USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 540 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 27 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 29 LYS NZ :NH3+ -173:sc= -0.0531 (180deg=-0.158) USER MOD Set 2.2: A 31 LYS NZ :NH3+ 168:sc= -0.166 (180deg=-0.411) USER MOD Set 3.1: A 15 HIS : no HD1:sc= -0.693 K(o=-0.69,f=-3.5!) USER MOD Set 3.2: A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0992 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0681 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.024) USER MOD Single : A 44 MET CE :methyl 151:sc= -0.245 (180deg=-1.05) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.1!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 54 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00281) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.683 -19.722 27.065 1.00 0.00 N ATOM 2 CA GLY A 1 2.830 -20.816 26.639 1.00 0.00 C ATOM 3 C GLY A 1 2.638 -20.849 25.135 1.00 0.00 C ATOM 4 O GLY A 1 3.294 -20.109 24.402 1.00 0.00 O ATOM 0 H1 GLY A 1 4.472 -20.096 27.630 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.059 -19.229 26.230 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.131 -19.055 27.641 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.264 -21.760 26.968 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.858 -20.725 27.124 1.00 0.00 H new ATOM 8 N SER A 2 1.737 -21.710 24.675 1.00 0.00 N ATOM 9 CA SER A 2 1.464 -21.841 23.248 1.00 0.00 C ATOM 10 C SER A 2 0.651 -20.654 22.740 1.00 0.00 C ATOM 11 O SER A 2 -0.508 -20.475 23.115 1.00 0.00 O ATOM 12 CB SER A 2 0.714 -23.145 22.968 1.00 0.00 C ATOM 13 OG SER A 2 1.593 -24.255 22.994 1.00 0.00 O ATOM 0 H SER A 2 1.183 -22.327 25.269 1.00 0.00 H new ATOM 0 HA SER A 2 2.418 -21.859 22.721 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.072 -23.282 23.710 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.227 -23.086 21.995 1.00 0.00 H new ATOM 0 HG SER A 2 1.089 -25.076 22.814 1.00 0.00 H new ATOM 19 N SER A 3 1.268 -19.846 21.883 1.00 0.00 N ATOM 20 CA SER A 3 0.604 -18.673 21.325 1.00 0.00 C ATOM 21 C SER A 3 1.222 -18.287 19.985 1.00 0.00 C ATOM 22 O SER A 3 2.435 -18.121 19.872 1.00 0.00 O ATOM 23 CB SER A 3 0.695 -17.498 22.300 1.00 0.00 C ATOM 24 OG SER A 3 -0.422 -16.637 22.166 1.00 0.00 O ATOM 0 H SER A 3 2.226 -19.982 21.560 1.00 0.00 H new ATOM 0 HA SER A 3 -0.445 -18.921 21.164 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.749 -17.873 23.322 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.613 -16.939 22.117 1.00 0.00 H new ATOM 0 HG SER A 3 -0.341 -15.895 22.801 1.00 0.00 H new ATOM 30 N GLY A 4 0.375 -18.145 18.969 1.00 0.00 N ATOM 31 CA GLY A 4 0.854 -17.779 17.649 1.00 0.00 C ATOM 32 C GLY A 4 1.146 -16.296 17.529 1.00 0.00 C ATOM 33 O GLY A 4 0.643 -15.492 18.313 1.00 0.00 O ATOM 0 H GLY A 4 -0.634 -18.277 19.037 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.759 -18.344 17.425 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.110 -18.061 16.905 1.00 0.00 H new ATOM 37 N SER A 5 1.963 -15.933 16.545 1.00 0.00 N ATOM 38 CA SER A 5 2.326 -14.538 16.328 1.00 0.00 C ATOM 39 C SER A 5 2.477 -14.241 14.840 1.00 0.00 C ATOM 40 O SER A 5 3.081 -15.016 14.099 1.00 0.00 O ATOM 41 CB SER A 5 3.628 -14.208 17.061 1.00 0.00 C ATOM 42 OG SER A 5 3.947 -12.832 16.939 1.00 0.00 O ATOM 0 H SER A 5 2.386 -16.586 15.886 1.00 0.00 H new ATOM 0 HA SER A 5 1.526 -13.914 16.725 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.533 -14.470 18.115 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.441 -14.810 16.655 1.00 0.00 H new ATOM 0 HG SER A 5 4.782 -12.646 17.417 1.00 0.00 H new ATOM 48 N SER A 6 1.923 -13.112 14.409 1.00 0.00 N ATOM 49 CA SER A 6 1.992 -12.713 13.008 1.00 0.00 C ATOM 50 C SER A 6 2.982 -11.568 12.817 1.00 0.00 C ATOM 51 O SER A 6 3.061 -10.657 13.640 1.00 0.00 O ATOM 52 CB SER A 6 0.609 -12.295 12.506 1.00 0.00 C ATOM 53 OG SER A 6 0.054 -11.280 13.326 1.00 0.00 O ATOM 0 H SER A 6 1.422 -12.458 15.010 1.00 0.00 H new ATOM 0 HA SER A 6 2.337 -13.569 12.429 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.684 -11.937 11.479 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.054 -13.160 12.494 1.00 0.00 H new ATOM 0 HG SER A 6 -0.829 -11.029 12.983 1.00 0.00 H new ATOM 59 N GLY A 7 3.737 -11.622 11.724 1.00 0.00 N ATOM 60 CA GLY A 7 4.713 -10.585 11.444 1.00 0.00 C ATOM 61 C GLY A 7 4.066 -9.252 11.124 1.00 0.00 C ATOM 62 O GLY A 7 4.293 -8.261 11.818 1.00 0.00 O ATOM 0 H GLY A 7 3.690 -12.366 11.027 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.372 -10.468 12.304 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.336 -10.894 10.605 1.00 0.00 H new ATOM 66 N PHE A 8 3.258 -9.226 10.069 1.00 0.00 N ATOM 67 CA PHE A 8 2.579 -8.003 9.656 1.00 0.00 C ATOM 68 C PHE A 8 1.069 -8.217 9.589 1.00 0.00 C ATOM 69 O PHE A 8 0.587 -9.347 9.669 1.00 0.00 O ATOM 70 CB PHE A 8 3.101 -7.539 8.295 1.00 0.00 C ATOM 71 CG PHE A 8 4.512 -7.025 8.338 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.571 -7.890 8.565 1.00 0.00 C ATOM 73 CD2 PHE A 8 4.779 -5.679 8.151 1.00 0.00 C ATOM 74 CE1 PHE A 8 6.870 -7.420 8.606 1.00 0.00 C ATOM 75 CE2 PHE A 8 6.077 -5.203 8.191 1.00 0.00 C ATOM 76 CZ PHE A 8 7.123 -6.075 8.417 1.00 0.00 C ATOM 0 H PHE A 8 3.057 -10.038 9.485 1.00 0.00 H new ATOM 0 HA PHE A 8 2.787 -7.232 10.398 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.047 -8.370 7.591 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.448 -6.754 7.913 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.379 -8.943 8.711 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.964 -4.993 7.972 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.687 -8.104 8.786 1.00 0.00 H new ATOM 0 HE2 PHE A 8 6.272 -4.151 8.046 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.138 -5.706 8.446 1.00 0.00 H new ATOM 86 N CYS A 9 0.330 -7.124 9.441 1.00 0.00 N ATOM 87 CA CYS A 9 -1.126 -7.190 9.364 1.00 0.00 C ATOM 88 C CYS A 9 -1.579 -7.551 7.953 1.00 0.00 C ATOM 89 O CYS A 9 -2.469 -8.380 7.769 1.00 0.00 O ATOM 90 CB CYS A 9 -1.741 -5.854 9.784 1.00 0.00 C ATOM 91 SG CYS A 9 -3.548 -5.831 9.752 1.00 0.00 S ATOM 0 H CYS A 9 0.714 -6.182 9.372 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.467 -7.969 10.046 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.403 -5.611 10.791 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.367 -5.071 9.125 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.974 -4.661 10.125 1.00 0.00 H new ATOM 97 N GLY A 10 -0.962 -6.920 6.959 1.00 0.00 N ATOM 98 CA GLY A 10 -1.317 -7.187 5.577 1.00 0.00 C ATOM 99 C GLY A 10 -0.413 -6.467 4.597 1.00 0.00 C ATOM 100 O GLY A 10 0.538 -5.795 4.997 1.00 0.00 O ATOM 0 H GLY A 10 -0.223 -6.229 7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.266 -8.260 5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.349 -6.883 5.405 1.00 0.00 H new ATOM 104 N ARG A 11 -0.708 -6.608 3.309 1.00 0.00 N ATOM 105 CA ARG A 11 0.087 -5.967 2.268 1.00 0.00 C ATOM 106 C ARG A 11 -0.746 -4.948 1.496 1.00 0.00 C ATOM 107 O ARG A 11 -1.953 -4.833 1.705 1.00 0.00 O ATOM 108 CB ARG A 11 0.647 -7.017 1.306 1.00 0.00 C ATOM 109 CG ARG A 11 1.705 -7.912 1.930 1.00 0.00 C ATOM 110 CD ARG A 11 2.560 -8.587 0.870 1.00 0.00 C ATOM 111 NE ARG A 11 3.320 -9.710 1.412 1.00 0.00 N ATOM 112 CZ ARG A 11 3.748 -10.731 0.678 1.00 0.00 C ATOM 113 NH1 ARG A 11 3.492 -10.770 -0.622 1.00 0.00 N ATOM 114 NH2 ARG A 11 4.434 -11.716 1.245 1.00 0.00 N ATOM 0 H ARG A 11 -1.492 -7.160 2.961 1.00 0.00 H new ATOM 0 HA ARG A 11 0.914 -5.444 2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.172 -7.637 0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.075 -6.512 0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.341 -7.321 2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.223 -8.670 2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.922 -8.939 0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.247 -7.858 0.441 1.00 0.00 H new ATOM 0 HE ARG A 11 3.534 -9.710 2.409 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.965 -10.015 -1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.822 -11.555 -1.183 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.633 -11.689 2.245 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.762 -12.500 0.681 1.00 0.00 H new ATOM 128 N ALA A 12 -0.093 -4.211 0.604 1.00 0.00 N ATOM 129 CA ALA A 12 -0.773 -3.203 -0.199 1.00 0.00 C ATOM 130 C ALA A 12 -0.161 -3.107 -1.592 1.00 0.00 C ATOM 131 O ALA A 12 1.060 -3.085 -1.744 1.00 0.00 O ATOM 132 CB ALA A 12 -0.722 -1.850 0.497 1.00 0.00 C ATOM 0 H ALA A 12 0.907 -4.293 0.419 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.815 -3.503 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.234 -1.107 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.213 -1.921 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.317 -1.552 0.637 1.00 0.00 H new ATOM 138 N ARG A 13 -1.018 -3.050 -2.607 1.00 0.00 N ATOM 139 CA ARG A 13 -0.561 -2.958 -3.988 1.00 0.00 C ATOM 140 C ARG A 13 -0.912 -1.600 -4.588 1.00 0.00 C ATOM 141 O ARG A 13 -2.084 -1.236 -4.683 1.00 0.00 O ATOM 142 CB ARG A 13 -1.182 -4.075 -4.829 1.00 0.00 C ATOM 143 CG ARG A 13 -0.509 -4.269 -6.178 1.00 0.00 C ATOM 144 CD ARG A 13 -1.188 -5.362 -6.988 1.00 0.00 C ATOM 145 NE ARG A 13 -0.730 -6.694 -6.603 1.00 0.00 N ATOM 146 CZ ARG A 13 -1.445 -7.799 -6.785 1.00 0.00 C ATOM 147 NH1 ARG A 13 -2.645 -7.731 -7.344 1.00 0.00 N ATOM 148 NH2 ARG A 13 -0.959 -8.975 -6.409 1.00 0.00 N ATOM 0 H ARG A 13 -2.032 -3.066 -2.498 1.00 0.00 H new ATOM 0 HA ARG A 13 0.523 -3.069 -3.993 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.132 -5.009 -4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.238 -3.855 -4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.534 -3.333 -6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.540 -4.524 -6.029 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.267 -5.297 -6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.990 -5.203 -8.048 1.00 0.00 H new ATOM 0 HE ARG A 13 0.190 -6.781 -6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.021 -6.829 -7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.192 -8.581 -7.483 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.035 -9.031 -5.980 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.509 -9.823 -6.549 1.00 0.00 H new ATOM 162 N VAL A 14 0.112 -0.854 -4.991 1.00 0.00 N ATOM 163 CA VAL A 14 -0.089 0.464 -5.582 1.00 0.00 C ATOM 164 C VAL A 14 -0.651 0.353 -6.994 1.00 0.00 C ATOM 165 O VAL A 14 0.022 -0.127 -7.907 1.00 0.00 O ATOM 166 CB VAL A 14 1.226 1.265 -5.626 1.00 0.00 C ATOM 167 CG1 VAL A 14 1.042 2.551 -6.417 1.00 0.00 C ATOM 168 CG2 VAL A 14 1.717 1.561 -4.217 1.00 0.00 C ATOM 0 H VAL A 14 1.089 -1.140 -4.919 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.805 0.989 -4.950 1.00 0.00 H new ATOM 0 HB VAL A 14 1.982 0.662 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.981 3.103 -6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.740 2.311 -7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.272 3.161 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.647 2.127 -4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.965 2.144 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.891 0.624 -3.688 1.00 0.00 H new ATOM 178 N HIS A 15 -1.891 0.801 -7.169 1.00 0.00 N ATOM 179 CA HIS A 15 -2.545 0.753 -8.471 1.00 0.00 C ATOM 180 C HIS A 15 -2.288 2.037 -9.255 1.00 0.00 C ATOM 181 O HIS A 15 -2.259 2.030 -10.487 1.00 0.00 O ATOM 182 CB HIS A 15 -4.049 0.537 -8.303 1.00 0.00 C ATOM 183 CG HIS A 15 -4.635 1.280 -7.142 1.00 0.00 C ATOM 184 ND1 HIS A 15 -5.197 2.534 -7.258 1.00 0.00 N ATOM 185 CD2 HIS A 15 -4.745 0.939 -5.837 1.00 0.00 C ATOM 186 CE1 HIS A 15 -5.626 2.933 -6.074 1.00 0.00 C ATOM 187 NE2 HIS A 15 -5.364 1.983 -5.194 1.00 0.00 N ATOM 0 H HIS A 15 -2.462 1.201 -6.425 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.126 -0.084 -9.030 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.557 0.848 -9.216 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -4.243 -0.528 -8.177 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.409 0.017 -5.385 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.109 3.875 -5.862 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.585 2.019 -4.199 1.00 0.00 H new ATOM 195 N THR A 16 -2.104 3.138 -8.534 1.00 0.00 N ATOM 196 CA THR A 16 -1.852 4.429 -9.162 1.00 0.00 C ATOM 197 C THR A 16 -0.678 5.143 -8.500 1.00 0.00 C ATOM 198 O THR A 16 -0.777 5.594 -7.359 1.00 0.00 O ATOM 199 CB THR A 16 -3.093 5.338 -9.096 1.00 0.00 C ATOM 200 OG1 THR A 16 -4.186 4.727 -9.791 1.00 0.00 O ATOM 201 CG2 THR A 16 -2.799 6.702 -9.702 1.00 0.00 C ATOM 0 H THR A 16 -2.125 3.162 -7.514 1.00 0.00 H new ATOM 0 HA THR A 16 -1.611 4.230 -10.206 1.00 0.00 H new ATOM 0 HB THR A 16 -3.360 5.474 -8.048 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.972 5.311 -9.743 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.691 7.326 -9.644 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.987 7.177 -9.152 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.508 6.581 -10.746 1.00 0.00 H new ATOM 209 N ASP A 17 0.432 5.242 -9.224 1.00 0.00 N ATOM 210 CA ASP A 17 1.625 5.902 -8.707 1.00 0.00 C ATOM 211 C ASP A 17 1.301 7.316 -8.234 1.00 0.00 C ATOM 212 O ASP A 17 0.489 8.015 -8.841 1.00 0.00 O ATOM 213 CB ASP A 17 2.714 5.947 -9.780 1.00 0.00 C ATOM 214 CG ASP A 17 2.190 6.435 -11.117 1.00 0.00 C ATOM 215 OD1 ASP A 17 1.486 7.465 -11.137 1.00 0.00 O ATOM 216 OD2 ASP A 17 2.484 5.785 -12.142 1.00 0.00 O ATOM 0 H ASP A 17 0.530 4.874 -10.170 1.00 0.00 H new ATOM 0 HA ASP A 17 1.989 5.327 -7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.520 6.601 -9.448 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.141 4.952 -9.902 1.00 0.00 H new ATOM 221 N PHE A 18 1.940 7.731 -7.145 1.00 0.00 N ATOM 222 CA PHE A 18 1.719 9.060 -6.588 1.00 0.00 C ATOM 223 C PHE A 18 3.020 9.647 -6.047 1.00 0.00 C ATOM 224 O PHE A 18 3.592 9.136 -5.084 1.00 0.00 O ATOM 225 CB PHE A 18 0.671 9.002 -5.475 1.00 0.00 C ATOM 226 CG PHE A 18 0.824 10.089 -4.450 1.00 0.00 C ATOM 227 CD1 PHE A 18 1.645 9.909 -3.348 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.148 11.290 -4.588 1.00 0.00 C ATOM 229 CE1 PHE A 18 1.788 10.908 -2.403 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.287 12.293 -3.646 1.00 0.00 C ATOM 231 CZ PHE A 18 1.109 12.101 -2.553 1.00 0.00 C ATOM 0 H PHE A 18 2.615 7.165 -6.631 1.00 0.00 H new ATOM 0 HA PHE A 18 1.355 9.705 -7.387 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.322 9.069 -5.919 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.733 8.034 -4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.179 8.978 -3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.495 11.445 -5.441 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.430 10.755 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.246 13.225 -3.765 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.221 12.883 -1.816 1.00 0.00 H new ATOM 241 N THR A 19 3.483 10.723 -6.675 1.00 0.00 N ATOM 242 CA THR A 19 4.716 11.379 -6.259 1.00 0.00 C ATOM 243 C THR A 19 4.424 12.611 -5.409 1.00 0.00 C ATOM 244 O THR A 19 4.065 13.674 -5.916 1.00 0.00 O ATOM 245 CB THR A 19 5.567 11.797 -7.474 1.00 0.00 C ATOM 246 OG1 THR A 19 5.813 10.664 -8.313 1.00 0.00 O ATOM 247 CG2 THR A 19 6.889 12.400 -7.026 1.00 0.00 C ATOM 0 H THR A 19 3.022 11.159 -7.474 1.00 0.00 H new ATOM 0 HA THR A 19 5.274 10.656 -5.665 1.00 0.00 H new ATOM 0 HB THR A 19 5.014 12.550 -8.035 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.353 10.939 -9.083 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.473 12.687 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.698 13.280 -6.412 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.445 11.665 -6.444 1.00 0.00 H new ATOM 255 N PRO A 20 4.582 12.467 -4.085 1.00 0.00 N ATOM 256 CA PRO A 20 4.342 13.559 -3.136 1.00 0.00 C ATOM 257 C PRO A 20 5.392 14.660 -3.242 1.00 0.00 C ATOM 258 O PRO A 20 6.416 14.493 -3.905 1.00 0.00 O ATOM 259 CB PRO A 20 4.426 12.869 -1.773 1.00 0.00 C ATOM 260 CG PRO A 20 5.289 11.677 -2.004 1.00 0.00 C