USER MOD reduce.3.24.130724 H: found=0, std=0, add=1155, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1158 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 171:sc= -0.576 USER MOD Single : A 45 GLN : amide:sc= -0.0768 X(o=-0.077,f=-0.077) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -3.57! C(o=-3.6!,f=-6.3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 140:sc= -0.432 (180deg=-2.14!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-2.5) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : B 109 THR OG1 : rot 180:sc= 0 USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 138 THR OG1 : rot 180:sc= -0.497 USER MOD Single : B 145 GLN : amide:sc= -0.0776 X(o=-0.078,f=-0.078) USER MOD Single : B 148 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 149 TYR OH : rot 180:sc= 0 USER MOD Single : B 152 SER OG : rot 180:sc= 0 USER MOD Single : B 155 GLN : amide:sc= -3.03! C(o=-3!,f=-6.2!) USER MOD Single : B 156 SER OG : rot 180:sc= 0 USER MOD Single : B 158 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 159 LYS NZ :NH3+ 141:sc= -0.819 (180deg=-2.82!) USER MOD Single : B 163 SER OG : rot 180:sc= 0 USER MOD Single : B 175 SER OG : rot 180:sc= 0 USER MOD Single : B 180 HIS : no HD1:sc= -2.54! K(o=-2.5!,f=-3.1) USER MOD Single : B 192 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.215 41.099 3.151 1.00 9.95 N ATOM 2 CA ALA A 1 16.706 40.123 2.135 1.00 9.34 C ATOM 3 C ALA A 1 15.558 39.266 1.599 1.00 8.30 C ATOM 4 O ALA A 1 15.043 38.393 2.296 1.00 8.16 O ATOM 5 CB ALA A 1 17.796 39.247 2.731 1.00 9.73 C ATOM 0 H1 ALA A 1 17.013 41.668 3.499 1.00 9.95 H new ATOM 0 H2 ALA A 1 15.506 41.725 2.717 1.00 9.95 H new ATOM 0 H3 ALA A 1 15.783 40.585 3.946 1.00 9.95 H new ATOM 0 HA ALA A 1 17.126 40.681 1.298 1.00 9.34 H new ATOM 0 HB1 ALA A 1 18.146 38.539 1.979 1.00 9.73 H new ATOM 0 HB2 ALA A 1 18.628 39.872 3.056 1.00 9.73 H new ATOM 0 HB3 ALA A 1 17.397 38.701 3.586 1.00 9.73 H new ATOM 13 N VAL A 2 15.149 39.545 0.366 1.00 7.83 N ATOM 14 CA VAL A 2 14.039 38.831 -0.269 1.00 7.06 C ATOM 15 C VAL A 2 14.453 37.489 -0.869 1.00 5.87 C ATOM 16 O VAL A 2 14.297 36.426 -0.273 1.00 5.74 O ATOM 17 CB VAL A 2 13.367 39.727 -1.348 1.00 7.48 C ATOM 18 CG1 VAL A 2 12.500 40.784 -0.682 1.00 8.02 C ATOM 19 CG2 VAL A 2 14.399 40.407 -2.254 1.00 7.83 C ATOM 0 H VAL A 2 15.571 40.265 -0.220 1.00 7.83 H new ATOM 0 HA VAL A 2 13.319 38.608 0.519 1.00 7.06 H new ATOM 0 HB VAL A 2 12.750 39.079 -1.971 1.00 7.48 H new ATOM 0 HG11 VAL A 2 12.034 41.406 -1.446 1.00 8.02 H new ATOM 0 HG12 VAL A 2 11.726 40.298 -0.088 1.00 8.02 H new ATOM 0 HG13 VAL A 2 13.118 41.406 -0.034 