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 125 ASN : amide:sc= 0.723 K(o=1.5,f=-3) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 139:sc= 0.742 (180deg=0) USER MOD Set 2.1: A 92 THR OG1 : rot -46:sc= 1.25 USER MOD Set 2.2: A 93 GLN : amide:sc= -0.719 K(o=0.53,f=-2.5!) USER MOD Set 3.1: A 78 SER OG : rot -94:sc= 1.6 USER MOD Set 3.2: A 80 CYS SG : rot 89:sc= 0.393 USER MOD Set 4.1: A 11 ASN : amide:sc= 0.837 K(o=1.8,f=-3.5) USER MOD Set 4.2: A 16 GLN : amide:sc= 0.707 K(o=1.8,f=-3.7) USER MOD Set 4.3: A 60 GLN : amide:sc= 0.266 K(o=1.8,f=-5) USER MOD Set 5.1: A 3 LYS NZ :NH3+ 153:sc= 1.37 (180deg=1.18) USER MOD Set 5.2: A 5 MET CE :methyl -153:sc= -0.116 (180deg=-1.55) USER MOD Set 5.3: A 33 THR OG1 : rot 167:sc= 1.2 USER MOD Set 5.4: A 35 CYS SG : rot -87:sc= 1.06 USER MOD Set 5.5: A 73 TYR OH : rot -161:sc= 2.13 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0122 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -169:sc= 0.889 (180deg=0.338) USER MOD Single : A 8 CYS SG : rot 176:sc= 0.344 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -28:sc= 1.3 USER MOD Single : A 13 CYS SG : rot 111:sc= -0.2 USER MOD Single : A 15 SER OG : rot -100:sc= -0.1 USER MOD Single : A 17 MET CE :methyl 180:sc= -0.0854 (180deg=-0.0854) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -150:sc= 0.906 USER MOD Single : A 39 SER OG : rot -153:sc= 0.986 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -2.44 X(o=-2.4,f=-2.4) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -147:sc= -1.56 (180deg=-3.19!) USER MOD Single : A 50 MET CE :methyl -127:sc= -4.52 (180deg=-14.1!) USER MOD Single : A 58 SER OG : rot -84:sc= 1.25 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 142:sc= -0.352 USER MOD Single : A 67 ASN : amide:sc= 1.1 K(o=1.1,f=-0.52) USER MOD Single : A 69 ASN : amide:sc= 0.86 K(o=0.86,f=-0.017) USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.952 K(o=0.95,f=-6.4!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.284 K(o=0.28,f=-0.66) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 118 GLN : amide:sc= 0.198 K(o=0.2,f=-7.8!) USER MOD Single : A 120 LYS NZ :NH3+ -164:sc= 1.27 (180deg=1.2) USER MOD Single : A 131 SER OG : rot 83:sc= 0.38 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.159 0.426 -0.281 1.00 0.00 N ATOM 2 CA MET A 1 2.043 1.093 -1.269 1.00 0.00 C ATOM 3 C MET A 1 3.510 0.906 -0.878 1.00 0.00 C ATOM 4 O MET A 1 3.876 0.969 0.298 1.00 0.00 O ATOM 5 CB MET A 1 1.682 2.582 -1.439 1.00 0.00 C ATOM 6 CG MET A 1 2.613 3.342 -2.396 1.00 0.00 C ATOM 7 SD MET A 1 2.052 5.021 -2.779 1.00 0.00 S ATOM 8 CE MET A 1 1.167 4.746 -4.333 1.00 0.00 C ATOM 0 H1 MET A 1 0.390 1.072 -0.011 1.00 0.00 H new ATOM 0 H2 MET A 1 0.756 -0.435 -0.702 1.00 0.00 H new ATOM 0 H3 MET A 1 1.711 0.173 0.563 1.00 0.00 H new ATOM 0 HA MET A 1 1.888 0.621 -2.239 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.659 2.658 -1.806 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.707 3.066 -0.463 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.609 3.393 -1.956 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.704 2.778 -3.324 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.763 5.692 -4.694 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.853 4.337 -5.075 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.351 4.043 -4.167 1.00 0.00 H new ATOM 18 N LYS A 2 4.364 0.675 -1.878 1.00 0.00 N ATOM 19 CA LYS A 2 5.803 0.521 -1.690 1.00 0.00 C ATOM 20 C LYS A 2 6.432 1.895 -1.475 1.00 0.00 C ATOM 21 O LYS A 2 6.229 2.801 -2.282 1.00 0.00 O ATOM 22 CB LYS A 2 6.387 -0.208 -2.887 1.00 0.00 C ATOM 23 CG LYS A 2 6.071 -1.708 -2.742 1.00 0.00 C ATOM 24 CD LYS A 2 6.861 -2.435 -3.812 1.00 0.00 C ATOM 25 CE LYS A 2 6.854 -3.969 -3.686 1.00 0.00 C ATOM 26 NZ LYS A 2 7.724 -4.427 -2.580 1.00 0.00 N ATOM 0 H LYS A 2 4.069 0.589 -2.851 1.00 0.00 H new ATOM 0 HA LYS A 2 6.019 -0.078 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.963 0.181 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.464 -0.050 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.347 -2.066 -1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.003 -1.890 -2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.460 -2.162 -4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.893 -2.086 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.835 -4.316 -3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.190 -4.413 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.845 -5.458 -2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.653 -3.965 -2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.287 -4.180 -1.669 1.00 0.00 H new ATOM 40 N LYS A 3 7.196 2.066 -0.401 1.00 0.00 N ATOM 41 CA LYS A 3 7.922 3.307 -0.143 1.00 0.00 C ATOM 42 C LYS A 3 9.347 3.174 -0.638 1.00 0.00 C ATOM 43 O LYS A 3 10.022 2.230 -0.235 1.00 0.00 O ATOM 44 CB LYS A 3 7.882 3.631 1.360 1.00 0.00 C ATOM 45 CG LYS A 3 6.636 4.492 1.626 1.00 0.00 C ATOM 46 CD LYS A 3 6.573 5.111 3.028 1.00 0.00 C ATOM 47 CE LYS A 3 7.716 6.112 3.245 1.00 0.00 C ATOM 48 NZ LYS A 3 7.517 6.953 4.447 1.00 0.00 N ATOM 0 H LYS A 3 7.330 1.351 0.314 1.00 0.00 H new ATOM 0 HA LYS A 3 7.449 4.130 -0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.844 2.713 1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.785 4.164 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.600 5.293 0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.748 3.879 1.474 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.615 5.614 3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.629 4.323 3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.657 5.569 3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.804 6.753 2.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.441 7.260 4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.949 7.788 4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.021 6.403 5.177 1.00 0.00 H new ATOM 62 N VAL A 4 9.837 4.120 -1.432 1.00 0.00 N ATOM 63 CA VAL A 4 11.237 4.173 -1.813 1.00 0.00 C ATOM 64 C VAL A 4 11.929 5.290 -1.046 1.00 0.00 C ATOM 65 O VAL A 4 11.373 6.377 -0.871 1.00 0.00 O ATOM 66 CB VAL A 4 11.364 4.302 -3.343 1.00 0.00 C ATOM 67 CG1 VAL A 4 10.762 5.572 -3.950 1.00 0.00 C ATOM 68 CG2 VAL A 4 12.830 4.203 -3.790 1.00 0.00 C ATOM 0 H VAL A 4 9.271 4.871 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 4 11.744 3.246 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 4 10.776 3.465 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.906 5.562 -5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.696 5.612 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.255 6.447 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.887 4.298 -4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.407 5.003 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.238 3.238 -3.488 1.00 0.00 H new ATOM 78 N MET A 5 13.154 5.007 -0.620 1.00 0.00 N ATOM 79 CA MET A 5 14.061 5.996 -0.059 1.00 0.00 C ATOM 80 C MET A 5 15.266 6.124 -0.987 1.00 0.00 C ATOM 81 O MET A 5 15.759 5.104 -1.470 1.00 0.00 O ATOM 82 CB MET A 5 14.496 5.578 1.353 1.00 0.00 C ATOM 83 CG MET A 5 15.462 6.589 1.974 1.00 0.00 C ATOM 84 SD MET A 5 14.790 8.264 2.163 1.00 0.00 S ATOM 85 CE MET A 5 14.229 8.165 3.882 1.00 0.00 C ATOM 0 H MET A 5 13.550 4.068 -0.656 1.00 0.00 H new ATOM 0 HA MET A 5 13.562 6.961 0.023 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.617 5.478 1.989 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.973 4.599 1.311 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.769 6.223 2.954 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.359 6.640 1.357 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.403 8.859 4.036 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.896 7.150 4.098 1.00 0.00 H new ATOM 0 HE3 MET A 5 15.051 8.426 4.549 1.00 0.00 H new ATOM 95 N PHE A 6 15.779 7.341 -1.173 1.00 0.00 N ATOM 96 CA PHE A 6 17.051 7.602 -1.849 1.00 0.00 C ATOM 97 C PHE A 6 17.989 8.263 -0.826 1.00 0.00 C ATOM 98 O PHE A 6 17.544 9.160 -0.110 1.00 0.00 O ATOM 99 CB PHE A 6 16.851 8.480 -3.083 1.00 0.00 C ATOM 100 CG PHE A 6 15.926 7.875 -4.124 1.00 0.00 C ATOM 101 CD1 PHE A 6 16.437 7.002 -5.108 1.00 0.00 C ATOM 102 CD2 PHE A 6 14.551 8.177 -4.105 1.00 0.00 C ATOM 103 CE1 PHE A 6 15.584 6.434 -6.075 1.00 0.00 C ATOM 104 CE2 PHE A 6 13.706 7.585 -5.061 1.00 0.00 C ATOM 105 CZ PHE A 6 14.214 6.720 -6.038 1.00 0.00 C ATOM 0 H PHE A 6 15.313 8.190 -0.852 1.00 0.00 H new ATOM 0 HA PHE A 6 17.490 6.671 -2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.449 9.444 -2.770 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.821 8.673 -3.541 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.491 6.767 -5.120 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.150 8.855 -3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 6 15.984 5.783 -6.839 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.648 7.801 -5.041 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.549 6.274 -6.763 1.00 0.00 H new ATOM 115 N VAL A 7 19.263 7.870 -0.724 1.00 0.00 N ATOM 116 CA VAL A 7 20.161 8.307 0.355 1.00 0.00 C ATOM 117 C VAL A 7 21.544 8.619 -0.229 1.00 0.00 C ATOM 118 O VAL A 7 22.194 7.707 -0.732 1.00 0.00 O ATOM 119 CB VAL A 7 20.307 7.182 1.415 1.00 0.00 C ATOM 120 CG1 VAL A 7 21.076 7.688 2.644 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.979 6.565 1.873 1.00 0.00 C ATOM 0 H VAL A 7 19.704 7.236 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 7 19.742 9.197 0.825 1.00 0.00 H new ATOM 0 HB VAL A 7 20.863 6.392 0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 7 21.166 6.883 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 7 22.070 8.017 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.538 8.524 3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.174 5.789 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 7 18.352 7.339 2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.466 6.129 1.016 1.00 0.00 H new ATOM 131 N CYS A 8 22.034 9.861 -0.129 1.00 0.00 N ATOM 132 CA CYS A 8 23.356 10.253 -0.636 1.00 0.00 C ATOM 133 C CYS A 8 24.254 10.659 0.528 1.00 0.00 C ATOM 134 O CYS A 8 23.778 10.972 1.617 1.00 0.00 O ATOM 135 CB CYS A 8 23.210 11.362 -1.710 1.00 0.00 C ATOM 136 SG CYS A 8 24.783 12.012 -2.359 1.00 0.00 S ATOM 0 H CYS A 8 21.522 10.627 0.308 1.00 0.00 H new ATOM 0 HA CYS A 8 23.836 9.407 -1.128 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.626 10.968 -2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.641 12.188 -1.284 1.00 0.00 H new ATOM 0 HG CYS A 8 24.541 12.873 -3.302 1.00 0.00 H new ATOM 142 N LYS A 9 25.564 10.718 0.286 1.00 0.00 N ATOM 143 CA LYS A 9 26.543 11.241 1.234 1.00 0.00 C ATOM 144 C LYS A 9 26.306 12.719 1.581 1.00 0.00 C ATOM 145 O LYS A 9 26.771 13.149 2.636 1.00 0.00 O ATOM 146 CB LYS A 9 27.963 11.002 0.683 1.00 0.00 C ATOM 147 CG LYS A 9 28.695 9.922 1.491 1.00 0.00 C ATOM 148 CD LYS A 9 30.055 9.615 0.856 1.00 0.00 C ATOM 149 CE LYS A 9 30.885 8.690 1.757 1.00 0.00 C ATOM 150 NZ LYS A 9 32.283 8.547 1.273 1.00 0.00 N ATOM 0 H LYS A 9 25.979 10.398 -0.589 1.00 0.00 H new ATOM 0 HA LYS A 9 26.427 10.701 2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.905 10.701 -0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.530 11.932 0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.833 10.258 2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 9 28.091 9.015 1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.909 9.146 -0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.598 10.544 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 9 30.892 9.085 2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 9 30.414 7.708 1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 32.808 7.914 1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 32.279 8.146 0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 32.742 9.480 1.256 1.00 0.00 H new ATOM 164 N ARG A 10 25.591 13.486 0.739 1.00 0.00 N ATOM 165 CA ARG A 10 25.230 14.879 1.036 1.00 0.00 C ATOM 166 C ARG A 10 23.760 15.226 0.804 1.00 0.00 C ATOM 167 O ARG A 10 23.393 16.375 1.037 1.00 0.00 O ATOM 168 CB ARG A 10 26.162 15.861 0.299 1.00 0.00 C ATOM 169 CG ARG A 10 25.994 15.961 -1.236 1.00 0.00 C ATOM 170 CD ARG A 10 26.659 17.251 -1.739 1.00 0.00 C ATOM 171 NE ARG A 10 28.113 17.278 -1.488 1.00 0.00 N ATOM 172 CZ ARG A 10 29.068 16.759 -2.272 1.00 0.00 C ATOM 173 NH1 ARG A 10 28.765 16.192 -3.435 1.00 0.00 N ATOM 174 NH2 ARG A 10 30.337 16.812 -1.880 1.00 0.00 N ATOM 0 H ARG A 10 25.249 13.156 -0.164 1.00 0.00 H new ATOM 0 HA ARG A 10 25.374 14.987 2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 10 26.013 16.854 0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 10 27.192 15.575 0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 10 26.445 15.094 -1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 10 24.936 15.958 -1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 10 26.477 17.355 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 10 26.194 18.108 -1.252 1.00 0.00 H new ATOM 0 HE ARG A 10 28.422 17.738 -0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 10 27.794 16.147 -3.743 1.00 0.00 H new ATOM 0 HH12 ARG A 10 29.504 15.802 -4.020 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.578 17.245 -0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 10 31.070 16.419 -2.471 1.00 0.00 H new ATOM 188 N ASN A 11 22.925 14.284 0.343 1.00 0.00 N ATOM 189 CA ASN A 11 21.539 14.465 -0.140 1.00 0.00 C ATOM 190 C ASN A 11 21.392 15.364 -1.378 1.00 0.00 C ATOM 191 O ASN A 11 20.728 14.958 -2.328 1.00 0.00 O ATOM 192 CB ASN A 11 20.620 15.002 0.970 1.00 0.00 C ATOM 193 CG ASN A 11 19.236 15.326 0.427 1.00 0.00 C ATOM 194 OD1 ASN A 11 18.859 16.484 0.330 1.00 0.00 O ATOM 195 ND2 ASN A 11 18.466 14.332 0.032 1.00 0.00 N ATOM 0 H ASN A 11 23.215 13.307 0.292 1.00 0.00 H new ATOM 0 HA ASN A 11 21.237 13.462 -0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.537 14.263 1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 11 21.060 15.897 1.409 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.544 14.525 -0.360 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.792 13.369 0.118 1.00 0.00 H new ATOM 202 N SER A 12 22.017 16.541 -1.367 1.00 0.00 N ATOM 203 CA SER A 12 21.877 17.673 -2.278 1.00 0.00 C ATOM 204 C SER A 12 21.520 17.422 -3.742 1.00 0.00 C ATOM 205 O SER A 12 20.739 18.213 -4.280 1.00 0.00 O ATOM 206 CB SER A 12 23.163 18.492 -2.231 1.00 0.00 C ATOM 207 OG SER A 12 23.524 18.777 -0.889 1.00 0.00 O ATOM 0 H SER A 12 22.706 16.744 -0.643 1.00 0.00 H new ATOM 0 HA SER A 12 20.990 18.179 -1.897 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.968 17.944 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 12 23.029 19.422 -2.783 1.00 0.00 H new ATOM 0 HG SER A 12 22.718 18.807 -0.333 1.00 0.00 H new ATOM 213 N CYS A 13 22.081 16.397 -4.394 1.00 0.00 N ATOM 214 CA CYS A 13 21.949 16.251 -5.837 1.00 0.00 C ATOM 215 C CYS A 13 21.433 14.867 -6.211 1.00 0.00 C ATOM 216 O CYS A 13 20.330 14.790 -6.761 1.00 0.00 O ATOM 217 CB CYS A 13 23.283 16.555 -6.532 1.00 0.00 C