USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=32 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= 0.755 K(o=1.5,f=-2.3) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 148:sc= 0.714 (180deg=0) USER MOD Set 2.1: A 78 SER OG : rot -111:sc= 1.69 USER MOD Set 2.2: A 80 CYS SG : rot 87:sc= 0.407 USER MOD Set 3.1: A 11 ASN : amide:sc= 1.69 K(o=9.2,f=-5.1) USER MOD Set 3.2: A 16 GLN : amide:sc= 2.05 K(o=9.2,f=-5.1) USER MOD Set 3.3: A 23 LYS NZ :NH3+ 171:sc= 2.38 (180deg=1.18) USER MOD Set 3.4: A 34 SER OG : rot -88:sc= 1.48 USER MOD Set 3.5: A 60 GLN : amide:sc= 1.65 K(o=9.2,f=0.94) USER MOD Set 4.1: A 12 SER OG : rot 180:sc= 0.0175 USER MOD Set 4.2: A 13 CYS SG : rot 155:sc= 1.5 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00573) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.0259 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.21) USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0.966) USER MOD Single : A 5 MET CE :methyl 147:sc= -0.214 (180deg=-0.908) USER MOD Single : A 8 CYS SG : rot 71:sc= -0.088 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -179:sc= -0.385 USER MOD Single : A 17 MET CE :methyl 180:sc= -0.0987 (180deg=-0.0987) USER MOD Single : A 24 THR OG1 : rot 84:sc= 1.14 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 2:sc= 0.66 USER MOD Single : A 35 CYS SG : rot -96:sc= 1.16 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0515 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-1.7) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0091 USER MOD Single : A 49 MET CE :methyl -151:sc= -1.27 (180deg=-2.6!) USER MOD Single : A 50 MET CE :methyl -126:sc= -3.58 (180deg=-13.3!) USER MOD Single : A 58 SER OG : rot -77:sc= 1.22 USER MOD Single : A 61 THR OG1 : rot -5:sc= 1.17 USER MOD Single : A 62 SER OG : rot -171:sc= 1.24 USER MOD Single : A 67 ASN : amide:sc= 0.936 K(o=0.94,f=-0.55) USER MOD Single : A 69 ASN : amide:sc= 0.86 K(o=0.86,f=-0.0019) USER MOD Single : A 73 TYR OH : rot -175:sc= 1.26 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.655 K(o=-0.65,f=-3.5!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 93 GLN : amide:sc= 0.985 K(o=0.98,f=-0.067) USER MOD Single : A 100 GLN : amide:sc= 0.863 K(o=0.86,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.803 K(o=0.8,f=-1.3) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 66:sc= 1.3 USER MOD Single : A 118 GLN : amide:sc= 0.902 K(o=0.9,f=-4.5!) USER MOD Single : A 120 LYS NZ :NH3+ -174:sc= 1.16 (180deg=1.12) USER MOD Single : A 131 SER OG : rot 59:sc= 0.0911 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.303 -0.710 -2.569 1.00 0.00 N ATOM 2 CA MET A 1 2.323 0.358 -2.722 1.00 0.00 C ATOM 3 C MET A 1 3.644 -0.069 -2.079 1.00 0.00 C ATOM 4 O MET A 1 3.656 -0.759 -1.057 1.00 0.00 O ATOM 5 CB MET A 1 1.818 1.707 -2.159 1.00 0.00 C ATOM 6 CG MET A 1 2.859 2.839 -2.190 1.00 0.00 C ATOM 7 SD MET A 1 2.171 4.508 -2.010 1.00 0.00 S ATOM 8 CE MET A 1 1.490 4.775 -3.674 1.00 0.00 C ATOM 0 H1 MET A 1 1.148 -1.175 -3.486 1.00 0.00 H new ATOM 0 H2 MET A 1 1.636 -1.411 -1.877 1.00 0.00 H new ATOM 0 H3 MET A 1 0.410 -0.292 -2.237 1.00 0.00 H new ATOM 0 HA MET A 1 2.503 0.509 -3.786 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.943 2.019 -2.728 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.492 1.558 -1.130 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.582 2.671 -1.392 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.405 2.786 -3.132 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.062 5.775 -3.736 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.285 4.674 -4.413 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.714 4.035 -3.873 1.00 0.00 H new ATOM 18 N LYS A 2 4.766 0.367 -2.661 1.00 0.00 N ATOM 19 CA LYS A 2 6.116 0.139 -2.144 1.00 0.00 C ATOM 20 C LYS A 2 6.727 1.502 -1.843 1.00 0.00 C ATOM 21 O LYS A 2 6.621 2.413 -2.659 1.00 0.00 O ATOM 22 CB LYS A 2 6.928 -0.642 -3.198 1.00 0.00 C ATOM 23 CG LYS A 2 6.426 -2.076 -3.455 1.00 0.00 C ATOM 24 CD LYS A 2 6.471 -2.927 -2.184 1.00 0.00 C ATOM 25 CE LYS A 2 6.612 -4.426 -2.479 1.00 0.00 C ATOM 26 NZ LYS A 2 6.958 -5.186 -1.252 1.00 0.00 N ATOM 0 H LYS A 2 4.758 0.903 -3.529 1.00 0.00 H new ATOM 0 HA LYS A 2 6.111 -0.454 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.907 -0.089 -4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.969 -0.687 -2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.405 -2.042 -3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.037 -2.543 -4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.307 -2.603 -1.564 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.562 -2.759 -1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.679 -4.807 -2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.383 -4.579 -3.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.080 -6.191 -1.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.843 -4.815 -0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.194 -5.085 -0.554 1.00 0.00 H new ATOM 40 N LYS A 3 7.334 1.682 -0.673 1.00 0.00 N ATOM 41 CA LYS A 3 7.978 2.952 -0.343 1.00 0.00 C ATOM 42 C LYS A 3 9.431 2.883 -0.749 1.00 0.00 C ATOM 43 O LYS A 3 10.084 1.878 -0.477 1.00 0.00 O ATOM 44 CB LYS A 3 7.803 3.271 1.148 1.00 0.00 C ATOM 45 CG LYS A 3 6.593 4.205 1.280 1.00 0.00 C ATOM 46 CD LYS A 3 6.269 4.503 2.742 1.00 0.00 C ATOM 47 CE LYS A 3 5.267 5.653 2.851 1.00 0.00 C ATOM 48 NZ LYS A 3 4.944 5.951 4.265 1.00 0.00 N ATOM 0 H LYS A 3 7.394 0.972 0.057 1.00 0.00 H new ATOM 0 HA LYS A 3 7.508 3.767 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.646 2.357 1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.699 3.746 1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.794 5.138 0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.727 3.749 0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.860 3.612 3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.183 4.759 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.678 6.543 2.374 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.354 5.396 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.415 6.845 4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.366 5.181 4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.825 6.037 4.812 1.00 0.00 H new ATOM 62 N VAL A 4 9.954 3.947 -1.342 1.00 0.00 N ATOM 63 CA VAL A 4 11.323 3.999 -1.806 1.00 0.00 C ATOM 64 C VAL A 4 12.037 5.162 -1.144 1.00 0.00 C ATOM 65 O VAL A 4 11.468 6.234 -0.921 1.00 0.00 O ATOM 66 CB VAL A 4 11.327 4.057 -3.341 1.00 0.00 C ATOM 67 CG1 VAL A 4 10.642 5.278 -3.957 1.00 0.00 C ATOM 68 CG2 VAL A 4 12.749 3.972 -3.915 1.00 0.00 C ATOM 0 H VAL A 4 9.430 4.805 -1.514 1.00 0.00 H new ATOM 0 HA VAL A 4 11.875 3.102 -1.524 1.00 0.00 H new ATOM 0 HB VAL A 4 10.738 3.183 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.702 5.219 -5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.596 5.301 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.139 6.186 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.705 4.017 -5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.343 4.806 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.210 3.033 -3.609 1.00 0.00 H new ATOM 78 N MET A 5 13.305 4.927 -0.853 1.00 0.00 N ATOM 79 CA MET A 5 14.182 5.879 -0.212 1.00 0.00 C ATOM 80 C MET A 5 15.407 6.075 -1.097 1.00 0.00 C ATOM 81 O MET A 5 15.909 5.095 -1.642 1.00 0.00 O ATOM 82 CB MET A 5 14.503 5.344 1.189 1.00 0.00 C ATOM 83 CG MET A 5 15.679 6.068 1.828 1.00 0.00 C ATOM 84 SD MET A 5 15.545 7.872 1.985 1.00 0.00 S ATOM 85 CE MET A 5 14.118 8.042 3.082 1.00 0.00 C ATOM 0 H MET A 5 13.762 4.040 -1.065 1.00 0.00 H new ATOM 0 HA MET A 5 13.728 6.862 -0.088 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.625 5.450 1.826 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.725 4.279 1.127 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.834 5.651 2.823 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.573 5.843 1.246 1.00 0.00 H new ATOM 0 HE1 MET A 5 14.248 8.920 3.714 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.212 8.154 2.486 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.033 7.154 3.708 1.00 0.00 H new ATOM 95 N PHE A 6 15.919 7.307 -1.194 1.00 0.00 N ATOM 96 CA PHE A 6 17.198 7.605 -1.845 1.00 0.00 C ATOM 97 C PHE A 6 18.112 8.289 -0.810 1.00 0.00 C ATOM 98 O PHE A 6 17.702 9.302 -0.249 1.00 0.00 O ATOM 99 CB PHE A 6 17.002 8.460 -3.102 1.00 0.00 C ATOM 100 CG PHE A 6 16.115 7.814 -4.153 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.718 7.967 -4.077 1.00 0.00 C ATOM 102 CD2 PHE A 6 16.677 7.038 -5.190 1.00 0.00 C ATOM 103 CE1 PHE A 6 13.904 7.325 -5.027 1.00 0.00 C ATOM 104 CE2 PHE A 6 15.851 6.432 -6.157 1.00 0.00 C ATOM 105 CZ PHE A 6 14.464 6.587 -6.075 1.00 0.00 C ATOM 0 H PHE A 6 15.452 8.133 -0.819 1.00 0.00 H new ATOM 0 HA PHE A 6 17.668 6.683 -2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.569 9.418 -2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.977 8.670 -3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.276 8.571 -3.298 1.00 0.00 H new ATOM 0 HD2 PHE A 6 17.748 6.908 -5.242 1.00 0.00 H new ATOM 0 HE1 PHE A 6 12.830 7.403 -4.946 1.00 0.00 H new ATOM 0 HE2 PHE A 6 16.287 5.851 -6.957 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.825 6.137 -6.821 1.00 0.00 H new ATOM 115 N VAL A 7 19.325 7.791 -0.544 1.00 0.00 N ATOM 116 CA VAL A 7 20.185 8.230 0.568 1.00 0.00 C ATOM 117 C VAL A 7 21.575 8.565 0.031 1.00 0.00 C ATOM 118 O VAL A 7 22.180 7.721 -0.625 1.00 0.00 O ATOM 119 CB VAL A 7 20.352 7.092 1.609 1.00 0.00 C ATOM 120 CG1 VAL A 7 21.027 7.598 2.892 1.00 0.00 C ATOM 121 CG2 VAL A 7 19.049 6.382 1.976 1.00 0.00 C ATOM 0 H VAL A 7 19.749 7.054 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 7 19.721 9.099 1.034 1.00 0.00 H new ATOM 0 HB VAL A 7 20.989 6.359 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 7 21.128 6.775 3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 7 22.014 7.994 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.419 8.386 3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.254 5.601 2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 7 18.349 7.102 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.614 5.936 1.082 1.00 0.00 H new ATOM 131 N CYS A 8 22.139 9.735 0.347 1.00 0.00 N ATOM 132 CA CYS A 8 23.456 10.114 -0.158 1.00 0.00 C ATOM 133 C CYS A 8 24.319 10.771 0.906 1.00 0.00 C ATOM 134 O CYS A 8 23.826 11.321 1.885 1.00 0.00 O ATOM 135 CB CYS A 8 23.260 11.082 -1.338 1.00 0.00 C ATOM 136 SG CYS A 8 24.790 11.467 -2.218 1.00 0.00 S ATOM 0 H CYS A 8 21.702 10.433 0.949 1.00 0.00 H new ATOM 0 HA CYS A 8 23.976 9.209 -0.473 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.547 10.648 -2.039 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.820 12.008 -0.968 1.00 0.00 H new ATOM 0 HG CYS A 8 25.186 10.420 -2.879 1.00 0.00 H new ATOM 142 N LYS A 9 25.627 10.783 0.651 1.00 0.00 N ATOM 143 CA LYS A 9 26.614 11.555 1.396 1.00 0.00 C ATOM 144 C LYS A 9 26.286 13.060 1.346 1.00 0.00 C ATOM 145 O LYS A 9 26.717 13.799 2.230 1.00 0.00 O ATOM 146 CB LYS A 9 28.009 11.240 0.813 1.00 0.00 C ATOM 147 CG LYS A 9 28.692 10.121 1.609 1.00 0.00 C ATOM 148 CD LYS A 9 30.073 9.792 1.033 1.00 0.00 C ATOM 149 CE LYS A 9 30.789 8.770 1.929 1.00 0.00 C ATOM 150 NZ LYS A 9 32.223 8.616 1.572 1.00 0.00 N ATOM 0 H LYS A 9 26.040 10.237 -0.105 1.00 0.00 H new ATOM 0 HA LYS A 9 26.599 11.277 2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.913 10.943 -0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.628 12.137 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.793 10.423 2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 9 28.067 9.228 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.969 9.393 0.024 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.670 10.701 0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 9 30.707 9.082 2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 9 30.290 7.804 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 32.665 7.917 2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 32.303 8.293 0.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 32.707 9.531 1.676 1.00 0.00 H new ATOM 164 N ARG A 10 25.504 13.512 0.356 1.00 0.00 N ATOM 165 CA ARG A 10 24.923 14.843 0.262 1.00 0.00 C ATOM 166 C ARG A 10 23.582 14.697 -0.458 1.00 0.00 C ATOM 167 O ARG A 10 23.527 14.517 -1.671 1.00 0.00 O ATOM 168 CB ARG A 10 25.880 15.841 -0.420 1.00 0.00 C ATOM 169 CG ARG A 10 26.580 15.370 -1.712 1.00 0.00 C ATOM 170 CD ARG A 10 27.160 16.564 -2.482 1.00 0.00 C ATOM 171 NE ARG A 10 28.168 17.310 -1.704 1.00 0.00 N ATOM 172 CZ ARG A 10 29.500 17.294 -1.863 1.00 0.00 C ATOM 173 NH1 ARG A 10 30.086 16.573 -2.815 1.00 0.00 N ATOM 174 NH2 ARG A 10 30.257 18.013 -1.039 1.00 0.00 N ATOM 0 H ARG A 10 25.251 12.923 -0.438 1.00 0.00 H new ATOM 0 HA ARG A 10 24.756 15.266 1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.318 16.746 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 10 26.650 16.118 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 10 27.377 14.669 -1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 10 25.869 14.835 -2.342 1.00 0.00 H new ATOM 0 HD2 ARG A 10 27.612 16.209 -3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 10 26.351 17.239 -2.761 1.00 0.00 H new ATOM 0 HE ARG A 10 27.810 17.907 -0.959 1.00 0.00 H new ATOM 0 HH11 ARG A 10 29.520 16.011 -3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 10 31.102 16.582 -2.910 1.00 0.00 H new ATOM 0 HH21 ARG A 10 29.823 18.566 -0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 10 31.271 18.012 -1.146 1.00 0.00 H new ATOM 188 N ASN A 11 22.498 14.710 0.320 1.00 0.00 N ATOM 189 CA ASN A 11 21.107 14.613 -0.164 1.00 0.00 C ATOM 190 C ASN A 11 20.853 15.511 -1.382 1.00 0.00 C ATOM 191 O ASN A 11 20.203 15.090 -2.336 1.00 0.00 O ATOM 192 CB ASN A 11 20.136 15.049 0.954 1.00 0.00 C ATOM 193 CG ASN A 11 18.692 15.159 0.454 1.00 0.00 C ATOM 194 OD1 ASN A 11 18.129 16.245 0.397 1.00 0.00 O ATOM 195 ND2 ASN A 11 18.068 14.058 0.071 1.00 0.00 N ATOM 0 H ASN A 11 22.558 14.790 1.335 1.00 0.00 H new ATOM 0 HA ASN A 11 20.943 13.575 -0.451 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.182 14.331 1.773 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.454 16.011 1.355 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.110 14.109 -0.275 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.545 13.158 0.122 1.00 0.00 H new ATOM 202 N SER A 12 21.387 16.733 -1.320 1.00 0.00 N ATOM 203 CA SER A 12 21.168 17.887 -2.182 1.00 0.00 C ATOM 204 C SER A 12 21.166 17.670 -3.697 1.00 0.00 C ATOM 205 O SER A 12 20.617 18.521 -4.400 1.00 0.00 O ATOM 206 CB SER A 12 22.213 18.944 -1.803 1.00 0.00 C ATOM 207 OG SER A 12 23.486 18.363 -1.561 1.00 0.00 O ATOM 0 H SER A 12 22.055 16.958 -0.583 1.00 0.00 H new ATOM 0 HA SER A 12 20.138 18.191 -1.994 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.295 19.678 -2.605 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.882 19.479 -0.913 1.00 0.00 H new ATOM 0 HG SER A 12 24.127 19.066 -1.324 1.00 0.00 H new ATOM 213 N CYS A 13 21.755 16.592 -4.216 1.00 0.00 N ATOM 214 CA CYS A 13 21.954 16.398 -5.648 1.00 0.00 C ATOM 215 C CYS A 13 21.473 15.012 -6.076 1.00 0.00 C ATOM 216 O CYS A 13 20.408 14.897 -6.687 1.00 0.00 O ATOM 217 CB CYS A 13 23.437 16.648 -6.000 1.00 0.00 C ATOM 218 SG CYS A 13 24.537 15.877 -4.769 1.00 0.00 S ATOM 0 H CYS A 13 22.110 15.823 -3.647 1.00 0.00 H new ATOM 0 HA CYS A 13 21.355 17.118 -6.205 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.653 16.245 -6.989 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.629 17.720 -6.044 1.00 0.00 H new ATOM 0 HG CYS A 13 25.693 15.633 -5.312 1.00 0.00 H new ATOM 224 N ARG A 14 22.241 13.963 -5.751 1.00 0.00 N ATOM 225 CA ARG A 14 22.018 12.615 -6.281 1.00 0.00 C ATOM 226 C ARG A 14 20.630 12.125 -5.852 1.00 0.00 C ATOM 227 O ARG A 14 19.820 11.750 -6.702 1.00 0.00 O ATOM 228 CB ARG A 14 23.155 11.660 -5.853 1.00 0.00 C ATOM 229 CG ARG A 14 24.496 12.078 -6.494 1.00 0.00 C ATOM 230 CD ARG A 14 25.709 11.361 -5.886 1.00 0.00 C ATOM 231 NE ARG A 14 26.472 12.220 -4.950 1.00 0.00 N ATOM 232 CZ ARG A 14 27.400 11.788 -4.080 1.00 0.00 C ATOM 233 NH1 ARG A 14 27.576 10.491 -3.888 1.00 0.00 N ATOM 234 NH2 ARG A 14 28.173 12.638 -3.414 1.00 0.00 N ATOM 0 H ARG A 14 23.034 14.027 -5.113 1.00 0.00 H new ATOM 0 HA ARG A 14 22.039 12.636 -7.371 1.00 0.00 H new ATOM 0 HB2 ARG A 14 23.249 11.664 -4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.909 10.640 -6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 14 24.459 11.872 -7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.625 13.154 -6.381 1.00 0.00 H new ATOM 0 HD2 ARG A 14 25.372 10.468 -5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 14 26.369 11.029 -6.688 1.00 0.00 H new ATOM 0 HE ARG A 14 26.277 13.221 -4.968 1.00 0.00 H new ATOM 0 HH11 ARG A 14 27.007 9.818 -4.401 1.00 0.00 H new ATOM 0 HH12 ARG A 14 28.281 10.164 -3.227 1.00 0.00 H new ATOM 0 HH21 ARG A 14 28.069 13.642 -3.558 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.871 12.286 -2.758 1.00 0.00 H new ATOM 248 N SER A 15 20.325 12.189 -4.550 1.00 0.00 N ATOM 249 CA SER A 15 19.049 11.721 -4.022 1.00 0.00 C ATOM 250 C SER A 15 17.899 12.615 -4.487 1.00 0.00 C ATOM 251 O SER A 15 16.840 12.112 -4.855 1.00 0.00 O ATOM 252 CB SER A 15 19.069 11.712 -2.491 1.00 0.00 C ATOM 253 OG SER A 15 20.341 11.482 -1.932 1.00 0.00 O ATOM 0 H SER A 15 20.955 12.565 -3.841 1.00 0.00 H new ATOM 0 HA SER A 15 18.896 10.709 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.693 12.668 -2.128 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.383 10.943 -2.134 1.00 0.00 H new ATOM 0 HG SER A 15 20.273 11.480 -0.954 1.00 0.00 H new ATOM 259 N GLN A 16 18.100 13.937 -4.460 1.00 0.00 N ATOM 260 CA GLN A 16 17.065 14.917 -4.767 1.00 0.00 C ATOM 261 C GLN A 16 16.517 14.732 -6.185 1.00 0.00 C ATOM 262 O GLN A 16 15.298 14.709 -6.369 1.00 0.00 O ATOM 263 CB GLN A 16 17.648 16.326 -4.566 1.00 0.00 C ATOM 264 CG GLN A 16 17.585 16.764 -3.095 1.00 0.00 C ATOM 265 CD GLN A 16 16.177 17.066 -2.591 1.00 0.00 C ATOM 266 OE1 GLN A 16 15.264 17.370 -3.348 1.00 0.00 O ATOM 267 NE2 GLN A 16 15.974 16.993 -1.293 1.00 0.00 N ATOM 0 H GLN A 16 18.998 14.356 -4.221 1.00 0.00 H new ATOM 0 HA GLN A 16 16.221 14.775 -4.092 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.683 16.343 -4.906 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.098 17.038 -5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.020 15.980 -2.475 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.203 17.652 -2.965 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.741 16.739 -0.670 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.050 17.190 -0.909 1.00 0.00 H new ATOM 276 N MET A 17 17.398 14.549 -7.175 1.00 0.00 N ATOM 277 CA MET A 17 16.970 14.269 -8.541 1.00 0.00 C ATOM 278 C MET A 17 16.234 12.936 -8.618 1.00 0.00 C ATOM 279 O MET A 17 15.159 12.865 -9.217 1.00 0.00 O ATOM 280 CB MET A 17 18.170 14.257 -9.493 1.00 0.00 C ATOM 281 CG MET A 17 18.613 15.678 -9.859 1.00 0.00 C ATOM 282 SD MET A 17 19.538 15.831 -11.414 1.00 0.00 S ATOM 283 CE MET A 17 21.135 15.153 -10.904 1.00 0.00 C ATOM 0 H MET A 17 18.410 14.591 -7.051 1.00 0.00 H new ATOM 0 HA MET A 17 16.287 15.062 -8.845 1.00 0.00 H new ATOM 0 HB2 MET A 17 19.000 13.725 -9.027 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.910 13.711 -10.400 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.728 16.312 -9.919 1.00 0.00 H new ATOM 0 HG3 MET A 17 19.230 16.068 -9.049 1.00 0.00 H new ATOM 0 HE1 MET A 17 21.825 15.174 -11.747 1.00 0.00 H new ATOM 0 HE2 MET A 17 21.541 15.752 -10.088 1.00 0.00 H new ATOM 0 HE3 MET A 17 21.003 14.124 -10.568 1.00 0.00 H new ATOM 293 N ALA A 18 16.786 11.887 -8.000 1.00 0.00 N ATOM 294 CA ALA A 18 16.174 10.569 -8.041 1.00 0.00 C ATOM 295 C ALA A 18 14.750 10.610 -7.482 1.00 0.00 C ATOM 296 O ALA A 18 13.850 9.993 -8.050 1.00 0.00 O ATOM 297 CB ALA A 18 17.046 9.572 -7.278 1.00 0.00 C ATOM 0 H ALA A 18 17.655 11.932 -7.468 1.00 0.00 H new ATOM 0 HA ALA A 18 16.103 10.242 -9.078 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.584 8.585 -7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.033 9.526 -7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.143 9.893 -6.241 1.00 0.00 H new ATOM 303 N GLU A 19 14.532 11.387 -6.417 1.00 0.00 N ATOM 304 CA GLU A 19 13.217 11.534 -5.811 1.00 0.00 C ATOM 305 C GLU A 19 12.229 12.178 -6.785 1.00 0.00 C ATOM 306 O GLU A 19 11.094 11.709 -6.908 1.00 0.00 O ATOM 307 CB GLU A 19 13.312 12.300 -4.475 1.00 0.00 C ATOM 308 CG GLU A 19 11.945 12.848 -4.023 1.00 0.00 C ATOM 309 CD GLU A 19 11.866 13.332 -2.568 1.00 0.00 C ATOM 310 OE1 GLU A 19 12.907 13.475 -1.892 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.723 13.558 -2.110 1.00 0.00 O ATOM 0 H GLU A 19 15.264 11.928 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 19 12.829 10.541 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.709 11.638 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.016 13.125 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.673 13.677 -4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.197 12.069 -4.168 1.00 0.00 H new ATOM 318 N GLY A 20 12.644 13.246 -7.468 1.00 0.00 N ATOM 319 CA GLY A 20 11.752 13.983 -8.347 1.00 0.00 C ATOM 320 C GLY A 20 11.313 13.121 -9.530 1.00 0.00 C ATOM 321 O GLY A 20 10.134 13.137 -9.899 1.00 0.00 O ATOM 0 H GLY A 20 13.594 13.615 -7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.876 14.313 -7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.254 14.879 -8.712 1.00 0.00 H new ATOM 325 N PHE A 21 12.224 12.323 -10.103 1.00 0.00 N ATOM 326 CA PHE A 21 11.842 11.391 -11.157 1.00 0.00 C ATOM 327 C PHE A 21 10.928 10.322 -10.565 1.00 0.00 C ATOM 328 O PHE A 21 9.873 10.066 -11.126 1.00 0.00 O ATOM 329 CB PHE A 21 13.061 10.773 -11.866 1.00 0.00 C ATOM 330 CG PHE A 21 13.949 11.785 -12.568 1.00 0.00 C ATOM 331 CD1 PHE A 21 13.425 12.643 -13.558 1.00 0.00 C ATOM 332 CD2 PHE A 21 15.288 11.932 -12.164 1.00 0.00 C ATOM 333 CE1 PHE A 21 14.194 13.716 -14.036 1.00 0.00 C ATOM 334 CE2 PHE A 21 16.065 12.990 -12.663 1.00 0.00 C ATOM 335 CZ PHE A 21 15.497 13.905 -13.563 1.00 0.00 C ATOM 0 H PHE A 21 13.213 12.307 -9.856 1.00 0.00 H new ATOM 0 HA PHE A 21 11.302 11.940 -11.929 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.657 10.229 -11.133 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.712 10.044 -12.597 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.432 12.474 -13.948 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.720 11.229 -11.468 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.780 14.394 -14.768 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.095 13.099 -12.356 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.069 14.760 -13.892 1.00 0.00 H new ATOM 345 N ALA A 22 11.266 9.737 -9.415 1.00 0.00 N ATOM 346 CA ALA A 22 10.529 8.620 -8.837 1.00 0.00 C ATOM 347 C ALA A 22 9.065 8.948 -8.598 1.00 0.00 C ATOM 348 O ALA A 22 8.212 8.140 -8.963 1.00 0.00 O ATOM 349 CB ALA A 22 11.213 8.171 -7.549 1.00 0.00 C ATOM 0 H ALA A 22 12.067 10.030 -8.856 1.00 0.00 H new ATOM 0 HA ALA A 22 10.541 7.801 -9.557 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.662 7.336 -7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.233 7.858 -7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.233 8.999 -6.840 1.00 0.00 H new ATOM 355 N LYS A 23 8.737 10.126 -8.056 1.00 0.00 N ATOM 356 CA LYS A 23 7.332 10.488 -7.938 1.00 0.00 C ATOM 357 C LYS A 23 6.712 10.719 -9.304 1.00 0.00 C ATOM 358 O LYS A 23 5.592 10.293 -9.524 1.00 0.00 O ATOM 359 CB LYS A 23 7.070 11.657 -6.985 1.00 0.00 C ATOM 360 CG LYS A 23 7.781 12.974 -7.326 1.00 0.00 C ATOM 361 CD LYS A 23 7.731 13.934 -6.130 1.00 0.00 C ATOM 362 CE LYS A 23 8.621 13.416 -4.999 1.00 0.00 C ATOM 363 NZ LYS A 23 8.794 14.407 -3.909 1.00 0.00 N ATOM 0 H LYS A 23 9.400 10.817 -7.706 1.00 0.00 H new ATOM 0 HA LYS A 23 6.838 9.632 -7.478 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.996 11.843 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.368 11.355 -5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.818 12.775 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.308 13.437 -8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.061 14.926 -6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.704 14.034 -5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.188 12.503 -4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.598 13.152 -5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.274 13.957 -3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.367 15.204 -4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.862 14.755 -3.606 1.00 0.00 H new ATOM 377 N THR A 24 7.401 11.320 -10.261 1.00 0.00 N ATOM 378 CA THR A 24 6.757 11.576 -11.528 1.00 0.00 C ATOM 379 C THR A 24 6.451 10.257 -12.252 1.00 0.00 C ATOM 380 O THR A 24 5.368 10.068 -12.808 1.00 0.00 O ATOM 381 CB THR A 24 7.694 12.472 -12.349 1.00 0.00 C ATOM 382 OG1 THR A 24 8.014 13.651 -11.633 1.00 0.00 O ATOM 383 CG2 THR A 24 7.038 12.850 -13.669 1.00 0.00 C ATOM 0 H THR A 24 8.371 11.628 -10.187 1.00 0.00 H new ATOM 0 HA THR A 24 5.801 12.080 -11.384 1.00 0.00 H new ATOM 0 HB THR A 24 8.610 11.914 -12.543 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.758 13.471 -11.022 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.713 13.486 -14.242 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.819 11.947 -14.239 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.111 13.389 -13.473 1.00 0.00 H new ATOM 391 N LEU A 25 7.420 9.345 -12.232 1.00 0.00 N ATOM 392 CA LEU A 25 7.401 8.096 -12.961 1.00 0.00 C ATOM 393 C LEU A 25 6.503 7.074 -12.278 1.00 0.00 C ATOM 394 O LEU A 25 5.818 6.310 -12.959 1.00 0.00 O ATOM 395 CB LEU A 25 8.831 7.542 -13.021 1.00 0.00 C ATOM 396 CG LEU A 25 9.827 8.407 -13.815 1.00 0.00 C ATOM 397 CD1 LEU A 25 11.221 7.841 -13.564 1.00 0.00 C ATOM 398 CD2 LEU A 25 9.511 8.409 -15.312 1.00 0.00 C ATOM 0 H LEU A 25 8.271 9.469 -11.683 1.00 0.00 H new ATOM 0 HA LEU A 25 7.012 8.281 -13.962 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.203 7.426 -12.003 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.802 6.547 -13.465 1.00 0.00 H new ATOM 0 HG LEU A 25 9.760 9.443 -13.483 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.957 8.430 -14.112 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.444 7.883 -12.498 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.260 6.806 -13.903 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.237 9.031 -15.836 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.562 7.390 -15.696 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.509 8.808 -15.472 1.00 0.00 H new ATOM 410 N GLY A 26 6.515 7.063 -10.942 1.00 0.00 N ATOM 411 CA GLY A 26 5.894 6.006 -10.160 1.00 0.00 C ATOM 412 C GLY A 26 4.944 6.420 -9.043 1.00 0.00 C ATOM 413 O GLY A 26 4.409 5.508 -8.408 1.00 0.00 O ATOM 0 H GLY A 26 6.957 7.789 -10.378 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.346 5.359 -10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.688 5.403 -9.719 1.00 0.00 H new ATOM 417 N ALA A 27 4.689 7.710 -8.780 1.00 0.00 N ATOM 418 CA ALA A 27 3.620 8.113 -7.864 1.00 0.00 C ATOM 419 C ALA A 27 2.297 7.515 -8.364 1.00 0.00 C ATOM 420 O ALA A 27 1.759 7.945 -9.388 1.00 0.00 O ATOM 421 CB ALA A 27 3.548 9.642 -7.682 1.00 0.00 C ATOM 0 H ALA A 27 5.208 8.487 -9.189 1.00 0.00 H new ATOM 0 HA ALA A 27 3.833 7.722 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.739 9.889 -6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.493 10.005 -7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.361 10.115 -8.646 1.00 0.00 H new ATOM 427 N GLY A 28 1.821 6.480 -7.667 1.00 0.00 N ATOM 428 CA GLY A 28 0.707 5.631 -8.082 1.00 0.00 C ATOM 429 C GLY A 28 0.966 4.160 -7.734 1.00 0.00 C ATOM 430 O GLY A 28 0.022 3.438 -7.411 1.00 0.00 O ATOM 0 H GLY A 28 2.216 6.203 -6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.209 5.966 -7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.552 5.731 -9.156 1.00 0.00 H new ATOM 434 N LYS A 29 2.238 3.728 -7.720 1.00 0.00 N ATOM 435 CA LYS A 29 2.667 2.419 -7.206 1.00 0.00 C ATOM 436 C LYS A 29 3.715 2.568 -6.111 1.00 0.00 C ATOM 437 O LYS A 29 3.828 1.688 -5.256 1.00 0.00 O ATOM 438 CB LYS A 29 3.183 1.496 -8.328 1.00 0.00 C ATOM 439 CG LYS A 29 4.533 1.893 -8.964 1.00 0.00 C ATOM 440 CD LYS A 29 4.416 2.741 -10.226 1.00 0.00 C ATOM 441 CE LYS A 29 4.022 1.861 -11.422 1.00 0.00 C ATOM 442 NZ LYS A 29 3.930 2.626 -12.692 1.00 0.00 N ATOM 0 H LYS A 29 3.012 4.291 -8.073 1.00 0.00 H new ATOM 0 HA LYS A 29 1.784 1.949 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.276 0.487 -7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.430 1.458 -9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.119 2.441 -8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.088 0.986 -9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.671 3.523 -10.080 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.365 3.238 -10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.754 1.062 -11.536 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.062 1.387 -11.