1.00 8.02 H new ATOM 0 HG21 VAL A 2 13.885 41.023 -2.992 1.00 7.83 H new ATOM 0 HG22 VAL A 2 15.055 41.035 -1.651 1.00 7.83 H new ATOM 0 HG23 VAL A 2 14.992 39.648 -2.764 1.00 7.83 H new ATOM 29 N LEU A 3 15.010 37.613 -2.032 1.00 5.32 N ATOM 30 CA LEU A 3 15.545 36.544 -2.844 1.00 4.36 C ATOM 31 C LEU A 3 16.971 36.950 -3.301 1.00 4.03 C ATOM 32 O LEU A 3 17.199 37.941 -3.997 1.00 4.40 O ATOM 33 CB LEU A 3 14.642 36.246 -4.058 1.00 4.40 C ATOM 34 CG LEU A 3 13.255 35.603 -3.785 1.00 5.00 C ATOM 35 CD1 LEU A 3 13.104 35.058 -2.364 1.00 5.26 C ATOM 36 CD2 LEU A 3 12.142 36.597 -4.087 1.00 5.86 C ATOM 0 H LEU A 3 15.115 38.524 -2.478 1.00 5.32 H new ATOM 0 HA LEU A 3 15.587 35.628 -2.255 1.00 4.36 H new ATOM 0 HB2 LEU A 3 14.479 37.182 -4.592 1.00 4.40 H new ATOM 0 HB3 LEU A 3 15.191 35.587 -4.731 1.00 4.40 H new ATOM 0 HG LEU A 3 13.179 34.746 -4.454 1.00 5.00 H new ATOM 0 HD11 LEU A 3 12.111 34.624 -2.244 1.00 5.26 H new ATOM 0 HD12 LEU A 3 13.859 34.292 -2.186 1.00 5.26 H new ATOM 0 HD13 LEU A 3 13.234 35.869 -1.648 1.00 5.26 H new ATOM 0 HD21 LEU A 3 11.176 36.132 -3.891 1.00 5.86 H new ATOM 0 HD22 LEU A 3 12.257 37.476 -3.453 1.00 5.86 H new ATOM 0 HD23 LEU A 3 12.195 36.896 -5.134 1.00 5.86 H new ATOM 48 N ASP A 4 17.870 36.081 -2.890 1.00 3.91 N ATOM 49 CA ASP A 4 19.274 36.105 -3.155 1.00 4.19 C ATOM 50 C ASP A 4 19.826 34.707 -2.889 1.00 3.97 C ATOM 51 O ASP A 4 19.065 33.764 -2.686 1.00 4.06 O ATOM 52 CB ASP A 4 19.957 37.148 -2.290 1.00 4.92 C ATOM 53 CG ASP A 4 19.740 38.548 -2.824 1.00 5.74 C ATOM 54 OD1 ASP A 4 20.367 38.896 -3.846 1.00 6.19 O ATOM 55 OD2 ASP A 4 18.935 39.293 -2.226 1.00 6.22 O ATOM 0 H ASP A 4 17.606 35.280 -2.317 1.00 3.91 H new ATOM 0 HA ASP A 4 19.465 36.379 -4.193 1.00 4.19 H new ATOM 0 HB2 ASP A 4 19.574 37.084 -1.272 1.00 4.92 H new ATOM 0 HB3 ASP A 4 21.026 36.938 -2.242 1.00 4.92 H new ATOM 60 N LEU A 5 21.149 34.548 -2.966 1.00 4.28 N ATOM 61 CA LEU A 5 21.656 33.182 -2.798 1.00 4.71 C ATOM 62 C LEU A 5 21.983 32.902 -1.364 1.00 5.46 C ATOM 63 O LEU A 5 22.563 31.877 -1.010 1.00 6.27 O ATOM 64 CB LEU A 5 22.831 32.899 -3.740 1.00 5.36 C ATOM 65 CG LEU A 5 23.143 31.416 -4.028 1.00 6.10 C ATOM 66 CD1 LEU A 5 21.911 30.518 -3.896 1.00 5.79 C ATOM 67 CD2 LEU A 5 23.743 31.275 -5.422 1.00 7.09 C ATOM 0 H LEU A 5 21.841 35.279 -3.130 1.00 4.28 H new ATOM 0 HA LEU A 5 20.864 32.489 -3.081 1.00 4.71 H new ATOM 0 HB2 LEU A 5 22.634 33.396 -4.690 1.00 5.36 H new ATOM 0 HB3 LEU A 5 23.724 33.360 -3.318 1.00 5.36 H new ATOM 0 HG LEU A 5 23.861 31.086 -3.277 1.00 6.10 H new ATOM 0 HD11 LEU A 5 22.189 29.486 -4.110 1.00 5.79 H new ATOM 0 HD12 LEU A 5 