USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 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 22 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 157:sc= -0.293 (180deg=-1.19) USER MOD Single : A 2 LYS NZ :NH3+ 153:sc= -0.151 (180deg=-0.591) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 143:sc=-0.00101 (180deg=-0.566) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -30:sc= 1.26 USER MOD Single : A 18 LYS NZ :NH3+ -135:sc= -0.718 (180deg=-1.85!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.00088) USER MOD Single : A 23 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.535) USER MOD Single : A 24 MET CE :methyl -175:sc= -2.49 (180deg=-2.58!) USER MOD Single : A 26 MET CE :methyl -158:sc= -2.1! (180deg=-3.79!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -22:sc= -0.967 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.307 K(o=0.31,f=-2.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 60 ASN : amide:sc= -4.82! C(o=-4.8!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.333 45.908 -24.717 1.00 1.26 N ATOM 2 CA LEU A 1 65.726 47.075 -25.414 1.00 0.65 C ATOM 3 C LEU A 1 64.369 46.677 -25.999 1.00 0.58 C ATOM 4 O LEU A 1 63.831 45.635 -25.676 1.00 0.77 O ATOM 5 CB LEU A 1 66.722 47.435 -26.521 1.00 1.19 C ATOM 6 CG LEU A 1 66.681 46.384 -27.637 1.00 1.07 C ATOM 7 CD1 LEU A 1 66.741 47.085 -28.995 1.00 1.38 C ATOM 8 CD2 LEU A 1 67.882 45.447 -27.499 1.00 1.53 C ATOM 0 H1 LEU A 1 67.364 46.033 -24.665 1.00 1.26 H new ATOM 0 H2 LEU A 1 65.944 45.837 -23.755 1.00 1.26 H new ATOM 0 H3 LEU A 1 66.115 45.038 -25.243 1.00 1.26 H new ATOM 0 HA LEU A 1 65.547 47.920 -24.749 1.00 0.65 H new ATOM 0 HB2 LEU A 1 66.484 48.417 -26.929 1.00 1.19 H new ATOM 0 HB3 LEU A 1 67.729 47.497 -26.108 1.00 1.19 H new ATOM 0 HG LEU A 1 65.758 45.808 -27.561 1.00 1.07 H new ATOM 0 HD11 LEU A 1 66.712 46.340 -29.790 1.00 1.38 H new ATOM 0 HD12 LEU A 1 65.889 47.757 -29.096 1.00 1.38 H new ATOM 0 HD13 LEU A 1 67.665 47.658 -29.068 1.00 1.38 H new ATOM 0 HD21 LEU A 1 67.853 44.700 -28.292 1.00 1.53 H new ATOM 0 HD22 LEU A 1 68.804 46.023 -27.577 1.00 1.53 H new ATOM 0 HD23 LEU A 1 67.846 44.949 -26.530 1.00 1.53 H new ATOM 22 N LYS A 2 63.809 47.482 -26.859 1.00 0.45 N ATOM 23 CA LYS A 2 62.490 47.112 -27.451 1.00 0.53 C ATOM 24 C LYS A 2 62.331 47.678 -28.859 1.00 0.43 C ATOM 25 O LYS A 2 63.091 48.518 -29.302 1.00 0.59 O ATOM 26 CB LYS A 2 61.426 47.691 -26.517 1.00 0.71 C ATOM 27 CG LYS A 2 61.880 49.039 -25.948 1.00 1.14 C ATOM 28 CD LYS A 2 62.279 48.865 -24.480 1.00 1.23 C ATOM 29 CE LYS A 2 62.242 50.222 -23.770 1.00 1.98 C ATOM 30 NZ LYS A 2 61.055 50.159 -22.871 1.00 2.63 N ATOM 0 H LYS A 2 64.200 48.369 -27.175 1.00 0.45 H new ATOM 0 HA LYS A 2 62.399 46.030 -27.543 1.00 0.53 H new ATOM 0 HB2 LYS A 2 60.489 47.817 -27.059 1.00 0.71 H new ATOM 0 HB3 LYS A 2 61.232 46.994 -25.702 1.00 0.71 H new ATOM 0 HG2 LYS A 2 62.723 49.423 -26.522 1.00 1.14 H new ATOM 0 HG3 LYS A 2 61.077 49.771 -26.033 1.00 1.14 H new ATOM 0 HD2 LYS A 2 61.600 48.168 -23.989 1.00 1.23 H new ATOM 0 HD3 LYS A 2 63.279 48.436 -24.413 1.00 1.23 H new ATOM 0 HE2 LYS A 2 63.157 50.395 -23.203 1.00 1.98 H new ATOM 0 HE3 LYS A 2 62.151 51.039 -24.486 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 61.200 50.792 -22.059 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 60.207 50.456 -23.394 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 60.928 49.184 -22.531 1.00 2.63 H new ATOM 44 N CYS A 3 61.338 47.212 -29.565 1.00 0.40 N ATOM 45 CA CYS A 3 61.095 47.695 -30.953 1.00 0.40 C ATOM 46 C CYS A 3 59.599 47.945 -31.171 1.00 0.40 C ATOM 47 O CYS A 3 58.762 47.306 -30.566 1.00 0.44 O ATOM 48 CB CYS A 3 61.561 46.551 -31.846 1.00 0.54 C ATOM 49 SG CYS A 3 63.364 46.462 -31.825 1.00 0.68 S ATOM 0 H CYS A 3 60.677 46.509 -29.235 1.00 0.40 H new ATOM 0 HA CYS A 3 61.615 48.630 -31.162 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.136 45.609 -31.499 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.206 46.704 -32.865 1.00 0.54 H new ATOM 54 N ASN A 4 59.257 48.855 -32.041 1.00 0.43 N ATOM 55 CA ASN A 4 57.812 49.122 -32.299 1.00 0.49 C ATOM 56 C ASN A 4 57.091 47.802 -32.586 1.00 0.49 C ATOM 57 O ASN A 4 57.685 46.857 -33.065 1.00 0.55 O ATOM 58 CB ASN A 4 57.790 50.023 -33.537 1.00 0.60 C ATOM 59 CG ASN A 4 57.110 51.349 -33.193 1.00 0.99 C ATOM 60 OD1 ASN A 4 55.936 51.382 -32.885 1.00 1.93 O ATOM 61 ND2 ASN A 4 57.805 52.452 -33.235 1.00 1.09 N ATOM 0 H ASN A 4 59.910 49.422 -32.582 1.00 0.43 H new ATOM 0 HA ASN A 4 57.313 49.589 -31.450 1.00 0.49 H new ATOM 0 HB2 ASN A 4 58.807 50.204 -33.886 1.00 0.60 H new ATOM 0 HB3 ASN A 4 57.257 49.529 -34.349 1.00 0.60 H new ATOM 0 HD21 ASN A 4 57.362 53.343 -33.009 1.00 1.09 H new ATOM 0 HD22 ASN A 4 58.791 52.424 -33.494 1.00 1.09 H new ATOM 68 N LYS A 5 55.817 47.726 -32.307 1.00 0.52 N ATOM 69 CA LYS A 5 55.086 46.458 -32.581 1.00 0.60 C ATOM 70 C LYS A 5 54.507 46.492 -33.991 1.00 0.71 C ATOM 71 O LYS A 5 54.833 47.350 -34.788 1.00 1.48 O ATOM 72 CB LYS A 5 53.941 46.408 -31.571 1.00 0.68 C ATOM 73 CG LYS A 5 54.357 45.599 -30.348 1.00 1.03 C ATOM 74 CD LYS A 5 53.620 44.262 -30.374 1.00 1.48 C ATOM 75 CE LYS A 5 54.362 43.248 -29.504 1.00 1.84 C ATOM 76 NZ LYS A 5 54.295 43.810 -28.128 1.00 2.49 N ATOM 0 H LYS A 5 55.257 48.478 -31.906 1.00 0.52 H new ATOM 0 HA LYS A 5 55.743 45.592 -32.499 1.00 0.60 H new ATOM 0 HB2 LYS A 5 53.665 47.419 -31.271 1.00 0.68 H new ATOM 0 HB3 LYS A 5 53.060 45.960 -32.030 1.00 0.68 H new ATOM 0 HG2 LYS A 5 55.435 45.437 -30.351 1.00 1.03 H new ATOM 0 HG3 LYS A 5 54.119 46.144 -29.435 1.00 1.03 H new ATOM 0 HD2 LYS A 5 52.601 44.391 -30.010 1.00 1.48 H new ATOM 0 HD3 LYS A 5 53.549 43.895 -31.398 1.00 1.48 H new ATOM 0 HE2 LYS A 5 53.893 42.265 -29.554 1.00 1.84 H new ATOM 0 HE3 LYS A 5 55.394 43.125 -29.832 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 54.176 43.037 -27.443 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 55.174 44.325 -27.920 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 53.488 44.462 -28.058 1.00 2.49 H new ATOM 90 N LEU A 6 53.623 45.587 -34.297 1.00 0.53 N ATOM 91 CA LEU A 6 53.000 45.600 -35.643 1.00 0.57 C ATOM 92 C LEU A 6 51.991 46.755 -35.699 1.00 0.62 C ATOM 93 O LEU A 6 51.590 47.193 -36.759 1.00 0.72 O ATOM 94 CB LEU A 6 52.309 44.243 -35.780 1.00 0.59 C ATOM 95 CG LEU A 6 52.900 43.470 -36.958 1.00 0.70 C ATOM 96 CD1 LEU A 6 52.833 41.971 -36.660 1.00 1.22 C ATOM 97 CD2 LEU A 6 52.102 43.770 -38.225 1.00 0.78 C ATOM 0 H LEU A 6 53.307 44.843 -33.675 1.00 0.53 H new ATOM 0 HA LEU A 6 53.714 45.749 -36.453 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.431 43.670 -34.861 1.00 0.59 H new ATOM 0 HB3 LEU A 6 51.238 44.385 -35.928 1.00 0.59 H new ATOM 0 HG LEU A 6 53.937 43.772 -37.106 1.00 0.70 H new ATOM 0 HD11 LEU A 6 53.254 41.414 -37.498 1.00 1.22 H new ATOM 0 HD12 LEU A 6 53.403 41.754 -35.757 1.00 1.22 H new ATOM 0 HD13 LEU A 6 51.794 41.675 -36.513 1.00 1.22 H new ATOM 0 