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.661 1.984 -13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.212 3.373 -12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.852 3.058 -12.905 1.00 0.00 H new ATOM 456 N ILE A 30 4.446 3.683 -6.113 1.00 0.00 N ATOM 457 CA ILE A 30 5.429 3.996 -5.095 1.00 0.00 C ATOM 458 C ILE A 30 5.166 5.358 -4.474 1.00 0.00 C ATOM 459 O ILE A 30 4.522 6.222 -5.072 1.00 0.00 O ATOM 460 CB ILE A 30 6.870 3.916 -5.649 1.00 0.00 C ATOM 461 CG1 ILE A 30 7.119 4.800 -6.890 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.258 2.466 -5.959 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.597 5.137 -7.124 1.00 0.00 C ATOM 0 H ILE A 30 4.365 4.399 -6.835 1.00 0.00 H new ATOM 0 HA ILE A 30 5.332 3.243 -4.313 1.00 0.00 H new ATOM 0 HB ILE A 30 7.504 4.310 -4.855 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.728 4.291 -7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.557 5.728 -6.782 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.276 2.437 -6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.200 1.871 -5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.574 2.057 -6.703 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.692 5.760 -8.013 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.989 5.675 -6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.162 4.216 -7.265 1.00 0.00 H new ATOM 475 N ALA A 31 5.717 5.533 -3.278 1.00 0.00 N ATOM 476 CA ALA A 31 5.814 6.789 -2.563 1.00 0.00 C ATOM 477 C ALA A 31 7.293 6.935 -2.232 1.00 0.00 C ATOM 478 O ALA A 31 7.911 5.984 -1.747 1.00 0.00 O ATOM 479 CB ALA A 31 4.956 6.742 -1.296 1.00 0.00 C ATOM 0 H ALA A 31 6.128 4.758 -2.758 1.00 0.00 H new ATOM 0 HA ALA A 31 5.451 7.636 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.037 7.691 -0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.915 6.565 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.304 5.936 -0.650 1.00 0.00 H new ATOM 485 N VAL A 32 7.870 8.096 -2.523 1.00 0.00 N ATOM 486 CA VAL A 32 9.294 8.320 -2.430 1.00 0.00 C ATOM 487 C VAL A 32 9.627 9.398 -1.401 1.00 0.00 C ATOM 488 O VAL A 32 8.831 10.307 -1.156 1.00 0.00 O ATOM 489 CB VAL A 32 9.771 8.718 -3.835 1.00 0.00 C ATOM 490 CG1 VAL A 32 8.981 9.853 -4.498 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.256 9.075 -3.803 1.00 0.00 C ATOM 0 H VAL A 32 7.347 8.915 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 32 9.803 7.418 -2.090 1.00 0.00 H new ATOM 0 HB VAL A 32 9.591 7.839 -4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.397 10.057 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.936 9.559 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.048 10.750 -3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.584 9.356 -4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.415 9.911 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.830 8.214 -3.461 1.00 0.00 H new ATOM 501 N THR A 33 10.819 9.315 -0.811 1.00 0.00 N ATOM 502 CA THR A 33 11.413 10.366 -0.013 1.00 0.00 C ATOM 503 C THR A 33 12.925 10.180 -0.156 1.00 0.00 C ATOM 504 O THR A 33 13.410 9.051 -0.126 1.00 0.00 O ATOM 505 CB THR A 33 10.929 10.263 1.443 1.00 0.00 C ATOM 506 OG1 THR A 33 9.525 10.446 1.509 1.00 0.00 O ATOM 507 CG2 THR A 33 11.580 11.300 2.360 1.00 0.00 C ATOM 0 H THR A 33 11.409 8.486 -0.883 1.00 0.00 H new ATOM 0 HA THR A 33 11.126 11.365 -0.343 1.00 0.00 H new ATOM 0 HB THR A 33 11.214 9.268 1.785 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.167 10.562 0.604 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.200 11.179 3.374 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.661 11.160 2.358 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.344 12.302 2.002 1.00 0.00 H new ATOM 515 N SER A 34 13.683 11.249 -0.371 1.00 0.00 N ATOM 516 CA SER A 34 15.131 11.200 -0.296 1.00 0.00 C ATOM 517 C SER A 34 15.595 11.686 1.077 1.00 0.00 C ATOM 518 O SER A 34 14.859 12.378 1.788 1.00 0.00 O ATOM 519 CB SER A 34 15.752 12.024 -1.425 1.00 0.00 C ATOM 520 OG SER A 34 15.428 13.398 -1.375 1.00 0.00 O ATOM 0 H SER A 34 13.309 12.170 -0.601 1.00 0.00 H new ATOM 0 HA SER A 34 15.465 10.170 -0.421 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.836 11.915 -1.388 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.423 11.618 -2.382 1.00 0.00 H new ATOM 0 HG SER A 34 14.591 13.555 -1.860 1.00 0.00 H new ATOM 526 N CYS A 35 16.834 11.359 1.441 1.00 0.00 N ATOM 527 CA CYS A 35 17.500 11.913 2.597 1.00 0.00 C ATOM 528 C CYS A 35 19.003 11.890 2.307 1.00 0.00 C ATOM 529 O CYS A 35 19.422 11.706 1.154 1.00 0.00 O ATOM 530 CB CYS A 35 17.083 11.158 3.871 1.00 0.00 C ATOM 531 SG CYS A 35 17.780 9.486 3.922 1.00 0.00 S ATOM 0 H CYS A 35 17.405 10.689 0.925 1.00 0.00 H new ATOM 0 HA CYS A 35 17.210 12.947 2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.412 11.716 4.748 1.00 0.00 H new ATOM 0 HB3 CYS A 35 15.996 11.100 3.920 1.00 0.00 H new ATOM 0 HG CYS A 35 16.903 8.636 3.476 1.00 0.00 H new ATOM 537 N GLY A 36 19.831 12.079 3.325 1.00 0.00 N ATOM 538 CA GLY A 36 21.257 11.868 3.208 1.00 0.00 C ATOM 539 C GLY A 36 21.888 11.764 4.580 1.00 0.00 C ATOM 540 O GLY A 36 21.256 12.120 5.578 1.00 0.00 O ATOM 0 H GLY A 36 19.529 12.382 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.451 10.957 2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.709 12.691 2.654 1.00 0.00 H new ATOM 544 N LEU A 37 23.133 11.280 4.613 1.00 0.00 N ATOM 545 CA LEU A 37 23.911 11.114 5.843 1.00 0.00 C ATOM 546 C LEU A 37 23.992 12.439 6.610 1.00 0.00 C ATOM 547 O LEU A 37 24.045 12.447 7.839 1.00 0.00 O ATOM 548 CB LEU A 37 25.315 10.560 5.545 1.00 0.00 C ATOM 549 CG LEU A 37 25.344 9.201 4.815 1.00 0.00 C ATOM 550 CD1 LEU A 37 26.790 8.711 4.694 1.00 0.00 C ATOM 551 CD2 LEU A 37 24.509 8.123 5.517 1.00 0.00 C ATOM 0 H LEU A 37 23.635 10.989 3.774 1.00 0.00 H new ATOM 0 HA LEU A 37 23.399 10.386 6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 37 25.856 11.290 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 37 25.856 10.460 6.486 1.00 0.00 H new ATOM 0 HG LEU A 37 24.904 9.365 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 37 26.807 7.751 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 37 27.374 9.437 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 37 27.220 8.596 5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 37 24.570 7.191 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.893 7.964 6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 37 23.469 8.446 5.571 1.00 0.00 H new ATOM 563 N GLU A 38 23.968 13.550 5.875 1.00 0.00 N ATOM 564 CA GLU A 38 23.802 14.902 6.368 1.00 0.00 C ATOM 565 C GLU A 38 23.076 15.639 5.240 1.00 0.00 C ATOM 566 O GLU A 38 23.266 15.330 4.055 1.00 0.00 O ATOM 567 CB GLU A 38 25.161 15.536 6.692 1.00 0.00 C ATOM 568 CG GLU A 38 25.022 16.853 7.468 1.00 0.00 C ATOM 569 CD GLU A 38 26.396 17.408 7.887 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.056 18.099 7.078 1.00 0.00 O ATOM 571 OE2 GLU A 38 26.827 17.174 9.040 1.00 0.00 O ATOM 0 H GLU A 38 24.071 13.520 4.861 1.00 0.00 H new ATOM 0 HA GLU A 38 23.237 14.943 7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.756 14.834 7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.704 15.719 5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.504 17.587 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.408 16.692 8.354 1.00 0.00 H new ATOM 578 N SER A 39 22.215 16.581 5.605 1.00 0.00 N ATOM 579 CA SER A 39 21.441 17.376 4.660 1.00 0.00 C ATOM 580 C SER A 39 22.201 18.648 4.252 1.00 0.00 C ATOM 581 O SER A 39 22.982 19.204 5.032 1.00 0.00 O ATOM 582 CB SER A 39 20.078 17.707 5.289 1.00 0.00 C ATOM 583 OG SER A 39 20.204 18.061 6.660 1.00 0.00 O ATOM 0 H SER A 39 22.032 16.817 6.580 1.00 0.00 H new ATOM 0 HA SER A 39 21.281 16.803 3.747 1.00 0.00 H new ATOM 0 HB2 SER A 39 19.615 18.528 4.742 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.415 16.847 5.195 1.00 0.00 H new ATOM 0 HG SER A 39 19.319 18.267 7.027 1.00 0.00 H new ATOM 589 N SER A 40 21.906 19.133 3.044 1.00 0.00 N ATOM 590 CA SER A 40 22.335 20.413 2.488 1.00 0.00 C ATOM 591 C SER A 40 21.201 20.885 1.572 1.00 0.00 C ATOM 592 O SER A 40 20.437 20.047 1.080 1.00 0.00 O ATOM 593 CB SER A 40 23.631 20.235 1.680 1.00 0.00 C ATOM 594 OG SER A 40 24.691 19.721 2.473 1.00 0.00 O ATOM 0 H SER A 40 21.325 18.608 2.390 1.00 0.00 H new ATOM 0 HA SER A 40 22.538 21.139 3.275 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.446 19.561 0.843 1.00 0.00 H new ATOM 0 HB3 SER A 40 23.928 21.195 1.257 1.00 0.00 H new ATOM 0 HG SER A 40 25.494 19.622 1.921 1.00 0.00 H new ATOM 600 N ARG A 41 21.065 22.195 1.332 1.00 0.00 N ATOM 601 CA ARG A 41 20.019 22.737 0.459 1.00 0.00 C ATOM 602 C ARG A 41 20.141 22.122 -0.934 1.00 0.00 C ATOM 603 O ARG A 41 21.246 21.804 -1.376 1.00 0.00 O ATOM 604 CB ARG A 41 20.106 24.273 0.384 1.00 0.00 C ATOM 605 CG ARG A 41 19.791 24.948 1.731 1.00 0.00 C ATOM 606 CD ARG A 41 19.771 26.479 1.622 1.00 0.00 C ATOM 607 NE ARG A 41 21.102 27.041 1.316 1.00 0.00 N ATOM 608 CZ ARG A 41 21.350 28.312 0.971 1.00 0.00 C ATOM 609 NH1 ARG A 41 20.360 29.198 0.882 1.00 0.00 N ATOM 610 NH2 ARG A 41 22.598 28.694 0.718 1.00 0.00 N ATOM 0 H ARG A 41 21.675 22.906 1.736 1.00 0.00 H new ATOM 0 HA ARG A 41 19.046 22.479 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.107 24.562 0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 41 19.410 24.637 -0.372 1.00 0.00 H new ATOM 0 HG2 ARG A 41 18.824 24.599 2.093 1.00 0.00 H new ATOM 0 HG3 ARG A 41 20.535 24.648 2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.067 26.776 0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 41 19.408 26.902 2.559 1.00 0.00 H new ATOM 0 HE ARG A 41 21.900 26.408 1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.401 28.912 1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 41 20.561 30.163 0.619 1.00 0.00 H new ATOM 0 HH21 ARG A 41 23.361 28.021 0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 41 22.792 29.660 0.455 1.00 0.00 H new ATOM 624 N VAL A 42 19.008 21.966 -1.617 1.00 0.00 N ATOM 625 CA VAL A 42 18.946 21.335 -2.933 1.00 0.00 C ATOM 626 C VAL A 42 19.863 22.120 -3.878 1.00 0.00 C ATOM 627 O VAL A 42 19.803 23.353 -3.921 1.00 0.00 O ATOM 628 CB VAL A 42 17.492 21.257 -3.450 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.437 20.450 -4.754 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.543 20.606 -2.425 1.00 0.00 C ATOM 0 H VAL A 42 18.101 22.277 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 42 19.293 20.303 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 42 17.162 22.282 -3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.408 20.402 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.058 20.934 -5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.806 19.440 -4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.533 20.574 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 42 16.880 19.592 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.544 21.191 -1.505 1.00 0.00 H new ATOM 640 N HIS A 43 20.733 21.414 -4.603 1.00 0.00 N ATOM 641 CA HIS A 43 21.699 22.023 -5.505 1.00 0.00 C ATOM 642 C HIS A 43 20.932 22.690 -6.658 1.00 0.00 C ATOM 643 O HIS A 43 20.022 22.060 -7.193 1.00 0.00 O ATOM 644 CB HIS A 43 22.673 20.929 -5.963 1.00 0.00 C ATOM 645 CG HIS A 43 23.965 21.481 -6.498 1.00 0.00 C ATOM 646 ND1 HIS A 43 24.267 21.711 -7.817 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.048 21.880 -5.761 1.00 0.00 C ATOM 648 CE1 HIS A 43 25.506 22.225 -7.876 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.030 22.346 -6.645 1.00 0.00 N ATOM 0 H HIS A 43 20.783 20.396 -4.577 1.00 0.00 H new ATOM 0 HA HIS A 43 22.290 22.803 -5.025 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.887 20.266 -5.125 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.195 20.324 -6.734 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.131 21.842 -4.685 1.00 0.00 H new ATOM 0 HE1 HIS A 43 26.012 22.503 -8.789 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.954 22.704 -6.403 1.00 0.00 H new ATOM 657 N PRO A 44 21.272 23.915 -7.098 1.00 0.00 N ATOM 658 CA PRO A 44 20.426 24.678 -8.014 1.00 0.00 C ATOM 659 C PRO A 44 20.369 24.089 -9.418 1.00 0.00 C ATOM 660 O PRO A 44 19.298 24.012 -10.018 1.00 0.00 O ATOM 661 CB PRO A 44 20.999 26.098 -7.992 1.00 0.00 C ATOM 662 CG PRO A 44 22.481 25.894 -7.668 1.00 0.00 C ATOM 663 CD PRO A 44 22.508 24.628 -6.809 1.00 0.00 C ATOM 0 HA PRO A 44 19.384 24.657 -7.695 1.00 0.00 H new ATOM 0 HB2 PRO A 44 20.865 26.597 -8.952 1.00 0.00 H new ATOM 0 HB3 PRO A 44 20.507 26.715 -7.240 1.00 0.00 H new ATOM 0 HG2 PRO A 44 23.074 25.772 -8.575 1.00 0.00 H new ATOM 0 HG3 PRO A 44 22.892 26.749 -7.131 1.00 0.00 H new ATOM 0 HD2 PRO A 44 23.376 24.014 -7.048 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.575 24.877 -5.750 1.00 0.00 H new ATOM 671 N THR A 45 21.491 23.609 -9.942 1.00 0.00 N ATOM 672 CA THR A 45 21.543 23.047 -11.283 1.00 0.00 C ATOM 673 C THR A 45 20.758 21.727 -11.381 1.00 0.00 C ATOM 674 O THR A 45 20.354 21.325 -12.474 1.00 0.00 O ATOM 675 CB THR A 45 23.028 22.887 -11.642 1.00 0.00 C ATOM 676 OG1 THR A 45 23.765 24.041 -11.267 1.00 0.00 O ATOM 677 CG2 THR A 45 23.305 22.557 -13.106 1.00 0.00 C ATOM 0 H THR A 45 22.385 23.599 -9.451 1.00 0.00 H new ATOM 0 HA THR A 45 21.059 23.709 -12.001 1.00 0.00 H new ATOM 0 HB THR A 45 23.357 22.019 -11.071 1.00 0.00 H new ATOM 0 HG1 THR A 45 24.708 23.918 -11.503 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.380 22.464 -13.261 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.818 21.617 -13.366 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.915 23.354 -13.739 1.00 0.00 H new ATOM 685 N ALA A 46 20.463 21.085 -10.242 1.00 0.00 N ATOM 686 CA ALA A 46 19.575 19.935 -10.206 1.00 0.00 C ATOM 687 C ALA A 46 18.205 20.317 -10.749 1.00 0.00 C ATOM 688 O ALA A 46 17.606 19.550 -11.503 1.00 0.00 O ATOM 689 CB ALA A 46 19.408 19.468 -8.762 1.00 0.00 C ATOM 0 H ALA A 46 20.835 21.353 -9.331 1.00 0.00 H new ATOM 0 HA ALA A 46 20.005 19.140 -10.815 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.742 18.605 -8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.380 19.190 -8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.982 20.275 -8.166 1.00 0.00 H new ATOM 695 N ILE A 47 17.708 21.507 -10.386 1.00 0.00 N ATOM 696 CA ILE A 47 16.410 21.940 -10.818 1.00 0.00 C ATOM 697 C ILE A 47 16.423 22.038 -12.342 1.00 0.00 C ATOM 698 O ILE A 47 15.492 21.558 -12.975 1.00 0.00 O ATOM 699 CB ILE A 47 16.029 23.257 -10.112 1.00 0.00 C ATOM 700 CG1 ILE A 47 15.819 23.024 -8.603 1.00 0.00 C ATOM 701 CG2 ILE A 47 14.737 23.817 -10.700 1.00 0.00 C ATOM 702 CD1 ILE A 47 17.034 23.401 -7.763 1.00 0.00 C ATOM 0 H ILE A 47 18.201 22.175 -9.793 1.00 0.00 H new ATOM 0 HA ILE A 47 15.636 21.224 -10.540 1.00 0.00 H new ATOM 0 HB ILE A 47 16.845 23.964 -10.263 1.00 0.00 H new ATOM 0 HG12 ILE A 47 14.959 23.605 -8.268 1.00 0.00 H new ATOM 0 HG13 ILE A 47 15.580 21.974 -8.434 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.479 24.747 -10.193 1.00 0.00 H new ATOM 0 HG22 ILE A 47 14.875 24.010 -11.764 1.00 0.00 H new ATOM 0 HG23 ILE A 47 13.932 23.094 -10.564 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.821 23.213 -6.711 1.00 0.00 H new ATOM 0 HD12 ILE A 47 17.890 22.802 -8.073 1.00 0.00 H new ATOM 0 HD13 ILE A 47 17.260 24.458 -7.904 1.00 0.00 H new ATOM 714 N ALA A 48 17.495 22.577 -12.931 1.00 0.00 N ATOM 715 CA ALA A 48 17.589 22.764 -14.366 1.00 0.00 C ATOM 716 C ALA A 48 17.491 21.445 -15.132 1.00 0.00 C ATOM 717 O ALA A 48 16.840 21.389 -16.171 1.00 0.00 O ATOM 718 CB ALA A 48 18.881 23.501 -14.722 1.00 0.00 C ATOM 0 H ALA A 48 18.318 22.893 -12.418 1.00 0.00 H new ATOM 0 HA ALA A 48 16.737 23.371 -14.670 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.938 23.634 -15.802 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.890 24.476 -14.235 1.00 0.00 H new ATOM 0 HB3 ALA A 48 19.738 22.918 -14.383 1.00 0.00 H new ATOM 724 N MET A 49 18.099 20.378 -14.612 1.00 0.00 N ATOM 725 CA MET A 49 18.018 19.047 -15.214 1.00 0.00 C ATOM 726 C MET A 49 16.578 