ATOM 218 SG CYS A 13 24.136 17.988 -5.822 1.00 0.00 S ATOM 0 H CYS A 13 22.627 15.663 -3.943 1.00 0.00 H new ATOM 0 HA CYS A 13 21.212 16.975 -6.184 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.931 15.681 -6.462 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.102 16.734 -7.592 1.00 0.00 H new ATOM 0 HG CYS A 13 25.201 17.591 -5.192 1.00 0.00 H new ATOM 224 N ARG A 14 22.184 13.785 -5.926 1.00 0.00 N ATOM 225 CA ARG A 14 21.803 12.457 -6.431 1.00 0.00 C ATOM 226 C ARG A 14 20.393 12.098 -5.938 1.00 0.00 C ATOM 227 O ARG A 14 19.535 11.744 -6.747 1.00 0.00 O ATOM 228 CB ARG A 14 22.793 11.345 -6.021 1.00 0.00 C ATOM 229 CG ARG A 14 24.218 11.421 -6.597 1.00 0.00 C ATOM 230 CD ARG A 14 25.037 10.279 -5.969 1.00 0.00 C ATOM 231 NE ARG A 14 26.498 10.392 -6.146 1.00 0.00 N ATOM 232 CZ ARG A 14 27.427 10.318 -5.173 1.00 0.00 C ATOM 233 NH1 ARG A 14 27.088 10.193 -3.899 1.00 0.00 N ATOM 234 NH2 ARG A 14 28.720 10.384 -5.458 1.00 0.00 N ATOM 0 H ARG A 14 23.035 13.804 -5.364 1.00 0.00 H new ATOM 0 HA ARG A 14 21.824 12.517 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 14 22.868 11.345 -4.934 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.363 10.386 -6.311 1.00 0.00 H new ATOM 0 HG2 ARG A 14 24.198 11.325 -7.683 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.671 12.386 -6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.817 10.238 -4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.705 9.334 -6.400 1.00 0.00 H new ATOM 0 HE ARG A 14 26.837 10.540 -7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 14 26.104 10.151 -3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 14 27.811 10.139 -3.182 1.00 0.00 H new ATOM 0 HH21 ARG A 14 29.024 10.492 -6.426 1.00 0.00 H new ATOM 0 HH22 ARG A 14 29.411 10.326 -4.710 1.00 0.00 H new ATOM 248 N SER A 15 20.138 12.220 -4.629 1.00 0.00 N ATOM 249 CA SER A 15 18.872 11.802 -4.039 1.00 0.00 C ATOM 250 C SER A 15 17.732 12.718 -4.490 1.00 0.00 C ATOM 251 O SER A 15 16.625 12.246 -4.739 1.00 0.00 O ATOM 252 CB SER A 15 18.944 11.859 -2.512 1.00 0.00 C ATOM 253 OG SER A 15 20.213 11.514 -2.004 1.00 0.00 O ATOM 0 H SER A 15 20.801 12.609 -3.959 1.00 0.00 H new ATOM 0 HA SER A 15 18.683 10.781 -4.370 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.688 12.865 -2.180 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.196 11.185 -2.094 1.00 0.00 H new ATOM 0 HG SER A 15 20.199 10.586 -1.691 1.00 0.00 H new ATOM 259 N GLN A 16 17.963 14.035 -4.552 1.00 0.00 N ATOM 260 CA GLN A 16 16.877 14.992 -4.761 1.00 0.00 C ATOM 261 C GLN A 16 16.331 14.893 -6.182 1.00 0.00 C ATOM 262 O GLN A 16 15.115 14.897 -6.363 1.00 0.00 O ATOM 263 CB GLN A 16 17.333 16.426 -4.445 1.00 0.00 C ATOM 264 CG GLN A 16 17.699 16.623 -2.967 1.00 0.00 C ATOM 265 CD GLN A 16 16.537 16.348 -2.014 1.00 0.00 C ATOM 266 OE1 GLN A 16 16.361 15.235 -1.529 1.00 0.00 O ATOM 267 NE2 GLN A 16 15.692 17.327 -1.755 1.00 0.00 N ATOM 0 H GLN A 16 18.887 14.457 -4.461 1.00 0.00 H new ATOM 0 HA GLN A 16 16.071 14.740 -4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.196 16.673 -5.064 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.539 17.122 -4.714 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.530 15.964 -2.715 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.047 17.645 -2.819 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.842 18.251 -2.160 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.888 17.160 -1.149 1.00 0.00 H new ATOM 276 N MET A 17 17.203 14.743 -7.181 1.00 0.00 N ATOM 277 CA MET A 17 16.754 14.463 -8.537 1.00 0.00 C ATOM 278 C MET A 17 16.008 13.130 -8.600 1.00 0.00 C ATOM 279 O MET A 17 14.954 13.051 -9.235 1.00 0.00 O ATOM 280 CB MET A 17 17.943 14.476 -9.503 1.00 0.00 C ATOM 281 CG MET A 17 18.380 15.904 -9.847 1.00 0.00 C ATOM 282 SD MET A 17 19.483 16.038 -11.282 1.00 0.00 S ATOM 283 CE MET A 17 21.005 15.339 -10.594 1.00 0.00 C ATOM 0 H MET A 17 18.215 14.811 -7.074 1.00 0.00 H new ATOM 0 HA MET A 17 16.058 15.245 -8.840 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.779 13.937 -9.058 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.674 13.948 -10.418 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.491 16.506 -10.033 1.00 0.00 H new ATOM 0 HG3 MET A 17 18.881 16.334 -8.980 1.00 0.00 H new ATOM 0 HE1 MET A 17 21.786 15.349 -11.354 1.00 0.00 H new ATOM 0 HE2 MET A 17 21.324 15.934 -9.738 1.00 0.00 H new ATOM 0 HE3 MET A 17 20.822 14.313 -10.275 1.00 0.00 H new ATOM 293 N ALA A 18 16.508 12.098 -7.909 1.00 0.00 N ATOM 294 CA ALA A 18 15.811 10.822 -7.843 1.00 0.00 C ATOM 295 C ALA A 18 14.406 10.995 -7.258 1.00 0.00 C ATOM 296 O ALA A 18 13.489 10.302 -7.697 1.00 0.00 O ATOM 297 CB ALA A 18 16.616 9.807 -7.030 1.00 0.00 C ATOM 0 H ALA A 18 17.387 12.128 -7.393 1.00 0.00 H new ATOM 0 HA ALA A 18 15.708 10.441 -8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.077 8.860 -6.993 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.588 9.653 -7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.758 10.183 -6.017 1.00 0.00 H new ATOM 303 N GLU A 19 14.233 11.936 -6.319 1.00 0.00 N ATOM 304 CA GLU A 19 12.945 12.229 -5.711 1.00 0.00 C ATOM 305 C GLU A 19 11.966 12.646 -6.804 1.00 0.00 C ATOM 306 O GLU A 19 11.001 11.932 -7.077 1.00 0.00 O ATOM 307 CB GLU A 19 13.030 13.324 -4.626 1.00 0.00 C ATOM 308 CG GLU A 19 11.877 13.155 -3.624 1.00 0.00 C ATOM 309 CD GLU A 19 11.580 14.443 -2.849 1.00 0.00 C ATOM 310 OE1 GLU A 19 11.161 15.435 -3.488 1.00 0.00 O ATOM 311 OE2 GLU A 19 11.741 14.459 -1.608 1.00 0.00 O ATOM 0 H GLU A 19 14.994 12.515 -5.963 1.00 0.00 H new ATOM 0 HA GLU A 19 12.599 11.324 -5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.987 13.261 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.981 14.310 -5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.980 12.840 -4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.125 12.360 -2.920 1.00 0.00 H new ATOM 318 N GLY A 20 12.245 13.786 -7.447 1.00 0.00 N ATOM 319 CA GLY A 20 11.363 14.374 -8.444 1.00 0.00 C ATOM 320 C GLY A 20 11.038 13.406 -9.584 1.00 0.00 C ATOM 321 O GLY A 20 9.883 13.358 -10.018 1.00 0.00 O ATOM 0 H GLY A 20 13.096 14.324 -7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.436 14.689 -7.964 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.830 15.270 -8.854 1.00 0.00 H new ATOM 325 N PHE A 21 12.003 12.606 -10.060 1.00 0.00 N ATOM 326 CA PHE A 21 11.700 11.630 -11.103 1.00 0.00 C ATOM 327 C PHE A 21 10.770 10.552 -10.542 1.00 0.00 C ATOM 328 O PHE A 21 9.772 10.244 -11.182 1.00 0.00 O ATOM 329 CB PHE A 21 12.965 11.032 -11.753 1.00 0.00 C ATOM 330 CG PHE A 21 13.866 12.034 -12.462 1.00 0.00 C ATOM 331 CD1 PHE A 21 13.352 12.925 -13.432 1.00 0.00 C ATOM 332 CD2 PHE A 21 15.224 12.120 -12.106 1.00 0.00 C ATOM 333 CE1 PHE A 21 14.141 13.990 -13.904 1.00 0.00 C ATOM 334 CE2 PHE A 21 16.022 13.162 -12.606 1.00 0.00 C ATOM 335 CZ PHE A 21 15.458 14.126 -13.456 1.00 0.00 C ATOM 0 H PHE A 21 12.974 12.617 -9.746 1.00 0.00 H new ATOM 0 HA PHE A 21 11.186 12.149 -11.912 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.546 10.527 -10.981 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.660 10.271 -12.471 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.350 12.788 -13.812 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.655 11.382 -11.446 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.731 14.699 -14.609 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.066 13.221 -12.337 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.045 14.978 -13.766 1.00 0.00 H new ATOM 345 N ALA A 22 11.010 10.009 -9.346 1.00 0.00 N ATOM 346 CA ALA A 22 10.199 8.927 -8.794 1.00 0.00 C ATOM 347 C ALA A 22 8.754 9.354 -8.527 1.00 0.00 C ATOM 348 O ALA A 22 7.841 8.616 -8.897 1.00 0.00 O ATOM 349 CB ALA A 22 10.858 8.394 -7.523 1.00 0.00 C ATOM 0 H ALA A 22 11.771 10.308 -8.736 1.00 0.00 H new ATOM 0 HA ALA A 22 10.149 8.132 -9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.253 7.586 -7.111 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.853 8.018 -7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.939 9.197 -6.791 1.00 0.00 H new ATOM 355 N LYS A 23 8.502 10.537 -7.953 1.00 0.00 N ATOM 356 CA LYS A 23 7.135 11.024 -7.781 1.00 0.00 C ATOM 357 C LYS A 23 6.458 11.392 -9.103 1.00 0.00 C ATOM 358 O LYS A 23 5.251 11.620 -9.101 1.00 0.00 O ATOM 359 CB LYS A 23 7.032 12.164 -6.757 1.00 0.00 C ATOM 360 CG LYS A 23 8.133 13.223 -6.842 1.00 0.00 C ATOM 361 CD LYS A 23 7.684 14.568 -6.271 1.00 0.00 C ATOM 362 CE LYS A 23 6.905 15.325 -7.353 1.00 0.00 C ATOM 363 NZ LYS A 23 6.394 16.634 -6.872 1.00 0.00 N ATOM 0 H LYS A 23 9.223 11.168 -7.603 1.00 0.00 H new ATOM 0 HA LYS A 23 6.581 10.179 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.067 12.656 -6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.042 11.733 -5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.012 12.875 -6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.431 13.353 -7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.058 14.415 -5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.548 15.150 -5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.551 15.485 -8.217 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.068 14.713 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.875 17.107 -7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.756 16.482 -6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.193 17.231 -6.575 1.00 0.00 H new ATOM 377 N THR A 24 7.172 11.439 -10.225 1.00 0.00 N ATOM 378 CA THR A 24 6.556 11.582 -11.527 1.00 0.00 C ATOM 379 C THR A 24 6.302 10.206 -12.159 1.00 0.00 C ATOM 380 O THR A 24 5.198 9.920 -12.623 1.00 0.00 O ATOM 381 CB THR A 24 7.478 12.465 -12.386 1.00 0.00 C ATOM 382 OG1 THR A 24 7.765 13.682 -11.722 1.00 0.00 O ATOM 383 CG2 THR A 24 6.810 12.799 -13.713 1.00 0.00 C ATOM 0 H THR A 24 8.190 11.379 -10.250 1.00 0.00 H new ATOM 0 HA THR A 24 5.580 12.060 -11.447 1.00 0.00 H new ATOM 0 HB THR A 24 8.399 11.908 -12.558 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.543 13.561 -11.138 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.476 13.424 -14.308 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.596 11.878 -14.255 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.879 13.335 -13.527 1.00 0.00 H new ATOM 391 N LEU A 25 7.323 9.350 -12.164 1.00 0.00 N ATOM 392 CA LEU A 25 7.362 8.089 -12.892 1.00 0.00 C ATOM 393 C LEU A 25 6.593 6.986 -12.179 1.00 0.00 C ATOM 394 O LEU A 25 5.925 6.178 -12.824 1.00 0.00 O ATOM 395 CB LEU A 25 8.826 7.629 -13.014 1.00 0.00 C ATOM 396 CG LEU A 25 9.733 8.523 -13.879 1.00 0.00 C ATOM 397 CD1 LEU A 25 11.177 8.079 -13.650 1.00 0.00 C ATOM 398 CD2 LEU A 25 9.374 8.425 -15.365 1.00 0.00 C ATOM 0 H LEU A 25 8.179 9.526 -11.638 1.00 0.00 H new ATOM 0 HA LEU A 25 6.903 8.262 -13.866 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.254 7.568 -12.013 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.838 6.621 -13.428 1.00 0.00 H new ATOM 0 HG LEU A 25 9.598 9.566 -13.591 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.847 8.695 -14.251 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.429 8.191 -12.595 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.287 7.034 -13.940 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.036 9.070 -15.943 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.489 7.394 -15.700 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.341 8.741 -15.511 1.00 0.00 H new ATOM 410 N GLY A 26 6.714 6.944 -10.853 1.00 0.00 N ATOM 411 CA GLY A 26 6.247 5.840 -10.034 1.00 0.00 C ATOM 412 C GLY A 26 5.091 6.187 -9.112 1.00 0.00 C ATOM 413 O GLY A 26 4.504 5.261 -8.548 1.00 0.00 O ATOM 0 H GLY A 26 7.148 7.693 -10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.942 5.023 -10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.078 5.473 -9.432 1.00 0.00 H new ATOM 417 N ALA A 27 4.738 7.468 -8.958 1.00 0.00 N ATOM 418 CA ALA A 27 3.513 7.855 -8.268 1.00 0.00 C ATOM 419 C ALA A 27 2.323 7.127 -8.907 1.00 0.00 C ATOM 420 O ALA A 27 1.965 7.399 -10.056 1.00 0.00 O ATOM 421 CB ALA A 27 3.344 9.378 -8.288 1.00 0.00 C ATOM 0 H ALA A 27 5.289 8.253 -9.305 1.00 0.00 H new ATOM 0 HA ALA A 27 3.566 7.560 -7.220 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.425 9.649 -7.769 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.193 9.845 -7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.293 9.725 -9.320 1.00 0.00 H new ATOM 427 N GLY A 28 1.764 6.161 -8.173 1.00 0.00 N ATOM 428 CA GLY A 28 0.767 5.211 -8.662 1.00 0.00 C ATOM 429 C GLY A 28 1.052 3.790 -8.164 1.00 0.00 C ATOM 430 O GLY A 28 0.113 3.025 -7.943 1.00 0.00 O ATOM 0 H GLY A 28 2.002 6.016 -7.192 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.225 5.521 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.758 5.221 -9.752 1.00 0.00 H new ATOM 434 N LYS A 29 2.328 3.449 -7.923 1.00 0.00 N ATOM 435 CA LYS A 29 2.748 2.174 -7.324 1.00 0.00 C ATOM 436 C LYS A 29 3.753 2.381 -6.195 1.00 0.00 C ATOM 437 O LYS A 29 3.835 1.538 -5.302 1.00 0.00 O ATOM 438 CB LYS A 29 3.309 1.196 -8.377 1.00 0.00 C ATOM 439 CG LYS A 29 4.625 1.628 -9.056 1.00 0.00 C ATOM 440 CD LYS A 29 4.457 2.504 -10.300 1.00 0.00 C ATOM 441 CE LYS A 29 3.945 1.684 -11.493 1.00 0.00 C ATOM 442 NZ LYS A 29 3.833 2.490 -12.737 1.00 0.00 N ATOM 0 H LYS A 29 3.111 4.064 -8.144 1.00 0.00 H new ATOM 0 HA LYS A 29 1.851 1.725 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.468 0.229 -7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.554 1.050 -9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.230 2.169 -8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.183 0.734 -9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.759 3.314 -10.086 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.411 2.965 -10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.619 0.845 -11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.970 1.264 -11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.483 1.889 -13.