HD21 LEU A 6 52.527 43.217 -39.062 1.00 0.78 H new ATOM 0 HD22 LEU A 6 51.064 43.470 -38.081 1.00 0.78 H new ATOM 0 HD23 LEU A 6 52.144 44.838 -38.437 1.00 0.78 H new ATOM 109 N VAL A 7 51.601 47.268 -34.552 1.00 0.61 N ATOM 110 CA VAL A 7 50.642 48.416 -34.527 1.00 0.71 C ATOM 111 C VAL A 7 51.371 49.683 -34.064 1.00 0.70 C ATOM 112 O VAL A 7 52.149 49.632 -33.132 1.00 0.62 O ATOM 113 CB VAL A 7 49.567 48.034 -33.509 1.00 0.73 C ATOM 114 CG1 VAL A 7 48.547 49.172 -33.401 1.00 0.93 C ATOM 115 CG2 VAL A 7 48.866 46.755 -33.965 1.00 0.79 C ATOM 0 H VAL A 7 51.906 46.940 -33.636 1.00 0.61 H new ATOM 0 HA VAL A 7 50.215 48.613 -35.510 1.00 0.71 H new ATOM 0 HB VAL A 7 50.026 47.864 -32.535 1.00 0.73 H new ATOM 0 HG11 VAL A 7 47.778 48.904 -32.676 1.00 0.93 H new ATOM 0 HG12 VAL A 7 49.051 50.082 -33.076 1.00 0.93 H new ATOM 0 HG13 VAL A 7 48.085 49.340 -34.374 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.099 46.482 -33.240 1.00 0.79 H new ATOM 0 HG22 VAL A 7 48.403 46.921 -34.938 1.00 0.79 H new ATOM 0 HG23 VAL A 7 49.595 45.949 -34.043 1.00 0.79 H new ATOM 125 N PRO A 8 51.108 50.785 -34.724 1.00 0.84 N ATOM 126 CA PRO A 8 51.763 52.064 -34.357 1.00 0.91 C ATOM 127 C PRO A 8 51.275 52.550 -32.988 1.00 0.92 C ATOM 128 O PRO A 8 50.810 53.662 -32.852 1.00 1.21 O ATOM 129 CB PRO A 8 51.292 53.009 -35.464 1.00 1.09 C ATOM 130 CG PRO A 8 50.372 52.227 -36.424 1.00 1.12 C ATOM 131 CD PRO A 8 50.160 50.816 -35.862 1.00 0.97 C ATOM 0 HA PRO A 8 52.848 51.990 -34.278 1.00 0.91 H new ATOM 0 HB2 PRO A 8 50.757 53.857 -35.035 1.00 1.09 H new ATOM 0 HB3 PRO A 8 52.148 53.413 -36.006 1.00 1.09 H new ATOM 0 HG2 PRO A 8 49.416 52.739 -36.531 1.00 1.12 H new ATOM 0 HG3 PRO A 8 50.819 52.175 -37.417 1.00 1.12 H new ATOM 0 HD2 PRO A 8 49.131 50.657 -35.539 1.00 0.97 H new ATOM 0 HD3 PRO A 8 50.385 50.046 -36.600 1.00 0.97 H new ATOM 139 N LEU A 9 51.383 51.732 -31.972 1.00 0.78 N ATOM 140 CA LEU A 9 50.926 52.158 -30.625 1.00 0.82 C ATOM 141 C LEU A 9 51.774 51.495 -29.533 1.00 0.72 C ATOM 142 O LEU A 9 52.194 52.136 -28.589 1.00 0.84 O ATOM 143 CB LEU A 9 49.469 51.695 -30.529 1.00 0.87 C ATOM 144 CG LEU A 9 48.549 52.761 -31.127 1.00 1.12 C ATOM 145 CD1 LEU A 9 47.489 52.096 -32.007 1.00 1.82 C ATOM 146 CD2 LEU A 9 47.861 53.529 -29.999 1.00 1.60 C ATOM 0 H LEU A 9 51.768 50.789 -32.022 1.00 0.78 H new ATOM 0 HA LEU A 9 51.021 53.235 -30.486 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.341 50.751 -31.060 1.00 0.87 H new ATOM 0 HB3 LEU A 9 49.203 51.514 -29.488 1.00 0.87 H new ATOM 0 HG LEU A 9 49.141 53.448 -31.732 1.00 1.12 H new ATOM 0 HD11 LEU A 9 46.836 52.860 -32.430 1.00 1.82 H new ATOM 0 HD12 LEU A 9 47.977 51.548 -32.813 1.00 1.82 H new ATOM 0 HD13 LEU A 9 46.897 51.406 -31.405 1.00 1.82 H new ATOM 0 HD21 LEU A 9 47.205 54.289 -30.424 1.00 1.60 H new ATOM 0 HD22 LEU A 9 47.273 52.838 -29.395 1.00 1.60 H new ATOM 0 HD23 LEU A 9 48.614 54.008 -29.373 1.00 1.60 H new ATOM 158 N PHE A 10 52.027 50.218 -29.646 1.00 0.57 N ATOM 159 CA PHE A 10 52.845 49.535 -28.596 1.00 0.55 C ATOM 160 C PHE A 10 54.124 48.958 -29.198 1.00 0.49 C ATOM 161 O PHE A 10 54.367 49.052 -30.381 1.00 0.52 O ATOM 162 CB PHE A 10 51.984 48.399 -28.009 1.00 0.62 C ATOM 163 CG PHE A 10 50.722 48.167 -28.825 1.00 0.64 C ATOM 164 CD1 PHE A 10 49.733 49.156 -28.875 1.00 0.75 C ATOM 165 CD2 PHE A 10 50.535 46.957 -29.514 1.00 0.77 C ATOM 166 CE1 PHE A 10 48.561 48.943 -29.606 1.00 0.89 C ATOM 167 CE2 PHE A 10 49.361 46.747 -30.248 1.00 0.92 C ATOM 168 CZ PHE A 10 48.375 47.738 -30.294 1.00 0.94 C ATOM 0 H PHE A 10 51.708 49.622 -30.410 1.00 0.57 H new ATOM 0 HA PHE A 10 53.134 50.247 -27.823 1.00 0.55 H new ATOM 0 HB2 PHE A 10 52.569 47.480 -27.975 1.00 0.62 H new ATOM 0 HB3 PHE A 10 51.713 48.642 -26.982 1.00 0.62 H new ATOM 0 HD1 PHE A 10 49.876 50.087 -28.347 1.00 0.75 H new ATOM 0 HD2 PHE A 10 51.295 46.190 -29.478 1.00 0.77 H new ATOM 0 HE1 PHE A 10 47.799 49.708 -29.640 1.00 0.89 H new ATOM 0 HE2 PHE A 10 49.217 45.818 -30.780 1.00 0.92 H new ATOM 0 HZ PHE A 10 47.470 47.574 -30.860 1.00 0.94 H new ATOM 178 N TYR A 11 54.954 48.374 -28.376 1.00 0.47 N ATOM 179 CA TYR A 11 56.225 47.786 -28.880 1.00 0.44 C ATOM 180 C TYR A 11 56.636 46.592 -28.008 1.00 0.49 C ATOM 181 O TYR A 11 56.058 46.353 -26.967 1.00 0.62 O ATOM 182 CB TYR A 11 57.239 48.919 -28.768 1.00 0.42 C ATOM 183 CG TYR A 11 57.187 49.494 -27.373 1.00 0.44 C ATOM 184 CD1 TYR A 11 56.133 50.331 -26.992 1.00 0.69 C ATOM 185 CD2 TYR A 11 58.194 49.186 -26.459 1.00 0.70 C ATOM 186 CE1 TYR A 11 56.092 50.856 -25.693 1.00 0.80 C ATOM 187 CE2 TYR A 11 58.157 49.706 -25.164 1.00 0.76 C ATOM 188 CZ TYR A 11 57.103 50.542 -24.779 1.00 0.67 C ATOM 189 OH TYR A 11 57.065 51.058 -23.498 1.00 0.83 O ATOM 0 H TYR A 11 54.804 48.279 -27.372 1.00 0.47 H new ATOM 0 HA TYR A 11 56.143 47.411 -29.900 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.241 48.549 -28.985 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.019 49.694 -29.502 1.00 0.42 H new ATOM 0 HD1 TYR A 11 55.352 50.572 -27.698 1.00 0.69 H new ATOM 0 HD2 TYR A 11 59.008 48.541 -26.755 1.00 0.70 H new ATOM 0 HE1 TYR A 11 55.279 51.503 -25.398 1.00 0.80 H new ATOM 0 HE2 TYR A 11 58.940 49.464 -24.461 1.00 0.76 H new ATOM 0 HH TYR A 11 57.842 50.739 -22.994 1.00 0.83 H new ATOM 199 N LYS A 12 57.634 45.848 -28.410 1.00 0.50 N ATOM 200 CA LYS A 12 58.069 44.685 -27.577 1.00 0.59 C ATOM 201 C LYS A 12 59.565 44.787 -27.262 1.00 0.49 C ATOM 202 O LYS A 12 60.224 45.730 -27.643 1.00 0.49 O ATOM 203 CB LYS A 12 57.785 43.441 -28.418 1.00 0.74 C ATOM 204 CG LYS A 12 57.285 42.316 -27.503 1.00 1.20 C ATOM 205 CD LYS A 12 58.369 41.242 -27.364 1.00 1.50 C ATOM 206 CE LYS A 12 58.482 40.807 -25.898 1.00 1.68 C ATOM 207 NZ LYS A 12 59.278 39.546 -25.933 1.00 2.19 N ATOM 0 H LYS A 12 58.163 45.992 -29.270 1.00 0.50 H new ATOM 0 HA LYS A 12 57.541 44.653 -26.624 1.00 0.59 H new ATOM 0 HB2 LYS A 12 57.038 43.665 -29.180 1.00 0.74 H new ATOM 0 HB3 LYS A 12 58.689 43.127 -28.940 1.00 0.74 H new ATOM 0 HG2 LYS A 12 57.030 42.718 -26.522 1.00 1.20 H new ATOM 0 HG3 LYS A 12 56.376 41.877 -27.914 1.00 1.20 H new ATOM 0 HD2 LYS A 12 58.126 40.384 -27.990 1.00 1.50 H new ATOM 0 HD3 LYS A 12 59.326 41.630 -27.713 1.00 1.50 H new ATOM 0 HE2 LYS A 12 58.976 41.570 -25.296 1.00 1.68 H new ATOM 0 HE3 LYS A 12 57.499 40.642 -25.458 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 59.399 39.185 -24.965 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 58.780 38.837 -26.507 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 60.211 39.736 -26.351 1.00 2.19 H new ATOM 221 N THR A 13 60.097 43.819 -26.567 1.00 0.64 N ATOM 222 CA THR A 13 61.548 43.861 -26.220 1.00 0.62 C ATOM 223 C THR A 13 62.356 42.997 -27.202 1.00 0.66 C ATOM 224 O THR A 13 61.808 42.343 -28.070 1.00 0.75 O ATOM 225 CB THR A 13 61.613 43.327 -24.772 1.00 0.70 C ATOM 226 OG1 THR A 13 62.338 44.247 -23.970 1.00 1.06 O ATOM 227 CG2 THR A 13 62.306 41.958 -24.716 1.00 1.08 C ATOM 0 H THR A 