18.539 -15.247 1.00 0.00 C ATOM 727 O MET A 49 16.070 18.025 -16.254 1.00 0.00 O ATOM 728 CB MET A 49 18.885 18.073 -14.401 1.00 0.00 C ATOM 729 CG MET A 49 20.357 18.229 -14.740 1.00 0.00 C ATOM 730 SD MET A 49 20.713 17.938 -16.497 1.00 0.00 S ATOM 731 CE MET A 49 21.546 19.483 -16.978 1.00 0.00 C ATOM 0 H MET A 49 18.661 20.412 -13.762 1.00 0.00 H new ATOM 0 HA MET A 49 18.379 19.110 -16.241 1.00 0.00 H new ATOM 0 HB2 MET A 49 18.734 18.251 -13.336 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.570 17.049 -14.601 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.682 19.234 -14.470 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.939 17.533 -14.136 1.00 0.00 H new ATOM 0 HE1 MET A 49 21.365 19.680 -18.034 1.00 0.00 H new ATOM 0 HE2 MET A 49 21.155 20.308 -16.382 1.00 0.00 H new ATOM 0 HE3 MET A 49 22.618 19.387 -16.806 1.00 0.00 H new ATOM 741 N MET A 50 15.918 18.675 -14.109 1.00 0.00 N ATOM 742 CA MET A 50 14.562 18.214 -13.944 1.00 0.00 C ATOM 743 C MET A 50 13.629 19.085 -14.771 1.00 0.00 C ATOM 744 O MET A 50 12.713 18.547 -15.381 1.00 0.00 O ATOM 745 CB MET A 50 14.243 18.164 -12.449 1.00 0.00 C ATOM 746 CG MET A 50 15.175 17.116 -11.814 1.00 0.00 C ATOM 747 SD MET A 50 14.455 16.129 -10.486 1.00 0.00 S ATOM 748 CE MET A 50 13.218 15.213 -11.404 1.00 0.00 C ATOM 0 H MET A 50 16.314 19.110 -13.276 1.00 0.00 H new ATOM 0 HA MET A 50 14.422 17.201 -14.320 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.396 19.141 -11.991 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.199 17.897 -12.288 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.519 16.441 -12.598 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.055 17.628 -11.425 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.243 15.349 -10.936 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.182 15.578 -12.430 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.476 14.154 -11.405 1.00 0.00 H new ATOM 758 N GLU A 51 13.921 20.376 -14.921 1.00 0.00 N ATOM 759 CA GLU A 51 13.203 21.270 -15.813 1.00 0.00 C ATOM 760 C GLU A 51 13.328 20.815 -17.267 1.00 0.00 C ATOM 761 O GLU A 51 12.389 21.016 -18.037 1.00 0.00 O ATOM 762 CB GLU A 51 13.717 22.707 -15.648 1.00 0.00 C ATOM 763 CG GLU A 51 13.066 23.431 -14.462 1.00 0.00 C ATOM 764 CD GLU A 51 13.449 24.923 -14.430 1.00 0.00 C ATOM 765 OE1 GLU A 51 14.642 25.259 -14.257 1.00 0.00 O ATOM 766 OE2 GLU A 51 12.549 25.782 -14.578 1.00 0.00 O ATOM 0 H GLU A 51 14.679 20.834 -14.414 1.00 0.00 H new ATOM 0 HA GLU A 51 12.146 21.243 -15.547 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.798 22.689 -15.510 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.522 23.267 -16.563 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.982 23.334 -14.526 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.374 22.955 -13.531 1.00 0.00 H new ATOM 773 N GLU A 52 14.434 20.160 -17.644 1.00 0.00 N ATOM 774 CA GLU A 52 14.557 19.580 -18.976 1.00 0.00 C ATOM 775 C GLU A 52 13.539 18.459 -19.162 1.00 0.00 C ATOM 776 O GLU A 52 12.948 18.333 -20.237 1.00 0.00 O ATOM 777 CB GLU A 52 15.953 19.025 -19.295 1.00 0.00 C ATOM 778 CG GLU A 52 17.110 19.990 -19.011 1.00 0.00 C ATOM 779 CD GLU A 52 18.273 19.811 -19.999 1.00 0.00 C ATOM 780 OE1 GLU A 52 19.078 18.861 -19.852 1.00 0.00 O ATOM 781 OE2 GLU A 52 18.398 20.630 -20.936 1.00 0.00 O ATOM 0 H GLU A 52 15.248 20.022 -17.045 1.00 0.00 H new ATOM 0 HA GLU A 52 14.371 20.404 -19.665 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.107 18.115 -18.716 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.984 18.742 -20.347 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.746 21.016 -19.064 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.471 19.832 -17.995 1.00 0.00 H new ATOM 788 N VAL A 53 13.323 17.653 -18.117 1.00 0.00 N ATOM 789 CA VAL A 53 12.342 16.564 -18.188 1.00 0.00 C ATOM 790 C VAL A 53 10.906 17.103 -18.014 1.00 0.00 C ATOM 791 O VAL A 53 9.957 16.488 -18.504 1.00 0.00 O ATOM 792 CB VAL A 53 12.733 15.453 -17.192 1.00 0.00 C ATOM 793 CG1 VAL A 53 11.783 14.246 -17.217 1.00 0.00 C ATOM 794 CG2 VAL A 53 14.143 14.933 -17.530 1.00 0.00 C ATOM 0 H VAL A 53 13.807 17.732 -17.223 1.00 0.00 H new ATOM 0 HA VAL A 53 12.352 16.109 -19.178 1.00 0.00 H new ATOM 0 HB VAL A 53 12.684 15.906 -16.202 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.118 13.504 -16.492 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.774 14.572 -16.963 1.00 0.00 H new ATOM 0 HG13 VAL A 53 11.782 13.805 -18.214 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.420 14.148 -16.826 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.149 14.531 -18.543 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.859 15.752 -17.460 1.00 0.00 H new ATOM 804 N GLY A 54 10.737 18.267 -17.378 1.00 0.00 N ATOM 805 CA GLY A 54 9.449 18.915 -17.139 1.00 0.00 C ATOM 806 C GLY A 54 9.033 18.841 -15.667 1.00 0.00 C ATOM 807 O GLY A 54 7.837 18.843 -15.371 1.00 0.00 O ATOM 0 H GLY A 54 11.522 18.800 -17.004 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.506 19.959 -17.447 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.685 18.441 -17.756 1.00 0.00 H new ATOM 811 N ILE A 55 10.002 18.730 -14.753 1.00 0.00 N ATOM 812 CA ILE A 55 9.802 18.567 -13.311 1.00 0.00 C ATOM 813 C ILE A 55 10.577 19.702 -12.598 1.00 0.00 C ATOM 814 O ILE A 55 11.251 20.505 -13.244 1.00 0.00 O ATOM 815 CB ILE A 55 10.230 17.126 -12.908 1.00 0.00 C ATOM 816 CG1 ILE A 55 9.577 16.012 -13.769 1.00 0.00 C ATOM 817 CG2 ILE A 55 9.929 16.807 -11.427 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.483 14.782 -13.857 1.00 0.00 C ATOM 0 H ILE A 55 10.989 18.752 -15.010 1.00 0.00 H new ATOM 0 HA ILE A 55 8.759 18.660 -13.008 1.00 0.00 H new ATOM 0 HB ILE A 55 11.306 17.124 -13.083 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.617 15.730 -13.337 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.377 16.392 -14.771 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.248 15.789 -11.202 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.468 17.506 -10.787 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.858 16.900 -11.245 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.001 14.018 -14.466 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.433 15.062 -14.312 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.661 14.389 -12.856 1.00 0.00 H new ATOM 830 N ASP A 56 10.488 19.795 -11.271 1.00 0.00 N ATOM 831 CA ASP A 56 11.169 20.780 -10.426 1.00 0.00 C ATOM 832 C ASP A 56 11.638 20.085 -9.148 1.00 0.00 C ATOM 833 O ASP A 56 11.063 19.067 -8.755 1.00 0.00 O ATOM 834 CB ASP A 56 10.198 21.910 -10.046 1.00 0.00 C ATOM 835 CG ASP A 56 10.748 22.789 -8.906 1.00 0.00 C ATOM 836 OD1 ASP A 56 11.867 23.334 -9.050 1.00 0.00 O ATOM 837 OD2 ASP A 56 10.114 22.856 -7.830 1.00 0.00 O ATOM 0 H ASP A 56 9.910 19.154 -10.728 1.00 0.00 H new ATOM 0 HA ASP A 56 12.015 21.200 -10.969 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.005 22.531 -10.921 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.243 21.480 -9.743 1.00 0.00 H new ATOM 842 N ILE A 57 12.640 20.662 -8.481 1.00 0.00 N ATOM 843 CA ILE A 57 13.080 20.237 -7.160 1.00 0.00 C ATOM 844 C ILE A 57 13.156 21.394 -6.151 1.00 0.00 C ATOM 845 O ILE A 57 13.122 21.139 -4.946 1.00 0.00 O ATOM 846 CB ILE A 57 14.421 19.486 -7.224 1.00 0.00 C ATOM 847 CG1 ILE A 57 14.807 18.836 -8.563 1.00 0.00 C ATOM 848 CG2 ILE A 57 14.384 18.404 -6.144 1.00 0.00 C ATOM 849 CD1 ILE A 57 16.183 18.176 -8.455 1.00 0.00 C ATOM 0 H ILE A 57 13.173 21.448 -8.853 1.00 0.00 H new ATOM 0 HA ILE A 57 12.315 19.549 -6.799 1.00 0.00 H new ATOM 0 HB ILE A 57 15.186 20.248 -7.078 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.060 18.093 -8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.818 19.589 -9.351 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.320 17.846 -6.156 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.251 18.869 -5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.554 17.724 -6.338 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.444 17.720 -9.410 1.00 0.00 H new ATOM 0 HD12 ILE A 57 16.928 18.928 -8.197 1.00 0.00 H new ATOM 0 HD13 ILE A 57 16.159 17.409 -7.681 1.00 0.00 H new ATOM 861 N SER A 58 13.234 22.649 -6.603 1.00 0.00 N ATOM 862 CA SER A 58 13.358 23.814 -5.724 1.00 0.00 C ATOM 863 C SER A 58 12.281 23.838 -4.625 1.00 0.00 C ATOM 864 O SER A 58 12.552 24.284 -3.508 1.00 0.00 O ATOM 865 CB SER A 58 13.340 25.130 -6.524 1.00 0.00 C ATOM 866 OG SER A 58 12.203 25.277 -7.355 1.00 0.00 O ATOM 0 H SER A 58 13.213 22.886 -7.595 1.00 0.00 H new ATOM 0 HA SER A 58 14.326 23.723 -5.231 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.381 25.968 -5.828 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.238 25.183 -7.140 1.00 0.00 H new ATOM 0 HG SER A 58 12.312 24.728 -8.159 1.00 0.00 H new ATOM 872 N GLY A 59 11.074 23.341 -4.924 1.00 0.00 N ATOM 873 CA GLY A 59 9.948 23.375 -4.006 1.00 0.00 C ATOM 874 C GLY A 59 9.975 22.282 -2.934 1.00 0.00 C ATOM 875 O GLY A 59 9.363 22.486 -1.883 1.00 0.00 O ATOM 0 H GLY A 59 10.858 22.902 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.924 24.348 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.025 23.283 -4.578 1.00 0.00 H new ATOM 879 N GLN A 60 10.644 21.136 -3.155 1.00 0.00 N ATOM 880 CA GLN A 60 10.507 19.991 -2.249 1.00 0.00 C ATOM 881 C GLN A 60 11.453 19.998 -1.059 1.00 0.00 C ATOM 882 O GLN A 60 11.092 19.487 0.003 1.00 0.00 O ATOM 883 CB GLN A 60 10.564 18.642 -2.978 1.00 0.00 C ATOM 884 CG GLN A 60 11.793 18.319 -3.834 1.00 0.00 C ATOM 885 CD GLN A 60 11.781 16.862 -4.311 1.00 0.00 C ATOM 886 OE1 GLN A 60 10.737 16.291 -4.622 1.00 0.00 O ATOM 887 NE2 GLN A 60 12.934 16.222 -4.379 1.00 0.00 N ATOM 0 H GLN A 60 11.275 20.983 -3.942 1.00 0.00 H new ATOM 0 HA GLN A 60 9.506 20.116 -1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.468 17.857 -2.228 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.687 18.577 -3.622 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.821 18.985 -4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.699 18.506 -3.257 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.798 16.699 -4.120 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.961 15.251 -4.690 1.00 0.00 H new ATOM 896 N THR A 61 12.609 20.633 -1.213 1.00 0.00 N ATOM 897 CA THR A 61 13.599 20.871 -0.163 1.00 0.00 C ATOM 898 C THR A 61 14.249 19.585 0.367 1.00 0.00 C ATOM 899 O THR A 61 13.927 18.468 -0.053 1.00 0.00 O ATOM 900 CB THR A 61 13.042 21.795 0.948 1.00 0.00 C ATOM 901 OG1 THR A 61 12.055 21.198 1.762 1.00 0.00 O ATOM 902 CG2 THR A 61 12.456 23.064 0.341 1.00 0.00 C ATOM 0 H THR A 61 12.897 21.015 -2.114 1.00 0.00 H new ATOM 0 HA THR A 61 14.423 21.414 -0.626 1.00 0.00 H new ATOM 0 HB THR A 61 13.898 22.016 1.586 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.838 20.308 1.414 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.069 23.702 1.135 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.233 23.597 -0.207 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.647 22.801 -0.340 1.00 0.00 H new ATOM 910 N SER A 62 15.205 19.772 1.273 1.00 0.00 N ATOM 911 CA SER A 62 16.101 18.723 1.759 1.00 0.00 C ATOM 912 C SER A 62 15.690 18.205 3.142 1.00 0.00 C ATOM 913 O SER A 62 14.933 18.863 3.860 1.00 0.00 O ATOM 914 CB SER A 62 17.529 19.267 1.774 1.00 0.00 C ATOM 915 OG SER A 62 17.870 19.820 0.520 1.00 0.00 O ATOM 0 H SER A 62 15.384 20.680 1.701 1.00 0.00 H new ATOM 0 HA SER A 62 16.039 17.868 1.085 1.00 0.00 H new ATOM 0 HB2 SER A 62 17.625 20.027 2.549 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.225 18.466 2.024 1.00 0.00 H new ATOM 0 HG SER A 62 18.827 20.030 0.504 1.00 0.00 H new ATOM 921 N ASP A 63 16.192 17.023 3.520 1.00 0.00 N ATOM 922 CA ASP A 63 15.807 16.331 4.755 1.00 0.00 C ATOM 923 C ASP A 63 16.940 15.372 5.169 1.00 0.00 C ATOM 924 O ASP A 63 17.480 14.692 4.292 1.00 0.00 O ATOM 925 CB ASP A 63 14.504 15.546 4.500 1.00 0.00 C ATOM 926 CG ASP A 63 13.524 15.664 5.673 1.00 0.00 C ATOM 927 OD1 ASP A 63 13.808 15.122 6.758 1.00 0.00 O ATOM 928 OD2 ASP A 63 12.455 16.296 5.509 1.00 0.00 O ATOM 0 H ASP A 63 16.885 16.515 2.970 1.00 0.00 H new ATOM 0 HA ASP A 63 15.641 17.049 5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.029 15.917 3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.741 14.496 4.330 1.00 0.00 H new ATOM 933 N PRO A 64 17.365 15.314 6.445 1.00 0.00 N ATOM 934 CA PRO A 64 18.418 14.402 6.893 1.00 0.00 C ATOM 935 C PRO A 64 17.883 12.980 7.116 1.00 0.00 C ATOM 936 O PRO A 64 16.704 12.780 7.414 1.00 0.00 O ATOM 937 CB PRO A 64 18.926 15.003 8.208 1.00 0.00 C ATOM 938 CG PRO A 64 17.688 15.691 8.781 1.00 0.00 C ATOM 939 CD PRO A 64 16.954 16.187 7.535 1.00 0.00 C ATOM 0 HA PRO A 64 19.207 14.306 6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.307 14.235 8.881 1.00 0.00 H new ATOM 0 HB3 PRO A 64 19.738 15.711 8.040 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.076 15.000 9.360 1.00 0.00 H new ATOM 0 HG3 PRO A 64 17.955 16.513 9.445 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.874 16.148 7.678 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.210 17.225 7.320 1.00 0.00 H new ATOM 947 N ILE A 65 18.772 11.981 7.043 1.00 0.00 N ATOM 948 CA ILE A 65 18.450 10.579 7.336 1.00 0.00 C ATOM 949 C ILE A 65 17.875 10.420 8.748 1.00 0.00 C ATOM 950 O ILE A 65 16.987 9.599 8.983 1.00 0.00 O ATOM 951 CB ILE A 65 19.693 9.704 7.088 1.00 0.00 C ATOM 952 CG1 ILE A 65 19.284 8.221 7.092 1.00 0.00 C ATOM 953 CG2 ILE A 65 20.863 9.983 8.056 1.00 0.00 C ATOM 954 CD1 ILE A 65 20.389 7.338 6.519 1.00 0.00 C ATOM 0 H ILE A 65 19.746 12.125 6.776 1.00 0.00 H new ATOM 0 HA ILE A 65 17.665 10.238 6.661 1.00 0.00 H new ATOM 0 HB ILE A 65 20.084 9.971 6.106 1.00 0.00 H new ATOM 0 HG12 ILE A 65 19.057 7.907 8.111 1.00 0.00 H new ATOM 0 HG13 ILE A 65 18.373 8.092 6.508 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.699 9.326 7.815 1.00 0.00 H new ATOM 0 HG22 ILE A 65 21.177 11.022 7.957 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.540 9.798 9.080 1.00 0.00 H new ATOM 0 HD11 ILE A 65 20.068 6.296 6.536 1.00 0.00 H new ATOM 0 HD12 ILE A 65 20.597 7.637 5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 65 21.292 7.449 7.119 1.00 0.00 H new ATOM 966 N GLU A 66 18.361 11.250 9.676 1.00 0.00 N ATOM 967 CA GLU A 66 18.053 11.224 11.100 1.00 0.00 C ATOM 968 C GLU A 66 16.550 11.381 11.372 1.00 0.00 C ATOM 969 O GLU A 66 16.066 10.980 12.431 1.00 0.00 O ATOM 970 CB GLU A 66 18.831 12.356 11.804 1.00 0.00 C ATOM 971 CG GLU A 66 20.328 12.429 11.445 1.00 0.00 C ATOM 972 CD GLU A 66 21.088 13.368 12.399 1.00 0.00 C ATOM 973 OE1 GLU A 66 21.120 14.597 12.158 1.00 0.00 O ATOM 974 OE2 GLU A 66 21.675 12.887 13.395 1.00 0.00 O ATOM 0 H GLU A 66 19.014 11.996 9.436 1.00 0.00 H new ATOM 0 HA GLU A 66 18.353 10.252 11.492 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.365 13.309 11.554 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.736 12.228 12.882 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.764 11.431 11.490 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.441 12.780 10.419 1.00 