ATOM 261 CD PRO A 20 5.008 11.229 -3.412 1.00 0.00 C ATOM 0 HA PRO A 20 3.390 14.056 -3.319 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.857 13.530 -1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.438 12.579 -1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.342 11.927 -1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.061 10.886 -1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.893 10.801 -3.882 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.230 10.466 -3.443 1.00 0.00 H new ATOM 269 N SER A 21 5.131 15.785 -2.583 1.00 0.00 N ATOM 270 CA SER A 21 6.053 16.915 -2.606 1.00 0.00 C ATOM 271 C SER A 21 7.417 16.514 -2.051 1.00 0.00 C ATOM 272 O SER A 21 7.555 15.531 -1.323 1.00 0.00 O ATOM 273 CB SER A 21 5.483 18.081 -1.796 1.00 0.00 C ATOM 274 OG SER A 21 4.574 18.844 -2.571 1.00 0.00 O ATOM 0 H SER A 21 4.290 15.938 -2.027 1.00 0.00 H new ATOM 0 HA SER A 21 6.180 17.229 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.978 17.699 -0.909 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.296 18.719 -1.450 1.00 0.00 H new ATOM 0 HG SER A 21 4.222 19.582 -2.030 1.00 0.00 H new ATOM 280 N PRO A 22 8.449 17.294 -2.404 1.00 0.00 N ATOM 281 CA PRO A 22 9.821 17.042 -1.953 1.00 0.00 C ATOM 282 C PRO A 22 10.000 17.311 -0.462 1.00 0.00 C ATOM 283 O PRO A 22 10.981 16.878 0.143 1.00 0.00 O ATOM 284 CB PRO A 22 10.653 18.028 -2.777 1.00 0.00 C ATOM 285 CG PRO A 22 9.707 19.128 -3.118 1.00 0.00 C ATOM 286 CD PRO A 22 8.358 18.482 -3.269 1.00 0.00 C ATOM 0 HA PRO A 22 10.110 16.000 -2.091 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.505 18.400 -2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.052 17.556 -3.675 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.691 19.886 -2.335 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.006 19.628 -4.039 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.556 19.149 -2.953 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.157 18.210 -4.305 1.00 0.00 H new ATOM 294 N TYR A 23 9.047 18.027 0.124 1.00 0.00 N ATOM 295 CA TYR A 23 9.101 18.354 1.543 1.00 0.00 C ATOM 296 C TYR A 23 8.273 17.368 2.362 1.00 0.00 C ATOM 297 O TYR A 23 8.559 17.123 3.534 1.00 0.00 O ATOM 298 CB TYR A 23 8.596 19.779 1.779 1.00 0.00 C ATOM 299 CG TYR A 23 9.681 20.829 1.683 1.00 0.00 C ATOM 300 CD1 TYR A 23 10.118 21.294 0.448 1.00 0.00 C ATOM 301 CD2 TYR A 23 10.267 21.356 2.827 1.00 0.00 C ATOM 302 CE1 TYR A 23 11.108 22.252 0.356 1.00 0.00 C ATOM 303 CE2 TYR A 23 11.257 22.316 2.744 1.00 0.00 C ATOM 304 CZ TYR A 23 11.675 22.760 1.507 1.00 0.00 C ATOM 305 OH TYR A 23 12.661 23.716 1.419 1.00 0.00 O ATOM 0 H TYR A 23 8.228 18.392 -0.362 1.00 0.00 H new ATOM 0 HA TYR A 23 10.140 18.285 1.866 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.818 20.005 1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.135 19.834 2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.676 20.899 -0.455 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.943 21.009 3.797 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.437 22.602 -0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.701 22.717 3.643 1.00 0.00 H new ATOM 0 HH TYR A 23 12.953 23.969 2.320 1.00 0.00 H new ATOM 315 N ASP A 24 7.246 16.806 1.735 1.00 0.00 N ATOM 316 CA ASP A 24 6.376 15.844 2.403 1.00 0.00 C ATOM 317 C ASP A 24 6.949 14.434 2.306 1.00 0.00 C ATOM 318 O ASP A 24 6.238 13.448 2.502 1.00 0.00 O ATOM 319 CB ASP A 24 4.974 15.882 1.792 1.00 0.00 C ATOM 320 CG ASP A 24 4.108 16.970 2.397 1.00 0.00 C ATOM 321 OD1 ASP A 24 3.942 16.976 3.634 1.00 0.00 O ATOM 322 OD2 ASP A 24 3.596 17.815 1.632 1.00 0.00 O ATOM 0 H ASP A 24 6.995 16.999 0.765 1.00 0.00 H new ATOM 0 HA ASP A 24 6.312 16.119 3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.054 16.041 0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.492 14.915 1.936 1.00 0.00 H new ATOM 327 N THR A 25 8.239 14.344 1.999 1.00 0.00 N ATOM 328 CA THR A 25 8.907 13.055 1.873 1.00 0.00 C ATOM 329 C THR A 25 8.313 12.032 2.834 1.00 0.00 C ATOM 330 O THR A 25 8.205 10.850 2.508 1.00 0.00 O ATOM 331 CB THR A 25 10.419 13.178 2.142 1.00 0.00 C ATOM 332 OG1 THR A 25 10.877 14.486 1.782 1.00 0.00 O ATOM 333 CG2 THR A 25 11.195 12.130 1.357 1.00 0.00 C ATOM 0 H THR A 25 8.842 15.149 1.833 1.00 0.00 H new ATOM 0 HA THR A 25 8.754 12.718 0.848 1.00 0.00 H new ATOM 0 HB THR A 25 10.590 13.014 3.206 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.839 14.556 1.958 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.260 12.236 1.563 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.865 11.135 1.655 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.016 12.268 0.291 1.00 0.00 H new ATOM 341 N ASP A 26 7.929 12.493 4.019 1.00 0.00 N ATOM 342 CA ASP A 26 7.344 11.617 5.028 1.00 0.00 C ATOM 343 C ASP A 26 6.504 10.524 4.376 1.00 0.00 C ATOM 344 O ASP A 26 6.580 9.357 4.759 1.00 0.00 O ATOM 345 CB ASP A 26 6.485 12.427 6.000 1.00 0.00 C ATOM 346 CG ASP A 26 7.150 13.723 6.420 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.390 13.818 6.304 1.00 0.00 O ATOM 348 OD2 ASP A 26 6.430 14.642 6.863 1.00 0.00 O ATOM 0 H ASP A 26 8.012 13.469 4.305 1.00 0.00 H new ATOM 0 HA ASP A 26 8.156 11.145 5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.525 12.649 5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.278 11.825 6.885 1.00 0.00 H new ATOM 353 N SER A 27 5.701 10.910 3.389 1.00 0.00 N ATOM 354 CA SER A 27 4.842 9.964 2.687 1.00 0.00 C ATOM 355 C SER A 27 5.663 9.061 1.772 1.00 0.00 C ATOM 356 O SER A 27 6.419 9.538 0.924 1.00 0.00 O ATOM 357 CB SER A 27 3.785 10.710 1.871 1.00 0.00 C ATOM 358 OG SER A 27 2.646 11.006 2.661 1.00 0.00 O ATOM 0 H SER A 27 5.628 11.872 3.058 1.00 0.00 H new ATOM 0 HA SER A 27 4.344 9.342 3.431 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.209 11.634 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.490 10.106 1.013 1.00 0.00 H new ATOM 0 HG SER A 27 1.986 11.484 2.117 1.00 0.00 H new ATOM 364 N LEU A 28 5.510 7.753 1.948 1.00 0.00 N ATOM 365 CA LEU A 28 6.236 6.781 1.138 1.00 0.00 C ATOM 366 C LEU A 28 5.880 6.927 -0.338 1.00 0.00 C ATOM 367 O LEU A 28 4.707 6.901 -0.710 1.00 0.00 O ATOM 368 CB LEU A 28 5.926 5.360 1.611 1.00 0.00 C ATOM 369 CG LEU A 28 6.232 5.059 3.079 1.00 0.00 C ATOM 370 CD1 LEU A 28 5.544 3.775 3.516 1.00 0.00 C ATOM 371 CD2 LEU A 28 7.735 4.963 3.301 1.00 0.00 C ATOM 0 H LEU A 28 4.889 7.341 2.645 1.00 0.00 H new ATOM 0 HA LEU A 28 7.303 6.972 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.869 5.162 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.490 4.662 0.993 1.00 0.00 H new ATOM 0 HG LEU A 28 5.846 5.878 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.773 3.577 4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.466 3.880 3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.899 2.946 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.935 4.748 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.144 4.164 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.204 5.908 3.028 1.00 0.00 H new ATOM 383 N LYS A 29 6.901 7.079 -1.175 1.00 0.00 N ATOM 384 CA LYS A 29 6.698 7.226 -2.611 1.00 0.00 C ATOM 385 C LYS A 29 6.051 5.976 -3.200 1.00 0.00 C ATOM 386 O LYS A 29 6.672 4.914 -3.263 1.00 0.00 O ATOM 387 CB LYS A 29 8.031 7.500 -3.311 1.00 0.00 C ATOM 388 CG LYS A 29 7.893 7.770 -4.799 1.00 0.00 C ATOM 389 CD LYS A 29 9.138 8.434 -5.363 1.00 0.00 C ATOM 390 CE LYS A 29 9.053 8.584 -6.874 1.00 0.00 C ATOM 391 NZ LYS A 29 9.617 7.401 -7.582 1.00 0.00 N ATOM 0 H LYS A 29 7.878 7.104 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 29 6.029 8.071 -2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.511 8.357 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.691 6.645 -3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.710 6.833 -5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.027 8.409 -4.975 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.268 9.415 -4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.016 7.843 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.012 