13 59.592 43.002 -26.225 1.00 0.64 H new ATOM 0 HA THR A 13 61.980 44.859 -26.291 1.00 0.62 H new ATOM 0 HB THR A 13 60.595 43.214 -24.400 1.00 0.70 H new ATOM 0 HG1 THR A 13 63.006 44.706 -24.521 1.00 1.06 H new ATOM 0 HG21 THR A 13 62.337 41.608 -23.684 1.00 1.08 H new ATOM 0 HG22 THR A 13 61.751 41.244 -25.325 1.00 1.08 H new ATOM 0 HG23 THR A 13 63.323 42.049 -25.099 1.00 1.08 H new ATOM 235 N CYS A 14 63.656 42.983 -27.064 1.00 0.65 N ATOM 236 CA CYS A 14 64.503 42.158 -27.977 1.00 0.76 C ATOM 237 C CYS A 14 65.550 41.394 -27.159 1.00 0.87 C ATOM 238 O CYS A 14 66.123 41.940 -26.238 1.00 0.99 O ATOM 239 CB CYS A 14 65.189 43.158 -28.912 1.00 0.75 C ATOM 240 SG CYS A 14 63.976 44.346 -29.548 1.00 1.34 S ATOM 0 H CYS A 14 64.169 43.509 -26.357 1.00 0.65 H new ATOM 0 HA CYS A 14 63.918 41.425 -28.531 1.00 0.76 H new ATOM 0 HB2 CYS A 14 65.980 43.684 -28.378 1.00 0.75 H new ATOM 0 HB3 CYS A 14 65.661 42.629 -29.740 1.00 0.75 H new ATOM 245 N PRO A 15 65.763 40.151 -27.512 1.00 1.06 N ATOM 246 CA PRO A 15 66.746 39.319 -26.786 1.00 1.31 C ATOM 247 C PRO A 15 68.171 39.844 -27.002 1.00 1.16 C ATOM 248 O PRO A 15 68.411 40.697 -27.832 1.00 1.40 O ATOM 249 CB PRO A 15 66.551 37.941 -27.425 1.00 1.54 C ATOM 250 CG PRO A 15 65.454 38.041 -28.499 1.00 1.54 C ATOM 251 CD PRO A 15 65.043 39.510 -28.640 1.00 1.24 C ATOM 0 HA PRO A 15 66.605 39.314 -25.705 1.00 1.31 H new ATOM 0 HB2 PRO A 15 67.484 37.596 -27.870 1.00 1.54 H new ATOM 0 HB3 PRO A 15 66.271 37.210 -26.667 1.00 1.54 H new ATOM 0 HG2 PRO A 15 65.820 37.657 -29.451 1.00 1.54 H new ATOM 0 HG3 PRO A 15 64.594 37.432 -28.220 1.00 1.54 H new ATOM 0 HD2 PRO A 15 65.343 39.925 -29.602 1.00 1.24 H new ATOM 0 HD3 PRO A 15 63.964 39.640 -28.559 1.00 1.24 H new ATOM 259 N ALA A 16 69.115 39.343 -26.250 1.00 1.32 N ATOM 260 CA ALA A 16 70.523 39.816 -26.404 1.00 1.21 C ATOM 261 C ALA A 16 71.068 39.431 -27.779 1.00 0.92 C ATOM 262 O ALA A 16 70.619 38.483 -28.394 1.00 1.02 O ATOM 263 CB ALA A 16 71.304 39.108 -25.296 1.00 1.58 C ATOM 0 H ALA A 16 68.973 38.628 -25.537 1.00 1.32 H new ATOM 0 HA ALA A 16 70.602 40.900 -26.328 1.00 1.21 H new ATOM 0 HB1 ALA A 16 72.352 39.405 -25.343 1.00 1.58 H new ATOM 0 HB2 ALA A 16 70.891 39.385 -24.326 1.00 1.58 H new ATOM 0 HB3 ALA A 16 71.226 38.029 -25.429 1.00 1.58 H new ATOM 269 N GLY A 17 72.026 40.166 -28.275 1.00 0.84 N ATOM 270 CA GLY A 17 72.589 39.851 -29.616 1.00 0.75 C ATOM 271 C GLY A 17 71.649 40.392 -30.694 1.00 0.63 C ATOM 272 O GLY A 17 71.954 40.363 -31.870 1.00 0.83 O ATOM 0 H GLY A 17 72.443 40.971 -27.808 1.00 0.84 H new ATOM 0 HA2 GLY A 17 73.578 40.296 -29.722 1.00 0.75 H new ATOM 0 HA3 GLY A 17 72.710 38.774 -29.729 1.00 0.75 H new ATOM 276 N LYS A 18 70.508 40.892 -30.300 1.00 0.60 N ATOM 277 CA LYS A 18 69.550 41.445 -31.292 1.00 0.58 C ATOM 278 C LYS A 18 69.233 42.887 -30.939 1.00 0.59 C ATOM 279 O LYS A 18 68.334 43.165 -30.172 1.00 0.88 O ATOM 280 CB LYS A 18 68.291 40.585 -31.174 1.00 0.71 C ATOM 281 CG LYS A 18 68.669 39.127 -31.319 1.00 1.60 C ATOM 282 CD LYS A 18 67.411 38.266 -31.339 1.00 2.39 C ATOM 283 CE LYS A 18 67.750 36.860 -30.835 1.00 2.98 C ATOM 284 NZ LYS A 18 66.527 36.046 -31.094 1.00 3.59 N ATOM 0 H LYS A 18 70.200 40.940 -29.329 1.00 0.60 H new ATOM 0 HA LYS A 18 69.952 41.429 -32.305 1.00 0.58 H new ATOM 0 HB2 LYS A 18 67.810 40.754 -30.211 1.00 0.71 H new ATOM 0 HB3 LYS A 18 67.572 40.865 -31.944 1.00 0.71 H new ATOM 0 HG2 LYS A 18 69.237 38.979 -32.238 1.00 1.60 H new ATOM 0 HG3 LYS A 18 69.314 38.825 -30.494 1.00 1.60 H new ATOM 0 HD2 LYS A 18 66.640 38.714 -30.711 1.00 2.39 H new ATOM 0 HD3 LYS A 18 67.008 38.215 -32.350 1.00 2.39 H new ATOM 0 HE2 LYS A 18 68.613 36.451 -31.360 1.00 2.98 H new ATOM 0 HE3 LYS A 18 67.998 36.871 -29.774 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 66.312 35.466 -30.258 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 65.725 36.678 -31.292 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 66.690 35.426 -31.913 1.00 3.59 H new ATOM 298 N ASN A 19 69.943 43.814 -31.504 1.00 0.40 N ATOM 299 CA ASN A 19 69.649 45.222 -31.206 1.00 0.50 C ATOM 300 C ASN A 19 68.848 45.783 -32.362 1.00 0.47 C ATOM 301 O ASN A 19 68.591 46.968 -32.434 1.00 0.60 O ATOM 302 CB ASN A 19 71.005 45.914 -31.072 1.00 0.65 C ATOM 303 CG ASN A 19 70.910 47.009 -30.013 1.00 1.16 C ATOM 304 OD1 ASN A 19 70.477 48.109 -30.292 1.00 1.93 O ATOM 305 ND2 ASN A 19 71.299 46.752 -28.797 1.00 1.75 N ATOM 0 H ASN A 19 70.710 43.652 -32.156 1.00 0.40 H new ATOM 0 HA ASN A 19 69.069 45.362 -30.294 1.00 0.50 H new ATOM 0 HB2 ASN A 19 71.770 45.189 -30.794 1.00 0.65 H new ATOM 0 HB3 ASN A 19 71.304 46.342 -32.029 1.00 0.65 H new ATOM 0 HD21 ASN A 19 71.240 47.474 -28.079 1.00 1.75 H new ATOM 0 HD22 ASN A 19 71.663 45.828 -28.562 1.00 1.75 H new ATOM 312 N LEU A 20 68.425 44.942 -33.277 1.00 0.40 N ATOM 313 CA LEU A 20 67.628 45.479 -34.393 1.00 0.48 C ATOM 314 C LEU A 20 66.229 44.887 -34.365 1.00 0.38 C ATOM 315 O LEU A 20 65.944 43.938 -33.664 1.00 0.56 O ATOM 316 CB LEU A 20 68.322 45.123 -35.728 1.00 0.64 C ATOM 317 CG LEU A 20 69.628 44.358 -35.519 1.00 0.77 C ATOM 318 CD1 LEU A 20 69.320 42.879 -35.472 1.00 1.13 C ATOM 319 CD2 LEU A 20 70.569 44.614 -36.696 1.00 1.34 C ATOM 0 H LEU A 20 68.598 43.937 -33.290 1.00 0.40 H new ATOM 0 HA LEU A 20 67.552 46.562 -34.297 1.00 0.48 H new ATOM 0 HB2 LEU A 20 67.646 44.523 -36.337 1.00 0.64 H new ATOM 0 HB3 LEU A 20 68.525 46.038 -36.284 1.00 0.64 H new ATOM 0 HG LEU A 20 70.097 44.687 -34.592 1.00 0.77 H new ATOM 0 HD11 LEU A 20 70.244 42.320 -35.323 1.00 1.13 H new ATOM 0 HD12 LEU A 20 68.636 42.676 -34.648 1.00 1.13 H new ATOM 0 HD13 LEU A 20 68.858 42.574 -36.411 1.00 1.13 H new ATOM 0 HD21 LEU A 20 71.499 44.067 -36.544 1.00 1.34 H new ATOM 0 HD22 LEU A 20 70.097 44.277 -37.619 1.00 1.34 H new ATOM 0 HD23 LEU A 20 70.783 45.681 -36.766 1.00 1.34 H new ATOM 331 N CYS A 21 65.369 45.445 -35.145 1.00 0.29 N ATOM 332 CA CYS A 21 63.976 44.940 -35.210 1.00 0.31 C ATOM 333 C CYS A 21 63.706 44.526 -36.641 1.00 0.32 C ATOM 334 O CYS A 21 64.280 45.074 -37.558 1.00 0.49 O ATOM 335 CB CYS A 21 63.066 46.103 -34.816 1.00 0.44 C ATOM 336 SG CYS A 21 63.891 47.197 -33.626 1.00 0.57 S ATOM 0 H CYS A 21 65.568 46.241 -35.751 1.00 0.29 H new ATOM 0 HA CYS A 21 63.806 44.090 -34.549 1.00 0.31 H new ATOM 0 HB2 CYS A 21 62.788 46.670 -35.705 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.143 45.717 -34.382 1.00 0.44 H new ATOM 341 N TYR A 22 62.867 43.558 -36.851 1.00 0.30 N ATOM 342 CA TYR A 22 62.610 43.122 -38.245 1.00 0.31 C ATOM 343 C TYR A 22 61.138 43.296 -38.630 1.00 0.31 C ATOM 344 O TYR A 22 60.249 42.791 -37.975 1.00 0.41 O ATOM 345 CB TYR A 22 63.010 41.653 -38.270 1.00 0.36 C ATOM 346 CG TYR A 22 61.958 40.824 -37.583 1.00 0.38 C ATOM 347 CD1 TYR A 22 61.979 40.675 -36.192 1.00 0.47 C ATOM 348 CD2 TYR A 22 60.973 40.192 -38.343 1.00 0.54 C ATOM 349 CE1 TYR A 22 61.012 39.891 -35.560 1.00 0.52 C ATOM 350 CE2 TYR A 22 60.000 39.409 -37.712 