0.00 H new ATOM 981 N ASN A 67 15.813 11.974 10.426 1.00 0.00 N ATOM 982 CA ASN A 67 14.393 12.268 10.562 1.00 0.00 C ATOM 983 C ASN A 67 13.502 11.054 10.243 1.00 0.00 C ATOM 984 O ASN A 67 12.282 11.152 10.387 1.00 0.00 O ATOM 985 CB ASN A 67 14.059 13.463 9.658 1.00 0.00 C ATOM 986 CG ASN A 67 12.666 14.045 9.892 1.00 0.00 C ATOM 987 OD1 ASN A 67 12.135 14.050 11.001 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.067 14.601 8.856 1.00 0.00 N ATOM 0 H ASN A 67 16.200 12.266 9.529 1.00 0.00 H new ATOM 0 HA ASN A 67 14.184 12.516 11.603 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.801 14.246 9.818 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.142 13.153 8.616 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.154 15.041 8.970 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.517 14.591 7.941 1.00 0.00 H new ATOM 995 N PHE A 68 14.059 9.906 9.824 1.00 0.00 N ATOM 996 CA PHE A 68 13.288 8.756 9.378 1.00 0.00 C ATOM 997 C PHE A 68 13.719 7.458 10.065 1.00 0.00 C ATOM 998 O PHE A 68 14.683 7.408 10.832 1.00 0.00 O ATOM 999 CB PHE A 68 13.450 8.624 7.860 1.00 0.00 C ATOM 1000 CG PHE A 68 12.960 9.821 7.084 1.00 0.00 C ATOM 1001 CD1 PHE A 68 11.587 9.952 6.816 1.00 0.00 C ATOM 1002 CD2 PHE A 68 13.863 10.817 6.671 1.00 0.00 C ATOM 1003 CE1 PHE A 68 11.109 11.105 6.169 1.00 0.00 C ATOM 1004 CE2 PHE A 68 13.386 11.958 6.008 1.00 0.00 C ATOM 1005 CZ PHE A 68 12.009 12.113 5.773 1.00 0.00 C ATOM 0 H PHE A 68 15.068 9.758 9.789 1.00 0.00 H new ATOM 0 HA PHE A 68 12.244 8.919 9.646 1.00 0.00 H new ATOM 0 HB2 PHE A 68 14.503 8.461 7.630 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.910 7.739 7.523 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.901 9.170 7.106 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.920 10.704 6.863 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.052 11.218 5.976 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.078 12.718 5.678 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.641 13.005 5.289 1.00 0.00 H new ATOM 1015 N ASN A 69 12.992 6.396 9.719 1.00 0.00 N ATOM 1016 CA ASN A 69 13.243 4.997 10.031 1.00 0.00 C ATOM 1017 C ASN A 69 13.127 4.233 8.717 1.00 0.00 C ATOM 1018 O ASN A 69 12.246 4.530 7.908 1.00 0.00 O ATOM 1019 CB ASN A 69 12.235 4.445 11.064 1.00 0.00 C ATOM 1020 CG ASN A 69 10.782 4.922 10.942 1.00 0.00 C ATOM 1021 OD1 ASN A 69 10.125 5.159 11.952 1.00 0.00 O ATOM 1022 ND2 ASN A 69 10.235 5.092 9.747 1.00 0.00 N ATOM 0 H ASN A 69 12.142 6.506 9.167 1.00 0.00 H new ATOM 0 HA ASN A 69 14.231 4.884 10.478 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.241 3.357 10.996 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.594 4.704 12.060 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.272 5.419 9.669 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.777 4.896 8.905 1.00 0.00 H new ATOM 1029 N ALA A 70 13.985 3.240 8.518 1.00 0.00 N ATOM 1030 CA ALA A 70 14.027 2.428 7.311 1.00 0.00 C ATOM 1031 C ALA A 70 12.832 1.489 7.216 1.00 0.00 C ATOM 1032 O ALA A 70 12.475 1.094 6.114 1.00 0.00 O ATOM 1033 CB ALA A 70 15.313 1.605 7.292 1.00 0.00 C ATOM 0 H ALA A 70 14.687 2.972 9.208 1.00 0.00 H new ATOM 0 HA ALA A 70 13.995 3.105 6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.343 0.997 6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 70 16.173 2.274 7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.342 0.955 8.167 1.00 0.00 H new ATOM 1039 N ASP A 71 12.208 1.144 8.345 1.00 0.00 N ATOM 1040 CA ASP A 71 11.112 0.175 8.412 1.00 0.00 C ATOM 1041 C ASP A 71 9.900 0.604 7.575 1.00 0.00 C ATOM 1042 O ASP A 71 9.101 -0.236 7.159 1.00 0.00 O ATOM 1043 CB ASP A 71 10.699 -0.014 9.876 1.00 0.00 C ATOM 1044 CG ASP A 71 9.544 -1.020 10.020 1.00 0.00 C ATOM 1045 OD1 ASP A 71 9.767 -2.236 9.824 1.00 0.00 O ATOM 1046 OD2 ASP A 71 8.419 -0.609 10.385 1.00 0.00 O ATOM 0 H ASP A 71 12.455 1.537 9.253 1.00 0.00 H new ATOM 0 HA ASP A 71 11.470 -0.766 7.994 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.556 -0.360 10.453 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.399 0.946 10.296 1.00 0.00 H new ATOM 1051 N ASP A 72 9.765 1.907 7.307 1.00 0.00 N ATOM 1052 CA ASP A 72 8.669 2.469 6.540 1.00 0.00 C ATOM 1053 C ASP A 72 8.922 2.322 5.039 1.00 0.00 C ATOM 1054 O ASP A 72 7.987 2.438 4.255 1.00 0.00 O ATOM 1055 CB ASP A 72 8.479 3.942 6.924 1.00 0.00 C ATOM 1056 CG ASP A 72 7.211 4.557 6.312 1.00 0.00 C ATOM 1057 OD1 ASP A 72 6.111 3.978 6.458 1.00 0.00 O ATOM 1058 OD2 ASP A 72 7.285 5.676 5.757 1.00 0.00 O ATOM 0 H ASP A 72 10.433 2.608 7.628 1.00 0.00 H new ATOM 0 HA ASP A 72 7.755 1.922 6.772 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.431 4.027 8.010 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.348 4.513 6.598 1.00 0.00 H new ATOM 1063 N TYR A 73 10.163 2.035 4.630 1.00 0.00 N ATOM 1064 CA TYR A 73 10.613 2.008 3.258 1.00 0.00 C ATOM 1065 C TYR A 73 10.844 0.561 2.821 1.00 0.00 C ATOM 1066 O TYR A 73 11.536 -0.200 3.496 1.00 0.00 O ATOM 1067 CB TYR A 73 11.857 2.897 3.119 1.00 0.00 C ATOM 1068 CG TYR A 73 11.594 4.362 3.447 1.00 0.00 C ATOM 1069 CD1 TYR A 73 10.983 5.188 2.487 1.00 0.00 C ATOM 1070 CD2 TYR A 73 11.936 4.898 4.708 1.00 0.00 C ATOM 1071 CE1 TYR A 73 10.702 6.529 2.785 1.00 0.00 C ATOM 1072 CE2 TYR A 73 11.690 6.255 5.014 1.00 0.00 C ATOM 1073 CZ TYR A 73 11.054 7.068 4.043 1.00 0.00 C ATOM 1074 OH TYR A 73 10.802 8.383 4.279 1.00 0.00 O ATOM 0 H TYR A 73 10.907 1.806 5.289 1.00 0.00 H new ATOM 0 HA TYR A 73 9.855 2.415 2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.639 2.520 3.778 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.235 2.823 2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.729 4.788 1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.393 4.260 5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.215 7.152 2.050 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.981 6.665 5.970 1.00 0.00 H new ATOM 0 HH TYR A 73 11.167 8.634 5.153 1.00 0.00 H new ATOM 1084 N ASP A 74 10.250 0.163 1.693 1.00 0.00 N ATOM 1085 CA ASP A 74 10.472 -1.156 1.105 1.00 0.00 C ATOM 1086 C ASP A 74 11.867 -1.234 0.488 1.00 0.00 C ATOM 1087 O ASP A 74 12.560 -2.240 0.647 1.00 0.00 O ATOM 1088 CB ASP A 74 9.430 -1.445 0.021 1.00 0.00 C ATOM 1089 CG ASP A 74 9.680 -2.816 -0.627 1.00 0.00 C ATOM 1090 OD1 ASP A 74 9.124 -3.817 -0.121 1.00 0.00 O ATOM 1091 OD2 ASP A 74 10.331 -2.873 -1.692 1.00 0.00 O ATOM 0 H ASP A 74 9.603 0.747 1.164 1.00 0.00 H new ATOM 0 HA ASP A 74 10.382 -1.898 1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.431 -1.420 0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.466 -0.666 -0.741 1.00 0.00 H new ATOM 1096 N VAL A 75 12.294 -0.155 -0.174 1.00 0.00 N ATOM 1097 CA VAL A 75 13.501 -0.153 -0.989 1.00 0.00 C ATOM 1098 C VAL A 75 14.375 1.040 -0.620 1.00 0.00 C ATOM 1099 O VAL A 75 13.868 2.154 -0.483 1.00 0.00 O ATOM 1100 CB VAL A 75 13.114 -0.256 -2.485 1.00 0.00 C ATOM 1101 CG1 VAL A 75 11.856 0.476 -2.955 1.00 0.00 C ATOM 1102 CG2 VAL A 75 14.285 0.064 -3.429 1.00 0.00 C ATOM 0 H VAL A 75 11.808 0.741 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 75 14.119 -1.028 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 75 12.849 -1.312 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.716 0.310 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.990 0.096 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.964 1.544 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.953 -0.025 -4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 75 14.633 1.081 -3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 75 15.100 -0.637 -3.248 1.00 0.00 H new ATOM 1112 N VAL A 76 15.684 0.807 -0.477 1.00 0.00 N ATOM 1113 CA VAL A 76 16.644 1.852 -0.117 1.00 0.00 C ATOM 1114 C VAL A 76 17.722 1.931 -1.202 1.00 0.00 C ATOM 1115 O VAL A 76 18.463 0.983 -1.467 1.00 0.00 O ATOM 1116 CB VAL A 76 17.251 1.637 1.290 1.00 0.00 C ATOM 1117 CG1 VAL A 76 17.853 2.940 1.828 1.00 0.00 C ATOM 1118 CG2 VAL A 76 16.272 1.071 2.334 1.00 0.00 C ATOM 0 H VAL A 76 16.106 -0.112 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 76 16.120 2.806 -0.063 1.00 0.00 H new ATOM 0 HB VAL A 76 18.024 0.882 1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 76 18.274 2.765 2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.639 3.283 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.075 3.700 1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 76 16.785 0.954 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 76 15.433 1.756 2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.903 0.101 1.999 1.00 0.00 H new ATOM 1128 N ILE A 77 17.817 3.091 -1.835 1.00 0.00 N ATOM 1129 CA ILE A 77 18.768 3.377 -2.881 1.00 0.00 C ATOM 1130 C ILE A 77 19.786 4.326 -2.293 1.00 0.00 C ATOM 1131 O ILE A 77 19.556 5.527 -2.172 1.00 0.00 O ATOM 1132 CB ILE A 77 18.049 3.953 -4.114 1.00 0.00 C ATOM 1133 CG1 ILE A 77 17.039 2.960 -4.724 1.00 0.00 C ATOM 1134 CG2 ILE A 77 19.062 4.404 -5.173 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.614 1.580 -5.070 1.00 0.00 C ATOM 0 H ILE A 77 17.209 3.882 -1.621 1.00 0.00 H new ATOM 0 HA ILE A 77 19.274 2.478 -3.231 1.00 0.00 H new ATOM 0 HB ILE A 77 17.483 4.820 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 77 16.214 2.828 -4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.621 3.400 -5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.531 4.808 -6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.710 5.173 -4.753 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.666 3.552 -5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.828 0.954 -5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.418 1.693 -5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.005 1.112 -4.167 1.00 0.00 H new ATOM 1147 N SER A 78 20.896 3.774 -1.845 1.00 0.00 N ATOM 1148 CA SER A 78 22.021 4.610 -1.508 1.00 0.00 C ATOM 1149 C SER A 78 22.557 5.150 -2.838 1.00 0.00 C ATOM 1150 O SER A 78 22.352 4.571 -3.911 1.00 0.00 O ATOM 1151 CB SER A 78 23.056 3.759 -0.802 1.00 0.00 C ATOM 1152 OG SER A 78 24.170 4.496 -0.353 1.00 0.00 O ATOM 0 H SER A 78 21.039 2.773 -1.709 1.00 0.00 H new ATOM 0 HA SER A 78 21.757 5.434 -0.845 1.00 0.00 H new ATOM 0 HB2 SER A 78 22.590 3.263 0.049 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.396 2.976 -1.480 1.00 0.00 H new ATOM 0 HG SER A 78 24.959 4.251 -0.880 1.00 0.00 H new ATOM 1158 N LEU A 79 23.246 6.277 -2.780 1.00 0.00 N ATOM 1159 CA LEU A 79 23.962 6.868 -3.897 1.00 0.00 C ATOM 1160 C LEU A 79 25.143 7.629 -3.299 1.00 0.00 C ATOM 1161 O LEU A 79 25.452 8.749 -3.694 1.00 0.00 O ATOM 1162 CB LEU A 79 23.045 7.686 -4.855 1.00 0.00 C ATOM 1163 CG LEU A 79 21.529 7.777 -4.548 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.292 8.917 -3.572 1.00 0.00 C ATOM 1165 CD2 LEU A 79 20.723 8.057 -5.821 1.00 0.00 C ATOM 0 H LEU A 79 23.325 6.825 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 79 24.344 6.104 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.434 8.703 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 79 23.154 7.264 -5.854 1.00 0.00 H new ATOM 0 HG LEU A 79 21.206 6.825 -4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.228 8.990 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.843 8.728 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.635 9.852 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.663 8.116 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.047 9.002 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.885 7.253 -6.539 1.00 0.00 H new ATOM 1177 N CYS A 80 25.790 7.047 -2.283 1.00 0.00 N ATOM 1178 CA CYS A 80 26.940 7.635 -1.603 1.00 0.00 C ATOM 1179 C CYS A 80 28.133 7.799 -2.553 1.00 0.00 C ATOM 1180 O CYS A 80 28.995 8.641 -2.306 1.00 0.00 O ATOM 1181 CB CYS A 80 27.291 6.804 -0.369 1.00 0.00 C ATOM 1182 SG CYS A 80 25.969 6.955 0.870 1.00 0.00 S ATOM 0 H CYS A 80 25.521 6.138 -1.907 1.00 0.00 H new ATOM 0 HA CYS A 80 26.677 8.639 -1.271 1.00 0.00 H new ATOM 0 HB2 CYS A 80 27.423 5.759 -0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 80 28.237 7.143 0.052 1.00 0.00 H new ATOM 0 HG CYS A 80 25.052 6.063 0.637 1.00 0.00 H new ATOM 1188 N GLY A 81 28.160 7.064 -3.663 1.00 0.00 N ATOM 1189 CA GLY A 81 29.081 7.255 -4.778 1.00 0.00 C ATOM 1190 C GLY A 81 30.171 6.198 -4.781 1.00 0.00 C ATOM 1191 O GLY A 81 30.261 5.407 -5.718 1.00 0.00 O ATOM 0 H GLY A 81 27.515 6.289 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.531 7.215 -5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.532 8.245 -4.714 1.00 0.00 H new ATOM 1195 N CYS A 82 30.965 6.122 -3.710 1.00 0.00 N ATOM 1196 CA CYS A 82 32.146 5.253 -3.649 1.00 0.00 C ATOM 1197 C CYS A 82 31.800 3.790 -3.318 1.00 0.00 C ATOM 1198 O CYS A 82 32.586 3.090 -2.677 1.00 0.00 O ATOM 1199 CB CYS A 82 33.184 5.849 -2.680 1.00 0.00 C ATOM 1200 SG CYS A 82 33.682 7.518 -3.208 1.00 0.00 S ATOM 0 H CYS A 82 30.808 6.662 -2.859 1.00 0.00 H new ATOM 0 HA CYS A 82 32.587 5.217 -4.645 1.00 0.00 H new ATOM 0 HB2 CYS A 82 32.766 5.891 -1.674 1.00 0.00 H new ATOM 0 HB3 CYS A 82 34.059 5.201 -2.635 1.00 0.00 H new ATOM 0 HG CYS A 82 34.555 7.995 -2.371 1.00 0.00 H new ATOM 1206 N GLY A 83 30.610 3.335 -3.720 1.00 0.00 N ATOM 1207 CA GLY A 83 30.085 2.008 -3.417 1.00 0.00 C ATOM 1208 C GLY A 83 29.935 1.782 -1.911 1.00 0.00 C ATOM 1209 O GLY A 83 30.081 0.654 -1.436 1.00 0.00 O ATOM 0 H GLY A 83 29.970 3.898 -4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 83 29.116 1.882 -3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 83 30.750 1.251 -3.833 1.00 0.00 H new ATOM 1213 N VAL A 84 29.709 2.862 -1.156 1.00 0.00 N ATOM 1214 CA VAL A 84 29.535 2.843 0.287 1.00 0.00 C ATOM 1215 C VAL A 84 28.208 2.149 0.621 1.00 0.00 C ATOM 1216 O VAL A 84 27.378 1.874 -0.251 1.00 0.00 O ATOM 1217 CB VAL A 84 29.674 4.265 0.880 1.00 0.00 C ATOM 1218 CG1 VAL A 84 30.012 4.258 2.380 1.00 0.00 C ATOM 1219 CG2 VAL A 84 30.745 5.111 0.165 1.00 0.00 C ATOM 0 H VAL A 84 29.641 3.800 -1.552 1.00 0.00 H new ATOM 0 HA VAL A 84 30.327 2.263 0.760 1.00 0.00 H new ATOM 0 HB VAL A 84 28.691 4.711 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 84 30.097 5.284 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 84 29.222 3.746 2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 84 30.958 3.739 2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 84 30.796 6.098 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 84 31.714 4.620 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 84 30.483 5.215 -0.888 1.00 0.00 H new ATOM 1229 N ASN A 85 28.017 1.855 1.902 1.00 0.00 N ATOM 1230 CA ASN A 85 26.877 1.123 2.425 1.00 0.00 C ATOM 1231 C ASN A 85 26.351 1.803 3.686 1.00 0.00 C ATOM 1232 O ASN A 85 26.964 2.746 4.189 1.00 0.00 O ATOM 1233 CB ASN A 85 27.301 -0.335 2.676 1.00 0.00 C ATOM 1234 CG ASN A 85 26.097 -1.254 2.792 1.00 0.00 C ATOM 1235 OD1 ASN A 85 25.612 -1.529 3.883 1.00 0.00 O ATOM 1236 ND2 ASN A 85 25.560 -1.691 1.668 1.00 0.00 N ATOM 0 H ASN A 85 28.678 2.131 2.628 1.00 0.00 H new ATOM 0 HA ASN A 85 26.058 1.120 1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 85 27.941 -0.674 1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 