8.720 -7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.591 9.481 -7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.650 7.591 -8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.579 7.214 -7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.017 6.571 -7.403 1.00 0.00 H new ATOM 405 N LEU A 30 4.801 6.109 -3.630 1.00 0.00 N ATOM 406 CA LEU A 30 4.070 4.990 -4.215 1.00 0.00 C ATOM 407 C LEU A 30 4.282 4.931 -5.724 1.00 0.00 C ATOM 408 O LEU A 30 4.263 5.956 -6.406 1.00 0.00 O ATOM 409 CB LEU A 30 2.578 5.111 -3.903 1.00 0.00 C ATOM 410 CG LEU A 30 2.221 5.466 -2.459 1.00 0.00 C ATOM 411 CD1 LEU A 30 0.733 5.755 -2.333 1.00 0.00 C ATOM 412 CD2 LEU A 30 2.630 4.343 -1.517 1.00 0.00 C ATOM 0 H LEU A 30 4.273 6.980 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 30 4.453 4.069 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.150 5.869 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.097 4.165 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 30 2.770 6.365 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.497 6.006 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.469 6.593 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.165 4.874 -2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.368 4.613 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.109 3.427 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.706 4.184 -1.586 1.00 0.00 H new ATOM 424 N LYS A 31 4.483 3.723 -6.241 1.00 0.00 N ATOM 425 CA LYS A 31 4.695 3.528 -7.671 1.00 0.00 C ATOM 426 C LYS A 31 3.876 2.349 -8.186 1.00 0.00 C ATOM 427 O LYS A 31 3.567 1.420 -7.440 1.00 0.00 O ATOM 428 CB LYS A 31 6.180 3.296 -7.960 1.00 0.00 C ATOM 429 CG LYS A 31 6.949 4.572 -8.255 1.00 0.00 C ATOM 430 CD LYS A 31 6.865 4.947 -9.725 1.00 0.00 C ATOM 431 CE LYS A 31 7.912 5.985 -10.097 1.00 0.00 C ATOM 432 NZ LYS A 31 9.294 5.441 -9.991 1.00 0.00 N ATOM 0 H LYS A 31 4.504 2.864 -5.691 1.00 0.00 H new ATOM 0 HA LYS A 31 4.367 4.430 -8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.635 2.798 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.275 2.620 -8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.552 5.386 -7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.993 4.442 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.002 4.056 -10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.871 5.336 -9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.735 6.331 -11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.812 6.852 -9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.962 6.099 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.545 5.324 -8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.342 4.519 -10.469 1.00 0.00 H new ATOM 446 N LYS A 32 3.527 2.393 -9.468 1.00 0.00 N ATOM 447 CA LYS A 32 2.746 1.327 -10.085 1.00 0.00 C ATOM 448 C LYS A 32 3.430 -0.024 -9.904 1.00 0.00 C ATOM 449 O LYS A 32 4.481 -0.282 -10.490 1.00 0.00 O ATOM 450 CB LYS A 32 2.544 1.613 -11.575 1.00 0.00 C ATOM 451 CG LYS A 32 1.312 0.944 -12.161 1.00 0.00 C ATOM 452 CD LYS A 32 0.953 1.527 -13.517 1.00 0.00 C ATOM 453 CE LYS A 32 -0.450 1.124 -13.943 1.00 0.00 C ATOM 454 NZ LYS A 32 -0.599 1.116 -15.425 1.00 0.00 N ATOM 0 H LYS A 32 3.773 3.155 -10.100 1.00 0.00 H new ATOM 0 HA LYS A 32 1.774 1.291 -9.593 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.467 2.690 -11.723 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.425 1.278 -12.123 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.491 -0.127 -12.260 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.471 1.065 -11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.024 2.614 -13.477 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.672 1.187 -14.262 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.678 0.133 -13.550 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.174 1.814 -13.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.569 0.836 -15.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.406 2.067 -15.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.074 0.439 -15.838 1.00 0.00 H new ATOM 468 N GLY A 33 2.826 -0.884 -9.090 1.00 0.00 N ATOM 469 CA GLY A 33 3.391 -2.199 -8.848 1.00 0.00 C ATOM 470 C GLY A 33 4.406 -2.195 -7.722 1.00 0.00 C ATOM 471 O GLY A 33 5.497 -2.749 -7.859 1.00 0.00 O ATOM 0 H GLY A 33 1.955 -0.694 -8.594 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.589 -2.897 -8.608 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.866 -2.561 -9.760 1.00 0.00 H new ATOM 475 N ASP A 34 4.047 -1.569 -6.606 1.00 0.00 N ATOM 476 CA ASP A 34 4.935 -1.495 -5.452 1.00 0.00 C ATOM 477 C ASP A 34 4.258 -2.063 -4.208 1.00 0.00 C ATOM 478 O ASP A 34 3.200 -1.587 -3.794 1.00 0.00 O ATOM 479 CB ASP A 34 5.361 -0.048 -5.201 1.00 0.00 C ATOM 480 CG ASP A 34 6.491 0.390 -6.111 1.00 0.00 C ATOM 481 OD1 ASP A 34 6.344 0.256 -7.344 1.00 0.00 O ATOM 482 OD2 ASP A 34 7.522 0.865 -5.592 1.00 0.00 O ATOM 0 H ASP A 34 3.148 -1.106 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 34 5.820 -2.093 -5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.505 0.610 -5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.672 0.061 -4.162 1.00 0.00 H new ATOM 487 N ILE A 35 4.873 -3.082 -3.618 1.00 0.00 N ATOM 488 CA ILE A 35 4.329 -3.713 -2.422 1.00 0.00 C ATOM 489 C ILE A 35 4.785 -2.987 -1.161 1.00 0.00 C ATOM 490 O ILE A 35 5.939 -2.568 -1.057 1.00 0.00 O ATOM 491 CB ILE A 35 4.746 -5.193 -2.328 1.00 0.00 C ATOM 492 CG1 ILE A 35 4.277 -5.957 -3.568 1.00 0.00 C ATOM 493 CG2 ILE A 35 4.178 -5.823 -1.065 1.00 0.00 C ATOM 494 CD1 ILE A 35 2.774 -5.964 -3.742 1.00 0.00 C ATOM 0 H ILE A 35 5.748 -3.488 -3.949 1.00 0.00 H new ATOM 0 HA ILE A 35 3.243 -3.653 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 35 5.834 -5.247 -2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.735 -5.514 -4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.632 -6.986 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.481 -6.869 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.556 -5.291 -0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.090 -5.761 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.514 -6.523 -4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.310 -6.434 -2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.414 -4.940 -3.836 1.00 0.00 H new ATOM 506 N ILE A 36 3.874 -2.844 -0.205 1.00 0.00 N ATOM 507 CA ILE A 36 4.184 -2.171 1.050 1.00 0.00 C ATOM 508 C ILE A 36 3.743 -3.009 2.246 1.00 0.00 C ATOM 509 O ILE A 36 2.584 -3.412 2.341 1.00 0.00 O ATOM 510 CB ILE A 36 3.509 -0.789 1.130 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.935 0.079 -0.056 1.00 0.00 C ATOM 512 CG2 ILE A 36 3.855 -0.106 2.444 1.00 0.00 C ATOM 513 CD1 ILE A 36 2.911 1.127 -0.436 1.00 0.00 C ATOM 0 H ILE A 36 2.915 -3.185 -0.275 1.00 0.00 H new ATOM 0 HA ILE A 36 5.266 -2.040 1.079 1.00 0.00 H new ATOM 0 HB ILE A 36 2.428 -0.925 1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.876 0.573 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.123 -0.563 -0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.371 0.870 2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.508 -0.719 3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.935 0.022 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.279 1.705 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.975 0.639 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.740 1.792 0.410 1.00 0.00 H new ATOM 525 N ASP A 37 4.675 -3.265 3.157 1.00 0.00 N ATOM 526 CA ASP A 37 4.383 -4.053 4.349 1.00 0.00 C ATOM 527 C ASP A 37 3.751 -3.185 5.432 1.00 0.00 C ATOM 528 O ASP A 37 4.438 -2.416 6.105 1.00 0.00 O ATOM 529 CB ASP A 37 5.660 -4.704 4.881 1.00 0.00 C ATOM 530 CG ASP A 37 6.059 -5.932 4.086 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.170 -6.750 3.773 1.00 0.00 O ATOM 532 OD2 ASP A 37 7.261 -6.074 3.777 1.00 0.00 O ATOM 0 H ASP A 37 5.639 -2.938 3.093 1.00 0.00 H new ATOM 0 HA ASP A 37 3.674 -4.834 4.074 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.473 -3.978 4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.515 -4.982 5.925 1.00 0.00 H new ATOM 537 N ILE A 38 2.438 -3.312 5.594 1.00 0.00 N ATOM 538 CA ILE A 38 1.713 -2.539 6.595 1.00 0.00 C ATOM 539 C ILE A 38 2.131 -2.938 8.006 1.00 0.00 C ATOM 540 O ILE A 38 1.983 -4.094 8.404 1.00 0.00 O ATOM 541 CB ILE A 38 0.191 -2.720 6.452 1.00 0.00 C ATOM 542 CG1 ILE A 38 -0.269 -2.280 5.060 1.00 0.00 C ATOM 543 CG2 ILE A 38 -0.540 -1.933 7.530 1.00 0.00 C ATOM 544 CD1 ILE A 38 -1.750 -2.473 4.824 1.00 0.00 C ATOM 0 H ILE A 38 1.855 -3.943 5.045 1.00 0.00 H new ATOM 0 HA ILE A 38 1.963 -1.491 6.427 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.047 -3.776 6.576 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.021 -1.228 4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.287 -2.841 4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.615 -2.071 7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.231 -2.289 8.513 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.298 -0.874 7.435 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.005 -2.140 3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.001 -3.528 4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.314 -1.890 5.552 1.00 0.00 H new ATOM 556 N ILE A 39 2.652 -1.974 8.758 1.00 0.00 N ATOM 557 CA ILE A 39 3.088 -2.225 10.126 1.00 0.00 C ATOM 558 C ILE A 39 1.993 -1.870 11.126 1.00 0.00 C ATOM 559 O ILE A 39 1.623 -2.685 11.971 1.00 0.00 O ATOM 560 CB ILE A 39 4.358 -1.423 10.467 1.00 0.00 C ATOM 561 CG1 ILE A 39 5.510 -1.834 9.547 1.00 0.00 C ATOM 562 CG2 ILE A 39 4.739 -1.630 11.925 1.00 0.00 C ATOM 563 CD1 ILE A 39 6.703 -0.908 9.623 1.00 0.00 C ATOM 0 H ILE A 39 2.782 -1.013 8.443 1.00 0.00 H new ATOM 0 HA ILE A 39 3.310 -3.290 10.197 1.00 0.00 H new ATOM 0 HB ILE A 39 4.154 -0.364 10.311 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.827 -2.844 9.805 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.150 -1.866 8.519 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.638 -1.057 12.151 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.924 -1.293 12.565 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.928 -2.688 12.105 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.481 -1.260 8.945 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.401 0.099 9.336 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.089 -0.895 10.642 1.00 0.00 H new ATOM 575 N SER A 40 1.477 -0.650 11.022 1.00 0.00 N ATOM 576 CA SER A 40 0.424 -0.187 11.918 1.00 0.00 C ATOM 577 C SER A 40 -0.702 0.481 11.135 1.00 0.00 C ATOM 578 O SER A 40 -0.457 1.224 10.184 1.00 0.00 O ATOM 579 CB SER A 40 0.995 0.792 12.947 1.00 0.00 C ATOM 580 OG SER A 40 0.141 0.905 14.072 1.00 0.00 O ATOM 0 H SER A 40 1.771 0.036 10.326 1.00 0.00 H new ATOM 0 HA SER A 40 0.017 -1.054 12.438 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.981 0.454 13.267 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.128 1.771 12.487 1.00 0.00 H new ATOM 0 HG SER A 40 0.529 1.535 14.715 1.00 0.00 H new ATOM 586 N LYS A 41 -1.938 0.212 11.542 1.00 0.00 N ATOM 587 CA LYS A 41 -3.104 0.786 10.880 1.00 0.00 C ATOM 588 C LYS A 41 -4.085 1.351 11.902 1.00 0.00 C ATOM 589 O LYS A 41 -4.842 0.619 12.542 1.00 0.00 O ATOM 590 CB LYS A 41 -3.799 -0.271 10.019 1.00 0.00 C ATOM 591 CG LYS A 41 -3.207 -0.406 8.627 1.00 0.00 C ATOM 592 CD LYS A 41 -3.874 -1.525 7.844 1.00 0.00 C ATOM 593 CE LYS A 41 -5.100 -1.027 7.094 1.00 0.00 C ATOM 594 NZ LYS A 41 -6.117 -2.101 6.918 1.00 0.00 N ATOM 0 H LYS A 41 -2.158 -0.400 12.328 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.764 1.600 10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.741 -1.235 10.525 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.856 -0.020 9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.322 0.535 8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.137 -0.601 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.162 -1.950 7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.163 -2.325 8.525 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.544 -0.192 7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.799 -0.648 6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.898 -1.746 6.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.679 -2.921 6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.485 -2.386 7.848 1.00 0.00 H new ATOM 608 N PRO A 42 -4.076 2.682 12.060 1.00 0.00 N ATOM 609 CA PRO A 42 -4.961 3.374 13.002 1.00 0.00 C ATOM 610 C PRO A 42 -6.419 3.339 12.559 1.00 0.00 C ATOM 611 O PRO A 42 -6.739 2.997 11.420 1.00 0.00 O ATOM 612 CB PRO A 42 -4.434 4.811 12.994 1.00 0.00 C ATOM 613 CG PRO A 42 -3.773 4.965 11.667 1.00 0.00 C ATOM 614 CD PRO A 42 -3.200 3.616 11.332 1.00 0.00 C ATOM 0 HA PRO A 42 -4.952 2.908 13.987 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.243 5.530 13.119 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.730 4.979 13.809 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.488 5.284 10.909 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.990 5.723 11.706 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.216 3.428 10.258 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.163 3.529 11.655 1.00 0.00 H new ATOM 622 N PRO A 43 -7.327 3.701 13.478 1.00 0.00 N ATOM 623 CA PRO A 43 -8.767 3.720 13.204 1.00 0.00 C ATOM 624 C PRO A 43 -9.158 4.833 12.237 1.00 0.00 C ATOM 625 O PRO A 43 -9.955 4.621 11.323 1.00 0.00 O ATOM 626 CB PRO A 43 -9.387 3.967 14.581 1.00 0.00 C ATOM 627 CG PRO A 43 -8.325 4.670 15.355 1.00 0.00 C ATOM 628 CD PRO A 43 -7.017 4.121 14.855 1.00 0.00 C ATOM 0 HA PRO A 43 -9.104 2.799 12.729 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.289 4.574 14.506 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.672 3.031 15.060 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.380 5.748 15.203 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.439 4.493 16.424 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.230 4.875 14.878 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.674 3.284 15.463 1.00 0.00 H new ATOM 636 N MET A 44 -8.592 6.017 12.444 1.00 0.00 N ATOM 637 CA MET A 44 -8.881 7.162 11.588 1.00 0.00 C ATOM 638 C MET A 44 -7.599 7.900 11.216 1.00 0.00 C ATOM 639 O MET A 44 -7.004 8.587 12.045 1.00 0.00 O ATOM 640 CB MET A 44 -9.849 8.118 12.289 1.00 0.00 C ATOM 641 CG MET A 44 -10.623 9.009 11.331 1.00 0.00 C ATOM 642 SD MET A 44 -12.065 8.185 10.628 1.00 0.00 S ATOM 643 CE MET A 44 -13.059 7.931 12.096 1.00 0.00 C ATOM 0 H MET A 44 -7.931 6.209 13.197 1.00 0.00 H new ATOM 0 HA MET A 44 -9.345 6.793 10.673 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.555 7.537 12.882 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.289 8.745 12.983 1.00 0.00 H new ATOM 0 HG2 MET A 44 -10.944 9.909 11.856 1.00 0.00 H new ATOM 0 HG3 MET A 44 -9.963 9.329 10.525 1.00 0.00 H new ATOM 0 HE1 MET A 44 -14.115 7.928 11.825 1.00 0.00 H new ATOM 0 HE2 MET A 44 -12.799 6.975 12.551 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.870 8.735 12.807 1.00 0.00 H new ATOM 653 N GLY A 45 -7.179 7.753 9.963 1.00 0.00 N ATOM 654 CA GLY A 45 -5.970 8.411 9.504 1.00 0.00 C ATOM 655 C GLY A 45 -5.180 7.559 8.530 1.00 0.00 C ATOM 656 O GLY A 45 -5.552 6.420 8.245 1.00 0.00 O ATOM 0 H GLY A 45 -7.655 7.190 9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.233 9.355 9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.343 8.652 10.362 1.00 0.00 H new ATOM 660 N THR A 46 -4.085 8.111 8.017 1.00 0.00 N ATOM 661 CA THR A 46 -3.241 7.396 7.067 1.00 0.00 C ATOM 662 C THR A 46 -2.684 6.117 7.682 1.00 0.00 C ATOM 663 O THR A 46 -2.615 5.984 8.904 1.00 0.00 O ATOM 664 CB THR A 46 -2.071 8.273 6.584 1.00 0.00 C ATOM 665 OG1 THR A 46 -2.553 9.564 6.198 1.00 0.00 O ATOM 666 CG2 THR A 46 -1.355 7.621 5.411 1.00 0.00 C ATOM 0 H THR A 46 -3.762 9.051 8.243 1.00 0.00 H new ATOM 0 HA THR A 46 -3.870 7.142 6.214 1.00 0.00 H new ATOM 0 HB THR A 46 -1.364 8.382 7.406 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.802 10.116 5.894 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.532 8.259 5.087 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.963 