1.00 0.63 C ATOM 351 CZ TYR A 22 60.020 39.256 -36.319 1.00 0.55 C ATOM 352 OH TYR A 22 59.065 38.479 -35.697 1.00 0.66 O ATOM 0 H TYR A 22 62.353 43.055 -36.128 1.00 0.30 H new ATOM 0 HA TYR A 22 63.172 43.718 -38.964 1.00 0.31 H new ATOM 0 HB2 TYR A 22 63.134 41.318 -39.300 1.00 0.36 H new ATOM 0 HB3 TYR A 22 63.971 41.520 -37.774 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.743 41.166 -35.607 1.00 0.47 H new ATOM 0 HD2 TYR A 22 60.962 40.307 -39.417 1.00 0.54 H new ATOM 0 HE1 TYR A 22 61.029 39.774 -34.486 1.00 0.52 H new ATOM 0 HE2 TYR A 22 59.234 38.923 -38.298 1.00 0.63 H new ATOM 0 HH TYR A 22 58.901 38.823 -34.794 1.00 0.66 H new ATOM 362 N LYS A 23 60.882 43.994 -39.707 1.00 0.39 N ATOM 363 CA LYS A 23 59.470 44.187 -40.164 1.00 0.44 C ATOM 364 C LYS A 23 59.289 43.555 -41.551 1.00 0.45 C ATOM 365 O LYS A 23 59.800 44.053 -42.528 1.00 0.54 O ATOM 366 CB LYS A 23 59.238 45.705 -40.243 1.00 0.56 C ATOM 367 CG LYS A 23 60.328 46.392 -41.075 1.00 1.11 C ATOM 368 CD LYS A 23 60.776 47.669 -40.357 1.00 1.49 C ATOM 369 CE LYS A 23 60.432 48.890 -41.213 1.00 1.72 C ATOM 370 NZ LYS A 23 60.922 50.059 -40.430 1.00 2.18 N ATOM 0 H LYS A 23 61.590 44.440 -40.291 1.00 0.39 H new ATOM 0 HA LYS A 23 58.761 43.718 -39.482 1.00 0.44 H new ATOM 0 HB2 LYS A 23 58.261 45.903 -40.684 1.00 0.56 H new ATOM 0 HB3 LYS A 23 59.225 46.126 -39.238 1.00 0.56 H new ATOM 0 HG2 LYS A 23 61.176 45.721 -41.212 1.00 1.11 H new ATOM 0 HG3 LYS A 23 59.948 46.632 -42.068 1.00 1.11 H new ATOM 0 HD2 LYS A 23 60.285 47.743 -39.387 1.00 1.49 H new ATOM 0 HD3 LYS A 23 61.849 47.635 -40.170 1.00 1.49 H new ATOM 0 HE2 LYS A 23 60.916 48.837 -42.188 1.00 1.72 H new ATOM 0 HE3 LYS A 23 59.359 48.957 -41.393 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 61.039 50.876 -41.063 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 60.233 50.292 -39.687 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 61.837 49.826 -39.994 1.00 2.18 H new ATOM 384 N MET A 24 58.588 42.451 -41.644 1.00 0.47 N ATOM 385 CA MET A 24 58.417 41.781 -42.982 1.00 0.53 C ATOM 386 C MET A 24 57.078 42.149 -43.661 1.00 0.53 C ATOM 387 O MET A 24 56.028 42.116 -43.043 1.00 0.59 O ATOM 388 CB MET A 24 58.458 40.264 -42.694 1.00 0.63 C ATOM 389 CG MET A 24 59.450 39.940 -41.564 1.00 0.99 C ATOM 390 SD MET A 24 59.037 38.329 -40.851 1.00 1.69 S ATOM 391 CE MET A 24 59.407 37.334 -42.315 1.00 2.37 C ATOM 0 H MET A 24 58.129 41.984 -40.862 1.00 0.47 H new ATOM 0 HA MET A 24 59.200 42.104 -43.668 1.00 0.53 H new ATOM 0 HB2 MET A 24 57.462 39.916 -42.418 1.00 0.63 H new ATOM 0 HB3 MET A 24 58.744 39.727 -43.598 1.00 0.63 H new ATOM 0 HG2 MET A 24 60.469 39.929 -41.951 1.00 0.99 H new ATOM 0 HG3 MET A 24 59.409 40.712 -40.796 1.00 0.99 H new ATOM 0 HE1 MET A 24 59.135 36.295 -42.127 1.00 2.37 H new ATOM 0 HE2 MET A 24 58.837 37.710 -43.164 1.00 2.37 H new ATOM 0 HE3 MET A 24 60.472 37.396 -42.537 1.00 2.37 H new ATOM 401 N PHE A 25 57.123 42.467 -44.949 1.00 0.53 N ATOM 402 CA PHE A 25 55.871 42.812 -45.730 1.00 0.58 C ATOM 403 C PHE A 25 55.965 42.239 -47.145 1.00 0.50 C ATOM 404 O PHE A 25 56.903 41.557 -47.492 1.00 0.49 O ATOM 405 CB PHE A 25 55.812 44.338 -45.878 1.00 0.70 C ATOM 406 CG PHE A 25 57.196 44.903 -45.853 1.00 0.61 C ATOM 407 CD1 PHE A 25 58.075 44.634 -46.902 1.00 0.84 C ATOM 408 CD2 PHE A 25 57.601 45.689 -44.778 1.00 0.78 C ATOM 409 CE1 PHE A 25 59.362 45.157 -46.874 1.00 0.86 C ATOM 410 CE2 PHE A 25 58.886 46.214 -44.746 1.00 0.83 C ATOM 411 CZ PHE A 25 59.769 45.946 -45.796 1.00 0.70 C ATOM 0 H PHE A 25 57.983 42.502 -45.496 1.00 0.53 H new ATOM 0 HA PHE A 25 55.001 42.410 -45.211 1.00 0.58 H new ATOM 0 HB2 PHE A 25 55.318 44.603 -46.813 1.00 0.70 H new ATOM 0 HB3 PHE A 25 55.219 44.768 -45.071 1.00 0.70 H new ATOM 0 HD1 PHE A 25 57.757 44.022 -47.733 1.00 0.84 H new ATOM 0 HD2 PHE A 25 56.915 45.891 -43.968 1.00 0.78 H new ATOM 0 HE1 PHE A 25 60.046 44.954 -47.684 1.00 0.86 H new ATOM 0 HE2 PHE A 25 59.202 46.826 -43.914 1.00 0.83 H new ATOM 0 HZ PHE A 25 60.770 46.351 -45.773 1.00 0.70 H new ATOM 421 N MET A 26 55.015 42.567 -47.976 1.00 0.56 N ATOM 422 CA MET A 26 55.054 42.098 -49.390 1.00 0.61 C ATOM 423 C MET A 26 55.636 43.213 -50.266 1.00 0.69 C ATOM 424 O MET A 26 55.404 44.381 -50.026 1.00 1.30 O ATOM 425 CB MET A 26 53.595 41.828 -49.758 1.00 0.72 C ATOM 426 CG MET A 26 53.366 40.320 -49.864 1.00 0.91 C ATOM 427 SD MET A 26 51.948 39.852 -48.843 1.00 1.46 S ATOM 428 CE MET A 26 52.494 40.655 -47.315 1.00 1.96 C ATOM 0 H MET A 26 54.209 43.143 -47.735 1.00 0.56 H new ATOM 0 HA MET A 26 55.670 41.210 -49.530 1.00 0.61 H new ATOM 0 HB2 MET A 26 52.934 42.255 -49.004 1.00 0.72 H new ATOM 0 HB3 MET A 26 53.352 42.311 -50.705 1.00 0.72 H new ATOM 0 HG2 MET A 26 53.188 40.041 -50.902 1.00 0.91 H new ATOM 0 HG3 MET A 26 54.256 39.782 -49.537 1.00 0.91 H new ATOM 0 HE1 MET A 26 51.997 40.192 -46.463 1.00 1.96 H new ATOM 0 HE2 MET A 26 53.573 40.543 -47.210 1.00 1.96 H new ATOM 0 HE3 MET A 26 52.241 41.715 -47.351 1.00 1.96 H new ATOM 438 N VAL A 27 56.392 42.877 -51.275 1.00 0.76 N ATOM 439 CA VAL A 27 56.973 43.946 -52.139 1.00 0.80 C ATOM 440 C VAL A 27 55.854 44.703 -52.854 1.00 0.91 C ATOM 441 O VAL A 27 56.062 45.762 -53.412 1.00 1.08 O ATOM 442 CB VAL A 27 57.876 43.227 -53.140 1.00 0.93 C ATOM 443 CG1 VAL A 27 58.631 44.264 -53.980 1.00 1.11 C ATOM 444 CG2 VAL A 27 58.879 42.358 -52.375 1.00 1.06 C ATOM 0 H VAL A 27 56.631 41.921 -51.537 1.00 0.76 H new ATOM 0 HA VAL A 27 57.536 44.680 -51.562 1.00 0.80 H new ATOM 0 HB VAL A 27 57.274 42.599 -53.797 1.00 0.93 H new ATOM 0 HG11 VAL A 27 59.276 43.753 -54.695 1.00 1.11 H new ATOM 0 HG12 VAL A 27 57.916 44.887 -54.517 1.00 1.11 H new ATOM 0 HG13 VAL A 27 59.238 44.890 -53.326 1.00 1.11 H new ATOM 0 HG21 VAL A 27 59.527 41.841 -53.083 1.00 1.06 H new ATOM 0 HG22 VAL A 27 59.483 42.988 -51.723 1.00 1.06 H new ATOM 0 HG23 VAL A 27 58.341 41.625 -51.774 1.00 1.06 H new ATOM 454 N ALA A 28 54.661 44.172 -52.831 1.00 0.94 N ATOM 455 CA ALA A 28 53.525 44.871 -53.494 1.00 1.10 C ATOM 456 C ALA A 28 53.132 46.098 -52.667 1.00 1.12 C ATOM 457 O ALA A 28 52.863 47.159 -53.194 1.00 1.33 O ATOM 458 CB ALA A 28 52.389 43.850 -53.522 1.00 1.15 C ATOM 0 H ALA A 28 54.425 43.287 -52.383 1.00 0.94 H new ATOM 0 HA ALA A 28 53.771 45.220 -54.497 1.00 1.10 H new ATOM 0 HB1 ALA A 28 51.514 44.293 -53.997 1.00 1.15 H new ATOM 0 HB2 ALA A 28 52.703 42.972 -54.086 1.00 1.15 H new ATOM 0 HB3 ALA A 28 52.139 43.556 -52.503 1.00 1.15 H new ATOM 464 N THR A 29 53.111 45.954 -51.370 1.00 1.00 N ATOM 465 CA THR A 29 52.755 47.101 -50.484 1.00 1.09 C ATOM 466 C THR A 29 53.736 47.154 -49.307 1.00 0.90 C ATOM 467 O THR A 29 53.357 46.906 -48.180 1.00 0.93 O ATOM 468 CB THR A 29 51.337 46.806 -49.987 1.00 1.33 C ATOM 469 OG1 THR A 29 50.417 46.975 -51.056 1.00 1.93 O ATOM 470 CG2 THR A 29 50.981 47.767 -48.851 1.00 1.85 C ATOM 0 H THR A 29 53.327 45.085 -50.882 1.00 1.00 H new ATOM 0 HA THR A 29 52.804 48.060 -51.000 1.00 1.09 H new