21.518 30.586 -2.881 1.00 5.79 H new ATOM 0 HD13 LEU A 5 21.147 30.842 -4.603 1.00 5.79 H new ATOM 0 HD21 LEU A 5 23.961 30.226 -5.620 1.00 7.09 H new ATOM 0 HD22 LEU A 5 23.033 31.644 -6.163 1.00 7.09 H new ATOM 0 HD23 LEU A 5 24.664 31.855 -5.482 1.00 7.09 H new ATOM 79 N ASP A 6 21.596 33.884 -0.534 1.00 5.46 N ATOM 80 CA ASP A 6 21.800 33.862 0.914 1.00 6.41 C ATOM 81 C ASP A 6 20.730 32.933 1.385 1.00 6.28 C ATOM 82 O ASP A 6 20.975 31.742 1.553 1.00 6.48 O ATOM 83 CB ASP A 6 21.630 35.272 1.504 1.00 7.20 C ATOM 84 CG ASP A 6 22.953 35.930 1.855 1.00 8.21 C ATOM 85 OD1 ASP A 6 23.649 36.399 0.929 1.00 8.78 O ATOM 86 OD2 ASP A 6 23.287 35.984 3.056 1.00 8.64 O ATOM 0 H ASP A 6 21.125 34.728 -0.861 1.00 5.46 H new ATOM 0 HA ASP A 6 22.798 33.542 1.214 1.00 6.41 H new ATOM 0 HB2 ASP A 6 21.097 35.898 0.788 1.00 7.20 H new ATOM 0 HB3 ASP A 6 21.011 35.214 2.399 1.00 7.20 H new ATOM 91 N VAL A 7 19.506 33.434 1.423 1.00 6.22 N ATOM 92 CA VAL A 7 18.408 32.567 1.641 1.00 6.28 C ATOM 93 C VAL A 7 17.243 33.231 0.943 1.00 5.52 C ATOM 94 O VAL A 7 16.761 34.263 1.389 1.00 5.69 O ATOM 95 CB VAL A 7 18.154 32.395 3.159 1.00 7.22 C ATOM 96 CG1 VAL A 7 17.930 33.739 3.846 1.00 7.36 C ATOM 97 CG2 VAL A 7 16.998 31.449 3.418 1.00 7.51 C ATOM 0 H VAL A 7 19.271 34.420 1.306 1.00 6.22 H new ATOM 0 HA VAL A 7 18.578 31.563 1.252 1.00 6.28 H new ATOM 0 HB VAL A 7 19.051 31.952 3.591 1.00 7.22 H new ATOM 0 HG11 VAL A 7 17.755 33.579 4.910 1.00 7.36 H new ATOM 0 HG12 VAL A 7 18.811 34.367 3.714 1.00 7.36 H new ATOM 0 HG13 VAL A 7 17.064 34.233 3.406 1.00 7.36 H new ATOM 0 HG21 VAL A 7 16.844 31.348 4.492 1.00 7.51 H new ATOM 0 HG22 VAL A 7 16.093 31.845 2.957 1.00 7.51 H new ATOM 0 HG23 VAL A 7 17.225 30.472 2.991 1.00 7.51 H new ATOM 107 N ARG A 8 16.718 32.620 -0.115 1.00 5.09 N ATOM 108 CA ARG A 8 15.574 33.198 -0.749 1.00 4.80 C ATOM 109 C ARG A 8 14.422 32.806 0.099 1.00 4.48 C ATOM 110 O ARG A 8 14.147 31.607 0.216 1.00 4.96 O ATOM 111 CB ARG A 8 15.425 32.720 -2.197 1.00 5.24 C ATOM 112 CG ARG A 8 16.321 33.462 -3.192 1.00 6.15 C ATOM 113 CD ARG A 8 16.216 32.928 -4.606 1.00 6.93 C ATOM 114 NE ARG A 8 14.895 33.182 -5.180 1.00 7.61 N ATOM 115 CZ ARG A 8 14.693 33.753 -6.364 1.00 8.32 C ATOM 116 NH1 ARG A 8 15.717 34.128 -7.118 1.00 8.49 N ATOM 117 NH2 ARG A 8 13.459 33.949 -6.800 1.00 9.08 N ATOM 0 H ARG A 8 17.063 31.754 -0.529 1.00 5.09 H new ATOM 0 HA ARG A 8 15.656 34.282 -0.826 1.00 4.80 H new ATOM 0 HB2 ARG A 8 15.653 31.655 -2.243 1.00 5.24 H new ATOM 0 HB3 ARG A 8 14.385 32.837 -2.502 1.00 5.24 H new ATOM 0 HG2 ARG A 8 16.057 34.520 -3.190 1.00 6.15 H new ATOM 0 HG3 ARG A 8 17.357 