85 27.892 -0.391 3.590 1.00 0.00 H new ATOM 0 HD21 ASN A 85 24.722 -2.272 1.695 1.00 0.00 H new ATOM 0 HD22 ASN A 85 25.983 -1.448 0.772 1.00 0.00 H new ATOM 1243 N LEU A 86 25.212 1.329 4.187 1.00 0.00 N ATOM 1244 CA LEU A 86 24.424 1.932 5.251 1.00 0.00 C ATOM 1245 C LEU A 86 24.274 0.850 6.324 1.00 0.00 C ATOM 1246 O LEU A 86 23.272 0.143 6.316 1.00 0.00 O ATOM 1247 CB LEU A 86 23.064 2.430 4.700 1.00 0.00 C ATOM 1248 CG LEU A 86 23.103 3.311 3.434 1.00 0.00 C ATOM 1249 CD1 LEU A 86 21.677 3.710 3.041 1.00 0.00 C ATOM 1250 CD2 LEU A 86 23.946 4.577 3.601 1.00 0.00 C ATOM 0 H LEU A 86 24.794 0.466 3.840 1.00 0.00 H new ATOM 0 HA LEU A 86 24.903 2.814 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.445 1.559 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 86 22.564 2.992 5.489 1.00 0.00 H new ATOM 0 HG LEU A 86 23.573 2.712 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 86 21.707 4.332 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.091 2.813 2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.218 4.269 3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 86 23.930 5.150 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 86 23.536 5.183 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 86 24.973 4.301 3.840 1.00 0.00 H new ATOM 1262 N PRO A 87 25.256 0.678 7.230 1.00 0.00 N ATOM 1263 CA PRO A 87 25.194 -0.307 8.306 1.00 0.00 C ATOM 1264 C PRO A 87 23.873 -0.400 9.099 1.00 0.00 C ATOM 1265 O PRO A 87 23.580 -1.510 9.557 1.00 0.00 O ATOM 1266 CB PRO A 87 26.369 0.013 9.235 1.00 0.00 C ATOM 1267 CG PRO A 87 27.389 0.653 8.299 1.00 0.00 C ATOM 1268 CD PRO A 87 26.518 1.404 7.295 1.00 0.00 C ATOM 0 HA PRO A 87 25.249 -1.294 7.847 1.00 0.00 H new ATOM 0 HB2 PRO A 87 26.076 0.692 10.036 1.00 0.00 H new ATOM 0 HB3 PRO A 87 26.765 -0.886 9.708 1.00 0.00 H new ATOM 0 HG2 PRO A 87 28.059 1.326 8.834 1.00 0.00 H new ATOM 0 HG3 PRO A 87 28.013 -0.096 7.810 1.00 0.00 H new ATOM 0 HD2 PRO A 87 26.359 2.435 7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 87 26.996 1.442 6.316 1.00 0.00 H new ATOM 1276 N PRO A 88 23.093 0.684 9.332 1.00 0.00 N ATOM 1277 CA PRO A 88 21.819 0.570 10.036 1.00 0.00 C ATOM 1278 C PRO A 88 20.759 -0.261 9.295 1.00 0.00 C ATOM 1279 O PRO A 88 20.973 -0.805 8.217 1.00 0.00 O ATOM 1280 CB PRO A 88 21.321 2.005 10.265 1.00 0.00 C ATOM 1281 CG PRO A 88 22.521 2.910 10.013 1.00 0.00 C ATOM 1282 CD PRO A 88 23.406 2.091 9.076 1.00 0.00 C ATOM 0 HA PRO A 88 21.981 0.030 10.969 1.00 0.00 H new ATOM 0 HB2 PRO A 88 20.501 2.246 9.588 1.00 0.00 H new ATOM 0 HB3 PRO A 88 20.944 2.130 11.280 1.00 0.00 H new ATOM 0 HG2 PRO A 88 22.221 3.854 9.557 1.00 0.00 H new ATOM 0 HG3 PRO A 88 23.039 3.155 10.940 1.00 0.00 H new ATOM 0 HD2 PRO A 88 23.211 2.348 8.035 1.00 0.00 H new ATOM 0 HD3 PRO A 88 24.461 2.294 9.263 1.00 0.00 H new ATOM 1290 N GLU A 89 19.545 -0.263 9.847 1.00 0.00 N ATOM 1291 CA GLU A 89 18.317 -0.799 9.255 1.00 0.00 C ATOM 1292 C GLU A 89 18.062 -0.368 7.799 1.00 0.00 C ATOM 1293 O GLU A 89 17.321 -1.022 7.066 1.00 0.00 O ATOM 1294 CB GLU A 89 17.132 -0.419 10.154 1.00 0.00 C ATOM 1295 CG GLU A 89 17.058 1.074 10.529 1.00 0.00 C ATOM 1296 CD GLU A 89 15.817 1.391 11.379 1.00 0.00 C ATOM 1297 OE1 GLU A 89 15.790 1.039 12.582 1.00 0.00 O ATOM 1298 OE2 GLU A 89 14.876 2.022 10.851 1.00 0.00 O ATOM 0 H GLU A 89 19.382 0.132 10.773 1.00 0.00 H new ATOM 0 HA GLU A 89 18.437 -1.881 9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.207 -0.699 9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 89 17.186 -1.007 11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.956 1.355 11.079 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.039 1.676 9.620 1.00 0.00 H new ATOM 1305 N TRP A 90 18.707 0.710 7.364 1.00 0.00 N ATOM 1306 CA TRP A 90 18.761 1.209 5.996 1.00 0.00 C ATOM 1307 C TRP A 90 19.353 0.221 4.982 1.00 0.00 C ATOM 1308 O TRP A 90 19.334 0.520 3.790 1.00 0.00 O ATOM 1309 CB TRP A 90 19.535 2.532 5.980 1.00 0.00 C ATOM 1310 CG TRP A 90 18.865 3.632 6.737 1.00 0.00 C ATOM 1311 CD1 TRP A 90 19.315 4.217 7.866 1.00 0.00 C ATOM 1312 CD2 TRP A 90 17.602 4.292 6.427 1.00 0.00 C ATOM 1313 NE1 TRP A 90 18.393 5.135 8.318 1.00 0.00 N ATOM 1314 CE2 TRP A 90 17.313 5.231 7.462 1.00 0.00 C ATOM 1315 CE3 TRP A 90 16.667 4.169 5.378 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 16.143 6.007 7.452 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.493 4.941 5.361 1.00 0.00 C ATOM 1318 CH2 TRP A 90 15.233 5.856 6.392 1.00 0.00 C ATOM 0 H TRP A 90 19.242 1.298 8.003 1.00 0.00 H new ATOM 0 HA TRP A 90 17.731 1.358 5.673 1.00 0.00 H new ATOM 0 HB2 TRP A 90 20.527 2.367 6.400 1.00 0.00 H new ATOM 0 HB3 TRP A 90 19.675 2.848 4.946 1.00 0.00 H new ATOM 0 HD1 TRP A 90 20.258 3.998 8.344 1.00 0.00 H new ATOM 0 HE1 TRP A 90 18.495 5.676 9.177 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.856 3.471 4.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.945 6.710 8.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.788 4.829 4.551 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.329 6.447 6.371 1.00 0.00 H new ATOM 1329 N VAL A 91 19.837 -0.950 5.408 1.00 0.00 N ATOM 1330 CA VAL A 91 20.250 -2.013 4.496 1.00 0.00 C ATOM 1331 C VAL A 91 19.455 -3.311 4.698 1.00 0.00 C ATOM 1332 O VAL A 91 19.590 -4.232 3.893 1.00 0.00 O ATOM 1333 CB VAL A 91 21.788 -2.182 4.547 1.00 0.00 C ATOM 1334 CG1 VAL A 91 22.296 -2.894 5.813 1.00 0.00 C ATOM 1335 CG2 VAL A 91 22.364 -2.886 3.310 1.00 0.00 C ATOM 0 H VAL A 91 19.952 -1.184 6.394 1.00 0.00 H new ATOM 0 HA VAL A 91 20.001 -1.720 3.476 1.00 0.00 H new ATOM 0 HB VAL A 91 22.153 -1.155 4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 91 23.382 -2.974 5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 91 22.006 -2.321 6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.860 -3.892 5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 91 23.446 -2.972 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 91 21.928 -3.881 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 91 22.128 -2.306 2.418 1.00 0.00 H new ATOM 1345 N THR A 92 18.584 -3.402 5.708 1.00 0.00 N ATOM 1346 CA THR A 92 17.908 -4.652 6.060 1.00 0.00 C ATOM 1347 C THR A 92 16.454 -4.675 5.569 1.00 0.00 C ATOM 1348 O THR A 92 15.633 -5.469 6.034 1.00 0.00 O ATOM 1349 CB THR A 92 18.092 -4.927 7.565 1.00 0.00 C ATOM 1350 OG1 THR A 92 17.523 -3.895 8.341 1.00 0.00 O ATOM 1351 CG2 THR A 92 19.579 -5.013 7.944 1.00 0.00 C ATOM 0 H THR A 92 18.329 -2.613 6.302 1.00 0.00 H new ATOM 0 HA THR A 92 18.371 -5.487 5.534 1.00 0.00 H new ATOM 0 HB THR A 92 17.597 -5.877 7.765 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.651 -4.093 9.292 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.671 -5.208 9.012 1.00 0.00 H new ATOM 0 HG22 THR A 92 20.051 -5.822 7.386 1.00 0.00 H new ATOM 0 HG23 THR A 92 20.071 -4.071 7.703 1.00 0.00 H new ATOM 1359 N GLN A 93 16.142 -3.794 4.618 1.00 0.00 N ATOM 1360 CA GLN A 93 14.864 -3.753 3.918 1.00 0.00 C ATOM 1361 C GLN A 93 14.921 -4.689 2.702 1.00 0.00 C ATOM 1362 O GLN A 93 15.909 -5.400 2.494 1.00 0.00 O ATOM 1363 CB GLN A 93 14.506 -2.303 3.538 1.00 0.00 C ATOM 1364 CG GLN A 93 14.590 -1.313 4.714 1.00 0.00 C ATOM 1365 CD GLN A 93 13.887 -1.819 5.982 1.00 0.00 C ATOM 1366 OE1 GLN A 93 12.735 -2.246 5.968 1.00 0.00 O ATOM 1367 NE2 GLN A 93 14.589 -1.841 7.105 1.00 0.00 N ATOM 0 H GLN A 93 16.791 -3.071 4.307 1.00 0.00 H new ATOM 0 HA GLN A 93 14.067 -4.108 4.571 1.00 0.00 H new ATOM 0 HB2 GLN A 93 15.176 -1.969 2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.495 -2.283 3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.638 -1.117 4.941 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.146 -0.364 4.414 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.545 -1.486 7.116 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.173 -2.213 7.959 1.00 0.00 H new ATOM 1376 N GLU A 94 13.848 -4.722 1.913 1.00 0.00 N ATOM 1377 CA GLU A 94 13.671 -5.709 0.856 1.00 0.00 C ATOM 1378 C GLU A 94 14.657 -5.526 -0.297 1.00 0.00 C ATOM 1379 O GLU A 94 15.074 -6.522 -0.892 1.00 0.00 O ATOM 1380 CB GLU A 94 12.223 -5.690 0.345 1.00 0.00 C ATOM 1381 CG GLU A 94 11.193 -6.104 1.410 1.00 0.00 C ATOM 1382 CD GLU A 94 11.437 -7.520 1.964 1.00 0.00 C ATOM 1383 OE1 GLU A 94 11.187 -8.514 1.245 1.00 0.00 O ATOM 1384 OE2 GLU A 94 11.862 -7.658 3.133 1.00 0.00 O ATOM 0 H GLU A 94 13.075 -4.061 1.992 1.00 0.00 H new ATOM 0 HA GLU A 94 13.883 -6.685 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.984 -4.688 -0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.139 -6.360 -0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.221 -5.388 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.193 -6.056 0.979 1.00 0.00 H new ATOM 1391 N ILE A 95 15.055 -4.287 -0.603 1.00 0.00 N ATOM 1392 CA ILE A 95 15.941 -3.982 -1.725 1.00 0.00 C ATOM 1393 C ILE A 95 16.970 -2.963 -1.231 1.00 0.00 C ATOM 1394 O ILE A 95 16.608 -2.020 -0.519 1.00 0.00 O ATOM 1395 CB ILE A 95 15.105 -3.469 -2.911 1.00 0.00 C ATOM 1396 CG1 ILE A 95 14.142 -4.587 -3.379 1.00 0.00 C ATOM 1397 CG2 ILE A 95 16.004 -2.972 -4.067 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.451 -4.322 -4.711 1.00 0.00 C ATOM 0 H ILE A 95 14.768 -3.464 -0.074 1.00 0.00 H new ATOM 0 HA ILE A 95 16.473 -4.864 -2.082 1.00 0.00 H new ATOM 0 HB ILE A 95 14.518 -2.611 -2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 95 14.701 -5.520 -3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.380 -4.734 -2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.379 -2.617 -4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 95 16.635 -2.157 -3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 95 16.632 -3.791 -4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.798 -5.160 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.859 -3.409 -4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 95 14.201 -4.207 -5.494 1.00 0.00 H new ATOM 1410 N PHE A 96 18.229 -3.120 -1.653 1.00 0.00 N ATOM 1411 CA PHE A 96 19.294 -2.166 -1.438 1.00 0.00 C ATOM 1412 C PHE A 96 20.178 -2.131 -2.684 1.00 0.00 C ATOM 1413 O PHE A 96 20.496 -3.182 -3.247 1.00 0.00 O ATOM 1414 CB PHE A 96 20.142 -2.527 -0.207 1.00 0.00 C ATOM 1415 CG PHE A 96 21.313 -1.571 -0.046 1.00 0.00 C ATOM 1416 CD1 PHE A 96 22.529 -1.816 -0.720 1.00 0.00 C ATOM 1417 CD2 PHE A 96 21.137 -0.364 0.653 1.00 0.00 C ATOM 1418 CE1 PHE A 96 23.536 -0.834 -0.744 1.00 0.00 C ATOM 1419 CE2 PHE A 96 22.165 0.592 0.670 1.00 0.00 C ATOM 1420 CZ PHE A 96 23.362 0.365 -0.033 1.00 0.00 C ATOM 0 H PHE A 96 18.533 -3.946 -2.169 1.00 0.00 H new ATOM 0 HA PHE A 96 18.852 -1.187 -1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 96 19.520 -2.498 0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 96 20.513 -3.547 -0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.687 -2.761 -1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.212 -0.172 1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 96 24.442 -1.002 -1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 96 22.036 1.508 1.227 1.00 0.00 H new ATOM 0 HZ PHE A 96 24.144 1.110 -0.026 1.00 0.00 H new ATOM 1430 N GLU A 97 20.605 -0.933 -3.074 1.00 0.00 N ATOM 1431 CA GLU A 97 21.633 -0.675 -4.077 1.00 0.00 C ATOM 1432 C GLU A 97 22.380 0.597 -3.670 1.00 0.00 C ATOM 1433 O GLU A 97 21.836 1.416 -2.932 1.00 0.00 O ATOM 1434 CB GLU A 97 21.019 -0.438 -5.468 1.00 0.00 C ATOM 1435 CG GLU A 97 20.648 -1.730 -6.197 1.00 0.00 C ATOM 1436 CD GLU A 97 20.227 -1.472 -7.657 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.494 -0.494 -7.928 1.00 0.00 O ATOM 1438 OE2 GLU A 97 20.625 -2.261 -8.545 1.00 0.00 O ATOM 0 H GLU A 97 20.224 -0.073 -2.679 1.00 0.00 H new ATOM 0 HA GLU A 97 22.292 -1.541 -4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 97 20.127 0.180 -5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 97 21.726 0.124 -6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 97 21.498 -2.412 -6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.833 -2.224 -5.667 1.00 0.00 H new ATOM 1445 N ASP A 98 23.594 0.779 -4.195 1.00 0.00 N ATOM 1446 CA ASP A 98 24.366 2.024 -4.121 1.00 0.00 C ATOM 1447 C ASP A 98 24.676 2.494 -5.541 1.00 0.00 C ATOM 1448 O ASP A 98 25.472 1.870 -6.246 1.00 0.00 O ATOM 1449 CB ASP A 98 25.647 1.963 -3.277 1.00 0.00 C ATOM 1450 CG ASP A 98 26.247 3.381 -3.167 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.715 4.198 -2.381 1.00 0.00 O ATOM 1452 OD2 ASP A 98 27.222 3.698 -3.884 1.00 0.00 O ATOM 0 H ASP A 98 24.084 0.040 -4.700 1.00 0.00 H new ATOM 0 HA ASP A 98 23.737 2.739 -3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 98 25.425 1.570 -2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 98 26.367 1.284 -3.735 1.00 0.00 H new ATOM 1457 N TRP A 99 23.983 3.537 -6.000 1.00 0.00 N ATOM 1458 CA TRP A 99 24.126 4.085 -7.343 1.00 0.00 C ATOM 1459 C TRP A 99 25.384 4.948 -7.405 1.00 0.00 C ATOM 1460 O TRP A 99 25.364 6.132 -7.064 1.00 0.00 O ATOM 1461 CB TRP A 99 22.846 4.818 -7.780 1.00 0.00 C ATOM 1462 CG TRP A 99 21.599 3.978 -7.908 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.455 2.646 -7.690 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.269 4.441 -8.279 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.151 2.262 -7.932 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.354 3.341 -8.246 1.00 0.00 C ATOM 1467 CE3 TRP A 99 19.757 5.706 -8.629 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.981 3.501 -8.511 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.391 5.882 -8.887 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.514 4.786 -8.824 1.00 0.00 C ATOM 0 H TRP A 99 23.293 4.032 -5.434 1.00 0.00 H new ATOM 0 HA TRP A 99 24.255 3.279 -8.065 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.648 5.615 -7.064 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.037 5.294 -8.742 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.246 1.982 -7.373 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.819 1.299 -7.884 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.426 6.551 -8.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.306 2.658 -8.