ATOM 0 HB THR A 29 51.287 45.780 -49.622 1.00 1.33 H new ATOM 0 HG1 THR A 29 49.509 46.785 -50.740 1.00 1.93 H new ATOM 0 HG21 THR A 29 49.971 47.556 -48.499 1.00 1.85 H new ATOM 0 HG22 THR A 29 51.686 47.637 -48.030 1.00 1.85 H new ATOM 0 HG23 THR A 29 51.031 48.794 -49.214 1.00 1.85 H new ATOM 478 N PRO A 30 54.977 47.463 -49.607 1.00 0.99 N ATOM 479 CA PRO A 30 56.041 47.538 -48.566 1.00 1.03 C ATOM 480 C PRO A 30 55.827 48.712 -47.598 1.00 0.85 C ATOM 481 O PRO A 30 56.766 49.372 -47.202 1.00 0.90 O ATOM 482 CB PRO A 30 57.301 47.775 -49.396 1.00 1.44 C ATOM 483 CG PRO A 30 56.910 47.845 -50.882 1.00 1.67 C ATOM 484 CD PRO A 30 55.388 47.743 -51.001 1.00 1.36 C ATOM 0 HA PRO A 30 56.070 46.647 -47.939 1.00 1.03 H new ATOM 0 HB2 PRO A 30 57.786 48.702 -49.089 1.00 1.44 H new ATOM 0 HB3 PRO A 30 58.018 46.970 -49.232 1.00 1.44 H new ATOM 0 HG2 PRO A 30 57.260 48.780 -51.320 1.00 1.67 H new ATOM 0 HG3 PRO A 30 57.386 47.036 -51.435 1.00 1.67 H new ATOM 0 HD2 PRO A 30 54.947 48.667 -51.377 1.00 1.36 H new ATOM 0 HD3 PRO A 30 55.086 46.946 -51.681 1.00 1.36 H new ATOM 492 N LYS A 31 54.615 48.975 -47.209 1.00 0.96 N ATOM 493 CA LYS A 31 54.367 50.097 -46.263 1.00 1.02 C ATOM 494 C LYS A 31 53.712 49.557 -44.987 1.00 0.94 C ATOM 495 O LYS A 31 53.569 50.258 -44.006 1.00 1.09 O ATOM 496 CB LYS A 31 53.418 51.038 -47.004 1.00 1.39 C ATOM 497 CG LYS A 31 54.136 51.633 -48.216 1.00 1.90 C ATOM 498 CD LYS A 31 53.622 53.050 -48.473 1.00 2.38 C ATOM 499 CE LYS A 31 53.812 53.397 -49.952 1.00 2.81 C ATOM 500 NZ LYS A 31 53.530 54.858 -50.049 1.00 3.08 N ATOM 0 H LYS A 31 53.784 48.463 -47.504 1.00 0.96 H new ATOM 0 HA LYS A 31 55.283 50.606 -45.964 1.00 1.02 H new ATOM 0 HB2 LYS A 31 52.528 50.496 -47.324 1.00 1.39 H new ATOM 0 HB3 LYS A 31 53.084 51.834 -46.338 1.00 1.39 H new ATOM 0 HG2 LYS A 31 55.212 51.652 -48.041 1.00 1.90 H new ATOM 0 HG3 LYS A 31 53.967 51.009 -49.094 1.00 1.90 H new ATOM 0 HD2 LYS A 31 52.568 53.121 -48.203 1.00 2.38 H new ATOM 0 HD3 LYS A 31 54.160 53.763 -47.848 1.00 2.38 H new ATOM 0 HE2 LYS A 31 54.825 53.168 -50.283 1.00 2.81 H new ATOM 0 HE3 LYS A 31 53.133 52.822 -50.582 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 53.641 55.168 -51.035 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 52.557 55.045 -49.734 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 54.196 55.381 -49.445 1.00 3.08 H new ATOM 514 N VAL A 32 53.321 48.311 -44.999 1.00 0.83 N ATOM 515 CA VAL A 32 52.681 47.710 -43.793 1.00 0.87 C ATOM 516 C VAL A 32 53.115 46.250 -43.645 1.00 0.69 C ATOM 517 O VAL A 32 52.435 45.354 -44.103 1.00 0.70 O ATOM 518 CB VAL A 32 51.176 47.793 -44.055 1.00 1.10 C ATOM 519 CG1 VAL A 32 50.412 47.476 -42.768 1.00 1.65 C ATOM 520 CG2 VAL A 32 50.822 49.203 -44.523 1.00 1.72 C ATOM 0 H VAL A 32 53.418 47.681 -45.795 1.00 0.83 H new ATOM 0 HA VAL A 32 52.963 48.226 -42.875 1.00 0.87 H new ATOM 0 HB VAL A 32 50.901 47.072 -44.825 1.00 1.10 H new ATOM 0 HG11 VAL A 32 49.340 47.536 -42.957 1.00 1.65 H new ATOM 0 HG12 VAL A 32 50.666 46.470 -42.433 1.00 1.65 H new ATOM 0 HG13 VAL A 32 50.685 48.196 -41.996 1.00 1.65 H new ATOM 0 HG21 VAL A 32 49.750 49.266 -44.711 1.00 1.72 H new ATOM 0 HG22 VAL A 32 51.098 49.922 -43.752 1.00 1.72 H new ATOM 0 HG23 VAL A 32 51.365 49.429 -45.441 1.00 1.72 H new ATOM 530 N PRO A 33 54.244 46.050 -43.010 1.00 0.67 N ATOM 531 CA PRO A 33 54.769 44.682 -42.802 1.00 0.65 C ATOM 532 C PRO A 33 53.777 43.840 -42.007 1.00 0.67 C ATOM 533 O PRO A 33 52.980 44.341 -41.241 1.00 0.79 O ATOM 534 CB PRO A 33 56.077 44.931 -42.042 1.00 0.82 C ATOM 535 CG PRO A 33 56.246 46.449 -41.832 1.00 0.91 C ATOM 536 CD PRO A 33 55.051 47.172 -42.472 1.00 0.84 C ATOM 0 HA PRO A 33 54.929 44.121 -43.723 1.00 0.65 H new ATOM 0 HB2 PRO A 33 56.060 44.416 -41.081 1.00 0.82 H new ATOM 0 HB3 PRO A 33 56.922 44.531 -42.603 1.00 0.82 H new ATOM 0 HG2 PRO A 33 56.301 46.679 -40.768 1.00 0.91 H new ATOM 0 HG3 PRO A 33 57.179 46.791 -42.281 1.00 0.91 H new ATOM 0 HD2 PRO A 33 54.494 47.758 -41.742 1.00 0.84 H new ATOM 0 HD3 PRO A 33 55.366 47.858 -43.258 1.00 0.84 H new ATOM 544 N VAL A 34 53.814 42.556 -42.216 1.00 0.64 N ATOM 545 CA VAL A 34 52.880 41.649 -41.518 1.00 0.72 C ATOM 546 C VAL A 34 53.493 41.190 -40.200 1.00 0.63 C ATOM 547 O VAL A 34 52.819 40.649 -39.347 1.00 0.79 O ATOM 548 CB VAL A 34 52.708 40.480 -42.478 1.00 0.84 C ATOM 549 CG1 VAL A 34 52.076 40.982 -43.777 1.00 1.32 C ATOM 550 CG2 VAL A 34 54.079 39.886 -42.781 1.00 1.19 C ATOM 0 H VAL A 34 54.464 42.094 -42.852 1.00 0.64 H new ATOM 0 HA VAL A 34 51.928 42.119 -41.272 1.00 0.72 H new ATOM 0 HB VAL A 34 52.065 39.722 -42.030 1.00 0.84 H new ATOM 0 HG11 VAL A 34 51.951 40.148 -44.467 1.00 1.32 H new ATOM 0 HG12 VAL A 34 51.103 41.423 -43.561 1.00 1.32 H new ATOM 0 HG13 VAL A 34 52.723 41.734 -44.230 1.00 1.32 H new ATOM 0 HG21 VAL A 34 53.968 39.047 -43.468 1.00 1.19 H new ATOM 0 HG22 VAL A 34 54.713 40.647 -43.236 1.00 1.19 H new ATOM 0 HG23 VAL A 34 54.538 39.538 -41.855 1.00 1.19 H new ATOM 560 N LYS A 35 54.767 41.411 -40.022 1.00 0.46 N ATOM 561 CA LYS A 35 55.411 40.996 -38.742 1.00 0.45 C ATOM 562 C LYS A 35 56.307 42.110 -38.196 1.00 0.39 C ATOM 563 O LYS A 35 57.041 42.748 -38.926 1.00 0.51 O ATOM 564 CB LYS A 35 56.248 39.771 -39.086 1.00 0.59 C ATOM 565 CG LYS A 35 55.470 38.500 -38.736 1.00 0.90 C ATOM 566 CD LYS A 35 55.417 38.340 -37.215 1.00 1.38 C ATOM 567 CE LYS A 35 55.217 36.863 -36.858 1.00 1.90 C ATOM 568 NZ LYS A 35 56.221 36.564 -35.793 1.00 2.50 N ATOM 0 H LYS A 35 55.385 41.857 -40.700 1.00 0.46 H new ATOM 0 HA LYS A 35 54.668 40.783 -37.974 1.00 0.45 H new ATOM 0 HB2 LYS A 35 56.498 39.776 -40.147 1.00 0.59 H new ATOM 0 HB3 LYS A 35 57.189 39.796 -38.537 1.00 0.59 H new ATOM 0 HG2 LYS A 35 54.460 38.555 -39.142 1.00 0.90 H new ATOM 0 HG3 LYS A 35 55.949 37.631 -39.188 1.00 0.90 H new ATOM 0 HD2 LYS A 35 56.340 38.710 -36.768 1.00 1.38 H new ATOM 0 HD3 LYS A 35 54.602 38.937 -36.805 1.00 1.38 H new ATOM 0 HE2 LYS A 35 54.203 36.680 -36.502 1.00 1.90 H new ATOM 0 HE3 LYS A 35 55.369 36.226 -37.729 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 56.136 35.568 -35.505 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 57.178 36.738 -36.160 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 56.049 37.178 -34.971 1.00 2.50 H new ATOM 582 N ARG A 36 56.264 42.322 -36.910 1.00 0.34 N ATOM 583 CA ARG A 36 57.127 43.370 -36.284 1.00 0.33 C ATOM 584 C ARG A 36 57.803 42.792 -35.040 1.00 0.36 C ATOM 585 O ARG A 36 57.154 42.533 -34.046 1.00 0.42 O ATOM 586 CB ARG A 36 56.207 44.518 -35.882 1.00 0.37 C ATOM 587 CG ARG A 36 56.563 45.753 -36.708 1.00 0.54 C ATOM 588 CD ARG A 36 55.699 45.808 -37.971 1.00 0.83 C ATOM 589 NE ARG A 36 55.365 47.250 -38.138 1.00 0.89 N ATOM 590 CZ ARG A 36 56.125 48.011 -38.876 1.00 1.07 C ATOM 591 NH1 ARG A 36 57.418 47.990 -38.712 1.00 1.27 N ATOM 592 NH2 ARG A 36 55.595 48.787 -39.783 1.00 1.76 N ATOM 0 H ARG A 36 55.665 41.813 -36.260 1.00 0.34 H new ATOM 0 HA ARG A 36 