33.391 -2.860 1.00 6.15 H new ATOM 0 HD2 ARG A 8 16.980 33.393 -5.229 1.00 6.93 H new ATOM 0 HD3 ARG A 8 16.414 31.856 -4.607 1.00 6.93 H new ATOM 0 HE ARG A 8 14.077 32.904 -4.638 1.00 7.61 H new ATOM 0 HH11 ARG A 8 16.672 33.979 -6.792 1.00 8.49 H new ATOM 0 HH12 ARG A 8 15.550 34.565 -8.024 1.00 8.49 H new ATOM 0 HH21 ARG A 8 12.665 33.662 -6.228 1.00 9.08 H new ATOM 0 HH22 ARG A 8 13.302 34.387 -7.708 1.00 9.08 H new ATOM 131 N THR A 9 13.753 33.728 0.733 1.00 4.05 N ATOM 132 CA THR A 9 12.675 33.246 1.552 1.00 4.08 C ATOM 133 C THR A 9 11.690 32.510 0.649 1.00 3.18 C ATOM 134 O THR A 9 10.914 33.113 -0.090 1.00 3.47 O ATOM 135 CB THR A 9 12.003 34.438 2.249 1.00 4.95 C ATOM 136 OG1 THR A 9 10.846 34.047 2.970 1.00 5.55 O ATOM 137 CG2 THR A 9 11.595 35.540 1.284 1.00 5.66 C ATOM 0 H THR A 9 13.912 34.735 0.708 1.00 4.05 H new ATOM 0 HA THR A 9 13.037 32.563 2.321 1.00 4.08 H new ATOM 0 HB THR A 9 12.762 34.822 2.930 1.00 4.95 H new ATOM 0 HG1 THR A 9 10.448 34.832 3.400 1.00 5.55 H new ATOM 0 HG21 THR A 9 11.126 36.353 1.838 1.00 5.66 H new ATOM 0 HG22 THR A 9 12.478 35.915 0.766 1.00 5.66 H new ATOM 0 HG23 THR A 9 10.888 35.142 0.555 1.00 5.66 H new ATOM 145 N CYS A 10 11.742 31.184 0.770 1.00 2.54 N ATOM 146 CA CYS A 10 10.876 30.265 0.037 1.00 1.93 C ATOM 147 C CYS A 10 9.461 30.150 0.655 1.00 1.72 C ATOM 148 O CYS A 10 9.322 29.630 1.763 1.00 1.97 O ATOM 149 CB CYS A 10 11.552 28.903 -0.093 1.00 2.28 C ATOM 150 SG CYS A 10 11.622 28.285 -1.808 1.00 2.68 S ATOM 0 H CYS A 10 12.399 30.711 1.391 1.00 2.54 H new ATOM 0 HA CYS A 10 10.727 30.678 -0.961 1.00 1.93 H new ATOM 0 HB2 CYS A 10 12.566 28.970 0.302 1.00 2.28 H new ATOM 0 HB3 CYS A 10 11.017 28.181 0.523 1.00 2.28 H new ATOM 155 N LEU A 11 8.425 30.594 -0.061 1.00 1.49 N ATOM 156 CA LEU A 11 7.017 30.512 0.414 1.00 1.39 C ATOM 157 C LEU A 11 6.890 29.948 1.843 1.00 1.20 C ATOM 158 O LEU A 11 7.186 28.771 2.077 1.00 1.16 O ATOM 159 CB LEU A 11 6.185 29.654 -0.550 1.00 1.55 C ATOM 160 CG LEU A 11 5.680 30.387 -1.795 1.00 1.91 C ATOM 161 CD1 LEU A 11 4.798 31.564 -1.404 1.00 2.48 C ATOM 162 CD2 LEU A 11 6.849 30.856 -2.647 1.00 2.29 C ATOM 0 H LEU A 11 8.524 31.020 -0.982 1.00 1.49 H new ATOM 0 HA LEU A 11 6.639 31.534 0.437 1.00 1.39 H new ATOM 0 HB2 LEU A 11 6.787 28.803 -0.867 1.00 1.55 H new ATOM 0 HB3 LEU A 11 5.327 29.254 -0.009 1.00 1.55 H new ATOM 0 HG LEU A 11 5.081 29.692 -2.383 1.00 1.91 H new ATOM 0 HD11 LEU A 11 4.449 32.072 -2.303 1.00 2.48 H new ATOM 0 HD12 LEU A 11 3.941 31.203 -0.835 1.00 2.48 H new ATOM 0 HD13 LEU A 11 5.371 32.261 -0.793 1.00 2.48 H new ATOM 0 HD21 LEU A 11 6.472 31.375 -3.528 1.00 