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.170 3.276 -12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.767 2.870 -12.990 1.00 0.00 H new ATOM 456 N ILE A 30 4.475 3.504 -6.205 1.00 0.00 N ATOM 457 CA ILE A 30 5.391 3.875 -5.138 1.00 0.00 C ATOM 458 C ILE A 30 5.116 5.291 -4.647 1.00 0.00 C ATOM 459 O ILE A 30 4.507 6.103 -5.346 1.00 0.00 O ATOM 460 CB ILE A 30 6.869 3.755 -5.584 1.00 0.00 C ATOM 461 CG1 ILE A 30 7.196 4.552 -6.865 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.278 2.290 -5.743 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.679 4.918 -6.999 1.00 0.00 C ATOM 0 H ILE A 30 4.436 4.184 -6.964 1.00 0.00 H new ATOM 0 HA ILE A 30 5.222 3.176 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 30 7.457 4.206 -4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.895 3.967 -7.734 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.602 5.466 -6.875 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.320 2.235 -6.057 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.158 1.773 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.647 1.816 -6.495 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.834 5.477 -7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.981 5.530 -6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.278 4.008 -7.021 1.00 0.00 H new ATOM 475 N ALA A 31 5.634 5.577 -3.455 1.00 0.00 N ATOM 476 CA ALA A 31 5.722 6.902 -2.866 1.00 0.00 C ATOM 477 C ALA A 31 7.181 7.066 -2.450 1.00 0.00 C ATOM 478 O ALA A 31 7.795 6.121 -1.950 1.00 0.00 O ATOM 479 CB ALA A 31 4.770 7.040 -1.674 1.00 0.00 C ATOM 0 H ALA A 31 6.021 4.854 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 31 5.424 7.680 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.857 8.042 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.745 6.874 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.029 6.303 -0.914 1.00 0.00 H new ATOM 485 N VAL A 32 7.747 8.244 -2.683 1.00 0.00 N ATOM 486 CA VAL A 32 9.165 8.492 -2.547 1.00 0.00 C ATOM 487 C VAL A 32 9.507 9.448 -1.407 1.00 0.00 C ATOM 488 O VAL A 32 8.746 10.353 -1.056 1.00 0.00 O ATOM 489 CB VAL A 32 9.665 9.020 -3.908 1.00 0.00 C ATOM 490 CG1 VAL A 32 8.822 10.153 -4.509 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.121 9.478 -3.842 1.00 0.00 C ATOM 0 H VAL A 32 7.218 9.065 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 32 9.669 7.563 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 32 9.566 8.159 -4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.250 10.458 -5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.801 9.804 -4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.815 11.003 -3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.433 9.842 -4.821 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.218 10.279 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.753 8.640 -3.549 1.00 0.00 H new ATOM 501 N THR A 33 10.715 9.249 -0.892 1.00 0.00 N ATOM 502 CA THR A 33 11.434 10.114 0.003 1.00 0.00 C ATOM 503 C THR A 33 12.888 10.072 -0.482 1.00 0.00 C ATOM 504 O THR A 33 13.362 9.038 -0.955 1.00 0.00 O ATOM 505 CB THR A 33 11.328 9.620 1.452 1.00 0.00 C ATOM 506 OG1 THR A 33 9.992 9.295 1.809 1.00 0.00 O ATOM 507 CG2 THR A 33 11.838 10.663 2.447 1.00 0.00 C ATOM 0 H THR A 33 11.249 8.409 -1.114 1.00 0.00 H new ATOM 0 HA THR A 33 11.031 11.127 -0.003 1.00 0.00 H new ATOM 0 HB THR A 33 11.949 8.725 1.501 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.991 8.793 2.651 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.746 10.274 3.461 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.884 10.885 2.237 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.248 11.575 2.353 1.00 0.00 H new ATOM 515 N SER A 34 13.605 11.175 -0.326 1.00 0.00 N ATOM 516 CA SER A 34 15.036 11.266 -0.525 1.00 0.00 C ATOM 517 C SER A 34 15.648 11.991 0.671 1.00 0.00 C ATOM 518 O SER A 34 15.009 12.871 1.256 1.00 0.00 O ATOM 519 CB SER A 34 15.303 12.014 -1.824 1.00 0.00 C ATOM 520 OG SER A 34 14.800 11.285 -2.924 1.00 0.00 O ATOM 0 H SER A 34 13.186 12.062 -0.047 1.00 0.00 H new ATOM 0 HA SER A 34 15.488 10.277 -0.599 1.00 0.00 H new ATOM 0 HB2 SER A 34 14.835 12.998 -1.787 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.374 12.174 -1.945 1.00 0.00 H new ATOM 0 HG SER A 34 15.341 11.476 -3.718 1.00 0.00 H new ATOM 526 N CYS A 35 16.872 11.620 1.051 1.00 0.00 N ATOM 527 CA CYS A 35 17.565 12.156 2.204 1.00 0.00 C ATOM 528 C CYS A 35 19.064 11.959 1.969 1.00 0.00 C ATOM 529 O CYS A 35 19.504 11.744 0.828 1.00 0.00 O ATOM 530 CB CYS A 35 17.054 11.473 3.487 1.00 0.00 C ATOM 531 SG CYS A 35 17.531 9.723 3.545 1.00 0.00 S ATOM 0 H CYS A 35 17.415 10.920 0.546 1.00 0.00 H new ATOM 0 HA CYS A 35 17.373 13.221 2.336 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.455 11.989 4.359 1.00 0.00 H new ATOM 0 HB3 CYS A 35 15.968 11.557 3.537 1.00 0.00 H new ATOM 0 HG CYS A 35 16.635 9.008 2.932 1.00 0.00 H new ATOM 537 N GLY A 36 19.866 12.029 3.021 1.00 0.00 N ATOM 538 CA GLY A 36 21.258 11.655 2.966 1.00 0.00 C ATOM 539 C GLY A 36 21.716 11.178 4.314 1.00 0.00 C ATOM 540 O GLY A 36 21.140 11.539 5.344 1.00 0.00 O ATOM 0 H GLY A 36 19.560 12.350 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.403 10.869 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.860 12.507 2.649 1.00 0.00 H new ATOM 544 N LEU A 37 22.784 10.381 4.268 1.00 0.00 N ATOM 545 CA LEU A 37 23.571 9.946 5.404 1.00 0.00 C ATOM 546 C LEU A 37 23.877 11.153 6.305 1.00 0.00 C ATOM 547 O LEU A 37 23.870 11.062 7.531 1.00 0.00 O ATOM 548 CB LEU A 37 24.820 9.313 4.783 1.00 0.00 C ATOM 549 CG LEU A 37 25.879 8.927 5.807 1.00 0.00 C ATOM 550 CD1 LEU A 37 25.354 7.864 6.778 1.00 0.00 C ATOM 551 CD2 LEU A 37 27.102 8.406 5.051 1.00 0.00 C ATOM 0 H LEU A 37 23.135 10.006 3.387 1.00 0.00 H new ATOM 0 HA LEU A 37 23.067 9.227 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 37 24.527 8.425 4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 37 25.255 10.012 4.068 1.00 0.00 H new ATOM 0 HG LEU A 37 26.145 9.800 6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 37 26.134 7.610 7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 37 24.485 8.253 7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 37 25.069 6.971 6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 37 27.877 8.122 5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 37 26.819 7.537 4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 37 27.483 9.187 4.393 1.00 0.00 H new ATOM 563 N GLU A 38 24.107 12.288 5.653 1.00 0.00 N ATOM 564 CA GLU A 38 24.187 13.631 6.178 1.00 0.00 C ATOM 565 C GLU A 38 23.627 14.465 5.021 1.00 0.00 C ATOM 566 O GLU A 38 23.789 14.086 3.852 1.00 0.00 O ATOM 567 CB GLU A 38 25.632 14.007 6.524 1.00 0.00 C ATOM 568 CG GLU A 38 25.728 15.363 7.235 1.00 0.00 C ATOM 569 CD GLU A 38 27.173 15.668 7.671 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.944 16.257 6.880 1.00 0.00 O ATOM 571 OE2 GLU A 38 27.551 15.341 8.820 1.00 0.00 O ATOM 0 H GLU A 38 24.256 12.280 4.644 1.00 0.00 H new ATOM 0 HA GLU A 38 23.642 13.778 7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.063 13.234 7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.226 14.036 5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.373 16.150 6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 38 25.075 15.365 8.108 1.00 0.00 H new ATOM 578 N SER A 39 22.968 15.577 5.332 1.00 0.00 N ATOM 579 CA SER A 39 22.265 16.368 4.324 1.00 0.00 C ATOM 580 C SER A 39 22.716 17.828 4.315 1.00 0.00 C ATOM 581 O SER A 39 22.980 18.422 5.364 1.00 0.00 O ATOM 582 CB SER A 39 20.754 16.237 4.498 1.00 0.00 C ATOM 583 OG SER A 39 20.399 14.897 4.221 1.00 0.00 O ATOM 0 H SER A 39 22.905 15.953 6.278 1.00 0.00 H new ATOM 0 HA SER A 39 22.527 15.965 3.346 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.462 16.507 5.513 1.00 0.00 H new ATOM 0 HB3 SER A 39 20.232 16.917 3.825 1.00 0.00 H new ATOM 0 HG SER A 39 19.473 14.863 3.901 1.00 0.00 H new ATOM 589 N SER A 40 22.755 18.395 3.110 1.00 0.00 N ATOM 590 CA SER A 40 23.017 19.795 2.798 1.00 0.00 C ATOM 591 C SER A 40 22.026 20.219 1.704 1.00 0.00 C ATOM 592 O SER A 40 21.425 19.352 1.061 1.00 0.00 O ATOM 593 CB SER A 40 24.470 19.950 2.320 1.00 0.00 C ATOM 594 OG SER A 40 25.394 19.527 3.311 1.00 0.00 O ATOM 0 H SER A 40 22.592 17.846 2.266 1.00 0.00 H new ATOM 0 HA SER A 40 22.887 20.428 3.676 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.619 19.367 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.661 20.993 2.065 1.00 0.00 H new ATOM 0 HG SER A 40 26.308 19.637 2.975 1.00 0.00 H new ATOM 600 N ARG A 41 21.868 21.534 1.484 1.00 0.00 N ATOM 601 CA ARG A 41 20.829 22.129 0.640 1.00 0.00 C ATOM 602 C ARG A 41 20.669 21.426 -0.701 1.00 0.00 C ATOM 603 O ARG A 41 21.665 20.986 -1.275 1.00 0.00 O ATOM 604 CB ARG A 41 21.043 23.651 0.493 1.00 0.00 C ATOM 605 CG ARG A 41 22.111 24.165 -0.497 1.00 0.00 C ATOM 606 CD ARG A 41 23.579 23.830 -0.189 1.00 0.00 C ATOM 607 NE ARG A 41 23.955 22.492 -0.682 1.00 0.00 N ATOM 608 CZ ARG A 41 25.046 22.162 -1.385 1.00 0.00 C ATOM 609 NH1 ARG A 41 25.954 23.051 -1.769 1.00 0.00 N ATOM 610 NH2 ARG A 41 25.245 20.905 -1.740 1.00 0.00 N ATOM 0 H ARG A 41 22.482 22.232 1.904 1.00 0.00 H new ATOM 0 HA ARG A 41 19.878 21.978 1.152 1.00 0.00 H new ATOM 0 HB2 ARG A 41 20.088 24.091 0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.291 24.045 1.479 1.00 0.00 H new ATOM 0 HG2 ARG A 41 21.875 23.768 -1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 41 22.019 25.249 -0.559 1.00 0.00 H new ATOM 0 HD2 ARG A 41 24.225 24.580 -0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 41 23.744 23.880 0.887 1.00 0.00 H new ATOM 0 HE ARG A 41 23.311 21.732 -0.463 1.00 0.00 H new ATOM 0 HH11 ARG A 41 25.837 24.036 -1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 41 26.769 22.750 -2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.568 20.188 -1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.075 20.652 -2.275 1.00 0.00 H new ATOM 624 N VAL A 42 19.445 21.354 -1.221 1.00 0.00 N ATOM 625 CA VAL A 42 19.248 20.901 -2.593 1.00 0.00 C ATOM 626 C VAL A 42 19.993 21.885 -3.505 1.00 0.00 C ATOM 627 O VAL A 42 19.913 23.104 -3.328 1.00 0.00 O ATOM 628 CB VAL A 42 17.756 20.700 -2.931 1.00 0.00 C ATOM 629 CG1 VAL A 42 16.870 21.914 -2.626 1.00 0.00 C ATOM 630 CG2 VAL A 42 17.584 20.267 -4.396 1.00 0.00 C ATOM 0 H VAL A 42 18.590 21.599 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 42 19.667 19.907 -2.747 1.00 0.00 H new ATOM 0 HB VAL A 42 17.412 19.906 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.838 21.687 -2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 42 16.927 22.148 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.215 22.771 -3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.525 20.131 -4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.993 21.035 -5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.112 19.328 -4.562 1.00 0.00 H new ATOM 640 N HIS A 43 20.774 21.339 -4.433 1.00 0.00 N ATOM 641 CA HIS A 43 21.669 22.122 -5.273 1.00 0.00 C ATOM 642 C HIS A 43 20.858 22.832 -6.376 1.00 0.00 C ATOM 643 O HIS A 43 19.874 22.261 -6.846 1.00 0.00 O ATOM 644 CB HIS A 43 22.736 21.166 -5.810 1.00 0.00 C ATOM 645 CG HIS A 43 23.999 21.860 -6.235 1.00 0.00 C ATOM 646 ND1 HIS A 43 24.363 22.168 -7.521 1.00 0.00 N ATOM 647 CD2 HIS A 43 24.977 22.350 -5.411 1.00 0.00 C ATOM 648 CE1 HIS A 43 25.534 22.824 -7.477 1.00 0.00 C ATOM 649 NE2 HIS A 43 25.953 22.960 -6.208 1.00 0.00 N ATOM 0 H HIS A 43 20.802 20.337 -4.623 1.00 0.00 H new ATOM 0 HA HIS A 43 22.170 22.916 -4.720 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.975 20.431 -5.041 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.328 20.618 -6.659 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.993 22.278 -4.333 1.00 0.00 H new ATOM 0 HE1 HIS A 43 26.065 23.191 -8.342 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.808 23.415 -5.890 1.00 0.00 H new ATOM 657 N PRO A 44 21.217 24.051 -6.825 1.00 0.00 N ATOM 658 CA PRO A 44 20.345 24.825 -7.704 1.00 0.00 C ATOM 659 C PRO A 44 20.339 24.295 -9.138 1.00 0.00 C ATOM 660 O PRO A 44 19.282 24.179 -9.743 1.00 0.00 O ATOM 661 CB PRO A 44 20.848 26.269 -7.614 1.00 0.00 C ATOM 662 CG PRO A 44 22.329 26.119 -7.267 1.00 0.00 C ATOM 663 CD PRO A 44 22.382 24.835 -6.438 1.00 0.00 C ATOM 0 HA PRO A 44 19.304 24.750 -7.391 1.00 0.00 H new ATOM 0 HB2 PRO A 44 20.710 26.800 -8.556 1.00 0.00 H new ATOM 0 HB3 PRO A 44 20.313 26.832 -6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 44 22.944 26.042 -8.164 1.00 0.00 H new ATOM 0 HG3 PRO A 44 22.696 26.976 -6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 44 23.303 24.285 -6.632 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.363 25.059 -5.372 1.00 0.00 H new ATOM 671 N THR A 45 21.474 23.893 -9.699 1.00 0.00 N ATOM 672 CA THR A 45 21.516 23.389 -11.072 1.00 0.00 C ATOM 673 C THR A 45 20.746 22.056 -11.220 1.00 0.00 C ATOM 674 O THR A 45 20.333 21.686 -12.321 1.00 0.00 O ATOM 675 CB THR A 45 23.000 23.284 -11.451 1.00 0.00 C ATOM 676 OG1 THR A 45 23.653 24.510 -11.160 1.00 0.00 O ATOM 677 CG2 THR A 45 23.267 22.902 -12.905 1.00 0.00 C ATOM 0 H THR A 45 22.378 23.905 -9.227 1.00 0.00 H new ATOM 0 HA THR A 45 21.008 24.065 -11.760 1.00 0.00 H new ATOM 0 HB THR A 45 23.398 22.466 -10.851 1.00 0.00 H new ATOM 0 HG1 THR A 45 24.600 24.441 -11.401 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.342 22.853 -13.077 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.821 21.929 -13.113 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.828 23.651 -13.564 1.00 0.00 H new ATOM 685 N ALA A 46 20.465 21.371 -10.105 1.00 0.00 N ATOM 686 CA ALA A 46 19.580 20.214 -10.061 1.00 0.00 C ATOM 687 C ALA A 46 18.201 20.565 -10.608 1.00 0.00 C ATOM 688 O ALA A 46 17.596 19.776 -11.333 1.00 0.00 O ATOM 689 CB ALA A 46 19.403 19.806 -8.602 1.00 0.00 C ATOM 0 H ALA A 46 20.856 21.614 -9.195 1.00 0.00 H new ATOM 0 HA ALA A 46 20.016 19.415 -10.660 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.743 18.940 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.373 19.552 -8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.966 20.634 -8.043 1.00 0.00 H new ATOM 695 N ILE A 47 17.710 21.759 -10.255 1.00 0.00 N ATOM 696 CA ILE A 47 16.438 22.273 -10.686 1.00 0.00 C ATOM 697 C ILE A 47 16.446 22.228 -12.205 1.00 0.00 C ATOM 698 O ILE A 47 15.559 21.617 -12.789 1.00 0.00 O ATOM 699 CB ILE A 47 16.273 23.713 -10.148 1.00 0.00 C ATOM 700 CG1 ILE A 47 16.432 23.829 -8.610 1.00 0.00 C ATOM 701 CG2 ILE A 47 14.922 24.272 -10.593 1.00 0.00 C ATOM 702 CD1 ILE A 47 16.697 25.268 -8.142 1.00 0.00 C ATOM 0 H ILE A 47 18.214 22.400 -9.643 1.00 0.00 H new ATOM 0 HA ILE A 47 15.598 21.689 -10.309 1.00 0.00 H new ATOM 0 HB ILE A 47 17.085 24.304 -10.572 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.528 23.456 -8.128 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.253 23.190 -8.286 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.806 25.287 -10.214 1.00 0.00 H new ATOM 0 HG22 ILE A 47 14.874 24.284 -11.682 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.122 23.644 -10.201 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.799 25.285 -7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 47 17.616 25.636 -8.599 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.864 25.906 -8.438 1.00 0.00 H new ATOM 714 N ALA A 48 17.484 22.801 -12.823 1.00 0.00 N ATOM 715 CA ALA A 48 17.561 22.956 -14.261 1.00 0.00 C ATOM 716 C ALA A 48 17.490 21.614 -14.983 1.00 0.00 C ATOM 717 O ALA A 48 16.820 21.516 -16.004 1.00 0.00 O ATOM 718 CB ALA A 48 18.827 23.723 -14.643 1.00 0.00 C ATOM 0 H ALA A 48 18.295 23.170 -12.327 1.00 0.00 H new ATOM 0 HA ALA A 48 16.694 23.533 -14.582 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.873 23.833 -15.726 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.809 24.709 -14.179 1.00 0.00 H new ATOM 0 HB3 ALA A 48 19.703 23.175 -14.296 1.00 0.00 H new ATOM 724 N MET A 49 18.129 20.576 -14.439 1.00 0.00 N ATOM 725 CA MET A 49 18.091 19.229 -15.009 1.00 0.00 C ATOM 726 C MET A 49 16.665 18.691 -15.091 1.00 0.00 C ATOM 727 O MET A 49 16.207 18.178 -16.122 1.00 0.00 O ATOM 728 CB MET A 49 18.932 18.282 -14.142 1.00 0.00 C ATOM 729 CG MET A 49 20.415 18.441 -14.414 1.00 0.00 C ATOM 730 SD MET A 49 20.850 18.093 -16.144 1.00 0.00 S ATOM 731 CE MET A 49 21.689 19.626 -16.653 1.00 0.00 C ATOM 0 H MET A 49 18.688 20.647 -13.589 1.00 0.00 H new ATOM 0 HA MET A 49 18.495 19.284 -16.020 1.00 0.00 H new ATOM 0 HB2 MET A 49 18.732 18.479 -13.089 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.635 17.251 -14.336 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.719 19.457 -14.164 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.974 17.771 -13.761 1.00 0.00 H new ATOM 0 HE1 MET A 49 21.490 19.817 -17.708 1.00 0.00 H new ATOM 0 HE2 MET A 49 21.317 20.459 -16.057 1.00 0.00 H new ATOM 0 HE3 MET A 49 22.763 19.521 -16.499 1.00 0.00 H new ATOM 741 N MET A 50 15.963 18.794 -13.974 1.00 0.00 N ATOM 742 CA MET A 50 14.601 18.319 -13.870 1.00 0.00 C ATOM 743 C MET A 50 13.706 19.175 -14.749 1.00 0.00 C ATOM 744 O MET A 50 12.828 18.640 -15.421 1.00 0.00 O ATOM 745 CB MET A 50 14.187 18.331 -12.401 1.00 0.00 C ATOM 746 CG MET A 50 15.068 17.329 -11.638 1.00 0.00 C ATOM 747 SD MET A 50 14.187 16.410 -10.354 1.00 0.00 S ATOM 748 CE MET A 50 13.028 15.481 -11.369 1.00 0.00 C ATOM 0 H MET A 50 16.325 19.210 -13.116 1.00 0.00 H new ATOM 0 HA MET A 50 14.508 17.293 -14.226 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.302 19.331 -11.983 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.135 18.063 -12.302 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.496 16.622 -12.348 1.00 0.00 H new ATOM 0 HG3 MET A 50 15.900 17.865 -11.181 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.014 15.641 -11.003 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.098 15.819 -12.403 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.269 14.419 -11.317 1.00 0.00 H new ATOM 758 N GLU A 51 13.988 20.471 -14.835 1.00 0.00 N ATOM 759 CA GLU A 51 13.310 21.394 -15.711 1.00 0.00 C ATOM 760 C GLU A 51 13.497 21.005 -17.182 1.00 0.00 C ATOM 761 O GLU A 51 12.578 21.202 -17.975 1.00 0.00 O ATOM 762 CB GLU A 51 13.838 22.797 -15.375 1.00 0.00 C ATOM 763 CG GLU A 51 12.740 23.858 -15.379 1.00 0.00 C ATOM 764 CD GLU A 51 12.148 24.154 -16.769 1.00 0.00 C ATOM 765 OE1 GLU A 51 12.881 24.643 -17.659 1.00 0.00 O ATOM 766 OE2 GLU A 51 10.924 23.970 -16.960 1.00 0.00 O ATOM 0 H GLU A 51 14.718 20.912 -14.276 1.00 0.00 H new ATOM 0 HA GLU A 51 12.231 21.372 -15.557 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.314 22.776 -14.394 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.607 23.073 -16.096 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.937 23.535 -14.717 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.143 24.782 -14.965 1.00 0.00 H new ATOM 773 N GLU A 52 14.623 20.376 -17.546 1.00 0.00 N ATOM 774 CA GLU A 52 14.813 19.833 -18.888 1.00 0.00 C ATOM 775 C GLU A 52 13.811 18.715 -19.154 1.00 0.00 C ATOM 776 O GLU A 52 13.258 18.622 -20.252 1.00 0.00 O ATOM 777 CB GLU A 52 16.216 19.259 -19.137 1.00 0.00 C ATOM 778 CG GLU A 52 17.378 20.207 -18.818 1.00 0.00 C ATOM 779 CD GLU A 52 18.575 19.991 -19.757 1.00 0.00 C ATOM 780 OE1 GLU A 52 19.356 19.029 -19.565 1.00 0.00 O ATOM 781 OE2 GLU A 52 18.751 20.793 -20.700 1.00 0.00 O ATOM 0 H GLU A 52 15.417 20.233 -16.922 1.00 0.00 H new ATOM 0 HA GLU A 52 14.668 20.680 -19.559 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.332 18.355 -18.539 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.288 18.961 -20.183 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.036 21.239 -18.899 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.695 20.056 -17.786 1.00 0.00 H new ATOM 788 N VAL A 53 13.578 17.867 -18.148 1.00 0.00 N ATOM 789 CA VAL A 53 12.620 16.764 -18.284 1.00 0.00 C ATOM 790 C VAL A 53 11.173 17.294 -18.217 1.00 0.00 C ATOM 791 O VAL A 53 10.252 16.643 -18.715 1.00 0.00 O ATOM 792 CB VAL A 53 12.933 15.660 -17.251 1.00 0.00 C ATOM 793 CG1 VAL A 53 12.040 14.417 -17.395 1.00 0.00 C ATOM 794 CG2 VAL A 53 14.387 15.183 -17.416 1.00 0.00 C ATOM 0 H VAL A 53 14.035 17.921 -17.238 1.00 0.00 H new ATOM 0 HA VAL A 53 12.721 16.300 -19.265 1.00 0.00 H new ATOM 0 HB VAL A 53 12.752 16.112 -16.276 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.314 13.682 -16.638 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.996 14.702 -17.263 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.175 13.985 -18.386 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.600 14.404 -16.684 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.527 14.784 -18.421 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.065 16.022 -17.261 1.00 0.00 H new ATOM 804 N GLY A 54 10.964 18.490 -17.658 1.00 0.00 N ATOM 805 CA GLY A 54 9.655 19.111 -17.491 1.00 0.00 C ATOM 806 C GLY A 54 9.118 18.905 -16.073 1.00 0.00 C ATOM 807 O GLY A 54 7.902 18.893 -15.874 1.00 0.00 O ATOM 0 H GLY A 54 11.726 19.066 -17.300 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.727 20.178 -17.704 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.955 18.689 -18.212 1.00 0.00 H new ATOM 811 N ILE A 55 10.012 18.710 -15.100 1.00 0.00 N ATOM 812 CA ILE A 55 9.700 18.525 -13.683 1.00 0.00 C ATOM 813 C ILE A 55 10.442 19.648 -12.928 1.00 0.00 C ATOM 814 O ILE A 55 11.083 20.501 -13.544 1.00 0.00 O ATOM 815 CB ILE A 55 10.078 17.078 -13.260 1.00 0.00 C ATOM 816 CG1 ILE A 55 9.437 15.996 -14.171 1.00 0.00 C ATOM 817 CG2 ILE A 55 9.674 16.739 -11.807 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.319 14.752 -14.241 1.00 0.00 C ATOM 0 H ILE A 55 11.014 18.676 -15.287 1.00 0.00 H new ATOM 0 HA ILE A 55 8.639 18.612 -13.448 1.00 0.00 H new ATOM 0 HB ILE A 55 11.164 17.060 -13.356 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.453 15.728 -13.787 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.289 16.399 -15.173 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.967 15.715 -11.577 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.175 17.422 -11.121 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.594 16.841 -11.696 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.849 14.009 -14.885 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.294 15.020 -14.648 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.444 14.338 -13.240 1.00 0.00 H new ATOM 830 N ASP A 56 10.357 19.696 -11.602 1.00 0.00 N ATOM 831 CA ASP A 56 11.004 20.710 -10.778 1.00 0.00 C ATOM 832 C ASP A 56 11.425 20.097 -9.443 1.00 0.00 C ATOM 833 O ASP A 56 10.776 19.166 -8.959 1.00 0.00 O ATOM 834 CB ASP A 56 10.020 21.862 -10.522 1.00 0.00 C ATOM 835 CG ASP A 56 10.557 22.789 -9.429 1.00 0.00 C ATOM 836 OD1 ASP A 56 11.658 23.350 -9.620 1.00 0.00 O ATOM 837 OD2 ASP A 56 9.940 22.883 -8.346 1.00 0.00 O ATOM 0 H ASP A 56 9.825 19.016 -11.059 1.00 0.00 H new ATOM 0 HA ASP A 56 11.885 21.088 -11.296 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.863 22.426 -11.441 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.051 21.462 -10.224 1.00 0.00 H new ATOM 842 N ILE A 57 12.484 20.651 -8.846 1.00 0.00 N ATOM 843 CA ILE A 57 12.903 20.364 -7.479 1.00 0.00 C ATOM 844 C ILE A 57 13.207 21.638 -6.667 1.00 0.00 C ATOM 845 O ILE A 57 13.424 21.540 -5.462 1.00 0.00 O ATOM 846 CB ILE A 57 14.036 19.309 -7.411 1.00 0.00 C ATOM 847 CG1 ILE A 57 15.029 19.295 -8.586 1.00 0.00 C ATOM 848 CG2 ILE A 57 13.413 17.916 -7.209 1.00 0.00 C ATOM 849 CD1 ILE A 57 16.258 18.437 -8.292 1.00 0.00 C ATOM 0 H ILE A 57 13.086 21.328 -9.315 1.00 0.00 H new ATOM 0 HA ILE A 57 12.045 19.905 -6.988 1.00 0.00 H new ATOM 0 HB ILE A 57 14.652 19.602 -6.561 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.529 18.917 -9.478 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.344 20.315 -8.805 1.00 0.00 H new ATOM 0 HG21 ILE A 57 14.204 17.167 -7.160 1.00 0.00 H new ATOM 0 HG22 ILE A 57 12.843 17.903 -6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 57 12.750 17.689 -8.044 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.930 18.458 -9.150 1.00 0.00 H new ATOM 0 HD12 ILE A 57 16.775 18.830 -7.417 1.00 0.00 H new ATOM 0 HD13 ILE A 57 15.947 17.410 -8.099 1.00 0.00 H new ATOM 861 N SER A 58 13.152 22.839 -7.254 1.00 0.00 N ATOM 862 CA SER A 58 13.211 24.091 -6.493 1.00 0.00 C ATOM 863 C SER A 58 12.117 24.165 -5.411 1.00 0.00 C ATOM 864 O SER A 58 12.325 24.783 -4.363 1.00 0.00 O ATOM 865 CB SER A 58 13.125 25.303 -7.434 1.00 0.00 C ATOM 866 OG SER A 58 11.893 25.409 -8.114 1.00 0.00 O ATOM 0 H SER A 58 13.066 22.970 -8.262 1.00 0.00 H new ATOM 0 HA SER A 58 14.173 24.111 -5.981 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.290 26.212 -6.856 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.930 25.240 -8.167 1.00 0.00 H new ATOM 0 HG SER A 58 11.914 24.849 -8.918 1.00 0.00 H new ATOM 872 N GLY A 59 10.959 23.533 -5.649 1.00 0.00 N ATOM 873 CA GLY A 59 9.801 23.575 -4.766 1.00 0.00 C ATOM 874 C GLY A 59 9.915 22.662 -3.542 1.00 0.00 C ATOM 875 O GLY A 59 9.052 22.737 -2.664 1.00 0.00 O ATOM 0 H GLY A 59 10.805 22.967 -6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.652 24.601 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.914 23.294 -5.334 1.00 0.00 H new ATOM 879 N GLN A 60 10.948 21.816 -3.456 1.00 0.00 N ATOM 880 CA GLN A 60 11.194 20.896 -2.360 1.00 0.00 C ATOM 881 C GLN A 60 12.547 21.173 -1.699 1.00 0.00 C ATOM 882 O GLN A 60 13.314 22.024 -2.157 1.00 0.00 O ATOM 883 CB GLN A 60 10.985 19.450 -2.842 1.00 0.00 C ATOM 884 CG GLN A 60 11.816 18.935 -4.028 1.00 0.00 C ATOM 885 CD GLN A 60 13.198 18.380 -3.670 1.00 0.00 C ATOM 886 OE1 GLN A 60 14.127 19.106 -3.328 1.00 0.00 O ATOM 887 NE2 GLN A 60 13.377 17.072 -3.767 1.00 0.00 N ATOM 0 H GLN A 60 11.661 21.758 -4.183 1.00 0.00 H new ATOM 0 HA GLN A 60 10.469 21.053 -1.562 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.174 18.790 -1.996 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.933 19.339 -3.104 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.249 18.154 -4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.944 19.749 -4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.603 16.471 -4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.289 16.665 -3.557 1.00 0.00 H new ATOM 896 N THR A 61 12.807 20.492 -0.584 1.00 0.00 N ATOM 897 CA THR A 61 13.931 20.760 0.298 1.00 0.00 C ATOM 898 C THR A 61 14.710 19.481 0.599 1.00 0.00 C ATOM 899 O THR A 61 14.195 18.363 0.485 1.00 0.00 O ATOM 900 CB THR A 61 13.399 21.421 1.586 1.00 0.00 C ATOM 901 OG1 THR A 61 12.266 20.738 2.106 1.00 0.00 O ATOM 902 CG2 THR A 61 12.957 22.852 1.284 1.00 0.00 C ATOM 0 H THR A 61 12.223 19.719 -0.265 1.00 0.00 H new ATOM 0 HA THR A 61 14.629 21.440 -0.190 1.00 0.00 H new ATOM 0 HB THR A 61 14.209 21.391 2.315 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.960 21.186 2.922 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.582 23.317 2.196 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.806 23.423 0.908 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.168 22.838 0.532 1.00 0.00 H new ATOM 910 N SER A 62 15.968 19.665 0.985 1.00 0.00 N ATOM 911 CA SER A 62 16.830 18.625 1.519 1.00 0.00 C ATOM 912 C SER A 62 16.323 18.178 2.900 1.00 0.00 C ATOM 913 O SER A 62 15.639 18.946 3.587 1.00 0.00 O ATOM 914 CB SER A 62 18.251 19.203 1.573 1.00 0.00 C ATOM 915 OG SER A 62 18.240 20.544 2.051 1.00 0.00 O ATOM 0 H SER A 62 16.428 20.574 0.932 1.00 0.00 H new ATOM 0 HA SER A 62 16.827 17.734 0.891 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.873 18.587 2.222 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.698 19.171 0.579 1.00 0.00 H new ATOM 0 HG SER A 62 19.018 20.692 2.629 1.00 0.00 H new ATOM 921 N ASP A 63 16.665 16.958 3.329 1.00 0.00 N ATOM 922 CA ASP A 63 16.243 16.422 4.630 1.00 0.00 C ATOM 923 C ASP A 63 17.219 15.332 5.091 1.00 0.00 C ATOM 924 O ASP A 63 17.744 14.618 4.231 1.00 0.00 O ATOM 925 CB ASP A 63 14.817 15.852 4.511 1.00 0.00 C ATOM 926 CG ASP A 63 14.043 15.992 5.828 1.00 0.00 C ATOM 927 OD1 ASP A 63 13.758 17.135 6.251 1.00 0.00 O ATOM 928 OD2 ASP A 63 13.681 14.960 6.426 1.00 0.00 O ATOM 0 H ASP A 63 17.241 16.315 2.786 1.00 0.00 H new ATOM 0 HA ASP A 63 16.246 17.222 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.282 16.372 3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.867 14.801 4.227 1.00 0.00 H new ATOM 933 N PRO A 64 17.540 15.194 6.391 1.00 0.00 N ATOM 934 CA PRO A 64 18.489 14.188 6.872 1.00 0.00 C ATOM 935 C PRO A 64 17.818 12.815 7.016 1.00 0.00 C ATOM 936 O PRO A 64 16.635 12.720 7.350 1.00 0.00 O ATOM 937 CB PRO A 64 18.965 14.722 8.225 1.00 0.00 C ATOM 938 CG PRO A 64 17.747 15.473 8.759 1.00 0.00 C ATOM 939 CD PRO A 64 17.094 16.036 7.495 1.00 0.00 C ATOM 0 HA PRO A 64 19.316 14.037 6.178 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.263 13.914 8.893 1.00 0.00 H new ATOM 0 HB3 PRO A 64 19.827 15.380 8.116 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.071 14.810 9.299 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.035 16.266 9.450 1.00 0.00 H new ATOM 0 HD2 PRO A 64 16.007 16.022 7.580 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.388 17.073 7.335 1.00 0.00 H new ATOM 947 N ILE A 65 18.597 11.740 6.844 1.00 0.00 N ATOM 948 CA ILE A 65 18.138 10.367 7.082 1.00 0.00 C ATOM 949 C ILE A 65 17.581 10.202 8.503 1.00 0.00 C ATOM 950 O ILE A 65 16.625 9.460 8.729 1.00 0.00 O ATOM 951 CB ILE A 65 19.275 9.377 6.773 1.00 0.00 C ATOM 952 CG1 ILE A 65 18.707 7.950 6.718 1.00 0.00 C ATOM 953 CG2 ILE A 65 20.473 9.480 7.741 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.700 6.982 6.085 1.00 0.00 C ATOM 0 H ILE A 65 19.567 11.799 6.535 1.00 0.00 H new ATOM 0 HA ILE A 65 17.312 10.145 6.407 1.00 0.00 H new ATOM 0 HB ILE A 65 19.684 9.646 5.799 1.00 0.00 H new ATOM 0 HG12 ILE A 65 18.462 7.615 7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.779 7.948 6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.233 8.751 7.459 1.00 0.00 H new ATOM 0 HG22 ILE A 65 20.896 10.483 7.691 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.137 9.278 8.758 1.00 0.00 H new ATOM 0 HD11 ILE A 65 19.268 5.982 6.061 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.925 7.305 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 65 20.618 6.967 6.672 1.00 0.00 H new ATOM 966 N GLU A 66 18.165 10.945 9.448 1.00 0.00 N ATOM 967 CA GLU A 66 17.875 10.918 10.875 1.00 0.00 C ATOM 968 C GLU A 66 16.395 11.203 11.178 1.00 0.00 C ATOM 969 O GLU A 66 15.899 10.836 12.245 1.00 0.00 O ATOM 970 CB GLU A 66 18.766 11.957 11.587 1.00 0.00 C ATOM 971 CG GLU A 66 20.259 11.898 11.204 1.00 0.00 C ATOM 972 CD GLU A 66 21.118 12.739 12.167 1.00 0.00 C ATOM 973 OE1 GLU A 66 21.270 13.962 11.949 1.00 0.00 O ATOM 974 OE2 GLU A 66 21.664 12.182 13.147 1.00 0.00 O ATOM 0 H GLU A 66 18.895 11.619 9.218 1.00 0.00 H new ATOM 0 HA GLU A 66 18.088 9.914 11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.387 12.954 11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.676 11.816 12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.600 10.863 11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.390 12.262 10.185 1.00 0.00 H new ATOM 981 N ASN A 67 15.689 11.861 10.250 1.00 0.00 N ATOM 982 CA ASN A 67 14.289 