57.900 43.711 -36.973 1.00 0.33 H new ATOM 0 HB2 ARG A 36 55.166 44.242 -36.048 1.00 0.37 H new ATOM 0 HB3 ARG A 36 56.315 44.732 -34.819 1.00 0.37 H new ATOM 0 HG2 ARG A 36 56.410 46.654 -36.114 1.00 0.54 H new ATOM 0 HG3 ARG A 36 57.618 45.726 -36.981 1.00 0.54 H new ATOM 0 HD2 ARG A 36 56.238 45.424 -38.837 1.00 0.83 H new ATOM 0 HD3 ARG A 36 54.799 45.203 -37.862 1.00 0.83 H new ATOM 0 HE ARG A 36 54.544 47.641 -37.676 1.00 0.89 H new ATOM 0 HH11 ARG A 36 57.833 47.380 -38.008 1.00 1.27 H new ATOM 0 HH12 ARG A 36 58.015 48.584 -39.288 1.00 1.27 H new ATOM 0 HH21 ARG A 36 54.584 48.799 -39.916 1.00 1.76 H new ATOM 0 HH22 ARG A 36 56.192 49.381 -40.358 1.00 1.76 H new ATOM 606 N GLY A 37 59.086 42.563 -35.075 1.00 0.34 N ATOM 607 CA GLY A 37 59.737 41.978 -33.861 1.00 0.39 C ATOM 608 C GLY A 37 61.196 42.422 -33.720 1.00 0.38 C ATOM 609 O GLY A 37 61.595 43.474 -34.182 1.00 0.44 O ATOM 0 H GLY A 37 59.702 42.748 -35.867 1.00 0.34 H new ATOM 0 HA2 GLY A 37 59.180 42.276 -32.972 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.693 40.890 -33.915 1.00 0.39 H new ATOM 613 N CYS A 38 61.991 41.608 -33.065 1.00 0.40 N ATOM 614 CA CYS A 38 63.433 41.942 -32.859 1.00 0.41 C ATOM 615 C CYS A 38 64.335 40.879 -33.498 1.00 0.39 C ATOM 616 O CYS A 38 64.067 39.697 -33.408 1.00 0.42 O ATOM 617 CB CYS A 38 63.628 41.929 -31.344 1.00 0.52 C ATOM 618 SG CYS A 38 62.638 43.235 -30.580 1.00 1.14 S ATOM 0 H CYS A 38 61.697 40.719 -32.661 1.00 0.40 H new ATOM 0 HA CYS A 38 63.691 42.900 -33.312 1.00 0.41 H new ATOM 0 HB2 CYS A 38 63.338 40.959 -30.940 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.681 42.073 -31.104 1.00 0.52 H new ATOM 623 N ILE A 39 65.402 41.281 -34.147 1.00 0.38 N ATOM 624 CA ILE A 39 66.298 40.274 -34.782 1.00 0.39 C ATOM 625 C ILE A 39 67.770 40.482 -34.370 1.00 0.43 C ATOM 626 O ILE A 39 68.147 41.499 -33.805 1.00 0.48 O ATOM 627 CB ILE A 39 66.122 40.521 -36.298 1.00 0.38 C ATOM 628 CG1 ILE A 39 65.028 39.602 -36.842 1.00 0.39 C ATOM 629 CG2 ILE A 39 67.431 40.248 -37.056 1.00 0.43 C ATOM 630 CD1 ILE A 39 65.071 39.566 -38.372 1.00 0.42 C ATOM 0 H ILE A 39 65.686 42.254 -34.262 1.00 0.38 H new ATOM 0 HA ILE A 39 66.047 39.257 -34.481 1.00 0.39 H new ATOM 0 HB ILE A 39 65.844 41.565 -36.444 1.00 0.38 H new ATOM 0 HG12 ILE A 39 65.159 38.596 -36.445 1.00 0.39 H new ATOM 0 HG13 ILE A 39 64.051 39.952 -36.508 1.00 0.39 H new ATOM 0 HG21 ILE A 39 67.280 40.429 -38.120 1.00 0.43 H new ATOM 0 HG22 ILE A 39 68.212 40.910 -36.683 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.730 39.211 -36.903 1.00 0.43 H new ATOM 0 HD11 ILE A 39 64.286 38.907 -38.743 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.916 40.571 -38.764 1.00 0.42 H new ATOM 0 HD13 ILE A 39 66.042 39.194 -38.700 1.00 0.42 H new ATOM 642 N ASP A 40 68.586 39.512 -34.716 1.00 0.48 N ATOM 643 CA ASP A 40 70.062 39.567 -34.475 1.00 0.56 C ATOM 644 C ASP A 40 70.725 39.794 -35.836 1.00 0.58 C ATOM 645 O ASP A 40 71.609 40.613 -35.997 1.00 0.67 O ATOM 646 CB ASP A 40 70.488 38.180 -33.956 1.00 0.67 C ATOM 647 CG ASP A 40 69.816 37.080 -34.783 1.00 1.31 C ATOM 648 OD1 ASP A 40 68.603 37.106 -34.899 1.00 2.02 O ATOM 649 OD2 ASP A 40 70.530 36.228 -35.290 1.00 1.94 O ATOM 0 H ASP A 40 68.275 38.654 -35.172 1.00 0.48 H new ATOM 0 HA ASP A 40 70.337 40.349 -33.767 1.00 0.56 H new ATOM 0 HB2 ASP A 40 71.572 38.079 -34.014 1.00 0.67 H new ATOM 0 HB3 ASP A 40 70.214 38.076 -32.906 1.00 0.67 H new ATOM 654 N VAL A 41 70.269 39.055 -36.819 1.00 0.56 N ATOM 655 CA VAL A 41 70.814 39.176 -38.200 1.00 0.63 C ATOM 656 C VAL A 41 69.656 39.411 -39.171 1.00 0.58 C ATOM 657 O VAL A 41 68.737 38.620 -39.259 1.00 0.68 O ATOM 658 CB VAL A 41 71.480 37.830 -38.484 1.00 0.76 C ATOM 659 CG1 VAL A 41 72.092 37.836 -39.885 1.00 1.54 C ATOM 660 CG2 VAL A 41 72.581 37.583 -37.454 1.00 1.57 C ATOM 0 H VAL A 41 69.528 38.361 -36.716 1.00 0.56 H new ATOM 0 HA VAL A 41 71.517 40.002 -38.309 1.00 0.63 H new ATOM 0 HB VAL A 41 70.731 37.040 -38.422 1.00 0.76 H new ATOM 0 HG11 VAL A 41 72.565 36.873 -40.080 1.00 1.54 H new ATOM 0 HG12 VAL A 41 71.309 38.012 -40.623 1.00 1.54 H new ATOM 0 HG13 VAL A 41 72.839 38.627 -39.952 1.00 1.54 H new ATOM 0 HG21 VAL A 41 73.058 36.623 -37.654 1.00 1.57 H new ATOM 0 HG22 VAL A 41 73.324 38.378 -37.518 1.00 1.57 H new ATOM 0 HG23 VAL A 41 72.148 37.571 -36.454 1.00 1.57 H new ATOM 670 N CYS A 42 69.681 40.495 -39.884 1.00 0.72 N ATOM 671 CA CYS A 42 68.567 40.786 -40.830 1.00 0.76 C ATOM 672 C CYS A 42 68.540 39.787 -41.990 1.00 0.76 C ATOM 673 O CYS A 42 69.444 39.765 -42.802 1.00 0.90 O ATOM 674 CB CYS A 42 68.861 42.180 -41.374 1.00 1.00 C ATOM 675 SG CYS A 42 67.439 42.737 -42.338 1.00 1.13 S ATOM 0 H CYS A 42 70.423 41.195 -39.856 1.00 0.72 H new ATOM 0 HA CYS A 42 67.602 40.717 -40.328 1.00 0.76 H new ATOM 0 HB2 CYS A 42 69.057 42.872 -40.555 1.00 1.00 H new ATOM 0 HB3 CYS A 42 69.756 42.162 -41.996 1.00 1.00 H new ATOM 680 N PRO A 43 67.483 39.014 -42.057 1.00 0.70 N ATOM 681 CA PRO A 43 67.326 38.042 -43.158 1.00 0.80 C ATOM 682 C PRO A 43 67.237 38.777 -44.497 1.00 0.89 C ATOM 683 O PRO A 43 67.220 39.991 -44.547 1.00 0.97 O ATOM 684 CB PRO A 43 65.994 37.371 -42.826 1.00 0.80 C ATOM 685 CG PRO A 43 65.439 37.974 -41.525 1.00 0.72 C ATOM 686 CD PRO A 43 66.401 39.065 -41.043 1.00 0.65 C ATOM 0 HA PRO A 43 68.154 37.339 -43.246 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.285 37.518 -43.641 1.00 0.80 H new ATOM 0 HB3 PRO A 43 66.132 36.296 -42.713 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.447 38.392 -41.695 1.00 0.72 H new ATOM 0 HG3 PRO A 43 65.333 37.200 -40.765 1.00 0.72 H new ATOM 0 HD2 PRO A 43 65.921 40.043 -41.011 1.00 0.65 H new ATOM 0 HD3 PRO A 43 66.776 38.861 -40.040 1.00 0.65 H new ATOM 694 N LYS A 44 67.165 38.059 -45.579 1.00 1.04 N ATOM 695 CA LYS A 44 67.061 38.730 -46.904 1.00 1.19 C ATOM 696 C LYS A 44 65.648 38.548 -47.463 1.00 1.07 C ATOM 697 O LYS A 44 64.803 37.931 -46.841 1.00 1.52 O ATOM 698 CB LYS A 44 68.095 38.030 -47.785 1.00 1.53 C ATOM 699 CG LYS A 44 67.919 36.517 -47.670 1.00 2.08 C ATOM 700 CD LYS A 44 68.379 35.850 -48.967 1.00 2.77 C ATOM 701 CE LYS A 44 69.497 34.856 -48.659 1.00 3.61 C ATOM 702 NZ LYS A 44 69.035 33.573 -49.254 1.00 4.19 N ATOM 0 H LYS A 44 67.173 37.039 -45.605 1.00 1.04 H new ATOM 0 HA LYS A 44 67.246 39.803 -46.850 1.00 1.19 H new ATOM 0 HB2 LYS A 44 67.977 38.343 -48.822 1.00 1.53 H new ATOM 0 HB3 LYS A 44 69.102 38.314 -47.479 1.00 1.53 H new ATOM 0 HG2 LYS A 44 68.497 36.136 -46.828 1.00 2.08 H new ATOM 0 HG3 LYS A 44 66.874 36.275 -47.475 1.00 2.08 H new ATOM 0 HD2 LYS A 44 67.542 35.337 -49.441 1.00 2.77 H new ATOM 0 HD3 LYS A 44 68.732 36.604 -49.671 1.00 2.77 H new ATOM 0 HE2 LYS A 44 70.443 35.177 -49.095 1.00 3.61 H new ATOM 0 HE3 LYS A 44 69.657 34.760 -47.585 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 69.749 32.835 -49.086 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 68.135 33.291 -48.815 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 