6.651 5.717 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.055 7.486 4.587 1.00 0.00 H new ATOM 674 N TRP A 47 -2.287 5.181 6.828 1.00 0.00 N ATOM 675 CA TRP A 47 -1.734 3.912 7.289 1.00 0.00 C ATOM 676 C TRP A 47 -0.212 3.971 7.348 1.00 0.00 C ATOM 677 O TRP A 47 0.403 4.901 6.828 1.00 0.00 O ATOM 678 CB TRP A 47 -2.177 2.775 6.367 1.00 0.00 C ATOM 679 CG TRP A 47 -3.625 2.418 6.517 1.00 0.00 C ATOM 680 CD1 TRP A 47 -4.424 2.673 7.595 1.00 0.00 C ATOM 681 CD2 TRP A 47 -4.445 1.741 5.558 1.00 0.00 C ATOM 682 NE1 TRP A 47 -5.692 2.194 7.364 1.00 0.00 N ATOM 683 CE2 TRP A 47 -5.731 1.619 6.122 1.00 0.00 C ATOM 684 CE3 TRP A 47 -4.219 1.228 4.279 1.00 0.00 C ATOM 685 CZ2 TRP A 47 -6.783 1.004 5.448 1.00 0.00 C ATOM 686 CZ3 TRP A 47 -5.264 0.617 3.612 1.00 0.00 C ATOM 687 CH2 TRP A 47 -6.533 0.510 4.197 1.00 0.00 C ATOM 0 H TRP A 47 -2.337 5.276 5.814 1.00 0.00 H new ATOM 0 HA TRP A 47 -2.111 3.723 8.294 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.986 3.060 5.333 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.570 1.893 6.572 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -4.107 3.177 8.496 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.477 2.257 8.013 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.245 1.307 3.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.762 0.920 5.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.100 0.215 2.623 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -7.329 0.028 3.649 1.00 0.00 H new ATOM 698 N MET A 48 0.390 2.972 7.985 1.00 0.00 N ATOM 699 CA MET A 48 1.842 2.911 8.110 1.00 0.00 C ATOM 700 C MET A 48 2.382 1.600 7.545 1.00 0.00 C ATOM 701 O MET A 48 1.722 0.564 7.616 1.00 0.00 O ATOM 702 CB MET A 48 2.255 3.056 9.576 1.00 0.00 C ATOM 703 CG MET A 48 3.641 3.653 9.760 1.00 0.00 C ATOM 704 SD MET A 48 3.616 5.454 9.843 1.00 0.00 S ATOM 705 CE MET A 48 4.588 5.738 11.321 1.00 0.00 C ATOM 0 H MET A 48 -0.104 2.194 8.422 1.00 0.00 H new ATOM 0 HA MET A 48 2.266 3.735 7.537 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.527 3.683 10.090 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.224 2.076 10.052 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.084 3.257 10.674 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.280 3.340 8.934 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.664 6.809 11.506 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.106 5.256 12.172 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.586 5.322 11.186 1.00 0.00 H new ATOM 715 N GLY A 49 3.586 1.654 6.984 1.00 0.00 N ATOM 716 CA GLY A 49 4.193 0.465 6.415 1.00 0.00 C ATOM 717 C GLY A 49 5.643 0.682 6.029 1.00 0.00 C ATOM 718 O GLY A 49 6.078 1.818 5.835 1.00 0.00 O ATOM 0 H GLY A 49 4.152 2.500 6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.130 -0.351 7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.628 0.158 5.535 1.00 0.00 H new ATOM 722 N LEU A 50 6.393 -0.408 5.920 1.00 0.00 N ATOM 723 CA LEU A 50 7.804 -0.332 5.556 1.00 0.00 C ATOM 724 C LEU A 50 8.003 -0.647 4.077 1.00 0.00 C ATOM 725 O LEU A 50 7.774 -1.773 3.634 1.00 0.00 O ATOM 726 CB LEU A 50 8.624 -1.302 6.410 1.00 0.00 C ATOM 727 CG LEU A 50 10.124 -1.349 6.119 1.00 0.00 C ATOM 728 CD1 LEU A 50 10.823 -0.138 6.717 1.00 0.00 C ATOM 729 CD2 LEU A 50 10.732 -2.636 6.656 1.00 0.00 C ATOM 0 H LEU A 50 6.049 -1.355 6.078 1.00 0.00 H new ATOM 0 HA LEU A 50 8.147 0.686 5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.486 -1.038 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.217 -2.304 6.278 1.00 0.00 H new ATOM 0 HG LEU A 50 10.265 -1.327 5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.890 -0.189 6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.408 0.772 6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.673 -0.128 7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.800 -2.652 6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.579 -2.688 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.253 -3.491 6.180 1.00 0.00 H new ATOM 741 N LEU A 51 8.433 0.355 3.317 1.00 0.00 N ATOM 742 CA LEU A 51 8.665 0.185 1.887 1.00 0.00 C ATOM 743 C LEU A 51 10.057 0.676 1.500 1.00 0.00 C ATOM 744 O LEU A 51 10.476 1.762 1.899 1.00 0.00 O ATOM 745 CB LEU A 51 7.604 0.940 1.085 1.00 0.00 C ATOM 746 CG LEU A 51 7.895 1.126 -0.405 1.00 0.00 C ATOM 747 CD1 LEU A 51 7.724 -0.189 -1.150 1.00 0.00 C ATOM 748 CD2 LEU A 51 6.991 2.198 -0.995 1.00 0.00 C ATOM 0 H LEU A 51 8.628 1.293 3.667 1.00 0.00 H new ATOM 0 HA LEU A 51 8.597 -0.878 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.656 0.411 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.470 1.924 1.534 1.00 0.00 H new ATOM 0 HG LEU A 51 8.930 1.451 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.935 -0.038 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.414 -0.929 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.700 -0.544 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.212 2.317 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.949 1.903 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.164 3.143 -0.480 1.00 0.00 H new ATOM 760 N ASN A 52 10.766 -0.130 0.717 1.00 0.00 N ATOM 761 CA ASN A 52 12.110 0.223 0.274 1.00 0.00 C ATOM 762 C ASN A 52 12.993 0.598 1.461 1.00 0.00 C ATOM 763 O ASN A 52 13.682 1.617 1.437 1.00 0.00 O ATOM 764 CB ASN A 52 12.053 1.385 -0.720 1.00 0.00 C ATOM 765 CG ASN A 52 11.922 0.912 -2.155 1.00 0.00 C ATOM 766 OD1 ASN A 52 11.877 -0.289 -2.423 1.00 0.00 O ATOM 767 ND2 ASN A 52 11.859 1.856 -3.086 1.00 0.00 N ATOM 0 H ASN A 52 10.433 -1.032 0.376 1.00 0.00 H new ATOM 0 HA ASN A 52 12.544 -0.647 -0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.209 2.029 -0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.955 1.989 -0.620 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.770 1.598 -4.069 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.900 2.839 -2.819 1.00 0.00 H new ATOM 774 N ASN A 53 12.968 -0.235 2.496 1.00 0.00 N ATOM 775 CA ASN A 53 13.766 0.009 3.692 1.00 0.00 C ATOM 776 C ASN A 53 13.469 1.388 4.273 1.00 0.00 C ATOM 777 O ASN A 53 14.360 2.060 4.793 1.00 0.00 O ATOM 778 CB ASN A 53 15.257 -0.111 3.369 1.00 0.00 C ATOM 779 CG ASN A 53 15.718 -1.554 3.291 1.00 0.00 C ATOM 780 OD1 ASN A 53 15.203 -2.339 2.495 1.00 0.00 O ATOM 781 ND2 ASN A 53 16.692 -1.909 4.121 1.00 0.00 N ATOM 0 H ASN A 53 12.404 -1.084 2.531 1.00 0.00 H new ATOM 0 HA ASN A 53 13.500 -0.743 4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.461 0.385 2.420 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.834 0.411 4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 53 17.043 -2.867 4.115 1.00 0.00 H new ATOM 0 HD22 ASN A 53 17.089 -1.224 4.764 1.00 0.00 H new ATOM 788 N LYS A 54 12.211 1.804 4.182 1.00 0.00 N ATOM 789 CA LYS A 54 11.794 3.102 4.699 1.00 0.00 C ATOM 790 C LYS A 54 10.315 3.089 5.073 1.00 0.00 C ATOM 791 O LYS A 54 9.450 2.899 4.218 1.00 0.00 O ATOM 792 CB LYS A 54 12.059 4.196 3.663 1.00 0.00 C ATOM 793 CG LYS A 54 11.875 5.604 4.203 1.00 0.00 C ATOM 794 CD LYS A 54 11.606 6.599 3.087 1.00 0.00 C ATOM 795 CE LYS A 54 11.821 8.031 3.553 1.00 0.00 C ATOM 796 NZ LYS A 54 13.265 8.390 3.594 1.00 0.00 N ATOM 0 H LYS A 54 11.461 1.260 3.754 1.00 0.00 H new ATOM 0 HA LYS A 54 12.376 3.311 5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.077 4.090 3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.390 4.051 2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.046 5.618 4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.768 5.904 4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.263 6.387 2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.582 6.481 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.296 8.713 2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.387 8.159 4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.423 9.110 4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.827 7.543 3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.555 8.768 2.670 1.00 0.00 H new ATOM 810 N VAL A 55 10.032 3.294 6.356 1.00 