12.240 10.401 1.00 0.00 C ATOM 983 C ASN A 67 13.321 11.072 10.134 1.00 0.00 C ATOM 984 O ASN A 67 12.115 11.236 10.325 1.00 0.00 O ATOM 985 CB ASN A 67 14.008 13.425 9.464 1.00 0.00 C ATOM 986 CG ASN A 67 12.660 14.100 9.708 1.00 0.00 C ATOM 987 OD1 ASN A 67 12.148 14.163 10.824 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.084 14.673 8.668 1.00 0.00 N ATOM 0 H ASN A 67 16.089 12.148 9.357 1.00 0.00 H new ATOM 0 HA ASN A 67 14.115 12.529 11.438 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.800 14.164 9.582 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.048 13.077 8.432 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.204 15.175 8.785 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.519 14.614 7.747 1.00 0.00 H new ATOM 995 N PHE A 68 13.801 9.892 9.712 1.00 0.00 N ATOM 996 CA PHE A 68 12.964 8.760 9.337 1.00 0.00 C ATOM 997 C PHE A 68 13.381 7.479 10.067 1.00 0.00 C ATOM 998 O PHE A 68 14.368 7.440 10.805 1.00 0.00 O ATOM 999 CB PHE A 68 13.066 8.559 7.819 1.00 0.00 C ATOM 1000 CG PHE A 68 12.617 9.747 6.998 1.00 0.00 C ATOM 1001 CD1 PHE A 68 11.260 9.880 6.656 1.00 0.00 C ATOM 1002 CD2 PHE A 68 13.546 10.726 6.598 1.00 0.00 C ATOM 1003 CE1 PHE A 68 10.821 11.023 5.963 1.00 0.00 C ATOM 1004 CE2 PHE A 68 13.110 11.850 5.880 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.745 12.013 5.583 1.00 0.00 C ATOM 0 H PHE A 68 14.799 9.703 9.623 1.00 0.00 H new ATOM 0 HA PHE A 68 11.935 8.974 9.625 1.00 0.00 H new ATOM 0 HB2 PHE A 68 14.100 8.327 7.565 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.467 7.692 7.539 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.556 9.106 6.925 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.592 10.612 6.843 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.775 11.140 5.723 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.824 12.592 5.555 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.407 12.897 5.064 1.00 0.00 H new ATOM 1015 N ASN A 69 12.623 6.416 9.798 1.00 0.00 N ATOM 1016 CA ASN A 69 12.883 5.031 10.172 1.00 0.00 C ATOM 1017 C ASN A 69 12.820 4.208 8.891 1.00 0.00 C ATOM 1018 O ASN A 69 11.943 4.437 8.058 1.00 0.00 O ATOM 1019 CB ASN A 69 11.860 4.505 11.203 1.00 0.00 C ATOM 1020 CG ASN A 69 10.398 4.933 11.015 1.00 0.00 C ATOM 1021 OD1 ASN A 69 9.710 5.219 11.991 1.00 0.00 O ATOM 1022 ND2 ASN A 69 9.878 5.006 9.799 1.00 0.00 N ATOM 0 H ASN A 69 11.751 6.509 9.277 1.00 0.00 H new ATOM 0 HA ASN A 69 13.860 4.954 10.648 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.898 3.416 11.192 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.182 4.826 12.194 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.909 5.299 9.676 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.447 4.769 8.986 1.00 0.00 H new ATOM 1029 N ALA A 70 13.716 3.239 8.747 1.00 0.00 N ATOM 1030 CA ALA A 70 13.826 2.398 7.564 1.00 0.00 C ATOM 1031 C ALA A 70 12.679 1.394 7.467 1.00 0.00 C ATOM 1032 O ALA A 70 12.372 0.919 6.379 1.00 0.00 O ATOM 1033 CB ALA A 70 15.155 1.647 7.604 1.00 0.00 C ATOM 0 H ALA A 70 14.402 3.012 9.467 1.00 0.00 H new ATOM 0 HA ALA A 70 13.776 3.044 6.687 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.243 1.015 6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.977 2.363 7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.195 1.026 8.499 1.00 0.00 H new ATOM 1039 N ASP A 71 12.044 1.071 8.597 1.00 0.00 N ATOM 1040 CA ASP A 71 11.021 0.030 8.696 1.00 0.00 C ATOM 1041 C ASP A 71 9.794 0.330 7.828 1.00 0.00 C ATOM 1042 O ASP A 71 9.076 -0.587 7.428 1.00 0.00 O ATOM 1043 CB ASP A 71 10.600 -0.124 10.162 1.00 0.00 C ATOM 1044 CG ASP A 71 9.522 -1.208 10.337 1.00 0.00 C ATOM 1045 OD1 ASP A 71 9.836 -2.410 10.182 1.00 0.00 O ATOM 1046 OD2 ASP A 71 8.367 -0.869 10.681 1.00 0.00 O ATOM 0 H ASP A 71 12.231 1.536 9.485 1.00 0.00 H new ATOM 0 HA ASP A 71 11.454 -0.899 8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.472 -0.378 10.766 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.221 0.828 10.533 1.00 0.00 H new ATOM 1051 N ASP A 72 9.557 1.608 7.520 1.00 0.00 N ATOM 1052 CA ASP A 72 8.398 2.062 6.777 1.00 0.00 C ATOM 1053 C ASP A 72 8.691 2.064 5.276 1.00 0.00 C ATOM 1054 O ASP A 72 7.766 2.124 4.468 1.00 0.00 O ATOM 1055 CB ASP A 72 8.021 3.458 7.285 1.00 0.00 C ATOM 1056 CG ASP A 72 6.692 3.975 6.720 1.00 0.00 C ATOM 1057 OD1 ASP A 72 5.674 3.246 6.749 1.00 0.00 O ATOM 1058 OD2 ASP A 72 6.651 5.163 6.334 1.00 0.00 O ATOM 0 H ASP A 72 10.184 2.365 7.790 1.00 0.00 H new ATOM 0 HA ASP A 72 7.557 1.386 6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.960 3.436 8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.815 4.158 7.024 1.00 0.00 H new ATOM 1063 N TYR A 73 9.970 1.975 4.893 1.00 0.00 N ATOM 1064 CA TYR A 73 10.420 1.931 3.524 1.00 0.00 C ATOM 1065 C TYR A 73 10.410 0.493 3.016 1.00 0.00 C ATOM 1066 O TYR A 73 10.736 -0.447 3.739 1.00 0.00 O ATOM 1067 CB TYR A 73 11.786 2.618 3.401 1.00 0.00 C ATOM 1068 CG TYR A 73 11.631 4.114 3.596 1.00 0.00 C ATOM 1069 CD1 TYR A 73 11.204 4.899 2.515 1.00 0.00 C ATOM 1070 CD2 TYR A 73 11.776 4.697 4.869 1.00 0.00 C ATOM 1071 CE1 TYR A 73 10.879 6.248 2.709 1.00 0.00 C ATOM 1072 CE2 TYR A 73 11.452 6.050 5.085 1.00 0.00 C ATOM 1073 CZ TYR A 73 10.959 6.816 4.002 1.00 0.00 C ATOM 1074 OH TYR A 73 10.501 8.075 4.215 1.00 0.00 O ATOM 0 H TYR A 73 10.737 1.931 5.564 1.00 0.00 H new ATOM 0 HA TYR A 73 9.736 2.487 2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.474 2.215 4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.219 2.413 2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 73 11.125 4.462 1.530 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.141 4.099 5.691 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.567 6.854 1.871 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.578 6.496 6.061 1.00 0.00 H new ATOM 0 HH TYR A 73 10.884 8.426 5.046 1.00 0.00 H new ATOM 1084 N ASP A 74 10.020 0.327 1.756 1.00 0.00 N ATOM 1085 CA ASP A 74 10.061 -0.944 1.049 1.00 0.00 C ATOM 1086 C ASP A 74 11.400 -1.122 0.340 1.00 0.00 C ATOM 1087 O ASP A 74 11.924 -2.234 0.272 1.00 0.00 O ATOM 1088 CB ASP A 74 8.957 -0.996 -0.001 1.00 0.00 C ATOM 1089 CG ASP A 74 8.938 -2.372 -0.662 1.00 0.00 C ATOM 1090 OD1 ASP A 74 8.252 -3.271 -0.127 1.00 0.00 O ATOM 1091 OD2 ASP A 74 9.519 -2.535 -1.756 1.00 0.00 O ATOM 0 H ASP A 74 9.658 1.092 1.187 1.00 0.00 H new ATOM 0 HA ASP A 74 9.923 -1.738 1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.992 -0.791 0.462 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.120 -0.223 -0.752 1.00 0.00 H new ATOM 1096 N VAL A 75 11.971 -0.022 -0.160 1.00 0.00 N ATOM 1097 CA VAL A 75 13.163 -0.063 -0.993 1.00 0.00 C ATOM 1098 C VAL A 75 14.084 1.087 -0.626 1.00 0.00 C ATOM 1099 O VAL A 75 13.628 2.211 -0.410 1.00 0.00 O ATOM 1100 CB VAL A 75 12.763 -0.129 -2.485 1.00 0.00 C ATOM 1101 CG1 VAL A 75 11.555 0.687 -2.946 1.00 0.00 C ATOM 1102 CG2 VAL A 75 13.939 0.139 -3.439 1.00 0.00 C ATOM 0 H VAL A 75 11.615 0.919 0.005 1.00 0.00 H new ATOM 0 HA VAL A 75 13.739 -0.970 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 75 12.440 -1.168 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.401 0.537 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.668 0.362 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.734 1.744 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.592 0.078 -4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 75 14.342 1.134 -3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 75 14.718 -0.605 -3.274 1.00 0.00 H new ATOM 1112 N VAL A 76 15.381 0.795 -0.554 1.00 0.00 N ATOM 1113 CA VAL A 76 16.391 1.720 -0.082 1.00 0.00 C ATOM 1114 C VAL A 76 17.508 1.822 -1.117 1.00 0.00 C ATOM 1115 O VAL A 76 18.298 0.905 -1.349 1.00 0.00 O ATOM 1116 CB VAL A 76 16.877 1.309 1.316 1.00 0.00 C ATOM 1117 CG1 VAL A 76 15.911 1.844 2.378 1.00 0.00 C ATOM 1118 CG2 VAL A 76 17.048 -0.203 1.504 1.00 0.00 C ATOM 0 H VAL A 76 15.760 -0.111 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 76 15.973 2.720 0.030 1.00 0.00 H new ATOM 0 HB VAL A 76 17.869 1.747 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.260 1.550 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.868 2.931 2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.917 1.432 2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 76 17.394 -0.407 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.092 -0.700 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 76 17.780 -0.578 0.789 1.00 0.00 H new ATOM 1128 N ILE A 77 17.547 2.971 -1.771 1.00 0.00 N ATOM 1129 CA ILE A 77 18.485 3.266 -2.824 1.00 0.00 C ATOM 1130 C ILE A 77 19.528 4.187 -2.235 1.00 0.00 C ATOM 1131 O ILE A 77 19.325 5.391 -2.082 1.00 0.00 O ATOM 1132 CB ILE A 77 17.761 3.862 -4.042 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.726 2.888 -4.643 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.778 4.288 -5.108 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.273 1.498 -4.998 1.00 0.00 C ATOM 0 H ILE A 77 16.907 3.740 -1.574 1.00 0.00 H new ATOM 0 HA ILE A 77 18.975 2.367 -3.197 1.00 0.00 H new ATOM 0 HB ILE A 77 17.213 4.739 -3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.907 2.769 -3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.306 3.337 -5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.252 4.708 -5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.450 5.038 -4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.356 3.421 -5.427 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.472 0.887 -5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.071 1.598 -5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.665 1.021 -4.100 1.00 0.00 H new ATOM 1147 N SER A 78 20.634 3.600 -1.820 1.00 0.00 N ATOM 1148 CA SER A 78 21.784 4.398 -1.489 1.00 0.00 C ATOM 1149 C SER A 78 22.318 4.928 -2.820 1.00 0.00 C ATOM 1150 O SER A 78 22.072 4.395 -3.909 1.00 0.00 O ATOM 1151 CB SER A 78 22.803 3.520 -0.790 1.00 0.00 C ATOM 1152 OG SER A 78 23.962 4.216 -0.387 1.00 0.00 O ATOM 0 H SER A 78 20.754 2.593 -1.708 1.00 0.00 H new ATOM 0 HA SER A 78 21.551 5.225 -0.818 1.00 0.00 H new ATOM 0 HB2 SER A 78 22.339 3.065 0.085 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.090 2.708 -1.458 1.00 0.00 H new ATOM 0 HG SER A 78 24.651 4.133 -1.079 1.00 0.00 H new ATOM 1158 N LEU A 79 23.042 6.022 -2.721 1.00 0.00 N ATOM 1159 CA LEU A 79 23.756 6.682 -3.785 1.00 0.00 C ATOM 1160 C LEU A 79 24.816 7.500 -3.050 1.00 0.00 C ATOM 1161 O LEU A 79 24.896 8.719 -3.174 1.00 0.00 O ATOM 1162 CB LEU A 79 22.815 7.438 -4.763 1.00 0.00 C ATOM 1163 CG LEU A 79 21.327 7.663 -4.389 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.169 8.948 -3.595 1.00 0.00 C ATOM 1165 CD2 LEU A 79 20.457 7.771 -5.647 1.00 0.00 C ATOM 0 H LEU A 79 23.153 6.505 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 79 24.242 6.008 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.256 8.418 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 79 22.833 6.900 -5.711 1.00 0.00 H new ATOM 0 HG LEU A 79 21.008 6.809 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.119 9.092 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.759 8.886 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.516 9.790 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.418 7.929 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.797 8.611 -6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.537 6.850 -6.225 1.00 0.00 H new ATOM 1177 N CYS A 80 25.575 6.830 -2.177 1.00 0.00 N ATOM 1178 CA CYS A 80 26.683 7.413 -1.431 1.00 0.00 C ATOM 1179 C CYS A 80 27.908 7.553 -2.332 1.00 0.00 C ATOM 1180 O CYS A 80 28.618 8.553 -2.217 1.00 0.00 O ATOM 1181 CB CYS A 80 26.994 6.547 -0.206 1.00 0.00 C ATOM 1182 SG CYS A 80 25.634 6.668 0.992 1.00 0.00 S ATOM 0 H CYS A 80 25.428 5.843 -1.968 1.00 0.00 H new ATOM 0 HA CYS A 80 26.404 8.409 -1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 80 27.133 5.509 -0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 80 27.927 6.873 0.254 1.00 0.00 H new ATOM 0 HG CYS A 80 24.741 5.761 0.728 1.00 0.00 H new ATOM 1188 N GLY A 81 28.119 6.621 -3.262 1.00 0.00 N ATOM 1189 CA GLY A 81 29.289 6.606 -4.129 1.00 0.00 C ATOM 1190 C GLY A 81 30.302 5.600 -3.597 1.00 0.00 C ATOM 1191 O GLY A 81 30.142 5.086 -2.491 1.00 0.00 O ATOM 0 H GLY A 81 27.474 5.850 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.998 6.342 -5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.735 7.599 -4.173 1.00 0.00 H new ATOM 1195 N CYS A 82 31.338 5.311 -4.390 1.00 0.00 N ATOM 1196 CA CYS A 82 32.388 4.321 -4.155 1.00 0.00 C ATOM 1197 C CYS A 82 31.921 3.009 -3.494 1.00 0.00 C ATOM 1198 O CYS A 82 32.664 2.386 -2.732 1.00 0.00 O ATOM 1199 CB CYS A 82 33.519 5.032 -3.411 1.00 0.00 C ATOM 1200 SG CYS A 82 34.258 6.319 -4.464 1.00 0.00 S ATOM 0 H CYS A 82 31.473 5.799 -5.276 1.00 0.00 H new ATOM 0 HA CYS A 82 32.746 3.951 -5.116 1.00 0.00 H new ATOM 0 HB2 CYS A 82 33.135 5.479 -2.494 1.00 0.00 H new ATOM 0 HB3 CYS A 82 34.281 4.310 -3.119 1.00 0.00 H new ATOM 0 HG CYS A 82 35.215 6.914 -3.815 1.00 0.00 H new ATOM 1206 N GLY A 83 30.689 2.587 -3.795 1.00 0.00 N ATOM 1207 CA GLY A 83 30.056 1.394 -3.248 1.00 0.00 C ATOM 1208 C GLY A 83 29.933 1.402 -1.721 1.00 0.00 C ATOM 1209 O GLY A 83 29.896 0.335 -1.104 1.00 0.00 O ATOM 0 H GLY A 83 30.088 3.088 -4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 83 29.062 1.290 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 83 30.629 0.518 -3.552 1.00 0.00 H new ATOM 1213 N VAL A 84 29.896 2.585 -1.107 1.00 0.00 N ATOM 1214 CA VAL A 84 29.572 2.781 0.294 1.00 0.00 C ATOM 1215 C VAL A 84 28.136 2.281 0.523 1.00 0.00 C ATOM 1216 O VAL A 84 27.331 2.155 -0.405 1.00 0.00 O ATOM 1217 CB VAL A 84 29.834 4.251 0.676 1.00 0.00 C ATOM 1218 CG1 VAL A 84 29.381 4.643 2.092 1.00 0.00 C ATOM 1219 CG2 VAL A 84 31.334 4.581 0.559 1.00 0.00 C ATOM 0 H VAL A 84 30.099 3.458 -1.593 1.00 0.00 H new ATOM 0 HA VAL A 84 30.208 2.201 0.963 1.00 0.00 H new ATOM 0 HB VAL A 84 29.232 4.824 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 84 29.607 5.695 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 84 28.307 4.482 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 84 29.907 4.031 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 84 31.500 5.623 0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 84 31.902 3.935 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 84 31.663 4.419 -0.467 1.00 0.00 H new ATOM 1229 N ASN A 85 27.832 1.960 1.775 1.00 0.00 N ATOM 1230 CA ASN A 85 26.597 1.311 2.199 1.00 0.00 C ATOM 1231 C ASN A 85 26.119 1.956 3.503 1.00 0.00 C ATOM 1232 O ASN A 85 26.755 2.882 4.013 1.00 0.00 O ATOM 1233 CB ASN A 85 26.856 -0.207 2.331 1.00 0.00 C ATOM 1234 CG ASN A 85 25.615 -1.056 2.061 1.00 0.00 C ATOM 1235 OD1 ASN A 85 24.582 -0.895 2.697 1.00 0.00 O ATOM 1236 ND2 ASN A 85 25.678 -1.975 1.112 1.00 0.00 N ATOM 0 H ASN A 85 28.463 2.152 2.553 1.00 0.00 H new ATOM 0 HA ASN A 85 25.801 1.442 1.466 1.00 0.00 H new ATOM 0 HB2 ASN A 85 27.644 -0.496 1.636 1.00 0.00 H new ATOM 0 HB3 ASN A 85 27.223 -0.420 3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 