68.898 33.695 -50.278 1.00 4.19 H new ATOM 716 N SER A 45 65.375 39.074 -48.623 1.00 1.01 N ATOM 717 CA SER A 45 64.009 38.916 -49.198 1.00 0.93 C ATOM 718 C SER A 45 63.740 37.440 -49.482 1.00 0.94 C ATOM 719 O SER A 45 64.636 36.692 -49.818 1.00 1.20 O ATOM 720 CB SER A 45 64.023 39.718 -50.497 1.00 1.04 C ATOM 721 OG SER A 45 62.770 40.373 -50.670 1.00 1.64 O ATOM 0 H SER A 45 66.033 39.603 -49.196 1.00 1.01 H new ATOM 0 HA SER A 45 63.229 39.265 -48.521 1.00 0.93 H new ATOM 0 HB2 SER A 45 64.828 40.452 -50.474 1.00 1.04 H new ATOM 0 HB3 SER A 45 64.219 39.057 -51.342 1.00 1.04 H new ATOM 0 HG SER A 45 62.082 39.906 -50.151 1.00 1.64 H new ATOM 727 N SER A 46 62.517 37.013 -49.350 1.00 0.84 N ATOM 728 CA SER A 46 62.196 35.588 -49.611 1.00 1.02 C ATOM 729 C SER A 46 61.642 35.432 -51.033 1.00 1.10 C ATOM 730 O SER A 46 62.095 36.081 -51.956 1.00 1.66 O ATOM 731 CB SER A 46 61.137 35.253 -48.570 1.00 1.08 C ATOM 732 OG SER A 46 61.420 33.984 -47.995 1.00 1.49 O ATOM 0 H SER A 46 61.725 37.592 -49.072 1.00 0.84 H new ATOM 0 HA SER A 46 63.062 34.930 -49.542 1.00 1.02 H new ATOM 0 HB2 SER A 46 61.119 36.019 -47.795 1.00 1.08 H new ATOM 0 HB3 SER A 46 60.149 35.243 -49.031 1.00 1.08 H new ATOM 0 HG SER A 46 60.739 33.770 -47.324 1.00 1.49 H new ATOM 738 N LEU A 47 60.667 34.582 -51.220 1.00 1.13 N ATOM 739 CA LEU A 47 60.101 34.408 -52.600 1.00 1.25 C ATOM 740 C LEU A 47 59.480 35.726 -53.076 1.00 0.98 C ATOM 741 O LEU A 47 59.823 36.237 -54.123 1.00 1.23 O ATOM 742 CB LEU A 47 59.027 33.289 -52.571 1.00 1.60 C ATOM 743 CG LEU A 47 58.554 32.957 -51.150 1.00 2.09 C ATOM 744 CD1 LEU A 47 57.164 32.316 -51.217 1.00 2.75 C ATOM 745 CD2 LEU A 47 59.531 31.967 -50.509 1.00 2.50 C ATOM 0 H LEU A 47 60.240 34.007 -50.493 1.00 1.13 H new ATOM 0 HA LEU A 47 60.896 34.127 -53.291 1.00 1.25 H new ATOM 0 HB2 LEU A 47 58.171 33.597 -53.171 1.00 1.60 H new ATOM 0 HB3 LEU A 47 59.433 32.389 -53.033 1.00 1.60 H new ATOM 0 HG LEU A 47 58.512 33.870 -50.556 1.00 2.09 H new ATOM 0 HD11 LEU A 47 56.824 32.078 -50.209 1.00 2.75 H new ATOM 0 HD12 LEU A 47 56.465 33.011 -51.681 1.00 2.75 H new ATOM 0 HD13 LEU A 47 57.213 31.402 -51.808 1.00 2.75 H new ATOM 0 HD21 LEU A 47 59.198 31.729 -49.499 1.00 2.50 H new ATOM 0 HD22 LEU A 47 59.567 31.054 -51.104 1.00 2.50 H new ATOM 0 HD23 LEU A 47 60.525 32.412 -50.467 1.00 2.50 H new ATOM 757 N LEU A 48 58.579 36.283 -52.315 1.00 0.79 N ATOM 758 CA LEU A 48 57.948 37.572 -52.727 1.00 0.85 C ATOM 759 C LEU A 48 57.674 38.433 -51.490 1.00 0.71 C ATOM 760 O LEU A 48 56.815 39.291 -51.488 1.00 0.92 O ATOM 761 CB LEU A 48 56.643 37.176 -53.416 1.00 1.16 C ATOM 762 CG LEU A 48 56.351 38.155 -54.554 1.00 1.67 C ATOM 763 CD1 LEU A 48 57.191 37.782 -55.778 1.00 2.36 C ATOM 764 CD2 LEU A 48 54.866 38.088 -54.913 1.00 2.47 C ATOM 0 H LEU A 48 58.252 35.903 -51.427 1.00 0.79 H new ATOM 0 HA LEU A 48 58.586 38.158 -53.388 1.00 0.85 H new ATOM 0 HB2 LEU A 48 56.718 36.161 -53.805 1.00 1.16 H new ATOM 0 HB3 LEU A 48 55.823 37.182 -52.697 1.00 1.16 H new ATOM 0 HG LEU A 48 56.603 39.167 -54.237 1.00 1.67 H new ATOM 0 HD11 LEU A 48 56.983 38.480 -56.589 1.00 2.36 H new ATOM 0 HD12 LEU A 48 58.249 37.830 -55.521 1.00 2.36 H new ATOM 0 HD13 LEU A 48 56.940 36.770 -56.097 1.00 2.36 H new ATOM 0 HD21 LEU A 48 54.656 38.785 -55.724 1.00 2.47 H new ATOM 0 HD22 LEU A 48 54.614 37.076 -55.230 1.00 2.47 H new ATOM 0 HD23 LEU A 48 54.269 38.355 -54.041 1.00 2.47 H new ATOM 776 N VAL A 49 58.410 38.199 -50.440 1.00 0.54 N ATOM 777 CA VAL A 49 58.222 38.982 -49.187 1.00 0.49 C ATOM 778 C VAL A 49 59.539 39.697 -48.838 1.00 0.42 C ATOM 779 O VAL A 49 60.602 39.284 -49.259 1.00 0.58 O ATOM 780 CB VAL A 49 57.845 37.926 -48.144 1.00 0.65 C ATOM 781 CG1 VAL A 49 59.025 36.987 -47.910 1.00 0.99 C ATOM 782 CG2 VAL A 49 57.453 38.595 -46.826 1.00 1.13 C ATOM 0 H VAL A 49 59.142 37.490 -50.396 1.00 0.54 H new ATOM 0 HA VAL A 49 57.460 39.759 -49.256 1.00 0.49 H new ATOM 0 HB VAL A 49 56.994 37.355 -48.517 1.00 0.65 H new ATOM 0 HG11 VAL A 49 58.752 36.238 -47.167 1.00 0.99 H new ATOM 0 HG12 VAL A 49 59.287 36.492 -48.845 1.00 0.99 H new ATOM 0 HG13 VAL A 49 59.880 37.560 -47.550 1.00 0.99 H new ATOM 0 HG21 VAL A 49 57.188 37.831 -46.095 1.00 1.13 H new ATOM 0 HG22 VAL A 49 58.293 39.180 -46.451 1.00 1.13 H new ATOM 0 HG23 VAL A 49 56.599 39.251 -46.991 1.00 1.13 H new ATOM 792 N LYS A 50 59.480 40.778 -48.103 1.00 0.40 N ATOM 793 CA LYS A 50 60.739 41.520 -47.772 1.00 0.42 C ATOM 794 C LYS A 50 60.640 42.199 -46.405 1.00 0.44 C ATOM 795 O LYS A 50 59.609 42.733 -46.044 1.00 0.55 O ATOM 796 CB LYS A 50 60.847 42.585 -48.859 1.00 0.57 C ATOM 797 CG LYS A 50 62.239 43.212 -48.821 1.00 1.02 C ATOM 798 CD LYS A 50 62.891 43.090 -50.199 1.00 1.41 C ATOM 799 CE LYS A 50 63.543 44.423 -50.578 1.00 1.74 C ATOM 800 NZ LYS A 50 64.912 44.356 -49.995 1.00 2.40 N ATOM 0 H LYS A 50 58.624 41.178 -47.720 1.00 0.40 H new ATOM 0 HA LYS A 50 61.600 40.853 -47.731 1.00 0.42 H new ATOM 0 HB2 LYS A 50 60.663 42.141 -49.837 1.00 0.57 H new ATOM 0 HB3 LYS A 50 60.087 43.352 -48.709 1.00 0.57 H new ATOM 0 HG2 LYS A 50 62.169 44.261 -48.531 1.00 1.02 H new ATOM 0 HG3 LYS A 50 62.853 42.714 -48.071 1.00 1.02 H new ATOM 0 HD2 LYS A 50 63.639 42.297 -50.190 1.00 1.41 H new ATOM 0 HD3 LYS A 50 62.144 42.814 -50.943 1.00 1.41 H new ATOM 0 HE2 LYS A 50 63.580 44.552 -51.660 1.00 1.74 H new ATOM 0 HE3 LYS A 50 62.982 45.266 -50.175 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 65.425 45.235 -50.211 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 64.845 44.239 -48.964 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 65.424 43.547 -50.402 1.00 2.40 H new ATOM 814 N TYR A 51 61.704 42.202 -45.637 1.00 0.44 N ATOM 815 CA TYR A 51 61.636 42.873 -44.303 1.00 0.52 C ATOM 816 C TYR A 51 62.775 43.886 -44.134 1.00 0.45 C ATOM 817 O TYR A 51 63.804 43.800 -44.773 1.00 0.59 O ATOM 818 CB TYR A 51 61.765 41.794 -43.208 1.00 0.73 C ATOM 819 CG TYR A 51 61.763 40.382 -43.761 1.00 0.50 C ATOM 820 CD1 TYR A 51 60.751 39.961 -44.627 1.00 0.69 C ATOM 821 CD2 TYR A 51 62.760 39.483 -43.369 1.00 0.82 C ATOM 822 CE1 TYR A 51 60.740 38.651 -45.107 1.00 0.76 C ATOM 823 CE2 TYR A 51 62.746 38.169 -43.848 1.00 1.19 C ATOM 824 CZ TYR A 51 61.737 37.753 -44.721 1.00 1.05 C ATOM 825 OH TYR A 51 61.723 36.456 -45.195 1.00 1.47 O ATOM 0 H TYR A 51 62.601 41.777 -45.872 1.00 0.44 H new ATOM 0 HA TYR A 51 60.687 43.404 -44.224 1.00 0.52 H new ATOM 0 HB2 TYR A 51 62.688 41.958 -42.651 1.00 0.73 H new ATOM 0 HB3 TYR A 51 60.942 41.902 -42.501 1.00 0.73 H new ATOM 0 HD1 TYR A 51 59.976 40.651 -44.926 1.00 0.69 H new ATOM 0 HD2 TYR A 51 63.541 39.804 -42.696 1.00 0.82 H new ATOM 0 HE1 TYR A 51 59.958 38.331 -45.779 1.00 0.76 H new ATOM 0 HE2 TYR A 51 63.516 37.475 -43.543 1.00 1.19 H new ATOM 0 HH TYR A 51 62.488 35.966 -44.829 1.00 1.47 H new ATOM 835 N VAL A 52 62.600 44.828 -43.243 1.00 0.44 N ATOM 836 CA VAL A 52 63.672 45.836 -42.982 1.00 0.49 C ATOM 837 C VAL A 52 