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.011 6.862 -9.135 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.463 4.936 -9.020 1.00 0.00 H new ATOM 1481 N GLN A 100 26.492 4.327 -7.816 1.00 0.00 N ATOM 1482 CA GLN A 100 27.727 5.017 -8.151 1.00 0.00 C ATOM 1483 C GLN A 100 27.417 5.968 -9.310 1.00 0.00 C ATOM 1484 O GLN A 100 26.957 5.530 -10.368 1.00 0.00 O ATOM 1485 CB GLN A 100 28.803 3.975 -8.487 1.00 0.00 C ATOM 1486 CG GLN A 100 30.153 4.602 -8.870 1.00 0.00 C ATOM 1487 CD GLN A 100 31.301 3.635 -8.580 1.00 0.00 C ATOM 1488 OE1 GLN A 100 31.876 3.024 -9.478 1.00 0.00 O ATOM 1489 NE2 GLN A 100 31.638 3.465 -7.312 1.00 0.00 N ATOM 0 H GLN A 100 26.551 3.315 -7.925 1.00 0.00 H new ATOM 0 HA GLN A 100 28.117 5.608 -7.323 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.945 3.319 -7.628 1.00 0.00 H new ATOM 0 HB3 GLN A 100 28.452 3.352 -9.310 1.00 0.00 H new ATOM 0 HG2 GLN A 100 30.150 4.864 -9.928 1.00 0.00 H new ATOM 0 HG3 GLN A 100 30.301 5.527 -8.313 1.00 0.00 H new ATOM 0 HE21 GLN A 100 31.149 3.981 -6.581 1.00 0.00 H new ATOM 0 HE22 GLN A 100 32.387 2.818 -7.066 1.00 0.00 H new ATOM 1498 N LEU A 101 27.628 7.267 -9.093 1.00 0.00 N ATOM 1499 CA LEU A 101 27.206 8.352 -9.970 1.00 0.00 C ATOM 1500 C LEU A 101 28.212 9.492 -9.809 1.00 0.00 C ATOM 1501 O LEU A 101 28.805 9.645 -8.738 1.00 0.00 O ATOM 1502 CB LEU A 101 25.806 8.834 -9.532 1.00 0.00 C ATOM 1503 CG LEU A 101 24.626 7.918 -9.919 1.00 0.00 C ATOM 1504 CD1 LEU A 101 23.381 8.391 -9.168 1.00 0.00 C ATOM 1505 CD2 LEU A 101 24.373 7.864 -11.429 1.00 0.00 C ATOM 0 H LEU A 101 28.119 7.603 -8.264 1.00 0.00 H new ATOM 0 HA LEU A 101 27.163 8.023 -11.008 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.807 8.955 -8.449 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.631 9.820 -9.962 1.00 0.00 H new ATOM 0 HG LEU A 101 24.879 6.897 -9.632 1.00 0.00 H new ATOM 0 HD11 LEU A 101 22.535 7.755 -9.429 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.560 8.334 -8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 101 23.159 9.422 -9.445 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.531 7.203 -11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 101 24.146 8.865 -11.796 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.262 7.486 -11.934 1.00 0.00 H new ATOM 1517 N GLU A 102 28.385 10.308 -10.851 1.00 0.00 N ATOM 1518 CA GLU A 102 29.348 11.402 -10.908 1.00 0.00 C ATOM 1519 C GLU A 102 28.802 12.649 -10.231 1.00 0.00 C ATOM 1520 O GLU A 102 28.557 13.664 -10.876 1.00 0.00 O ATOM 1521 CB GLU A 102 29.831 11.649 -12.349 1.00 0.00 C ATOM 1522 CG GLU A 102 30.697 10.496 -12.864 1.00 0.00 C ATOM 1523 CD GLU A 102 32.082 10.447 -12.192 1.00 0.00 C ATOM 1524 OE1 GLU A 102 33.007 11.165 -12.637 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.271 9.672 -11.227 1.00 0.00 O ATOM 0 H GLU A 102 27.837 10.219 -11.707 1.00 0.00 H new ATOM 0 HA GLU A 102 30.233 11.113 -10.342 1.00 0.00 H new ATOM 0 HB2 GLU A 102 28.969 11.777 -13.004 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.401 12.577 -12.387 1.00 0.00 H new ATOM 0 HG2 GLU A 102 30.180 9.553 -12.690 1.00 0.00 H new ATOM 0 HG3 GLU A 102 30.824 10.596 -13.942 1.00 0.00 H new ATOM 1532 N ASP A 103 28.590 12.499 -8.922 1.00 0.00 N ATOM 1533 CA ASP A 103 28.080 13.475 -7.959 1.00 0.00 C ATOM 1534 C ASP A 103 27.994 14.907 -8.513 1.00 0.00 C ATOM 1535 O ASP A 103 29.007 15.615 -8.521 1.00 0.00 O ATOM 1536 CB ASP A 103 28.937 13.486 -6.694 1.00 0.00 C ATOM 1537 CG ASP A 103 28.412 14.540 -5.709 1.00 0.00 C ATOM 1538 OD1 ASP A 103 27.208 14.873 -5.759 1.00 0.00 O ATOM 1539 OD2 ASP A 103 29.139 14.882 -4.752 1.00 0.00 O ATOM 0 H ASP A 103 28.790 11.608 -8.468 1.00 0.00 H new ATOM 0 HA ASP A 103 27.064 13.152 -7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.922 12.501 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.974 13.701 -6.950 1.00 0.00 H new ATOM 1544 N PRO A 104 26.821 15.316 -9.023 1.00 0.00 N ATOM 1545 CA PRO A 104 26.625 16.590 -9.696 1.00 0.00 C ATOM 1546 C PRO A 104 26.949 17.852 -8.884 1.00 0.00 C ATOM 1547 O PRO A 104 26.988 18.933 -9.467 1.00 0.00 O ATOM 1548 CB PRO A 104 25.189 16.586 -10.203 1.00 0.00 C ATOM 1549 CG PRO A 104 24.889 15.106 -10.384 1.00 0.00 C ATOM 1550 CD PRO A 104 25.702 14.431 -9.285 1.00 0.00 C ATOM 0 HA PRO A 104 27.356 16.659 -10.502 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.509 17.050 -9.489 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.091 17.134 -11.140 1.00 0.00 H new ATOM 0 HG2 PRO A 104 23.824 14.898 -10.278 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.186 14.756 -11.373 1.00 0.00 H new ATOM 0 HD2 PRO A 104 25.101 14.284 -8.388 1.00 0.00 H new ATOM 0 HD3 PRO A 104 26.047 13.447 -9.602 1.00 0.00 H new ATOM 1558 N ASP A 105 27.194 17.765 -7.574 1.00 0.00 N ATOM 1559 CA ASP A 105 27.570 18.915 -6.752 1.00 0.00 C ATOM 1560 C ASP A 105 28.802 19.644 -7.318 1.00 0.00 C ATOM 1561 O ASP A 105 29.941 19.188 -7.187 1.00 0.00 O ATOM 1562 CB ASP A 105 27.786 18.477 -5.301 1.00 0.00 C ATOM 1563 CG ASP A 105 28.121 19.675 -4.395 1.00 0.00 C ATOM 1564 OD1 ASP A 105 29.313 20.012 -4.224 1.00 0.00 O ATOM 1565 OD2 ASP A 105 27.185 20.271 -3.820 1.00 0.00 O ATOM 0 H ASP A 105 27.136 16.890 -7.053 1.00 0.00 H new ATOM 0 HA ASP A 105 26.750 19.633 -6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.889 17.980 -4.932 1.00 0.00 H new ATOM 0 HB3 ASP A 105 28.595 17.748 -5.256 1.00 0.00 H new ATOM 1570 N GLY A 106 28.548 20.771 -7.985 1.00 0.00 N ATOM 1571 CA GLY A 106 29.536 21.725 -8.475 1.00 0.00 C ATOM 1572 C GLY A 106 30.044 21.406 -9.883 1.00 0.00 C ATOM 1573 O GLY A 106 31.141 21.845 -10.233 1.00 0.00 O ATOM 0 H GLY A 106 27.594 21.055 -8.208 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.098 22.723 -8.472 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.382 21.746 -7.788 1.00 0.00 H new ATOM 1577 N GLN A 107 29.293 20.636 -10.682 1.00 0.00 N ATOM 1578 CA GLN A 107 29.790 20.091 -11.947 1.00 0.00 C ATOM 1579 C GLN A 107 29.292 20.851 -13.183 1.00 0.00 C ATOM 1580 O GLN A 107 28.509 21.800 -13.092 1.00 0.00 O ATOM 1581 CB GLN A 107 29.401 18.611 -12.057 1.00 0.00 C ATOM 1582 CG GLN A 107 29.731 17.758 -10.831 1.00 0.00 C ATOM 1583 CD GLN A 107 31.192 17.353 -10.658 1.00 0.00 C ATOM 1584 OE1 GLN A 107 32.122 17.969 -11.173 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.404 16.260 -9.945 1.00 0.00 N ATOM 0 H GLN A 107 28.330 20.376 -10.469 1.00 0.00 H new ATOM 0 HA GLN A 107 30.874 20.206 -11.931 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.330 18.547 -12.247 1.00 0.00 H new ATOM 0 HB3 GLN A 107 29.905 18.183 -12.924 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.421 18.305 -9.941 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.128 16.851 -10.874 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.617 15.764 -9.526 1.00 0.00 H new ATOM 0 HE22 GLN A 107 32.354 15.913 -9.814 1.00 0.00 H new ATOM 1594 N SER A 108 29.761 20.400 -14.348 1.00 0.00 N ATOM 1595 CA SER A 108 29.388 20.882 -15.669 1.00 0.00 C ATOM 1596 C SER A 108 28.035 20.294 -16.084 1.00 0.00 C ATOM 1597 O SER A 108 27.673 19.203 -15.634 1.00 0.00 O ATOM 1598 CB SER A 108 30.477 20.412 -16.640 1.00 0.00 C ATOM 1599 OG SER A 108 31.750 20.905 -16.248 1.00 0.00 O ATOM 0 H SER A 108 30.448 19.648 -14.392 1.00 0.00 H new ATOM 0 HA SER A 108 29.299 21.968 -15.673 1.00 0.00 H new ATOM 0 HB2 SER A 108 30.498 19.323 -16.670 1.00 0.00 H new ATOM 0 HB3 SER A 108 30.244 20.755 -17.648 1.00 0.00 H new ATOM 0 HG SER A 108 32.431 20.592 -16.880 1.00 0.00 H new ATOM 1605 N LEU A 109 27.309 20.958 -16.992 1.00 0.00 N ATOM 1606 CA LEU A 109 25.986 20.499 -17.432 1.00 0.00 C ATOM 1607 C LEU A 109 26.046 19.116 -18.071 1.00 0.00 C ATOM 1608 O LEU A 109 25.082 18.365 -17.966 1.00 0.00 O ATOM 1609 CB LEU A 109 25.338 21.480 -18.423 1.00 0.00 C ATOM 1610 CG LEU A 109 24.936 22.831 -17.803 1.00 0.00 C ATOM 1611 CD1 LEU A 109 24.480 23.790 -18.907 1.00 0.00 C ATOM 1612 CD2 LEU A 109 23.810 22.691 -16.769 1.00 0.00 C ATOM 0 H LEU A 109 27.619 21.821 -17.439 1.00 0.00 H new ATOM 0 HA LEU A 109 25.374 20.448 -16.532 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.032 21.662 -19.243 1.00 0.00 H new ATOM 0 HB3 LEU A 109 24.452 21.012 -18.853 1.00 0.00 H new ATOM 0 HG LEU A 109 25.815 23.222 -17.290 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.196 24.745 -18.465 1.00 0.00 H new ATOM 0 HD12 LEU A 109 25.295 23.945 -19.614 1.00 0.00 H new ATOM 0 HD13 LEU A 109 23.624 23.363 -19.429 1.00 0.00 H new ATOM 0 HD21 LEU A 109 23.565 23.672 -16.363 1.00 0.00 H new ATOM 0 HD22 LEU A 109 22.928 22.266 -17.247 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.137 22.035 -15.962 1.00 0.00 H new ATOM 1624 N GLU A 110 27.163 18.761 -18.708 1.00 0.00 N ATOM 1625 CA GLU A 110 27.350 17.433 -19.284 1.00 0.00 C ATOM 1626 C GLU A 110 27.363 16.361 -18.187 1.00 0.00 C ATOM 1627 O GLU A 110 26.779 15.292 -18.367 1.00 0.00 O ATOM 1628 CB GLU A 110 28.649 17.384 -20.103 1.00 0.00 C ATOM 1629 CG GLU A 110 28.587 18.285 -21.346 1.00 0.00 C ATOM 1630 CD GLU A 110 29.864 18.163 -22.196 1.00 0.00 C ATOM 1631 OE1 GLU A 110 30.831 18.925 -21.967 1.00 0.00 O ATOM 1632 OE2 GLU A 110 29.910 17.317 -23.119 1.00 0.00 O ATOM 0 H GLU A 110 27.959 19.385 -18.838 1.00 0.00 H new ATOM 0 HA GLU A 110 26.512 17.226 -19.950 1.00 0.00 H new ATOM 0 HB2 GLU A 110 29.484 17.692 -19.474 1.00 0.00 H new ATOM 0 HB3 GLU A 110 28.844 16.357 -20.411 1.00 0.00 H new ATOM 0 HG2 GLU A 110 27.720 18.015 -21.949 1.00 0.00 H new ATOM 0 HG3 GLU A 110 28.451 19.322 -21.039 1.00 0.00 H new ATOM 1639 N VAL A 111 27.982 16.642 -17.035 1.00 0.00 N ATOM 1640 CA VAL A 111 28.001 15.720 -15.901 1.00 0.00 C ATOM 1641 C VAL A 111 26.583 15.603 -15.347 1.00 0.00 C ATOM 1642 O VAL A 111 26.104 14.489 -15.130 1.00 0.00 O ATOM 1643 CB VAL A 111 28.993 16.200 -14.826 1.00 0.00 C ATOM 1644 CG1 VAL A 111 28.960 15.305 -13.580 1.00 0.00 C ATOM 1645 CG2 VAL A 111 30.429 16.244 -15.375 1.00 0.00 C ATOM 0 H VAL A 111 28.482 17.515 -16.866 1.00 0.00 H new ATOM 0 HA VAL A 111 28.339 14.736 -16.225 1.00 0.00 H new ATOM 0 HB VAL A 111 28.682 17.206 -14.544 1.00 0.00 H new ATOM 0 HG11 VAL A 111 29.674 15.677 -12.845 1.00 0.00 H new ATOM 0 HG12 VAL A 111 27.958 15.316 -13.150 1.00 0.00 H new ATOM 0 HG13 VAL A 111 29.224 14.285 -13.858 1.00 0.00 H new ATOM 0 HG21 VAL A 111 31.107 16.587 -14.593 1.00 0.00 H new ATOM 0 HG22 VAL A 111 30.725 15.247 -15.700 1.00 0.00 H new ATOM 0 HG23 VAL A 111 30.474 16.930 -16.221 1.00 0.00 H new ATOM 1655 N PHE A 112 25.896 16.737 -15.172 1.00 0.00 N ATOM 1656 CA PHE A 112 24.512 16.755 -14.724 1.00 0.00 C ATOM 1657 C PHE A 112 23.639 15.906 -15.646 1.00 0.00 C ATOM 1658 O PHE A 112 22.952 15.018 -15.158 1.00 0.00 O ATOM 1659 CB PHE A 112 23.997 18.194 -14.649 1.00 0.00 C ATOM 1660 CG PHE A 112 24.212 18.865 -13.318 1.00 0.00 C ATOM 1661 CD1 PHE A 112 23.247 18.732 -12.300 1.00 0.00 C ATOM 1662 CD2 PHE A 112 25.378 19.615 -13.095 1.00 0.00 C ATOM 1663 CE1 PHE A 112 23.471 19.317 -11.044 1.00 0.00 C ATOM 1664 CE2 PHE A 112 25.600 20.199 -11.843 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.663 20.022 -10.816 1.00 0.00 C ATOM 0 H PHE A 112 26.289 17.663 -15.338 1.00 0.00 H new ATOM 0 HA PHE A 112 24.462 16.324 -13.724 1.00 0.00 H new ATOM 0 HB2 PHE A 112 24.489 18.783 -15.423 1.00 0.00 H new ATOM 0 HB3 PHE A 112 22.931 18.197 -14.875 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.337 18.181 -12.486 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.101 19.741 -13.887 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.733 19.226 -10.261 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.491 20.784 -11.669 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.861 20.433 -9.837 1.00 0.00 H new ATOM 1675 N ARG A 113 23.689 16.123 -16.963 1.00 0.00 N ATOM 1676 CA ARG A 113 22.930 15.336 -17.940 1.00 0.00 C ATOM 1677 C ARG A 113 23.283 13.855 -17.875 1.00 0.00 C ATOM 1678 O ARG A 113 22.370 13.030 -17.916 1.00 0.00 O ATOM 1679 CB ARG A 113 23.142 15.909 -19.355 1.00 0.00 C ATOM 1680 CG ARG A 113 22.307 17.187 -19.513 1.00 0.00 C ATOM 1681 CD ARG A 113 22.751 18.113 -20.639 1.00 0.00 C ATOM 1682 NE ARG A 113 21.701 19.079 -21.009 1.00 0.00 N ATOM 1683 CZ ARG A 113 21.864 20.091 -21.870 1.00 0.00 C ATOM 1684 NH1 ARG A 113 23.036 20.294 -22.471 1.00 0.00 N ATOM 1685 NH2 ARG A 113 20.850 20.904 -22.129 1.00 0.00 N ATOM 0 H ARG A 113 24.261 16.855 -17.385 1.00 0.00 H new ATOM 0 HA ARG A 113 21.872 15.412 -17.690 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.197 16.128 -19.517 1.00 0.00 H new ATOM 0 HB3 ARG A 113 22.850 15.174 -20.105 1.00 0.00 H new ATOM 0 HG2 ARG A 113 21.268 16.905 -19.683 1.00 0.00 H new ATOM 0 HG3 ARG A 113 22.337 17.741 -18.575 1.00 0.00 H new ATOM 0 HD2 ARG A 113 23.647 18.652 -20.332 1.00 0.00 H new ATOM 0 HD3 ARG A 113 23.020 17.518 -21.512 1.00 0.00 H new ATOM 0 HE ARG A 113 20.783 18.968 -20.578 1.00 0.00 H new ATOM 0 HH11 ARG A 113 23.823 19.674 -22.277 1.00 0.00 H new ATOM 0 HH12 ARG A 113 23.146 21.069 -23.125 1.00 0.00 H new ATOM 0 HH21 ARG A 113 19.949 20.757 -21.673 1.00 0.00 H new ATOM 0 HH22 ARG A 113 20.970 21.676 -22.784 1.00 0.00 H new ATOM 1699 N THR A 114 24.562 13.499 -17.740 1.00 0.00 N ATOM 1700 CA THR A 114 24.987 12.116 -17.655 1.00 0.00 C ATOM 1701 C THR A 114 24.361 11.460 -16.419 1.00 0.00 C ATOM 1702 O THR A 114 23.722 10.411 -16.529 1.00 0.00 O ATOM 1703 CB THR A 114 26.525 12.105 -17.638 1.00 0.00 C ATOM 1704 OG1 THR A 114 27.037 12.673 -18.829 1.00 0.00 O ATOM 1705 CG2 THR A 114 27.078 10.693 -17.512 1.00 0.00 C ATOM 0 H THR A 114 25.328 14.170 -17.687 1.00 0.00 H new ATOM 0 HA THR A 114 24.651 11.531 -18.511 1.00 0.00 H new ATOM 0 HB THR A 114 26.834 12.690 -16.772 1.00 0.00 H new ATOM 0 HG1 THR A 114 26.804 13.624 -18.864 1.00 0.00 H new ATOM 0 HG21 THR A 114 28.167 10.728 -17.504 1.00 0.00 H new ATOM 0 HG22 THR A 114 26.722 10.244 -16.584 1.00 0.00 H new ATOM 0 HG23 THR A 114 26.741 10.093 -18.358 1.00 0.00 H new ATOM 1713 N VAL A 115 24.495 12.087 -15.248 1.00 0.00 N ATOM 1714 CA VAL A 115 23.943 11.556 -14.013 1.00 0.00 C ATOM 1715 C VAL A 115 22.424 11.540 -14.080 1.00 0.00 C ATOM 1716 O VAL A 115 21.846 10.518 -13.730 1.00 0.00 O ATOM 1717 CB VAL A 115 24.491 12.327 -12.808 1.00 0.00 C ATOM 1718 CG1 VAL A 115 23.763 11.991 -11.496 1.00 0.00 C ATOM 1719 CG2 VAL A 115 25.987 12.024 -12.643 1.00 0.00 C ATOM 0 H VAL A 115 24.988 12.973 -15.136 1.00 0.00 H new ATOM 0 HA VAL A 115 24.258 10.521 -13.884 1.00 0.00 H new ATOM 0 HB VAL A 115 24.326 13.386 -13.009 1.00 0.00 H new ATOM 0 HG11 VAL A 115 24.197 12.569 -10.680 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.706 12.238 -11.593 1.00 0.00 H new ATOM 0 HG13 VAL A 115 23.869 10.927 -11.283 1.00 0.00 H new ATOM 0 HG21 VAL A 115 26.377 12.573 -11.786 1.00 0.00 H new ATOM 0 HG22 VAL A 115 26.126 10.955 -12.484 1.00 0.00 H new ATOM 0 HG23 VAL A 115 26.521 12.329 -13.543 1.00 0.00 H new ATOM 1729 N ARG A 116 21.769 12.597 -14.571 1.00 0.00 N ATOM 1730 CA ARG A 116 20.317 12.635 -14.696 1.00 0.00 C ATOM 1731 C ARG A 116 19.853 11.437 -15.512 1.00 0.00 C ATOM 1732 O ARG A 116 18.897 10.776 -15.118 1.00 0.00 O ATOM 1733 CB ARG A 116 19.842 13.947 -15.354 1.00 0.00 C ATOM 1734 CG ARG A 116 18.311 14.052 -15.219 1.00 0.00 C ATOM 1735 CD ARG A 116 17.534 14.848 -16.277 1.00 0.00 C ATOM 1736 NE ARG A 116 17.953 14.527 -17.658 1.00 0.00 N ATOM 1737 CZ ARG A 116 18.365 15.412 -18.578 1.00 0.00 C ATOM 1738 NH1 ARG A 116 18.247 16.714 -18.352 1.00 0.00 N ATOM 1739 NH2 ARG A 116 18.900 14.994 -19.720 1.00 0.00 N ATOM 0 H ARG A 116 22.234 13.447 -14.891 1.00 0.00 H new ATOM 0 HA ARG A 116 19.881 12.593 -13.698 1.00 0.00 H new ATOM 0 HB2 ARG A 116 20.321 14.802 -14.877 1.00 0.00 H new ATOM 0 HB3 ARG A 116 20.129 13.966 -16.405 1.00 0.00 H new ATOM 0 HG2 ARG A 116 17.909 13.039 -15.206 1.00 0.00 H new ATOM 0 HG3 ARG A 116 18.094 14.494 -14.246 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.469 14.644 -16.169 1.00 0.00 H new ATOM 0 HD3 ARG A 116 17.674 15.914 -16.098 1.00 0.00 H new ATOM 0 HE ARG A 116 17.926 13.546 -17.936 1.00 0.00 H new ATOM 0 HH11 