85 24.863 -2.553 0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 85 26.541 -2.105 0.585 1.00 0.00 H new ATOM 1243 N LEU A 86 25.001 1.477 4.041 1.00 0.00 N ATOM 1244 CA LEU A 86 24.265 2.038 5.164 1.00 0.00 C ATOM 1245 C LEU A 86 24.253 0.950 6.242 1.00 0.00 C ATOM 1246 O LEU A 86 23.382 0.086 6.211 1.00 0.00 O ATOM 1247 CB LEU A 86 22.847 2.461 4.710 1.00 0.00 C ATOM 1248 CG LEU A 86 22.783 3.370 3.461 1.00 0.00 C ATOM 1249 CD1 LEU A 86 21.326 3.714 3.137 1.00 0.00 C ATOM 1250 CD2 LEU A 86 23.584 4.667 3.613 1.00 0.00 C ATOM 0 H LEU A 86 24.559 0.632 3.679 1.00 0.00 H new ATOM 0 HA LEU A 86 24.725 2.943 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.266 1.560 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 86 22.360 2.978 5.537 1.00 0.00 H new ATOM 0 HG LEU A 86 23.236 2.804 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 86 21.291 4.355 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.770 2.797 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.879 4.236 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 86 23.496 5.258 2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 86 23.194 5.239 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 86 24.633 4.428 3.791 1.00 0.00 H new ATOM 1262 N PRO A 87 25.225 0.939 7.174 1.00 0.00 N ATOM 1263 CA PRO A 87 25.242 0.011 8.300 1.00 0.00 C ATOM 1264 C PRO A 87 23.923 -0.148 9.087 1.00 0.00 C ATOM 1265 O PRO A 87 23.699 -1.262 9.573 1.00 0.00 O ATOM 1266 CB PRO A 87 26.371 0.489 9.219 1.00 0.00 C ATOM 1267 CG PRO A 87 27.333 1.185 8.262 1.00 0.00 C ATOM 1268 CD PRO A 87 26.403 1.796 7.217 1.00 0.00 C ATOM 0 HA PRO A 87 25.395 -0.991 7.899 1.00 0.00 H new ATOM 0 HB2 PRO A 87 26.004 1.171 9.986 1.00 0.00 H new ATOM 0 HB3 PRO A 87 26.849 -0.344 9.735 1.00 0.00 H new ATOM 0 HG2 PRO A 87 27.925 1.947 8.769 1.00 0.00 H new ATOM 0 HG3 PRO A 87 28.035 0.482 7.814 1.00 0.00 H new ATOM 0 HD2 PRO A 87 26.132 2.817 7.486 1.00 0.00 H new ATOM 0 HD3 PRO A 87 26.888 1.841 6.242 1.00 0.00 H new ATOM 1276 N PRO A 88 23.075 0.890 9.290 1.00 0.00 N ATOM 1277 CA PRO A 88 21.845 0.729 10.061 1.00 0.00 C ATOM 1278 C PRO A 88 20.790 -0.150 9.376 1.00 0.00 C ATOM 1279 O PRO A 88 20.984 -0.680 8.288 1.00 0.00 O ATOM 1280 CB PRO A 88 21.296 2.143 10.304 1.00 0.00 C ATOM 1281 CG PRO A 88 22.402 3.107 9.894 1.00 0.00 C ATOM 1282 CD PRO A 88 23.257 2.296 8.927 1.00 0.00 C ATOM 0 HA PRO A 88 22.076 0.208 10.990 1.00 0.00 H new ATOM 0 HB2 PRO A 88 20.393 2.315 9.718 1.00 0.00 H new ATOM 0 HB3 PRO A 88 21.028 2.281 11.351 1.00 0.00 H new ATOM 0 HG2 PRO A 88 21.997 4.000 9.417 1.00 0.00 H new ATOM 0 HG3 PRO A 88 22.981 3.441 10.755 1.00 0.00 H new ATOM 0 HD2 PRO A 88 22.951 2.473 7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 88 24.306 2.583 9.002 1.00 0.00 H new ATOM 1290 N GLU A 89 19.608 -0.208 9.995 1.00 0.00 N ATOM 1291 CA GLU A 89 18.363 -0.806 9.512 1.00 0.00 C ATOM 1292 C GLU A 89 18.011 -0.467 8.060 1.00 0.00 C ATOM 1293 O GLU A 89 17.288 -1.231 7.428 1.00 0.00 O ATOM 1294 CB GLU A 89 17.215 -0.386 10.447 1.00 0.00 C ATOM 1295 CG GLU A 89 17.125 1.131 10.710 1.00 0.00 C ATOM 1296 CD GLU A 89 15.892 1.508 11.551 1.00 0.00 C ATOM 1297 OE1 GLU A 89 15.830 1.141 12.748 1.00 0.00 O ATOM 1298 OE2 GLU A 89 14.994 2.205 11.028 1.00 0.00 O ATOM 0 H GLU A 89 19.489 0.196 10.924 1.00 0.00 H new ATOM 0 HA GLU A 89 18.512 -1.886 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.272 -0.724 10.018 1.00 0.00 H new ATOM 0 HB3 GLU A 89 17.334 -0.901 11.401 1.00 0.00 H new ATOM 0 HG2 GLU A 89 18.027 1.462 11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.088 1.661 9.758 1.00 0.00 H new ATOM 1305 N TRP A 90 18.561 0.619 7.519 1.00 0.00 N ATOM 1306 CA TRP A 90 18.511 1.077 6.130 1.00 0.00 C ATOM 1307 C TRP A 90 19.119 0.096 5.115 1.00 0.00 C ATOM 1308 O TRP A 90 19.321 0.456 3.954 1.00 0.00 O ATOM 1309 CB TRP A 90 19.203 2.444 6.044 1.00 0.00 C ATOM 1310 CG TRP A 90 18.518 3.526 6.812 1.00 0.00 C ATOM 1311 CD1 TRP A 90 18.952 4.105 7.950 1.00 0.00 C ATOM 1312 CD2 TRP A 90 17.264 4.192 6.489 1.00 0.00 C ATOM 1313 NE1 TRP A 90 18.016 5.004 8.406 1.00 0.00 N ATOM 1314 CE2 TRP A 90 16.944 5.104 7.538 1.00 0.00 C ATOM 1315 CE3 TRP A 90 16.371 4.108 5.403 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.769 5.873 7.516 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.198 4.879 5.365 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.893 5.750 6.424 1.00 0.00 C ATOM 0 H TRP A 90 19.104 1.261 8.096 1.00 0.00 H new ATOM 0 HA TRP A 90 17.459 1.149 5.852 1.00 0.00 H new ATOM 0 HB2 TRP A 90 20.225 2.345 6.410 1.00 0.00 H new ATOM 0 HB3 TRP A 90 19.267 2.741 4.997 1.00 0.00 H new ATOM 0 HD1 TRP A 90 19.895 3.894 8.432 1.00 0.00 H new ATOM 0 HE1 TRP A 90 18.102 5.531 9.275 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.592 3.439 4.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.542 6.549 8.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.529 4.802 4.520 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.981 6.328 6.399 1.00 0.00 H new ATOM 1329 N VAL A 91 19.429 -1.126 5.540 1.00 0.00 N ATOM 1330 CA VAL A 91 19.884 -2.210 4.681 1.00 0.00 C ATOM 1331 C VAL A 91 19.057 -3.495 4.885 1.00 0.00 C ATOM 1332 O VAL A 91 19.500 -4.578 4.501 1.00 0.00 O ATOM 1333 CB VAL A 91 21.417 -2.337 4.831 1.00 0.00 C ATOM 1334 CG1 VAL A 91 21.860 -3.056 6.118 1.00 0.00 C ATOM 1335 CG2 VAL A 91 22.090 -2.962 3.601 1.00 0.00 C ATOM 0 H VAL A 91 19.368 -1.395 6.522 1.00 0.00 H new ATOM 0 HA VAL A 91 19.700 -1.990 3.629 1.00 0.00 H new ATOM 0 HB VAL A 91 21.763 -1.306 4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 91 22.948 -3.106 6.151 1.00 0.00 H new ATOM 0 HG12 VAL A 91 21.496 -2.506 6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.450 -4.066 6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 91 23.165 -3.024 3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 91 21.690 -3.962 3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 91 21.893 -2.344 2.725 1.00 0.00 H new ATOM 1345 N THR A 92 17.854 -3.404 5.472 1.00 0.00 N ATOM 1346 CA THR A 92 17.072 -4.577 5.887 1.00 0.00 C ATOM 1347 C THR A 92 15.651 -4.624 5.295 1.00 0.00 C ATOM 1348 O THR A 92 14.780 -5.354 5.776 1.00 0.00 O ATOM 1349 CB THR A 92 17.137 -4.748 7.422 1.00 0.00 C ATOM 1350 OG1 THR A 92 16.501 -3.692 8.116 1.00 0.00 O ATOM 1351 CG2 THR A 92 18.574 -4.847 7.954 1.00 0.00 C ATOM 0 H THR A 92 17.396 -2.515 5.672 1.00 0.00 H new ATOM 0 HA THR A 92 17.540 -5.459 5.449 1.00 0.00 H new ATOM 0 HB THR A 92 16.612 -5.685 7.606 1.00 0.00 H new ATOM 0 HG1 THR A 92 16.781 -2.834 7.734 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.554 -4.966 9.037 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.070 -5.707 7.504 1.00 0.00 H new ATOM 0 HG23 THR A 92 19.120 -3.939 7.699 1.00 0.00 H new ATOM 1359 N GLN A 93 15.425 -3.859 4.228 1.00 0.00 N ATOM 1360 CA GLN A 93 14.163 -3.778 3.492 1.00 0.00 C ATOM 1361 C GLN A 93 14.202 -4.751 2.298 1.00 0.00 C ATOM 1362 O GLN A 93 15.152 -5.528 2.156 1.00 0.00 O ATOM 1363 CB GLN A 93 13.924 -2.326 3.041 1.00 0.00 C ATOM 1364 CG GLN A 93 13.706 -1.310 4.170 1.00 0.00 C ATOM 1365 CD GLN A 93 14.894 -1.148 5.107 1.00 0.00 C ATOM 1366 OE1 GLN A 93 16.007 -0.844 4.690 1.00 0.00 O ATOM 1367 NE2 GLN A 93 14.699 -1.418 6.384 1.00 0.00 N ATOM 0 H GLN A 93 16.146 -3.253 3.836 1.00 0.00 H new ATOM 0 HA GLN A 93 13.331 -4.069 4.133 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.779 -2.004 2.446 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.053 -2.306 2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.471 -0.341 3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.837 -1.614 4.754 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.768 -1.669 6.716 1.00 0.00 H new ATOM 0 HE22 GLN A 93 15.480 -1.375 7.039 1.00 0.00 H new ATOM 1376 N GLU A 94 13.171 -4.741 1.444 1.00 0.00 N ATOM 1377 CA GLU A 94 13.047 -5.697 0.346 1.00 0.00 C ATOM 1378 C GLU A 94 14.128 -5.510 -0.717 1.00 0.00 C ATOM 1379 O GLU A 94 14.591 -6.501 -1.286 1.00 0.00 O ATOM 1380 CB GLU A 94 11.657 -5.657 -0.313 1.00 0.00 C ATOM 1381 CG GLU A 94 10.542 -6.134 0.634 1.00 0.00 C ATOM 1382 CD GLU A 94 9.196 -6.459 -0.057 1.00 0.00 C ATOM 1383 OE1 GLU A 94 9.092 -6.482 -1.306 1.00 0.00 O ATOM 1384 OE2 GLU A 94 8.220 -6.763 0.669 1.00 0.00 O ATOM 0 H GLU A 94 12.404 -4.071 1.498 1.00 0.00 H new ATOM 0 HA GLU A 94 13.182 -6.678 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.442 -4.639 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.663 -6.283 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.888 -7.024 1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.371 -5.365 1.387 1.00 0.00 H new ATOM 1391 N ILE A 95 14.546 -4.269 -0.980 1.00 0.00 N ATOM 1392 CA ILE A 95 15.484 -3.958 -2.058 1.00 0.00 C ATOM 1393 C ILE A 95 16.523 -2.998 -1.490 1.00 0.00 C ATOM 1394 O ILE A 95 16.145 -2.030 -0.828 1.00 0.00 O ATOM 1395 CB ILE A 95 14.714 -3.348 -3.241 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.723 -4.402 -3.793 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.673 -2.822 -4.335 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.096 -4.048 -5.137 1.00 0.00 C ATOM 0 H ILE A 95 14.242 -3.452 -0.450 1.00 0.00 H new ATOM 0 HA ILE A 95 15.988 -4.849 -2.431 1.00 0.00 H new ATOM 0 HB ILE A 95 14.149 -2.482 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 95 14.244 -5.354 -3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.926 -4.548 -3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.093 -2.398 -5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 95 16.320 -2.053 -3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 95 16.283 -3.644 -4.710 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.417 -4.844 -5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.542 -3.114 -5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.880 -3.932 -5.885 1.00 0.00 H new ATOM 1410 N PHE A 96 17.802 -3.221 -1.805 1.00 0.00 N ATOM 1411 CA PHE A 96 18.887 -2.303 -1.537 1.00 0.00 C ATOM 1412 C PHE A 96 19.785 -2.276 -2.769 1.00 0.00 C ATOM 1413 O PHE A 96 20.091 -3.328 -3.337 1.00 0.00 O ATOM 1414 CB PHE A 96 19.706 -2.699 -0.294 1.00 0.00 C ATOM 1415 CG PHE A 96 20.910 -1.786 -0.102 1.00 0.00 C ATOM 1416 CD1 PHE A 96 22.115 -2.050 -0.788 1.00 0.00 C ATOM 1417 CD2 PHE A 96 20.781 -0.589 0.627 1.00 0.00 C ATOM 1418 CE1 PHE A 96 23.149 -1.097 -0.802 1.00 0.00 C ATOM 1419 CE2 PHE A 96 21.830 0.343 0.647 1.00 0.00 C ATOM 1420 CZ PHE A 96 23.011 0.096 -0.073 1.00 0.00 C ATOM 0 H PHE A 96 18.109 -4.076 -2.268 1.00 0.00 H new ATOM 0 HA PHE A 96 18.470 -1.318 -1.327 1.00 0.00 H new ATOM 0 HB2 PHE A 96 19.070 -2.655 0.590 1.00 0.00 H new ATOM 0 HB3 PHE A 96 20.043 -3.731 -0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.244 -2.989 -1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.871 -0.387 1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 96 24.047 -1.282 -1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 96 21.729 1.254 1.218 1.00 0.00 H new ATOM 0 HZ PHE A 96 23.811 0.822 -0.066 1.00 0.00 H new ATOM 1430 N GLU A 97 20.233 -1.082 -3.144 1.00 0.00 N ATOM 1431 CA GLU A 97 21.272 -0.838 -4.134 1.00 0.00 C ATOM 1432 C GLU A 97 22.031 0.415 -3.700 1.00 0.00 C ATOM 1433 O GLU A 97 21.496 1.234 -2.956 1.00 0.00 O ATOM 1434 CB GLU A 97 20.677 -0.586 -5.530 1.00 0.00 C ATOM 1435 CG GLU A 97 20.281 -1.872 -6.256 1.00 0.00 C ATOM 1436 CD GLU A 97 19.876 -1.611 -7.719 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.135 -0.639 -7.992 1.00 0.00 O ATOM 1438 OE2 GLU A 97 20.293 -2.390 -8.607 1.00 0.00 O ATOM 0 H GLU A 97 19.863 -0.219 -2.746 1.00 0.00 H new ATOM 0 HA GLU A 97 21.919 -1.713 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 97 19.800 0.054 -5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 97 21.403 -0.043 -6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 97 21.115 -2.573 -6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.452 -2.344 -5.730 1.00 0.00 H new ATOM 1445 N ASP A 98 23.250 0.582 -4.214 1.00 0.00 N ATOM 1446 CA ASP A 98 24.042 1.808 -4.112 1.00 0.00 C ATOM 1447 C ASP A 98 24.401 2.279 -5.520 1.00 0.00 C ATOM 1448 O ASP A 98 25.218 1.653 -6.200 1.00 0.00 O ATOM 1449 CB ASP A 98 25.288 1.700 -3.226 1.00 0.00 C ATOM 1450 CG ASP A 98 25.990 3.075 -3.177 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.463 3.987 -2.495 1.00 0.00 O ATOM 1452 OD2 ASP A 98 27.027 3.261 -3.851 1.00 0.00 O ATOM 0 H ASP A 98 23.729 -0.156 -4.730 1.00 0.00 H new ATOM 0 HA ASP A 98 23.420 2.545 -3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 98 25.009 1.383 -2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 98 25.967 0.944 -3.621 1.00 0.00 H new ATOM 1457 N TRP A 99 23.725 3.325 -6.000 1.00 0.00 N ATOM 1458 CA TRP A 99 23.905 3.866 -7.343 1.00 0.00 C ATOM 1459 C TRP A 99 25.143 4.768 -7.352 1.00 0.00 C ATOM 1460 O TRP A 99 25.059 5.967 -7.081 1.00 0.00 O ATOM 1461 CB TRP A 99 22.628 4.578 -7.824 1.00 0.00 C ATOM 1462 CG TRP A 99 21.358 3.770 -7.900 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.192 2.439 -7.701 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.027 4.276 -8.207 1.00 0.00 C ATOM 1465 NE1 TRP A 99 19.871 2.092 -7.907 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.092 3.194 -8.185 1.00 0.00 C ATOM 1467 CE3 TRP A 99 19.532 5.562 -8.503 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.720 3.388 -8.430 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.165 5.772 -8.737 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.270 4.690 -8.700 1.00 0.00 C ATOM 0 H TRP A 99 23.025 3.827 -5.454 1.00 0.00 H new ATOM 0 HA TRP A 99 24.077 3.060 -8.056 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.447 5.424 -7.162 1.00 0.00 H new ATOM 0 HB3 TRP A 99 22.825 4.986 -8.815 1.00 0.00 H new ATOM 0 HD1 TRP A 99 21.977 1.752 -7.422 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.516 1.137 -7.859 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.215 6.397 -8.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.031 2.557 -8.