64.177 45.660 -41.558 1.00 0.43 C ATOM 838 O VAL A 52 63.414 45.376 -40.655 1.00 0.56 O ATOM 839 CB VAL A 52 63.033 47.223 -43.107 1.00 0.69 C ATOM 840 CG1 VAL A 52 64.110 48.238 -43.490 1.00 1.02 C ATOM 841 CG2 VAL A 52 61.945 47.221 -44.170 1.00 0.82 C ATOM 0 H VAL A 52 61.756 44.943 -42.682 1.00 0.44 H new ATOM 0 HA VAL A 52 64.499 45.718 -43.683 1.00 0.49 H new ATOM 0 HB VAL A 52 62.585 47.490 -42.150 1.00 0.69 H new ATOM 0 HG11 VAL A 52 63.662 49.227 -43.581 1.00 1.02 H new ATOM 0 HG12 VAL A 52 64.881 48.258 -42.720 1.00 1.02 H new ATOM 0 HG13 VAL A 52 64.556 47.953 -44.443 1.00 1.02 H new ATOM 0 HG21 VAL A 52 61.505 48.216 -44.242 1.00 0.82 H new ATOM 0 HG22 VAL A 52 62.377 46.945 -45.132 1.00 0.82 H new ATOM 0 HG23 VAL A 52 61.173 46.501 -43.899 1.00 0.82 H new ATOM 851 N CYS A 53 65.441 45.838 -41.332 1.00 0.44 N ATOM 852 CA CYS A 53 65.944 45.687 -39.947 1.00 0.47 C ATOM 853 C CYS A 53 66.725 46.929 -39.536 1.00 0.46 C ATOM 854 O CYS A 53 67.551 47.435 -40.270 1.00 0.68 O ATOM 855 CB CYS A 53 66.837 44.448 -39.951 1.00 0.73 C ATOM 856 SG CYS A 53 66.057 43.140 -40.929 1.00 1.39 S ATOM 0 H CYS A 53 66.140 46.078 -42.035 1.00 0.44 H new ATOM 0 HA CYS A 53 65.131 45.573 -39.230 1.00 0.47 H new ATOM 0 HB2 CYS A 53 67.814 44.693 -40.367 1.00 0.73 H new ATOM 0 HB3 CYS A 53 67.002 44.103 -38.930 1.00 0.73 H new ATOM 861 N CYS A 54 66.466 47.416 -38.361 1.00 0.39 N ATOM 862 CA CYS A 54 67.187 48.630 -37.878 1.00 0.51 C ATOM 863 C CYS A 54 67.989 48.250 -36.641 1.00 0.48 C ATOM 864 O CYS A 54 67.461 47.636 -35.754 1.00 0.46 O ATOM 865 CB CYS A 54 66.087 49.626 -37.514 1.00 0.68 C ATOM 866 SG CYS A 54 64.940 48.852 -36.351 1.00 1.08 S ATOM 0 H CYS A 54 65.785 47.028 -37.708 1.00 0.39 H new ATOM 0 HA CYS A 54 67.873 49.047 -38.615 1.00 0.51 H new ATOM 0 HB2 CYS A 54 66.523 50.521 -37.071 1.00 0.68 H new ATOM 0 HB3 CYS A 54 65.555 49.942 -38.411 1.00 0.68 H new ATOM 871 N ASN A 55 69.240 48.618 -36.561 1.00 0.52 N ATOM 872 CA ASN A 55 70.041 48.241 -35.347 1.00 0.55 C ATOM 873 C ASN A 55 69.897 49.344 -34.314 1.00 0.54 C ATOM 874 O ASN A 55 70.830 50.046 -33.985 1.00 0.61 O ATOM 875 CB ASN A 55 71.508 48.117 -35.805 1.00 0.67 C ATOM 876 CG ASN A 55 71.832 49.164 -36.872 1.00 1.48 C ATOM 877 OD1 ASN A 55 71.450 49.017 -38.017 1.00 2.23 O ATOM 878 ND2 ASN A 55 72.524 50.221 -36.550 1.00 2.32 N ATOM 0 H ASN A 55 69.741 49.155 -37.269 1.00 0.52 H new ATOM 0 HA ASN A 55 69.703 47.304 -34.904 1.00 0.55 H new ATOM 0 HB2 ASN A 55 72.173 48.244 -34.951 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.687 47.118 -36.203 1.00 0.67 H new ATOM 0 HD21 ASN A 55 72.744 50.922 -37.258 1.00 2.32 H new ATOM 0 HD22 ASN A 55 72.846 50.347 -35.590 1.00 2.32 H new ATOM 885 N THR A 56 68.703 49.496 -33.823 1.00 0.49 N ATOM 886 CA THR A 56 68.430 50.559 -32.819 1.00 0.50 C ATOM 887 C THR A 56 67.299 50.138 -31.878 1.00 0.48 C ATOM 888 O THR A 56 66.863 49.003 -31.873 1.00 0.57 O ATOM 889 CB THR A 56 68.024 51.774 -33.651 1.00 0.54 C ATOM 890 OG1 THR A 56 68.503 51.620 -34.979 1.00 1.15 O ATOM 891 CG2 THR A 56 68.630 53.037 -33.043 1.00 1.16 C ATOM 0 H THR A 56 67.896 48.925 -34.076 1.00 0.49 H new ATOM 0 HA THR A 56 69.292 50.763 -32.184 1.00 0.50 H new ATOM 0 HB THR A 56 66.937 51.857 -33.659 1.00 0.54 H new ATOM 0 HG1 THR A 56 68.241 52.399 -35.513 1.00 1.15 H new ATOM 0 HG21 THR A 56 68.339 53.903 -33.638 1.00 1.16 H new ATOM 0 HG22 THR A 56 68.267 53.160 -32.022 1.00 1.16 H new ATOM 0 HG23 THR A 56 69.717 52.951 -33.034 1.00 1.16 H new ATOM 899 N ASP A 57 66.801 51.065 -31.107 1.00 0.58 N ATOM 900 CA ASP A 57 65.670 50.757 -30.189 1.00 0.60 C ATOM 901 C ASP A 57 64.415 51.449 -30.722 1.00 0.59 C ATOM 902 O ASP A 57 64.466 52.582 -31.161 1.00 0.72 O ATOM 903 CB ASP A 57 66.078 51.333 -28.835 1.00 0.71 C ATOM 904 CG ASP A 57 64.953 51.105 -27.823 1.00 0.95 C ATOM 905 OD1 ASP A 57 64.004 50.420 -28.167 1.00 1.70 O ATOM 906 OD2 ASP A 57 65.057 51.621 -26.722 1.00 1.47 O ATOM 0 H ASP A 57 67.132 52.029 -31.074 1.00 0.58 H new ATOM 0 HA ASP A 57 65.458 49.691 -30.108 1.00 0.60 H new ATOM 0 HB2 ASP A 57 66.996 50.858 -28.488 1.00 0.71 H new ATOM 0 HB3 ASP A 57 66.286 52.399 -28.929 1.00 0.71 H new ATOM 911 N ARG A 58 63.298 50.781 -30.718 1.00 0.56 N ATOM 912 CA ARG A 58 62.060 51.416 -31.260 1.00 0.61 C ATOM 913 C ARG A 58 62.350 51.986 -32.652 1.00 0.60 C ATOM 914 O ARG A 58 62.037 53.123 -32.946 1.00 0.87 O ATOM 915 CB ARG A 58 61.713 52.548 -30.289 1.00 0.73 C ATOM 916 CG ARG A 58 61.357 51.975 -28.914 1.00 0.93 C ATOM 917 CD ARG A 58 60.074 51.144 -29.012 1.00 1.16 C ATOM 918 NE ARG A 58 58.965 52.137 -28.940 1.00 1.10 N ATOM 919 CZ ARG A 58 58.759 52.805 -27.838 1.00 1.34 C ATOM 920 NH1 ARG A 58 59.069 52.275 -26.687 1.00 1.52 N ATOM 921 NH2 ARG A 58 58.239 54.001 -27.886 1.00 1.91 N ATOM 0 H ARG A 58 63.185 49.830 -30.367 1.00 0.56 H new ATOM 0 HA ARG A 58 61.239 50.705 -31.352 1.00 0.61 H new ATOM 0 HB2 ARG A 58 62.558 53.231 -30.199 1.00 0.73 H new ATOM 0 HB3 ARG A 58 60.875 53.127 -30.678 1.00 0.73 H new ATOM 0 HG2 ARG A 58 62.175 51.355 -28.546 1.00 0.93 H new ATOM 0 HG3 ARG A 58 61.222 52.785 -28.197 1.00 0.93 H new ATOM 0 HD2 ARG A 58 60.039 50.580 -29.944 1.00 1.16 H new ATOM 0 HD3 ARG A 58 60.009 50.420 -28.199 1.00 1.16 H new ATOM 0 HE ARG A 58 58.367 52.294 -29.751 1.00 1.10 H new ATOM 0 HH11 ARG A 58 59.472 51.339 -26.649 1.00 1.52 H new ATOM 0 HH12 ARG A 58 58.908 52.797 -25.825 1.00 1.52 H new ATOM 0 HH21 ARG A 58 57.993 54.415 -28.785 1.00 1.91 H new ATOM 0 HH22 ARG A 58 58.078 54.522 -27.024 1.00 1.91 H new ATOM 935 N CYS A 59 62.959 51.207 -33.504 1.00 0.44 N ATOM 936 CA CYS A 59 63.284 51.706 -34.871 1.00 0.47 C ATOM 937 C CYS A 59 62.553 50.876 -35.935 1.00 0.60 C ATOM 938 O CYS A 59 63.040 50.689 -37.032 1.00 1.14 O ATOM 939 CB CYS A 59 64.804 51.542 -34.984 1.00 0.42 C ATOM 940 SG CYS A 59 65.261 49.833 -34.618 1.00 0.84 S ATOM 0 H CYS A 59 63.246 50.247 -33.313 1.00 0.44 H new ATOM 0 HA CYS A 59 62.972 52.738 -35.028 1.00 0.47 H new ATOM 0 HB2 CYS A 59 65.135 51.810 -35.987 1.00 0.42 H new ATOM 0 HB3 CYS A 59 65.305 52.219 -34.292 1.00 0.42 H new ATOM 945 N ASN A 60 61.381 50.384 -35.619 1.00 0.52 N ATOM 946 CA ASN A 60 60.612 49.574 -36.613 1.00 0.55 C ATOM 947 C ASN A 60 59.105 49.727 -36.369 1.00 0.71 C ATOM 948 O ASN A 60 58.699 50.803 -35.963 1.00 1.39 O ATOM 949 CB ASN A 60 61.078 48.125 -36.393 1.00 0.41 C ATOM 950 CG ASN A 60 60.187 47.410 -35.364 1.00 0.36 C ATOM 951 OD1 ASN A 60 59.751 48.011 -34.400 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.894 46.141 -35.531 1.00 0.40 N ATOM 953 OXT ASN A 60 58.387 48.768 -36.596 1.00 1.25 O ATOM 0 H ASN A 60 60.924 50.508 -34.716 1.00 0.52 H new ATOM 0 HA ASN A 60 60.787 49.894 -37.640 1.00 0.55 H new ATOM 0 HB2 ASN A 60 61.054 47.584 -37.339 1.00 0.41 H new ATOM 0 HB3 ASN A 60 62.112 48.120 -36.049 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.302 45.661 -34.853 1.00 0.40 H new ATOM 0 HD22 ASN A 60 60.258 45.635 -36.338 1.00 0.40 H new TER 960 ASN A 60