O ALA A 128 -2.992 -3.023 -12.427 1.00 0.00 O ATOM 1941 CB ALA A 128 -1.358 -2.367 -15.117 1.00 0.00 C ATOM 0 H ALA A 128 0.888 -2.477 -14.298 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.426 -1.261 -13.245 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.435 -2.333 -15.284 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.881 -1.552 -15.662 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.965 -3.320 -15.472 1.00 0.00 H new ATOM 1947 N LYS A 129 -1.205 -4.406 -12.456 1.00 0.00 N ATOM 1948 CA LYS A 129 -1.797 -5.458 -11.603 1.00 0.00 C ATOM 1949 C LYS A 129 -1.521 -5.308 -10.097 1.00 0.00 C ATOM 1950 O LYS A 129 -2.256 -5.902 -9.309 1.00 0.00 O ATOM 1951 CB LYS A 129 -1.462 -6.863 -12.137 1.00 0.00 C ATOM 1952 CG LYS A 129 -0.013 -7.310 -11.909 1.00 0.00 C ATOM 1953 CD LYS A 129 0.204 -8.729 -12.444 1.00 0.00 C ATOM 1954 CE LYS A 129 1.664 -9.154 -12.249 1.00 0.00 C ATOM 1955 NZ LYS A 129 1.848 -10.586 -12.626 1.00 0.00 N ATOM 0 H LYS A 129 -0.260 -4.625 -12.771 1.00 0.00 H new ATOM 0 HA LYS A 129 -2.875 -5.319 -11.677 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -2.128 -7.584 -11.664 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.671 -6.889 -13.206 1.00 0.00 H new ATOM 0 HG2 LYS A 129 0.669 -6.620 -12.406 1.00 0.00 H new ATOM 0 HG3 LYS A 129 0.220 -7.277 -10.845 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -0.457 -9.425 -11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -0.055 -8.770 -13.502 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.316 -8.526 -12.856 1.00 0.00 H new ATOM 0 HE3 LYS A 129 1.956 -9.005 -11.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 2.858 -10.829 -12.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 1.320 -11.190 -11.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 1.494 -10.739 -13.592 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.515 -4.518 -9.690 1.00 0.00 N ATOM 1970 CA ILE A 130 -0.198 -4.299 -8.257 1.00 0.00 C ATOM 1971 C ILE A 130 -0.644 -2.931 -7.705 1.00 0.00 C ATOM 1972 O ILE A 130 -0.713 -2.770 -6.483 1.00 0.00 O ATOM 1973 CB ILE A 130 1.287 -4.591 -7.936 1.00 0.00 C ATOM 1974 CG1 ILE A 130 2.226 -3.518 -8.525 1.00 0.00 C ATOM 1975 CG2 ILE A 130 1.670 -6.011 -8.393 1.00 0.00 C ATOM 1976 CD1 ILE A 130 3.713 -3.726 -8.211 1.00 0.00 C ATOM 0 H ILE A 130 0.099 -4.015 -10.331 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.805 -5.032 -7.725 1.00 0.00 H new ATOM 0 HB ILE A 130 1.412 -4.545 -6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.097 -3.496 -9.607 1.00 0.00 H new ATOM 0 HG13 ILE A 130 1.922 -2.542 -8.148 1.00 0.00 H new ATOM 0 HG21 ILE A 130 2.718 -6.198 -8.159 1.00 0.00 H new ATOM 0 HG22 ILE A 130 1.047 -6.740 -7.876 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.517 -6.101 -9.468 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.296 -2.925 -8.665 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.862 -3.716 -7.131 1.00 0.00 H new ATOM 0 HD13 ILE A 130 4.039 -4.685 -8.613 1.00 0.00 H new ATOM 1988 N SER A 131 -0.938 -1.955 -8.576 1.00 0.00 N ATOM 1989 CA SER A 131 -1.403 -0.602 -8.198 1.00 0.00 C ATOM 1990 C SER A 131 -2.773 -0.612 -7.506 1.00 0.00 C ATOM 1991 O SER A 131 -3.712 -1.267 -8.018 1.00 0.00 O ATOM 1992 CB SER A 131 -1.456 0.324 -9.410 1.00 0.00 C ATOM 1993 OG SER A 131 -0.159 0.446 -9.959 1.00 0.00 O ATOM 1994 OXT SER A 131 -2.916 0.063 -6.460 1.00 0.00 O ATOM 0 H SER A 131 -0.859 -2.081 -9.585 1.00 0.00 H new ATOM 0 HA SER A 131 -0.671 -0.227 -7.483 1.00 0.00 H new ATOM 0 HB2 SER A 131 -2.144 -0.073 -10.156 1.00 0.00 H new ATOM 0 HB3 SER A 131 -1.834 1.304 -9.118 1.00 0.00 H new ATOM 0 HG SER A 131 0.022 -0.320 -10.543 1.00 0.00 H new TER 2000 SER A 131