ARG A 116 17.842 17.045 -17.476 1.00 0.00 H new ATOM 0 HH12 ARG A 116 18.561 17.384 -19.054 1.00 0.00 H new ATOM 0 HH21 ARG A 116 18.999 13.995 -19.901 1.00 0.00 H new ATOM 0 HH22 ARG A 116 19.211 15.672 -20.416 1.00 0.00 H new ATOM 1753 N GLY A 117 20.529 11.149 -16.623 1.00 0.00 N ATOM 1754 CA GLY A 117 20.164 10.037 -17.476 1.00 0.00 C ATOM 1755 C GLY A 117 20.272 8.727 -16.714 1.00 0.00 C ATOM 1756 O GLY A 117 19.292 7.984 -16.693 1.00 0.00 O ATOM 0 H GLY A 117 21.337 11.679 -16.949 1.00 0.00 H new ATOM 0 HA2 GLY A 117 19.146 10.170 -17.841 1.00 0.00 H new ATOM 0 HA3 GLY A 117 20.815 10.012 -18.350 1.00 0.00 H new ATOM 1760 N GLN A 118 21.399 8.471 -16.036 1.00 0.00 N ATOM 1761 CA GLN A 118 21.578 7.253 -15.260 1.00 0.00 C ATOM 1762 C GLN A 118 20.519 7.158 -14.167 1.00 0.00 C ATOM 1763 O GLN A 118 19.774 6.189 -14.123 1.00 0.00 O ATOM 1764 CB GLN A 118 22.982 7.177 -14.644 1.00 0.00 C ATOM 1765 CG GLN A 118 24.088 6.875 -15.664 1.00 0.00 C ATOM 1766 CD GLN A 118 25.354 6.354 -14.979 1.00 0.00 C ATOM 1767 OE1 GLN A 118 25.304 5.408 -14.192 1.00 0.00 O ATOM 1768 NE2 GLN A 118 26.508 6.943 -15.247 1.00 0.00 N ATOM 0 H GLN A 118 22.201 9.101 -16.014 1.00 0.00 H new ATOM 0 HA GLN A 118 21.465 6.409 -15.941 1.00 0.00 H new ATOM 0 HB2 GLN A 118 23.204 8.123 -14.150 1.00 0.00 H new ATOM 0 HB3 GLN A 118 22.990 6.406 -13.874 1.00 0.00 H new ATOM 0 HG2 GLN A 118 23.731 6.136 -16.382 1.00 0.00 H new ATOM 0 HG3 GLN A 118 24.323 7.779 -16.226 1.00 0.00 H new ATOM 0 HE21 GLN A 118 26.541 7.726 -15.900 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.364 6.614 -14.801 1.00 0.00 H new ATOM 1777 N VAL A 119 20.434 8.169 -13.307 1.00 0.00 N ATOM 1778 CA VAL A 119 19.445 8.300 -12.242 1.00 0.00 C ATOM 1779 C VAL A 119 18.047 7.993 -12.772 1.00 0.00 C ATOM 1780 O VAL A 119 17.375 7.145 -12.187 1.00 0.00 O ATOM 1781 CB VAL A 119 19.529 9.705 -11.595 1.00 0.00 C ATOM 1782 CG1 VAL A 119 18.390 9.961 -10.604 1.00 0.00 C ATOM 1783 CG2 VAL A 119 20.832 9.874 -10.800 1.00 0.00 C ATOM 0 H VAL A 119 21.083 8.955 -13.335 1.00 0.00 H new ATOM 0 HA VAL A 119 19.663 7.571 -11.462 1.00 0.00 H new ATOM 0 HB VAL A 119 19.473 10.407 -12.427 1.00 0.00 H new ATOM 0 HG11 VAL A 119 18.495 10.959 -10.179 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.434 9.886 -11.122 1.00 0.00 H new ATOM 0 HG13 VAL A 119 18.429 9.220 -9.805 1.00 0.00 H new ATOM 0 HG21 VAL A 119 20.862 10.870 -10.358 1.00 0.00 H new ATOM 0 HG22 VAL A 119 20.876 9.125 -10.010 1.00 0.00 H new ATOM 0 HG23 VAL A 119 21.684 9.748 -11.467 1.00 0.00 H new ATOM 1793 N LYS A 120 17.596 8.628 -13.861 1.00 0.00 N ATOM 1794 CA LYS A 120 16.231 8.430 -14.325 1.00 0.00 C ATOM 1795 C LYS A 120 16.025 6.981 -14.742 1.00 0.00 C ATOM 1796 O LYS A 120 15.048 6.357 -14.336 1.00 0.00 O ATOM 1797 CB LYS A 120 15.910 9.407 -15.467 1.00 0.00 C ATOM 1798 CG LYS A 120 14.452 9.255 -15.926 1.00 0.00 C ATOM 1799 CD LYS A 120 14.088 10.222 -17.066 1.00 0.00 C ATOM 1800 CE LYS A 120 14.637 9.754 -18.424 1.00 0.00 C ATOM 1801 NZ LYS A 120 13.876 8.610 -18.992 1.00 0.00 N ATOM 0 H LYS A 120 18.151 9.272 -14.425 1.00 0.00 H new ATOM 0 HA LYS A 120 15.538 8.640 -13.510 1.00 0.00 H new ATOM 0 HB2 LYS A 120 16.086 10.430 -15.136 1.00 0.00 H new ATOM 0 HB3 LYS A 120 16.581 9.224 -16.307 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.284 8.230 -16.256 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.788 9.430 -15.080 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.004 10.316 -17.128 1.00 0.00 H new ATOM 0 HD3 LYS A 120 14.482 11.213 -16.839 1.00 0.00 H new ATOM 0 HE2 LYS A 120 14.611 10.586 -19.127 1.00 0.00 H new ATOM 0 HE3 LYS A 120 15.682 9.467 -18.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.349 8.272 -19.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.835 7.840 -18.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 12.910 8.917 -19.225 1.00 0.00 H new ATOM 1815 N GLU A 121 16.962 6.440 -15.513 1.00 0.00 N ATOM 1816 CA GLU A 121 16.925 5.060 -15.962 1.00 0.00 C ATOM 1817 C GLU A 121 16.870 4.117 -14.763 1.00 0.00 C ATOM 1818 O GLU A 121 16.114 3.151 -14.766 1.00 0.00 O ATOM 1819 CB GLU A 121 18.160 4.805 -16.854 1.00 0.00 C ATOM 1820 CG GLU A 121 19.001 3.555 -16.563 1.00 0.00 C ATOM 1821 CD GLU A 121 20.026 3.290 -17.680 1.00 0.00 C ATOM 1822 OE1 GLU A 121 19.675 2.633 -18.688 1.00 0.00 O ATOM 1823 OE2 GLU A 121 21.198 3.711 -17.556 1.00 0.00 O ATOM 0 H GLU A 121 17.776 6.956 -15.846 1.00 0.00 H new ATOM 0 HA GLU A 121 16.028 4.869 -16.550 1.00 0.00 H new ATOM 0 HB2 GLU A 121 17.821 4.749 -17.888 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.813 5.674 -16.780 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.521 3.678 -15.613 1.00 0.00 H new ATOM 0 HG3 GLU A 121 18.345 2.691 -16.458 1.00 0.00 H new ATOM 1830 N ARG A 122 17.668 4.391 -13.734 1.00 0.00 N ATOM 1831 CA ARG A 122 17.771 3.542 -12.559 1.00 0.00 C ATOM 1832 C ARG A 122 16.477 3.621 -11.744 1.00 0.00 C ATOM 1833 O ARG A 122 15.987 2.572 -11.341 1.00 0.00 O ATOM 1834 CB ARG A 122 19.015 3.922 -11.747 1.00 0.00 C ATOM 1835 CG ARG A 122 20.369 3.598 -12.406 1.00 0.00 C ATOM 1836 CD ARG A 122 21.479 4.372 -11.679 1.00 0.00 C ATOM 1837 NE ARG A 122 22.819 4.137 -12.250 1.00 0.00 N ATOM 1838 CZ ARG A 122 23.741 3.274 -11.806 1.00 0.00 C ATOM 1839 NH1 ARG A 122 23.459 2.414 -10.826 1.00 0.00 N ATOM 1840 NH2 ARG A 122 24.949 3.286 -12.356 1.00 0.00 N ATOM 0 H ARG A 122 18.265 5.217 -13.696 1.00 0.00 H new ATOM 0 HA ARG A 122 17.894 2.501 -12.857 1.00 0.00 H new ATOM 0 HB2 ARG A 122 18.979 4.992 -11.541 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.968 3.411 -10.785 1.00 0.00 H new ATOM 0 HG2 ARG A 122 20.564 2.527 -12.358 1.00 0.00 H new ATOM 0 HG3 ARG A 122 20.349 3.871 -13.461 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.256 5.438 -11.719 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.484 4.086 -10.627 1.00 0.00 H new ATOM 0 HE ARG A 122 23.069 4.690 -13.069 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.530 2.408 -10.404 1.00 0.00 H new ATOM 0 HH12 ARG A 122 24.172 1.762 -10.498 1.00 0.00 H new ATOM 0 HH21 ARG A 122 25.162 3.946 -13.104 1.00 0.00 H new ATOM 0 HH22 ARG A 122 25.664 2.636 -12.030 1.00 0.00 H new ATOM 1854 N VAL A 123 15.875 4.800 -11.541 1.00 0.00 N ATOM 1855 CA VAL A 123 14.542 4.941 -10.971 1.00 0.00 C ATOM 1856 C VAL A 123 13.547 4.095 -11.778 1.00 0.00 C ATOM 1857 O VAL A 123 12.809 3.317 -11.179 1.00 0.00 O ATOM 1858 CB VAL A 123 14.151 6.432 -10.925 1.00 0.00 C ATOM 1859 CG1 VAL A 123 12.690 6.620 -10.520 1.00 0.00 C ATOM 1860 CG2 VAL A 123 14.988 7.232 -9.915 1.00 0.00 C ATOM 0 H VAL A 123 16.312 5.692 -11.774 1.00 0.00 H new ATOM 0 HA VAL A 123 14.526 4.572 -9.945 1.00 0.00 H new ATOM 0 HB VAL A 123 14.330 6.798 -11.936 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.452 7.684 -10.499 1.00 0.00 H new ATOM 0 HG12 VAL A 123 12.045 6.118 -11.241 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.529 6.192 -9.530 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.671 8.275 -9.924 1.00 0.00 H new ATOM 0 HG22 VAL A 123 14.846 6.818 -8.917 1.00 0.00 H new ATOM 0 HG23 VAL A 123 16.042 7.171 -10.187 1.00 0.00 H new ATOM 1870 N GLU A 124 13.531 4.193 -13.114 1.00 0.00 N ATOM 1871 CA GLU A 124 12.620 3.405 -13.944 1.00 0.00 C ATOM 1872 C GLU A 124 12.858 1.908 -13.734 1.00 0.00 C ATOM 1873 O GLU A 124 11.910 1.129 -13.640 1.00 0.00 O ATOM 1874 CB GLU A 124 12.764 3.752 -15.441 1.00 0.00 C ATOM 1875 CG GLU A 124 12.233 5.139 -15.825 1.00 0.00 C ATOM 1876 CD GLU A 124 12.414 5.428 -17.326 1.00 0.00 C ATOM 1877 OE1 GLU A 124 11.645 4.883 -18.151 1.00 0.00 O ATOM 1878 OE2 GLU A 124 13.309 6.225 -17.694 1.00 0.00 O ATOM 0 H GLU A 124 14.143 4.815 -13.642 1.00 0.00 H new ATOM 0 HA GLU A 124 11.605 3.655 -13.635 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.817 3.691 -15.716 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.237 3.000 -16.028 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.176 5.207 -15.567 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.753 5.900 -15.243 1.00 0.00 H new ATOM 1885 N ASN A 125 14.124 1.511 -13.615 1.00 0.00 N ATOM 1886 CA ASN A 125 14.534 0.134 -13.398 1.00 0.00 C ATOM 1887 C ASN A 125 14.007 -0.368 -12.058 1.00 0.00 C ATOM 1888 O ASN A 125 13.445 -1.457 -11.980 1.00 0.00 O ATOM 1889 CB ASN A 125 16.067 0.019 -13.457 1.00 0.00 C ATOM 1890 CG ASN A 125 16.495 -1.360 -13.928 1.00 0.00 C ATOM 1891 OD1 ASN A 125 16.473 -2.333 -13.180 1.00 0.00 O ATOM 1892 ND2 ASN A 125 16.891 -1.459 -15.187 1.00 0.00 N ATOM 0 H ASN A 125 14.910 2.159 -13.669 1.00 0.00 H new ATOM 0 HA ASN A 125 14.113 -0.488 -14.188 1.00 0.00 H new ATOM 0 HB2 ASN A 125 16.466 0.777 -14.131 1.00 0.00 H new ATOM 0 HB3 ASN A 125 16.488 0.217 -12.471 1.00 0.00 H new ATOM 0 HD21 ASN A 125 17.188 -2.361 -15.559 1.00 0.00 H new ATOM 0 HD22 ASN A 125 16.899 -0.633 -15.786 1.00 0.00 H new ATOM 1899 N LEU A 126 14.158 0.443 -11.008 1.00 0.00 N ATOM 1900 CA LEU A 126 13.696 0.131 -9.663 1.00 0.00 C ATOM 1901 C LEU A 126 12.173 0.003 -9.655 1.00 0.00 C ATOM 1902 O LEU A 126 11.665 -1.004 -9.177 1.00 0.00 O ATOM 1903 CB LEU A 126 14.334 1.067 -8.604 1.00 0.00 C ATOM 1904 CG LEU A 126 13.395 2.091 -7.954 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.547 1.484 -6.829 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.168 3.253 -7.341 1.00 0.00 C ATOM 0 H LEU A 126 14.615 1.352 -11.076 1.00 0.00 H new ATOM 0 HA LEU A 126 14.054 -0.849 -9.348 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.766 0.450 -7.816 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.157 1.606 -9.074 1.00 0.00 H new ATOM 0 HG LEU A 126 12.751 2.433 -8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.901 2.253 -6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 126 11.934 0.677 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.202 1.091 -6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.469 3.958 -6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.847 2.875 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.742 3.758 -8.118 1.00 0.00 H new ATOM 1918 N ILE A 127 11.448 0.952 -10.247 1.00 0.00 N ATOM 1919 CA ILE A 127 9.997 0.921 -10.389 1.00 0.00 C ATOM 1920 C ILE A 127 9.556 -0.344 -11.132 1.00 0.00 C ATOM 1921 O ILE A 127 8.531 -0.920 -10.771 1.00 0.00 O ATOM 1922 CB ILE A 127 9.553 2.212 -11.118 1.00 0.00 C ATOM 1923 CG1 ILE A 127 9.648 3.440 -10.186 1.00 0.00 C ATOM 1924 CG2 ILE A 127 8.129 2.085 -11.675 1.00 0.00 C ATOM 1925 CD1 ILE A 127 9.509 4.782 -10.922 1.00 0.00 C ATOM 0 H ILE A 127 11.869 1.788 -10.652 1.00 0.00 H new ATOM 0 HA ILE A 127 9.518 0.887 -9.410 1.00 0.00 H new ATOM 0 HB ILE A 127 10.236 2.356 -11.956 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.870 3.370 -9.426 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.606 3.418 -9.666 1.00 0.00 H new ATOM 0 HG21 ILE A 127 7.852 3.010 -12.180 1.00 0.00 H new ATOM 0 HG22 ILE A 127 8.088 1.258 -12.384 1.00 0.00 H new ATOM 0 HG23 ILE A 127 7.434 1.896 -10.857 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.586 5.600 -10.205 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.302 4.874 -11.664 1.00 0.00 H new ATOM 0 HD13 ILE A 127 8.540 4.825 -11.420 1.00 0.00 H new ATOM 1937 N ALA A 128 10.284 -0.801 -12.151 1.00 0.00 N ATOM 1938 CA ALA A 128 9.838 -1.922 -12.982 1.00 0.00 C ATOM 1939 C ALA A 128 9.669 -3.205 -12.153 1.00 0.00 C ATOM 1940 O ALA A 128 8.839 -4.058 -12.468 1.00 0.00 O ATOM 1941 CB ALA A 128 10.819 -2.146 -14.138 1.00 0.00 C ATOM 0 H ALA A 128 11.187 -0.412 -12.422 1.00 0.00 H new ATOM 0 HA ALA A 128 8.861 -1.669 -13.394 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.477 -2.982 -14.749 1.00 0.00 H new ATOM 0 HB2 ALA A 128 10.871 -1.246 -14.751 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.808 -2.370 -13.738 1.00 0.00 H new ATOM 1947 N LYS A 129 10.452 -3.324 -11.079 1.00 0.00 N ATOM 1948 CA LYS A 129 10.479 -4.456 -10.164 1.00 0.00 C ATOM 1949 C LYS A 129 9.251 -4.504 -9.243 1.00 0.00 C ATOM 1950 O LYS A 129 8.956 -5.565 -8.693 1.00 0.00 O ATOM 1951 CB LYS A 129 11.756 -4.345 -9.325 1.00 0.00 C ATOM 1952 CG LYS A 129 13.024 -4.421 -10.192 1.00 0.00 C ATOM 1953 CD LYS A 129 14.276 -4.062 -9.384 1.00 0.00 C ATOM 1954 CE LYS A 129 15.411 -3.516 -10.267 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.845 -4.443 -11.341 1.00 0.00 N ATOM 0 H LYS A 129 11.115 -2.595 -10.815 1.00 0.00 H new ATOM 0 HA LYS A 129 10.462 -5.377 -10.747 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.748 -3.403 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.774 -5.145 -8.585 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.128 -5.426 -10.600 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.929 -3.742 -11.039 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.017 -3.319 -8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.627 -4.946 -8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.085 -2.580 -10.720 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.268 -3.283 -9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.159 -3.895 -12.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.631 -5.030 -10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.049 -5.055 -11.614 1.00 0.00 H new ATOM 1969 N ILE A 130 8.539 -3.383 -9.074 1.00 0.00 N ATOM 1970 CA ILE A 130 7.498 -3.170 -8.083 1.00 0.00 C ATOM 1971 C ILE A 130 6.152 -2.702 -8.650 1.00 0.00 C ATOM 1972 O ILE A 130 5.122 -2.855 -7.992 1.00 0.00 O ATOM 1973 CB ILE A 130 8.039 -2.173 -7.038 1.00 0.00 C ATOM 1974 CG1 ILE A 130 8.679 -0.896 -7.616 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.013 -2.935 -6.121 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.438 -0.042 -6.600 1.00 0.00 C ATOM 0 H ILE A 130 8.688 -2.562 -9.660 1.00 0.00 H new ATOM 0 HA ILE A 130 7.270 -4.137 -7.634 1.00 0.00 H new ATOM 0 HB ILE A 130 7.185 -1.790 -6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.364 -1.180 -8.415 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.896 -0.287 -8.069 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.413 -2.254 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.485 -3.751 -5.627 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.831 -3.340 -6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.853 0.834 -7.099 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.756 0.278 -5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.247 -0.628 -6.164 1.00 0.00 H new ATOM 1988 N SER A 131 6.174 -2.154 -9.860 1.00 0.00 N ATOM 1989 CA SER A 131 5.014 -1.824 -10.684 1.00 0.00 C ATOM 1990 C SER A 131 3.974 -2.949 -10.640 1.00 0.00 C ATOM 1991 O SER A 131 4.336 -4.123 -10.874 1.00 0.00 O ATOM 1992 CB SER A 131 5.456 -1.561 -12.126 1.00 0.00 C ATOM 1993 OG SER A 131 6.300 -0.433 -12.182 1.00 0.00 O ATOM 1994 OXT SER A 131 2.787 -2.653 -10.391 1.00 0.00 O ATOM 0 H SER A 131 7.052 -1.914 -10.320 1.00 0.00 H new ATOM 0 HA SER A 131 4.551 -0.922 -10.284 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.978 -2.434 -12.518 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.582 -1.401 -12.758 1.00 0.00 H new ATOM 0 HG SER A 131 7.085 -0.583 -11.615 1.00 0.00 H new TER 2000 SER A 131