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 17.800 6.767 -8.946 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.220 4.862 -8.882 1.00 0.00 H new ATOM 1481 N GLN A 100 26.306 4.168 -7.617 1.00 0.00 N ATOM 1482 CA GLN A 100 27.583 4.860 -7.735 1.00 0.00 C ATOM 1483 C GLN A 100 27.530 5.845 -8.914 1.00 0.00 C ATOM 1484 O GLN A 100 27.623 5.431 -10.072 1.00 0.00 O ATOM 1485 CB GLN A 100 28.708 3.819 -7.894 1.00 0.00 C ATOM 1486 CG GLN A 100 30.108 4.455 -7.888 1.00 0.00 C ATOM 1487 CD GLN A 100 31.216 3.447 -8.209 1.00 0.00 C ATOM 1488 OE1 GLN A 100 31.980 3.624 -9.156 1.00 0.00 O ATOM 1489 NE2 GLN A 100 31.345 2.372 -7.444 1.00 0.00 N ATOM 0 H GLN A 100 26.383 3.161 -7.758 1.00 0.00 H new ATOM 0 HA GLN A 100 27.789 5.441 -6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.641 3.091 -7.086 1.00 0.00 H new ATOM 0 HB3 GLN A 100 28.565 3.274 -8.827 1.00 0.00 H new ATOM 0 HG2 GLN A 100 30.138 5.266 -8.616 1.00 0.00 H new ATOM 0 HG3 GLN A 100 30.297 4.898 -6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 100 30.711 2.226 -6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 100 32.078 1.691 -7.641 1.00 0.00 H new ATOM 1498 N LEU A 101 27.408 7.140 -8.621 1.00 0.00 N ATOM 1499 CA LEU A 101 27.355 8.236 -9.576 1.00 0.00 C ATOM 1500 C LEU A 101 28.226 9.369 -9.059 1.00 0.00 C ATOM 1501 O LEU A 101 28.706 9.322 -7.930 1.00 0.00 O ATOM 1502 CB LEU A 101 25.898 8.761 -9.630 1.00 0.00 C ATOM 1503 CG LEU A 101 25.022 8.243 -10.777 1.00 0.00 C ATOM 1504 CD1 LEU A 101 25.731 8.332 -12.135 1.00 0.00 C ATOM 1505 CD2 LEU A 101 24.465 6.838 -10.551 1.00 0.00 C ATOM 0 H LEU A 101 27.340 7.465 -7.657 1.00 0.00 H new ATOM 0 HA LEU A 101 27.692 7.899 -10.556 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.410 8.509 -8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.930 9.849 -9.691 1.00 0.00 H new ATOM 0 HG LEU A 101 24.164 8.915 -10.791 1.00 0.00 H new ATOM 0 HD11 LEU A 101 25.071 7.954 -12.916 1.00 0.00 H new ATOM 0 HD12 LEU A 101 25.984 9.371 -12.346 1.00 0.00 H new ATOM 0 HD13 LEU A 101 26.642 7.735 -12.110 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.857 6.546 -11.407 1.00 0.00 H new ATOM 0 HD22 LEU A 101 25.289 6.134 -10.434 1.00 0.00 H new ATOM 0 HD23 LEU A 101 23.851 6.830 -9.650 1.00 0.00 H new ATOM 1517 N GLU A 102 28.435 10.401 -9.870 1.00 0.00 N ATOM 1518 CA GLU A 102 28.994 11.644 -9.397 1.00 0.00 C ATOM 1519 C GLU A 102 27.885 12.270 -8.546 1.00 0.00 C ATOM 1520 O GLU A 102 26.713 11.908 -8.680 1.00 0.00 O ATOM 1521 CB GLU A 102 29.395 12.532 -10.585 1.00 0.00 C ATOM 1522 CG GLU A 102 30.673 12.043 -11.283 1.00 0.00 C ATOM 1523 CD GLU A 102 31.925 12.180 -10.397 1.00 0.00 C ATOM 1524 OE1 GLU A 102 32.478 13.297 -10.284 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.381 11.167 -9.819 1.00 0.00 O ATOM 0 H GLU A 102 28.220 10.391 -10.867 1.00 0.00 H new ATOM 0 HA GLU A 102 29.905 11.510 -8.813 1.00 0.00 H new ATOM 0 HB2 GLU A 102 28.578 12.558 -11.307 1.00 0.00 H new ATOM 0 HB3 GLU A 102 29.544 13.554 -10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 102 30.548 10.999 -11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 102 30.820 12.610 -12.202 1.00 0.00 H new ATOM 1532 N ASP A 103 28.219 13.184 -7.645 1.00 0.00 N ATOM 1533 CA ASP A 103 27.197 13.982 -6.967 1.00 0.00 C ATOM 1534 C ASP A 103 27.388 15.417 -7.466 1.00 0.00 C ATOM 1535 O ASP A 103 28.447 16.004 -7.225 1.00 0.00 O ATOM 1536 CB ASP A 103 27.124 13.802 -5.459 1.00 0.00 C ATOM 1537 CG ASP A 103 26.022 14.715 -4.892 1.00 0.00 C ATOM 1538 OD1 ASP A 103 26.316 15.913 -4.688 1.00 0.00 O ATOM 1539 OD2 ASP A 103 24.871 14.250 -4.706 1.00 0.00 O ATOM 0 H ASP A 103 29.178 13.393 -7.366 1.00 0.00 H new ATOM 0 HA ASP A 103 26.199 13.630 -7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 103 26.911 12.761 -5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 103 28.084 14.046 -5.005 1.00 0.00 H new ATOM 1544 N PRO A 104 26.443 15.914 -8.290 1.00 0.00 N ATOM 1545 CA PRO A 104 26.516 17.160 -9.050 1.00 0.00 C ATOM 1546 C PRO A 104 26.841 18.472 -8.322 1.00 0.00 C ATOM 1547 O PRO A 104 26.915 19.510 -8.975 1.00 0.00 O ATOM 1548 CB PRO A 104 25.196 17.272 -9.792 1.00 0.00 C ATOM 1549 CG PRO A 104 24.781 15.834 -10.020 1.00 0.00 C ATOM 1550 CD PRO A 104 25.406 15.069 -8.869 1.00 0.00 C ATOM 0 HA PRO A 104 27.400 17.065 -9.681 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.453 17.814 -9.206 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.312 17.808 -10.734 1.00 0.00 H new ATOM 0 HG2 PRO A 104 23.696 15.730 -10.022 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.139 15.466 -10.982 1.00 0.00 H new ATOM 0 HD2 PRO A 104 24.653 14.820 -8.121 1.00 0.00 H new ATOM 0 HD3 PRO A 104 25.830 14.128 -9.220 1.00 0.00 H new ATOM 1558 N ASP A 105 27.075 18.462 -7.016 1.00 0.00 N ATOM 1559 CA ASP A 105 27.510 19.628 -6.243 1.00 0.00 C ATOM 1560 C ASP A 105 28.738 20.311 -6.868 1.00 0.00 C ATOM 1561 O ASP A 105 29.878 19.868 -6.717 1.00 0.00 O ATOM 1562 CB ASP A 105 27.771 19.240 -4.788 1.00 0.00 C ATOM 1563 CG ASP A 105 28.249 20.434 -3.944 1.00 0.00 C ATOM 1564 OD1 ASP A 105 27.384 21.167 -3.416 1.00 0.00 O ATOM 1565 OD2 ASP A 105 29.471 20.608 -3.742 1.00 0.00 O ATOM 0 H ASP A 105 26.966 17.623 -6.446 1.00 0.00 H new ATOM 0 HA ASP A 105 26.700 20.357 -6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.858 18.832 -4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 105 28.521 18.450 -4.754 1.00 0.00 H new ATOM 1570 N GLY A 106 28.476 21.387 -7.609 1.00 0.00 N ATOM 1571 CA GLY A 106 29.457 22.306 -8.167 1.00 0.00 C ATOM 1572 C GLY A 106 30.038 21.828 -9.499 1.00 0.00 C ATOM 1573 O GLY A 106 31.115 22.294 -9.879 1.00 0.00 O ATOM 0 H GLY A 106 27.520 21.652 -7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 106 28.992 23.282 -8.309 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.268 22.441 -7.451 1.00 0.00 H new ATOM 1577 N GLN A 107 29.380 20.889 -10.190 1.00 0.00 N ATOM 1578 CA GLN A 107 29.967 20.221 -11.350 1.00 0.00 C ATOM 1579 C GLN A 107 29.552 20.891 -12.666 1.00 0.00 C ATOM 1580 O GLN A 107 28.776 21.852 -12.690 1.00 0.00 O ATOM 1581 CB GLN A 107 29.593 18.730 -11.365 1.00 0.00 C ATOM 1582 CG GLN A 107 29.719 18.003 -10.021 1.00 0.00 C ATOM 1583 CD GLN A 107 31.114 17.782 -9.448 1.00 0.00 C ATOM 1584 OE1 GLN A 107 32.134 18.206 -9.987 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.165 17.076 -8.329 1.00 0.00 N ATOM 0 H GLN A 107 28.436 20.576 -9.962 1.00 0.00 H new ATOM 0 HA GLN A 107 31.050 20.311 -11.262 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.565 18.635 -11.714 1.00 0.00 H new ATOM 0 HB3 GLN A 107 30.225 18.222 -12.093 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.142 18.562 -9.285 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.244 17.028 -10.125 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.304 16.735 -7.901 1.00 0.00 H new ATOM 0 HE22 GLN A 107 32.065 16.873 -7.895 1.00 0.00 H new ATOM 1594 N SER A 108 30.078 20.360 -13.767 1.00 0.00 N ATOM 1595 CA SER A 108 29.768 20.771 -15.128 1.00 0.00 C ATOM 1596 C SER A 108 28.378 20.265 -15.523 1.00 0.00 C ATOM 1597 O SER A 108 27.942 19.220 -15.033 1.00 0.00 O ATOM 1598 CB SER A 108 30.832 20.150 -16.039 1.00 0.00 C ATOM 1599 OG SER A 108 32.134 20.561 -15.648 1.00 0.00 O ATOM 0 H SER A 108 30.759 19.601 -13.731 1.00 0.00 H new ATOM 0 HA SER A 108 29.768 21.857 -15.216 1.00 0.00 H new ATOM 0 HB2 SER A 108 30.762 19.063 -15.999 1.00 0.00 H new ATOM 0 HB3 SER A 108 30.648 20.443 -17.073 1.00 0.00 H new ATOM 0 HG SER A 108 32.798 20.152 -16.241 1.00 0.00 H new ATOM 1605 N LEU A 109 27.701 20.940 -16.461 1.00 0.00 N ATOM 1606 CA LEU A 109 26.374 20.522 -16.927 1.00 0.00 C ATOM 1607 C LEU A 109 26.401 19.124 -17.537 1.00 0.00 C ATOM 1608 O LEU A 109 25.403 18.414 -17.461 1.00 0.00 O ATOM 1609 CB LEU A 109 25.791 21.509 -17.953 1.00 0.00 C ATOM 1610 CG LEU A 109 25.370 22.860 -17.347 1.00 0.00 C ATOM 1611 CD1 LEU A 109 25.033 23.848 -18.468 1.00 0.00 C ATOM 1612 CD2 LEU A 109 24.154 22.729 -16.418 1.00 0.00 C ATOM 0 H LEU A 109 28.054 21.783 -16.914 1.00 0.00 H new ATOM 0 HA LEU A 109 25.734 20.510 -16.045 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.531 21.686 -18.733 1.00 0.00 H new ATOM 0 HB3 LEU A 109 24.926 21.051 -18.432 1.00 0.00 H new ATOM 0 HG LEU A 109 26.210 23.222 -16.754 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.736 24.803 -18.034 1.00 0.00 H new ATOM 0 HD12 LEU A 109 25.909 23.994 -19.100 1.00 0.00 H new ATOM 0 HD13 LEU A 109 24.214 23.452 -19.068 1.00 0.00 H new ATOM 0 HD21 LEU A 109 23.896 23.709 -16.016 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.308 22.333 -16.980 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.394 22.052 -15.598 1.00 0.00 H new ATOM 1624 N GLU A 110 27.533 18.710 -18.109 1.00 0.00 N ATOM 1625 CA GLU A 110 27.706 17.353 -18.614 1.00 0.00 C ATOM 1626 C GLU A 110 27.617 16.333 -17.474 1.00 0.00 C ATOM 1627 O GLU A 110 27.010 15.276 -17.649 1.00 0.00 O ATOM 1628 CB GLU A 110 29.049 17.225 -19.350 1.00 0.00 C ATOM 1629 CG GLU A 110 29.091 18.066 -20.634 1.00 0.00 C ATOM 1630 CD GLU A 110 30.412 17.866 -21.398 1.00 0.00 C ATOM 1631 OE1 GLU A 110 31.385 18.615 -21.153 1.00 0.00 O ATOM 1632 OE2 GLU A 110 30.489 16.969 -22.270 1.00 0.00 O ATOM 0 H GLU A 110 28.351 19.306 -18.233 1.00 0.00 H new ATOM 0 HA GLU A 110 26.902 17.143 -19.319 1.00 0.00 H new ATOM 0 HB2 GLU A 110 29.856 17.537 -18.687 1.00 0.00 H new ATOM 0 HB3 GLU A 110 29.227 16.179 -19.597 1.00 0.00 H new ATOM 0 HG2 GLU A 110 28.254 17.793 -21.276 1.00 0.00 H new ATOM 0 HG3 GLU A 110 28.971 19.120 -20.384 1.00 0.00 H new ATOM 1639 N VAL A 111 28.170 16.640 -16.295 1.00 0.00 N ATOM 1640 CA VAL A 111 28.092 15.759 -15.132 1.00 0.00 C ATOM 1641 C VAL A 111 26.642 15.720 -14.653 1.00 0.00 C ATOM 1642 O VAL A 111 26.109 14.631 -14.442 1.00 0.00 O ATOM 1643 CB VAL A 111 29.059 16.214 -14.022 1.00 0.00 C ATOM 1644 CG1 VAL A 111 28.943 15.338 -12.765 1.00 0.00 C ATOM 1645 CG2 VAL A 111 30.516 16.176 -14.512 1.00 0.00 C ATOM 0 H VAL A 111 28.682 17.505 -16.124 1.00 0.00 H new ATOM 0 HA VAL A 111 28.402 14.751 -15.407 1.00 0.00 H new ATOM 0 HB VAL A 111 28.778 17.236 -13.768 1.00 0.00 H new ATOM 0 HG11 VAL A 111 29.642 15.694 -12.008 1.00 0.00 H new ATOM 0 HG12 VAL A 111 27.927 15.394 -12.375 1.00 0.00 H new ATOM 0 HG13 VAL A 111 29.178 14.304 -13.019 1.00 0.00 H new ATOM 0 HG21 VAL A 111 31.178 16.502 -13.710 1.00 0.00 H new ATOM 0 HG22 VAL A 111 30.775 15.159 -14.806 1.00 0.00 H new ATOM 0 HG23 VAL A 111 30.629 16.841 -15.368 1.00 0.00 H new ATOM 1655 N PHE A 112 25.989 16.883 -14.543 1.00 0.00 N ATOM 1656 CA PHE A 112 24.575 16.963 -14.193 1.00 0.00 C ATOM 1657 C PHE A 112 23.742 16.083 -15.122 1.00 0.00 C ATOM 1658 O PHE A 112 23.028 15.209 -14.641 1.00 0.00 O ATOM 1659 CB PHE A 112 24.084 18.413 -14.246 1.00 0.00 C ATOM 1660 CG PHE A 112 24.273 19.190 -12.971 1.00 0.00 C ATOM 1661 CD1 PHE A 112 23.281 19.144 -11.972 1.00 0.00 C ATOM 1662 CD2 PHE A 112 25.444 19.940 -12.774 1.00 0.00 C ATOM 1663 CE1 PHE A 112 23.488 19.807 -10.753 1.00 0.00 C ATOM 1664 CE2 PHE A 112 25.653 20.596 -11.556 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.692 20.498 -10.541 1.00 0.00 C ATOM 0 H PHE A 112 26.429 17.791 -14.695 1.00 0.00 H new ATOM 0 HA PHE A 112 24.456 16.599 -13.173 1.00 0.00 H new ATOM 0 HB2 PHE A 112 24.607 18.930 -15.051 1.00 0.00 H new ATOM 0 HB3 PHE A 112 23.024 18.414 -14.502 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.364 18.600 -12.144 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.181 20.010 -13.560 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.729 19.786 -9.985 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.551 21.175 -11.399 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.880 20.960 -9.583 1.00 0.00 H new ATOM 1675 N ARG A 113 23.853 16.265 -16.441 1.00 0.00 N ATOM 1676 CA ARG A 113 23.118 15.470 -17.428 1.00 0.00 C ATOM 1677 C ARG A 113 23.438 13.984 -17.323 1.00 0.00 C ATOM 1678 O ARG A 113 22.510 13.181 -17.411 1.00 0.00 O ATOM 1679 CB ARG A 113 23.385 16.013 -18.845 1.00 0.00 C ATOM 1680 CG ARG A 113 22.603 17.319 -19.036 1.00 0.00 C ATOM 1681 CD ARG A 113 23.069 18.192 -20.194 1.00 0.00 C ATOM 1682 NE ARG A 113 22.034 19.150 -20.628 1.00 0.00 N ATOM 1683 CZ ARG A 113 22.229 20.119 -21.532 1.00 0.00 C ATOM 1684 NH1 ARG A 113 23.415 20.279 -22.117 1.00 0.00 N ATOM 1685 NH2 ARG A 113 21.232 20.932 -21.851 1.00 0.00 N ATOM 0 H ARG A 113 24.459 16.973 -16.856 1.00 0.00 H new ATOM 0 HA ARG A 113 22.053 15.566 -17.215 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.451 16.189 -18.986 1.00 0.00 H new ATOM 0 HB3 ARG A 113 23.081 15.280 -19.592 1.00 0.00 H new ATOM 0 HG2 ARG A 113 21.551 17.075 -19.186 1.00 0.00 H new ATOM 0 HG3 ARG A 113 22.667 17.900 -18.116 1.00 0.00 H new ATOM 0 HD2 ARG A 113 23.964 18.738 -19.896 1.00 0.00 H new ATOM 0 HD3 ARG A 113 23.348 17.557 -21.035 1.00 0.00 H new ATOM 0 HE ARG A 113 21.107 19.069 -20.211 1.00 0.00 H new ATOM 0 HH11 ARG A 113 24.189 19.659 -21.878 1.00 0.00 H new ATOM 0 HH12 ARG A 113 23.549 21.021 -22.804 1.00 0.00 H new ATOM 0 HH21 ARG A 113 20.320 20.819 -21.409 1.00 0.00 H new ATOM 0 HH22 ARG A 113 21.377 21.671 -22.539 1.00 0.00 H new ATOM 1699 N THR A 114 24.697 13.598 -17.105 1.00 0.00 N ATOM 1700 CA THR A 114 25.074 12.205 -16.975 1.00 0.00 C ATOM 1701 C THR A 114 24.375 11.593 -15.756 1.00 0.00 C ATOM 1702 O THR A 114 23.691 10.575 -15.883 1.00 0.00 O ATOM 1703 CB THR A 114 26.608 12.140 -16.890 1.00 0.00 C ATOM 1704 OG1 THR A 114 27.188 12.659 -18.071 1.00 0.00 O ATOM 1705 CG2 THR A 114 27.104 10.712 -16.714 1.00 0.00 C ATOM 0 H THR A 114 25.477 14.249 -17.015 1.00 0.00 H new ATOM 0 HA THR A 114 24.756 11.617 -17.836 1.00 0.00 H new ATOM 0 HB THR A 114 26.901 12.732 -16.023 1.00 0.00 H new ATOM 0 HG1 THR A 114 27.385 13.611 -17.948 1.00 0.00 H new ATOM 0 HG21 THR A 114 28.193 10.709 -16.658 1.00 0.00 H new ATOM 0 HG22 THR A 114 26.693 10.295 -15.795 1.00 0.00 H new ATOM 0 HG23 THR A 114 26.783 10.108 -17.563 1.00 0.00 H new ATOM 1713 N VAL A 115 24.497 12.225 -14.586 1.00 0.00 N ATOM 1714 CA VAL A 115 23.883 11.741 -13.360 1.00 0.00 C ATOM 1715 C VAL A 115 22.369 11.742 -13.516 1.00 0.00 C ATOM 1716 O VAL A 115 21.754 10.728 -13.204 1.00 0.00 O ATOM 1717 CB VAL A 115 24.365 12.578 -12.164 1.00 0.00 C ATOM 1718 CG1 VAL A 115 23.650 12.231 -10.848 1.00 0.00 C ATOM 1719 CG2 VAL A 115 25.878 12.429 -11.946 1.00 0.00 C ATOM 0 H VAL A 115 25.027 13.089 -14.468 1.00 0.00 H new ATOM 0 HA VAL A 115 24.186 10.713 -13.164 1.00 0.00 H new ATOM 0 HB VAL A 115 24.120 13.607 -12.425 1.00 0.00 H new ATOM 0 HG11 VAL A 115 24.039 12.859 -10.046 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.580 12.405 -10.959 1.00 0.00 H new ATOM 0 HG13 VAL A 115 23.824 11.183 -10.605 1.00 0.00 H new ATOM 0 HG21 VAL A 115 26.184 13.034 -11.093 1.00 0.00 H new ATOM 0 HG22 VAL A 115 26.117 11.383 -11.753 1.00 0.00 H new ATOM 0 HG23 VAL A 115 26.409 12.764 -12.837 1.00 0.00 H new ATOM 1729 N ARG A 116 21.763 12.811 -14.045 1.00 0.00 N ATOM 1730 CA ARG A 116 20.321 12.885 -14.227 1.00 0.00 C ATOM 1731 C ARG A 116 19.858 11.700 -15.060 1.00 0.00 C ATOM 1732 O ARG A 116 18.914 11.020 -14.669 1.00 0.00 O ATOM 1733 CB ARG A 116 19.912 14.209 -14.904 1.00 0.00 C ATOM 1734 CG ARG A 116 18.377 14.331 -14.870 1.00 0.00 C ATOM 1735 CD ARG A 116 17.660 15.060 -16.014 1.00 0.00 C ATOM 1736 NE ARG A 116 18.195 14.720 -17.350 1.00 0.00 N ATOM 1737 CZ ARG A 116 18.626 15.601 -18.266 1.00 0.00 C ATOM 1738 NH1 ARG A 116 18.418 16.900 -18.095 1.00 0.00 N ATOM 1739 NH2 ARG A 116 19.270 15.180 -19.349 1.00 0.00 N ATOM 0 H ARG A 116 22.263 13.644 -14.356 1.00 0.00 H new ATOM 0 HA ARG A 116 19.843 12.853 -13.248 1.00 0.00 H new ATOM 0 HB2 ARG A 116 20.369 15.053 -14.388 1.00 0.00 H new ATOM 0 HB3 ARG A 116 20.270 14.233 -15.933 1.00 0.00 H new ATOM 0 HG2 ARG A 116 17.968 13.322 -14.817 1.00 0.00 H new ATOM 0 HG3 ARG A 116 18.108 14.833 -13.941 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.598 14.816 -15.982 1.00 0.00 H new ATOM 0 HD3 ARG A 116 17.744 16.136 -15.859 1.00 0.00 H new ATOM 0 HE ARG A 116 18.240 13.731 -17.596 1.00 0.00 H new ATOM 0 HH11 ARG A 116 17.929 17.233 -17.264 1.00 0.00 H new ATOM 0 HH12 ARG A 116 18.748 17.566 -18.794 1.00 0.00 H