0.00 N ATOM 811 CA VAL A 55 8.658 3.308 6.842 1.00 0.00 C ATOM 812 C VAL A 55 8.115 4.731 6.913 1.00 0.00 C ATOM 813 O VAL A 55 8.698 5.598 7.563 1.00 0.00 O ATOM 814 CB VAL A 55 8.548 2.659 8.234 1.00 0.00 C ATOM 815 CG1 VAL A 55 9.618 3.208 9.166 1.00 0.00 C ATOM 816 CG2 VAL A 55 7.160 2.878 8.816 1.00 0.00 C ATOM 0 H VAL A 55 10.736 3.453 7.077 1.00 0.00 H new ATOM 0 HA VAL A 55 8.066 2.731 6.132 1.00 0.00 H new ATOM 0 HB VAL A 55 8.708 1.586 8.128 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.524 2.738 10.145 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.604 2.994 8.754 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.493 4.286 9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.100 2.413 9.800 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.969 3.947 8.908 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.415 2.431 8.158 1.00 0.00 H new ATOM 826 N GLY A 56 6.993 4.965 6.239 1.00 0.00 N ATOM 827 CA GLY A 56 6.389 6.285 6.239 1.00 0.00 C ATOM 828 C GLY A 56 4.876 6.231 6.319 1.00 0.00 C ATOM 829 O GLY A 56 4.315 5.496 7.134 1.00 0.00 O ATOM 0 H GLY A 56 6.492 4.264 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.774 6.857 7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.683 6.816 5.333 1.00 0.00 H new ATOM 833 N THR A 57 4.212 7.011 5.473 1.00 0.00 N ATOM 834 CA THR A 57 2.755 7.052 5.453 1.00 0.00 C ATOM 835 C THR A 57 2.226 7.103 4.025 1.00 0.00 C ATOM 836 O THR A 57 2.788 7.786 3.168 1.00 0.00 O ATOM 837 CB THR A 57 2.216 8.266 6.233 1.00 0.00 C ATOM 838 OG1 THR A 57 2.688 9.479 5.637 1.00 0.00 O ATOM 839 CG2 THR A 57 2.648 8.208 7.690 1.00 0.00 C ATOM 0 H THR A 57 4.660 7.624 4.792 1.00 0.00 H new ATOM 0 HA THR A 57 2.407 6.138 5.934 1.00 0.00 H new ATOM 0 HB THR A 57 1.127 8.242 6.193 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.340 10.246 6.137 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.256 9.075 8.221 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.262 7.297 8.148 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.737 8.210 7.747 1.00 0.00 H new ATOM 847 N PHE A 58 1.141 6.378 3.774 1.00 0.00 N ATOM 848 CA PHE A 58 0.535 6.341 2.448 1.00 0.00 C ATOM 849 C PHE A 58 -0.981 6.205 2.546 1.00 0.00 C ATOM 850 O PHE A 58 -1.499 5.503 3.415 1.00 0.00 O ATOM 851 CB PHE A 58 1.111 5.181 1.633 1.00 0.00 C ATOM 852 CG PHE A 58 0.774 3.829 2.194 1.00 0.00 C ATOM 853 CD1 PHE A 58 -0.484 3.281 2.007 1.00 0.00 C ATOM 854 CD2 PHE A 58 1.716 3.106 2.908 1.00 0.00 C ATOM 855 CE1 PHE A 58 -0.797 2.038 2.522 1.00 0.00 C ATOM 856 CE2 PHE A 58 1.410 1.862 3.425 1.00 0.00 C ATOM 857 CZ PHE A 58 0.151 1.327 3.232 1.00 0.00 C ATOM 0 H PHE A 58 0.663 5.808 4.472 1.00 0.00 H new ATOM 0 HA PHE A 58 0.766 7.280 1.944 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.738 5.245 0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.195 5.285 1.583 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.229 3.832 1.452 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.701 3.520 3.062 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.782 1.622 2.370 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.154 1.309 3.979 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.092 0.355 3.635 1.00 0.00 H new ATOM 867 N LYS A 59 -1.689 6.882 1.648 1.00 0.00 N ATOM 868 CA LYS A 59 -3.147 6.838 1.631 1.00 0.00 C ATOM 869 C LYS A 59 -3.645 5.644 0.823 1.00 0.00 C ATOM 870 O LYS A 59 -3.088 5.313 -0.224 1.00 0.00 O ATOM 871 CB LYS A 59 -3.710 8.134 1.045 1.00 0.00 C ATOM 872 CG LYS A 59 -3.389 9.366 1.873 1.00 0.00 C ATOM 873 CD LYS A 59 -2.116 10.044 1.395 1.00 0.00 C ATOM 874 CE LYS A 59 -2.409 11.102 0.343 1.00 0.00 C ATOM 875 NZ LYS A 59 -2.853 12.385 0.956 1.00 0.00 N ATOM 0 H LYS A 59 -1.277 7.468 0.922 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.495 6.730 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.314 8.270 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.792 8.041 0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.220 10.069 1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.280 9.083 2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.607 10.503 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.438 9.297 0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.515 11.276 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.181 10.737 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.043 13.080 0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.720 12.225 1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.106 12.747 1.583 1.00 0.00 H new ATOM 889 N PHE A 60 -4.699 5.000 1.316 1.00 0.00 N ATOM 890 CA PHE A 60 -5.272 3.843 0.639 1.00 0.00 C ATOM 891 C PHE A 60 -5.836 4.234 -0.724 1.00 0.00 C ATOM 892 O PHE A 60 -6.150 3.374 -1.548 1.00 0.00 O ATOM 893 CB PHE A 60 -6.373 3.217 1.498 1.00 0.00 C ATOM 894 CG PHE A 60 -7.439 4.192 1.911 1.00 0.00 C ATOM 895 CD1 PHE A 60 -7.294 4.952 3.060 1.00 0.00 C ATOM 896 CD2 PHE A 60 -8.585 4.350 1.148 1.00 0.00 C ATOM 897 CE1 PHE A 60 -8.273 5.849 3.442 1.00 0.00 C ATOM 898 CE2 PHE A 60 -9.568 5.245 1.525 1.00 0.00 C ATOM 899 CZ PHE A 60 -9.411 5.997 2.673 1.00 0.00 C ATOM 0 H PHE A 60 -5.173 5.260 2.181 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.478 3.112 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.834 2.400 0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.923 2.783 2.391 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.406 4.842 3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.711 3.767 0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.149 6.434 4.341 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.458 5.356 0.923 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.176 6.699 2.969 1.00 0.00 H new ATOM 909 N ILE A 61 -5.962 5.537 -0.954 1.00 0.00 N ATOM 910 CA ILE A 61 -6.487 6.042 -2.216 1.00 0.00 C ATOM 911 C ILE A 61 -5.514 5.779 -3.361 1.00 0.00 C ATOM 912 O ILE A 61 -5.869 5.907 -4.533 1.00 0.00 O ATOM 913 CB ILE A 61 -6.778 7.552 -2.141 1.00 0.00 C ATOM 914 CG1 ILE A 61 -5.477 8.335 -1.952 1.00 0.00 C ATOM 915 CG2 ILE A 61 -7.749 7.849 -1.008 1.00 0.00 C ATOM 916 CD1 ILE A 61 -5.668 9.836 -1.958 1.00 0.00 C ATOM 0 H ILE A 61 -5.708 6.262 -0.283 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.419 5.510 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.237 7.865 -3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.018 8.039 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.780 8.062 -2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.945 8.921 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.684 7.316 -1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.315 7.524 -0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.704 10.326 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.098 10.144 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.340 10.121 -1.148 1.00 0.00 H new ATOM 928 N TYR A 62 -4.287 5.409 -3.013 1.00 0.00 N ATOM 929 CA TYR A 62 -3.262 5.128 -4.011 1.00 0.00 C ATOM 930 C TYR A 62 -2.809 3.674 -3.933 1.00 0.00 C ATOM 931 O TYR A 62 -1.940 3.240 -4.689 1.00 0.00 O ATOM 932 CB TYR A 62 -2.063 6.058 -3.817 1.00 0.00 C ATOM 933 CG TYR A 62 -2.416 7.526 -3.899 1.00 0.00 C ATOM 934 CD1 TYR A 62 -2.996 8.059 -5.044 1.00 0.00 C ATOM 935 CD2 TYR A 62 -2.170 8.380 -2.831 1.00 0.00 C ATOM 936 CE1 TYR A 62 -3.319 9.400 -5.123 1.00 0.00 C ATOM 937 CE2 TYR A 62 -2.492 9.722 -2.900 1.00 0.00 C ATOM 938 CZ TYR A 62 -3.065 10.227 -4.049 1.00 0.00 C ATOM 939 OH TYR A 62 -3.387 11.563 -4.123 1.00 0.00 O ATOM 0 H TYR A 62 -3.978 5.297 -2.047 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.694 5.303 -4.997 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.610 5.855 -2.846 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.312 5.831 -4.573 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.198 7.414 -5.886 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.719 7.988 -1.931 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.768 9.798 -6.021 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.296 10.372 -2.060 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.145 