new ATOM 0 HH21 ARG A 116 19.439 14.184 -19.487 1.00 0.00 H new ATOM 0 HH22 ARG A 116 19.596 15.853 -20.043 1.00 0.00 H new ATOM 1753 N GLY A 117 20.517 11.457 -16.193 1.00 0.00 N ATOM 1754 CA GLY A 117 20.117 10.403 -17.103 1.00 0.00 C ATOM 1755 C GLY A 117 20.180 9.052 -16.412 1.00 0.00 C ATOM 1756 O GLY A 117 19.181 8.336 -16.437 1.00 0.00 O ATOM 0 H GLY A 117 21.335 11.985 -16.497 1.00 0.00 H new ATOM 0 HA2 GLY A 117 19.104 10.588 -17.461 1.00 0.00 H new ATOM 0 HA3 GLY A 117 20.769 10.402 -17.977 1.00 0.00 H new ATOM 1760 N GLN A 118 21.292 8.734 -15.736 1.00 0.00 N ATOM 1761 CA GLN A 118 21.417 7.477 -15.017 1.00 0.00 C ATOM 1762 C GLN A 118 20.356 7.367 -13.932 1.00 0.00 C ATOM 1763 O GLN A 118 19.626 6.387 -13.897 1.00 0.00 O ATOM 1764 CB GLN A 118 22.802 7.318 -14.385 1.00 0.00 C ATOM 1765 CG GLN A 118 23.929 7.095 -15.408 1.00 0.00 C ATOM 1766 CD GLN A 118 25.064 6.213 -14.870 1.00 0.00 C ATOM 1767 OE1 GLN A 118 24.842 5.248 -14.138 1.00 0.00 O ATOM 1768 NE2 GLN A 118 26.305 6.512 -15.218 1.00 0.00 N ATOM 0 H GLN A 118 22.113 9.336 -15.677 1.00 0.00 H new ATOM 0 HA GLN A 118 21.276 6.680 -15.747 1.00 0.00 H new ATOM 0 HB2 GLN A 118 23.028 8.208 -13.798 1.00 0.00 H new ATOM 0 HB3 GLN A 118 22.781 6.477 -13.692 1.00 0.00 H new ATOM 0 HG2 GLN A 118 23.513 6.635 -16.304 1.00 0.00 H new ATOM 0 HG3 GLN A 118 24.337 8.061 -15.706 1.00 0.00 H new ATOM 0 HE21 GLN A 118 26.486 7.312 -15.824 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.081 5.943 -14.880 1.00 0.00 H new ATOM 1777 N VAL A 119 20.260 8.360 -13.054 1.00 0.00 N ATOM 1778 CA VAL A 119 19.294 8.402 -11.960 1.00 0.00 C ATOM 1779 C VAL A 119 17.877 8.181 -12.497 1.00 0.00 C ATOM 1780 O VAL A 119 17.158 7.355 -11.938 1.00 0.00 O ATOM 1781 CB VAL A 119 19.449 9.716 -11.153 1.00 0.00 C ATOM 1782 CG1 VAL A 119 18.333 9.912 -10.121 1.00 0.00 C ATOM 1783 CG2 VAL A 119 20.779 9.712 -10.371 1.00 0.00 C ATOM 0 H VAL A 119 20.867 9.179 -13.084 1.00 0.00 H new ATOM 0 HA VAL A 119 19.491 7.589 -11.262 1.00 0.00 H new ATOM 0 HB VAL A 119 19.411 10.521 -11.887 1.00 0.00 H new ATOM 0 HG11 VAL A 119 18.493 10.848 -9.586 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.369 9.945 -10.629 1.00 0.00 H new ATOM 0 HG13 VAL A 119 18.342 9.083 -9.413 1.00 0.00 H new ATOM 0 HG21 VAL A 119 20.874 10.641 -9.809 1.00 0.00 H new ATOM 0 HG22 VAL A 119 20.793 8.868 -9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 119 21.611 9.624 -11.069 1.00 0.00 H new ATOM 1793 N LYS A 120 17.469 8.844 -13.586 1.00 0.00 N ATOM 1794 CA LYS A 120 16.125 8.678 -14.127 1.00 0.00 C ATOM 1795 C LYS A 120 15.913 7.245 -14.601 1.00 0.00 C ATOM 1796 O LYS A 120 14.933 6.608 -14.220 1.00 0.00 O ATOM 1797 CB LYS A 120 15.909 9.704 -15.251 1.00 0.00 C ATOM 1798 CG LYS A 120 14.567 9.511 -15.967 1.00 0.00 C ATOM 1799 CD LYS A 120 14.371 10.571 -17.056 1.00 0.00 C ATOM 1800 CE LYS A 120 13.073 10.335 -17.840 1.00 0.00 C ATOM 1801 NZ LYS A 120 13.133 9.154 -18.739 1.00 0.00 N ATOM 0 H LYS A 120 18.054 9.499 -14.106 1.00 0.00 H new ATOM 0 HA LYS A 120 15.382 8.862 -13.351 1.00 0.00 H new ATOM 0 HB2 LYS A 120 15.954 10.710 -14.835 1.00 0.00 H new ATOM 0 HB3 LYS A 120 16.719 9.622 -15.975 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.527 8.516 -16.411 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.753 9.571 -15.245 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.348 11.562 -16.602 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.219 10.553 -17.740 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.251 10.205 -17.136 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.849 11.222 -18.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.354 9.201 -19.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.042 9.149 -19.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.045 8.284 -18.176 1.00 0.00 H new ATOM 1815 N GLU A 121 16.844 6.731 -15.398 1.00 0.00 N ATOM 1816 CA GLU A 121 16.848 5.358 -15.875 1.00 0.00 C ATOM 1817 C GLU A 121 16.756 4.383 -14.702 1.00 0.00 C ATOM 1818 O GLU A 121 16.009 3.412 -14.763 1.00 0.00 O ATOM 1819 CB GLU A 121 18.118 5.152 -16.729 1.00 0.00 C ATOM 1820 CG GLU A 121 18.928 3.879 -16.475 1.00 0.00 C ATOM 1821 CD GLU A 121 19.995 3.656 -17.561 1.00 0.00 C ATOM 1822 OE1 GLU A 121 19.685 3.030 -18.601 1.00 0.00 O ATOM 1823 OE2 GLU A 121 21.158 4.080 -17.380 1.00 0.00 O ATOM 0 H GLU A 121 17.637 7.275 -15.738 1.00 0.00 H new ATOM 0 HA GLU A 121 15.976 5.159 -16.498 1.00 0.00 H new ATOM 0 HB2 GLU A 121 17.825 5.163 -17.779 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.774 6.008 -16.572 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.410 3.943 -15.499 1.00 0.00 H new ATOM 0 HG3 GLU A 121 18.257 3.021 -16.443 1.00 0.00 H new ATOM 1830 N ARG A 122 17.505 4.632 -13.632 1.00 0.00 N ATOM 1831 CA ARG A 122 17.584 3.739 -12.489 1.00 0.00 C ATOM 1832 C ARG A 122 16.282 3.795 -11.688 1.00 0.00 C ATOM 1833 O ARG A 122 15.798 2.733 -11.310 1.00 0.00 O ATOM 1834 CB ARG A 122 18.832 4.068 -11.662 1.00 0.00 C ATOM 1835 CG ARG A 122 20.165 3.695 -12.336 1.00 0.00 C ATOM 1836 CD ARG A 122 21.323 4.399 -11.616 1.00 0.00 C ATOM 1837 NE ARG A 122 22.638 4.079 -12.202 1.00 0.00 N ATOM 1838 CZ ARG A 122 23.495 3.139 -11.784 1.00 0.00 C ATOM 1839 NH1 ARG A 122 23.166 2.289 -10.811 1.00 0.00 N ATOM 1840 NH2 ARG A 122 24.689 3.071 -12.359 1.00 0.00 N ATOM 0 H ARG A 122 18.079 5.470 -13.537 1.00 0.00 H new ATOM 0 HA ARG A 122 17.693 2.706 -12.819 1.00 0.00 H new ATOM 0 HB2 ARG A 122 18.836 5.136 -11.445 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.766 3.548 -10.706 1.00 0.00 H new ATOM 0 HG2 ARG A 122 20.309 2.615 -12.307 1.00 0.00 H new ATOM 0 HG3 ARG A 122 20.147 3.986 -13.386 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.166 5.477 -11.653 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.319 4.112 -10.564 1.00 0.00 H new ATOM 0 HE ARG A 122 22.925 4.631 -13.010 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.248 2.348 -10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 122 23.833 1.580 -10.506 1.00 0.00 H new ATOM 0 HH21 ARG A 122 24.936 3.726 -13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 122 25.360 2.364 -12.059 1.00 0.00 H new ATOM 1854 N VAL A 123 15.665 4.964 -11.469 1.00 0.00 N ATOM 1855 CA VAL A 123 14.320 5.080 -10.920 1.00 0.00 C ATOM 1856 C VAL A 123 13.361 4.242 -11.778 1.00 0.00 C ATOM 1857 O VAL A 123 12.626 3.426 -11.224 1.00 0.00 O ATOM 1858 CB VAL A 123 13.914 6.569 -10.834 1.00 0.00 C ATOM 1859 CG1 VAL A 123 12.429 6.750 -10.507 1.00 0.00 C ATOM 1860 CG2 VAL A 123 14.703 7.314 -9.748 1.00 0.00 C ATOM 0 H VAL A 123 16.098 5.865 -11.673 1.00 0.00 H new ATOM 0 HA VAL A 123 14.279 4.689 -9.903 1.00 0.00 H new ATOM 0 HB VAL A 123 14.134 6.979 -11.820 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.194 7.813 -10.458 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.826 6.281 -11.284 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.209 6.285 -9.546 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.388 8.357 -9.720 1.00 0.00 H new ATOM 0 HG22 VAL A 123 14.514 6.852 -8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 123 15.768 7.263 -9.973 1.00 0.00 H new ATOM 1870 N GLU A 124 13.386 4.377 -13.112 1.00 0.00 N ATOM 1871 CA GLU A 124 12.514 3.590 -13.983 1.00 0.00 C ATOM 1872 C GLU A 124 12.779 2.092 -13.811 1.00 0.00 C ATOM 1873 O GLU A 124 11.846 1.292 -13.772 1.00 0.00 O ATOM 1874 CB GLU A 124 12.673 3.972 -15.469 1.00 0.00 C ATOM 1875 CG GLU A 124 12.126 5.360 -15.818 1.00 0.00 C ATOM 1876 CD GLU A 124 12.239 5.676 -17.319 1.00 0.00 C ATOM 1877 OE1 GLU A 124 11.546 5.029 -18.139 1.00 0.00 O ATOM 1878 OE2 GLU A 124 12.994 6.604 -17.688 1.00 0.00 O ATOM 0 H GLU A 124 14.001 5.024 -13.606 1.00 0.00 H new ATOM 0 HA GLU A 124 11.491 3.816 -13.683 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.730 3.933 -15.732 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.164 3.228 -16.081 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.081 5.422 -15.514 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.669 6.115 -15.249 1.00 0.00 H new ATOM 1885 N ASN A 125 14.049 1.715 -13.674 1.00 0.00 N ATOM 1886 CA ASN A 125 14.481 0.337 -13.501 1.00 0.00 C ATOM 1887 C ASN A 125 13.934 -0.228 -12.193 1.00 0.00 C ATOM 1888 O ASN A 125 13.392 -1.330 -12.171 1.00 0.00 O ATOM 1889 CB ASN A 125 16.017 0.256 -13.532 1.00 0.00 C ATOM 1890 CG ASN A 125 16.490 -1.107 -14.009 1.00 0.00 C ATOM 1891 OD1 ASN A 125 16.498 -2.082 -13.264 1.00 0.00 O ATOM 1892 ND2 ASN A 125 16.895 -1.191 -15.265 1.00 0.00 N ATOM 0 H ASN A 125 14.823 2.380 -13.681 1.00 0.00 H new ATOM 0 HA ASN A 125 14.089 -0.263 -14.322 1.00 0.00 H new ATOM 0 HB2 ASN A 125 16.411 1.030 -14.190 1.00 0.00 H new ATOM 0 HB3 ASN A 125 16.414 0.453 -12.536 1.00 0.00 H new ATOM 0 HD21 ASN A 125 17.224 -2.082 -15.636 1.00 0.00 H new ATOM 0 HD22 ASN A 125 16.878 -0.365 -15.863 1.00 0.00 H new ATOM 1899 N LEU A 126 14.038 0.547 -11.110 1.00 0.00 N ATOM 1900 CA LEU A 126 13.552 0.166 -9.790 1.00 0.00 C ATOM 1901 C LEU A 126 12.037 -0.013 -9.833 1.00 0.00 C ATOM 1902 O LEU A 126 11.547 -1.038 -9.378 1.00 0.00 O ATOM 1903 CB LEU A 126 14.116 1.078 -8.672 1.00 0.00 C ATOM 1904 CG LEU A 126 13.134 2.078 -8.042 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.255 1.443 -6.957 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.865 3.245 -7.383 1.00 0.00 C ATOM 0 H LEU A 126 14.470 1.471 -11.131 1.00 0.00 H new ATOM 0 HA LEU A 126 13.945 -0.810 -9.507 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.510 0.442 -7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.958 1.638 -9.080 1.00 0.00 H new ATOM 0 HG LEU A 126 12.514 2.420 -8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.581 2.196 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 126 11.671 0.631 -7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.887 1.050 -6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.138 3.931 -6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.521 2.867 -6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.459 3.771 -8.130 1.00 0.00 H new ATOM 1918 N ILE A 127 11.309 0.921 -10.444 1.00 0.00 N ATOM 1919 CA ILE A 127 9.869 0.845 -10.652 1.00 0.00 C ATOM 1920 C ILE A 127 9.501 -0.385 -11.491 1.00 0.00 C ATOM 1921 O ILE A 127 8.478 -1.011 -11.215 1.00 0.00 O ATOM 1922 CB ILE A 127 9.411 2.164 -11.311 1.00 0.00 C ATOM 1923 CG1 ILE A 127 9.477 3.345 -10.315 1.00 0.00 C ATOM 1924 CG2 ILE A 127 7.994 2.037 -11.883 1.00 0.00 C ATOM 1925 CD1 ILE A 127 9.443 4.709 -11.016 1.00 0.00 C ATOM 0 H ILE A 127 11.720 1.776 -10.818 1.00 0.00 H new ATOM 0 HA ILE A 127 9.352 0.725 -9.700 1.00 0.00 H new ATOM 0 HB ILE A 127 10.099 2.368 -12.132 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.640 3.277 -9.620 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.390 3.267 -9.724 1.00 0.00 H new ATOM 0 HG21 ILE A 127 7.700 2.982 -12.340 1.00 0.00 H new ATOM 0 HG22 ILE A 127 7.975 1.248 -12.635 1.00 0.00 H new ATOM 0 HG23 ILE A 127 7.299 1.790 -11.081 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.492 5.503 -10.270 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.295 4.792 -11.691 1.00 0.00 H new ATOM 0 HD13 ILE A 127 8.518 4.803 -11.585 1.00 0.00 H new ATOM 1937 N ALA A 128 10.283 -0.764 -12.502 1.00 0.00 N ATOM 1938 CA ALA A 128 9.911 -1.854 -13.406 1.00 0.00 C ATOM 1939 C ALA A 128 9.770 -3.183 -12.649 1.00 0.00 C ATOM 1940 O ALA A 128 8.946 -4.028 -12.998 1.00 0.00 O ATOM 1941 CB ALA A 128 10.939 -1.978 -14.537 1.00 0.00 C ATOM 0 H ALA A 128 11.181 -0.331 -12.716 1.00 0.00 H new ATOM 0 HA ALA A 128 8.940 -1.619 -13.841 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.651 -2.792 -15.203 1.00 0.00 H new ATOM 0 HB2 ALA A 128 10.975 -1.045 -15.099 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.922 -2.185 -14.114 1.00 0.00 H new ATOM 1947 N LYS A 129 10.566 -3.346 -11.590 1.00 0.00 N ATOM 1948 CA LYS A 129 10.595 -4.518 -10.722 1.00 0.00 C ATOM 1949 C LYS A 129 9.335 -4.656 -9.858 1.00 0.00 C ATOM 1950 O LYS A 129 9.056 -5.757 -9.383 1.00 0.00 O ATOM 1951 CB LYS A 129 11.819 -4.397 -9.809 1.00 0.00 C ATOM 1952 CG LYS A 129 13.138 -4.412 -10.598 1.00 0.00 C ATOM 1953 CD LYS A 129 14.317 -4.031 -9.695 1.00 0.00 C ATOM 1954 CE LYS A 129 15.476 -3.406 -10.488 1.00 0.00 C ATOM 1955 NZ LYS A 129 16.046 -4.300 -11.525 1.00 0.00 N ATOM 0 H LYS A 129 11.236 -2.632 -11.304 1.00 0.00 H new ATOM 0 HA LYS A 129 10.642 -5.405 -11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.752 -3.473 -9.235 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.818 -5.218 -9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.303 -5.403 -11.020 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.075 -3.716 -11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.978 -3.327 -8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.674 -4.918 -9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.125 -2.491 -10.964 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.266 -3.121 -9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.245 -3.751 -12.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.928 -4.722 -11.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.365 -5.055 -11.745 1.00 0.00 H new ATOM 1969 N ILE A 130 8.580 -3.571 -9.651 1.00 0.00 N ATOM 1970 CA ILE A 130 7.501 -3.464 -8.682 1.00 0.00 C ATOM 1971 C ILE A 130 6.146 -3.030 -9.250 1.00 0.00 C ATOM 1972 O ILE A 130 5.114 -3.280 -8.624 1.00 0.00 O ATOM 1973 CB ILE A 130 7.969 -2.500 -7.574 1.00 0.00 C ATOM 1974 CG1 ILE A 130 8.487 -1.141 -8.077 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.013 -3.228 -6.704 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.141 -0.263 -7.009 1.00 0.00 C ATOM 0 H ILE A 130 8.716 -2.710 -10.181 1.00 0.00 H new ATOM 0 HA ILE A 130 7.308 -4.466 -8.300 1.00 0.00 H new ATOM 0 HB ILE A 130 7.094 -2.236 -6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.210 -1.317 -8.874 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.654 -0.592 -8.517 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.357 -2.561 -5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.562 -4.115 -6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.860 -3.523 -7.323 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.473 0.672 -7.460 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.419 -0.049 -6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 130 9.998 -0.785 -6.583 1.00 0.00 H new ATOM 1988 N SER A 131 6.161 -2.390 -10.415 1.00 0.00 N ATOM 1989 CA SER A 131 4.995 -1.998 -11.204 1.00 0.00 C ATOM 1990 C SER A 131 3.952 -3.120 -11.243 1.00 0.00 C ATOM 1991 O SER A 131 4.306 -4.269 -11.587 1.00 0.00 O ATOM 1992 CB SER A 131 5.424 -1.622 -12.623 1.00 0.00 C ATOM 1993 OG SER A 131 6.241 -0.472 -12.597 1.00 0.00 O ATOM 1994 OXT SER A 131 2.770 -2.845 -10.950 1.00 0.00 O ATOM 0 H SER A 131 7.036 -2.115 -10.860 1.00 0.00 H new ATOM 0 HA SER A 131 4.538 -1.130 -10.729 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.965 -2.451 -13.079 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.544 -1.438 -13.240 1.00 0.00 H new ATOM 0 HG SER A 131 7.163 -0.730 -12.388 1.00 0.00 H new TER 2000 SER A 131