12.005 -3.283 1.00 0.00 H new ATOM 949 N VAL A 63 -3.406 2.924 -3.012 1.00 0.00 N ATOM 950 CA VAL A 63 -3.067 1.517 -2.834 1.00 0.00 C ATOM 951 C VAL A 63 -4.310 0.685 -2.540 1.00 0.00 C ATOM 952 O VAL A 63 -5.415 1.218 -2.431 1.00 0.00 O ATOM 953 CB VAL A 63 -2.051 1.324 -1.693 1.00 0.00 C ATOM 954 CG1 VAL A 63 -0.718 1.963 -2.051 1.00 0.00 C ATOM 955 CG2 VAL A 63 -2.596 1.898 -0.393 1.00 0.00 C ATOM 0 H VAL A 63 -4.127 3.267 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.620 1.179 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.887 0.256 -1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.013 1.816 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.324 1.501 -2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.860 3.030 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.866 1.753 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.790 2.963 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.524 1.389 -0.131 1.00 0.00 H new ATOM 965 N ASP A 64 -4.123 -0.624 -2.411 1.00 0.00 N ATOM 966 CA ASP A 64 -5.229 -1.531 -2.127 1.00 0.00 C ATOM 967 C ASP A 64 -4.793 -2.636 -1.169 1.00 0.00 C ATOM 968 O ASP A 64 -4.134 -3.595 -1.570 1.00 0.00 O ATOM 969 CB ASP A 64 -5.761 -2.143 -3.423 1.00 0.00 C ATOM 970 CG ASP A 64 -6.852 -1.302 -4.055 1.00 0.00 C ATOM 971 OD1 ASP A 64 -7.755 -0.851 -3.319 1.00 0.00 O ATOM 972 OD2 ASP A 64 -6.804 -1.095 -5.286 1.00 0.00 O ATOM 0 H ASP A 64 -3.215 -1.081 -2.499 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.025 -0.957 -1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.940 -2.259 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.148 -3.141 -3.218 1.00 0.00 H new ATOM 977 N VAL A 65 -5.165 -2.493 0.099 1.00 0.00 N ATOM 978 CA VAL A 65 -4.814 -3.479 1.114 1.00 0.00 C ATOM 979 C VAL A 65 -5.405 -4.844 0.783 1.00 0.00 C ATOM 980 O VAL A 65 -6.624 -5.002 0.703 1.00 0.00 O ATOM 981 CB VAL A 65 -5.301 -3.046 2.510 1.00 0.00 C ATOM 982 CG1 VAL A 65 -6.773 -2.668 2.468 1.00 0.00 C ATOM 983 CG2 VAL A 65 -5.054 -4.150 3.526 1.00 0.00 C ATOM 0 H VAL A 65 -5.709 -1.704 0.448 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.726 -3.550 1.122 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.734 -2.167 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.099 -2.365 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.917 -1.842 1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.360 -3.526 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.404 -3.827 4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.594 -5.048 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.987 -4.367 3.575 1.00 0.00 H new ATOM 993 N LEU A 66 -4.535 -5.829 0.591 1.00 0.00 N ATOM 994 CA LEU A 66 -4.970 -7.184 0.269 1.00 0.00 C ATOM 995 C LEU A 66 -5.332 -7.955 1.534 1.00 0.00 C ATOM 996 O LEU A 66 -4.466 -8.271 2.349 1.00 0.00 O ATOM 997 CB LEU A 66 -3.873 -7.924 -0.498 1.00 0.00 C ATOM 998 CG LEU A 66 -3.274 -7.185 -1.694 1.00 0.00 C ATOM 999 CD1 LEU A 66 -1.890 -7.726 -2.018 1.00 0.00 C ATOM 1000 CD2 LEU A 66 -4.189 -7.299 -2.905 1.00 0.00 C ATOM 0 H LEU A 66 -3.523 -5.715 0.653 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.859 -7.115 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.068 -8.161 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.280 -8.872 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.178 -6.131 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.480 -7.188 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.236 -7.592 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.961 -8.787 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.746 -6.767 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.317 -8.349 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.160 -6.863 -2.670 1.00 0.00 H new ATOM 1012 N SER A 67 -6.618 -8.257 1.689 1.00 0.00 N ATOM 1013 CA SER A 67 -7.095 -8.990 2.856 1.00 0.00 C ATOM 1014 C SER A 67 -6.816 -10.483 2.710 1.00 0.00 C ATOM 1015 O SER A 67 -6.174 -11.092 3.566 1.00 0.00 O ATOM 1016 CB SER A 67 -8.594 -8.756 3.053 1.00 0.00 C ATOM 1017 OG SER A 67 -9.109 -9.588 4.079 1.00 0.00 O ATOM 0 H SER A 67 -7.347 -8.005 1.022 1.00 0.00 H new ATOM 0 HA SER A 67 -6.559 -8.622 3.731 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.772 -7.710 3.304 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.122 -8.954 2.120 1.00 0.00 H new ATOM 0 HG SER A 67 -10.068 -9.419 4.187 1.00 0.00 H new ATOM 1023 N SER A 68 -7.305 -11.066 1.620 1.00 0.00 N ATOM 1024 CA SER A 68 -7.112 -12.489 1.363 1.00 0.00 C ATOM 1025 C SER A 68 -5.693 -12.918 1.721 1.00 0.00 C ATOM 1026 O SER A 68 -5.491 -13.829 2.524 1.00 0.00 O ATOM 1027 CB SER A 68 -7.398 -12.806 -0.106 1.00 0.00 C ATOM 1028 OG SER A 68 -8.791 -12.787 -0.370 1.00 0.00 O ATOM 0 H SER A 68 -7.837 -10.576 0.901 1.00 0.00 H new ATOM 0 HA SER A 68 -7.809 -13.045 1.990 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.894 -12.079 -0.743 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.991 -13.786 -0.356 1.00 0.00 H new ATOM 0 HG SER A 68 -8.948 -12.991 -1.316 1.00 0.00 H new ATOM 1034 N GLY A 69 -4.711 -12.255 1.118 1.00 0.00 N ATOM 1035 CA GLY A 69 -3.322 -12.582 1.385 1.00 0.00 C ATOM 1036 C GLY A 69 -2.744 -13.539 0.360 1.00 0.00 C ATOM 1037 O GLY A 69 -3.457 -14.082 -0.484 1.00 0.00 O ATOM 0 H GLY A 69 -4.852 -11.498 0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.732 -11.666 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.241 -13.025 2.378 1.00 0.00 H new ATOM 1041 N PRO A 70 -1.422 -13.756 0.427 1.00 0.00 N ATOM 1042 CA PRO A 70 -0.720 -14.653 -0.495 1.00 0.00 C ATOM 1043 C PRO A 70 -1.071 -16.118 -0.259 1.00 0.00 C ATOM 1044 O PRO A 70 -0.781 -16.673 0.801 1.00 0.00 O ATOM 1045 CB PRO A 70 0.757 -14.400 -0.181 1.00 0.00 C ATOM 1046 CG PRO A 70 0.766 -13.914 1.228 1.00 0.00 C ATOM 1047 CD PRO A 70 -0.512 -13.142 1.408 1.00 0.00 C ATOM 0 HA PRO A 70 -0.988 -14.460 -1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.347 -15.310 -0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.185 -13.660 -0.858 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.820 -14.748 1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.634 -13.282 1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.896 -13.232 2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.370 -12.079 1.214 1.00 0.00 H new ATOM 1055 N SER A 71 -1.698 -16.739 -1.253 1.00 0.00 N ATOM 1056 CA SER A 71 -2.092 -18.139 -1.152 1.00 0.00 C ATOM 1057 C SER A 71 -0.940 -19.058 -1.549 1.00 0.00 C ATOM 1058 O SER A 71 -0.031 -18.654 -2.274 1.00 0.00 O ATOM 1059 CB SER A 71 -3.308 -18.415 -2.038 1.00 0.00 C ATOM 1060 OG SER A 71 -2.935 -18.504 -3.402 1.00 0.00 O ATOM 0 H SER A 71 -1.944 -16.294 -2.137 1.00 0.00 H new ATOM 0 HA SER A 71 -2.355 -18.342 -0.114 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.785 -19.344 -1.727 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.043 -17.621 -1.910 1.00 0.00 H new ATOM 0 HG SER A 71 -3.729 -18.683 -3.947 1.00 0.00 H new ATOM 1066 N SER A 72 -0.986 -20.296 -1.068 1.00 0.00 N ATOM 1067 CA SER A 72 0.055 -21.272 -1.369 1.00 0.00 C ATOM 1068 C SER A 72 0.146 -21.523 -2.871 1.00 0.00 C ATOM 1069 O SER A 72 1.203 -21.353 -3.477 1.00 0.00 O ATOM 1070 CB SER A 72 -0.222 -22.587 -0.636 1.00 0.00 C ATOM 1071 OG SER A 72 0.156 -22.500 0.727 1.00 0.00 O ATOM 0 H SER A 72 -1.733 -20.647 -0.468 1.00 0.00 H new ATOM 0 HA SER A 72 1.008 -20.868 -1.027 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.282 -22.831 -0.708 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.325 -23.398 -1.117 1.00 0.00 H new ATOM 0 HG SER A 72 -0.032 -23.352 1.174 1.00 0.00 H new ATOM 1077 N GLY A 73 -0.972 -21.930 -3.466 1.00 0.00 N ATOM 1078 CA GLY A 73 -0.997 -22.198 -4.892 1.00 0.00 C ATOM 1079 C GLY A 73 -2.333 -22.746 -5.354 1.00 0.00 C ATOM 1080 O GLY A 73 -2.543 -22.962 -6.548 1.00 0.00 O ATOM 0 H GLY A 73 -1.860 -22.079 -2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.777 -21.279 -5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.210 -22.911 -5.139 1.00 0.00 H new TER 1084 GLY A 73