2.29 H new ATOM 0 HD22 LEU A 11 7.474 31.534 -2.066 1.00 2.29 H new ATOM 0 HD23 LEU A 11 7.441 29.995 -2.959 1.00 2.29 H new ATOM 174 N PRO A 12 6.473 30.793 2.820 1.00 1.19 N ATOM 175 CA PRO A 12 6.344 30.392 4.235 1.00 1.11 C ATOM 176 C PRO A 12 5.082 29.600 4.593 1.00 1.01 C ATOM 177 O PRO A 12 3.955 30.049 4.360 1.00 1.05 O ATOM 178 CB PRO A 12 6.333 31.731 4.967 1.00 1.29 C ATOM 179 CG PRO A 12 5.721 32.685 4.002 1.00 1.49 C ATOM 180 CD PRO A 12 6.139 32.222 2.629 1.00 1.39 C ATOM 0 HA PRO A 12 7.149 29.707 4.501 1.00 1.11 H new ATOM 0 HB2 PRO A 12 5.754 31.674 5.888 1.00 1.29 H new ATOM 0 HB3 PRO A 12 7.341 32.039 5.243 1.00 1.29 H new ATOM 0 HG2 PRO A 12 4.635 32.691 4.097 1.00 1.49 H new ATOM 0 HG3 PRO A 12 6.063 33.703 4.191 1.00 1.49 H new ATOM 0 HD2 PRO A 12 5.336 32.351 1.903 1.00 1.39 H new ATOM 0 HD3 PRO A 12 6.996 32.787 2.261 1.00 1.39 H new ATOM 188 N CYS A 13 5.297 28.411 5.172 1.00 0.93 N ATOM 189 CA CYS A 13 4.188 27.538 5.576 1.00 0.89 C ATOM 190 C CYS A 13 4.353 27.071 7.019 1.00 0.90 C ATOM 191 O CYS A 13 5.266 27.504 7.714 1.00 1.00 O ATOM 192 CB CYS A 13 4.076 26.325 4.646 1.00 0.82 C ATOM 193 SG CYS A 13 5.559 25.265 4.584 1.00 0.86 S ATOM 0 H CYS A 13 6.224 28.034 5.370 1.00 0.93 H new ATOM 0 HA CYS A 13 3.270 28.122 5.502 1.00 0.89 H new ATOM 0 HB2 CYS A 13 3.227 25.719 4.964 1.00 0.82 H new ATOM 0 HB3 CYS A 13 3.857 26.677 3.638 1.00 0.82 H new ATOM 198 N GLY A 14 3.463 26.216 7.489 1.00 0.91 N ATOM 199 CA GLY A 14 3.539 25.760 8.874 1.00 0.98 C ATOM 200 C GLY A 14 3.059 26.819 9.863 1.00 1.10 C ATOM 201 O GLY A 14 2.382 27.766 9.467 1.00 1.15 O ATOM 0 H GLY A 14 2.691 25.827 6.948 1.00 0.91 H new ATOM 0 HA2 GLY A 14 2.937 24.859 8.990 1.00 0.98 H new ATOM 0 HA3 GLY A 14 4.568 25.488 9.108 1.00 0.98 H new ATOM 205 N PRO A 15 3.411 26.709 11.160 1.00 1.19 N ATOM 206 CA PRO A 15 3.026 27.690 12.195 1.00 1.33 C ATOM 207 C PRO A 15 3.642 29.067 11.973 1.00 1.40 C ATOM 208 O PRO A 15 4.761 29.358 12.397 1.00 1.57 O ATOM 209 CB PRO A 15 3.613 27.065 13.447 1.00 1.46 C ATOM 210 CG PRO A 15 4.831 26.519 12.861 1.00 1.39 C ATOM 211 CD PRO A 15 4.279 25.694 11.744 1.00 1.21 C ATOM 0 HA PRO A 15 1.951 27.867 12.217 1.00 1.33 H new ATOM 0 HB2 PRO A 15 3.811 27.795 14.232 1.00 1.46 H new ATOM 0 HB3 PRO A 15 2.970 26.298 13.879 1.00 1.46 H new ATOM 0 HG2 PRO A 15 5.500 27.301 12.502 1.00 1.39 H new ATOM 0 HG3 PRO A 15 5.396 25.919 13.574 1.00 1.39 H new ATOM 0 HD2 PRO A 15 5.046 25.341 11.055 1.00 1.21 H new ATOM 0 HD3 PRO A 15 3.735 24.816 12.091 1.00 1.21 H new ATOM 219 N GLY A 16 2.875 29.885 11.340 1.00 1.34 N ATOM 220 CA GLY A 16 3.249 31.244 11.055 1.00 1.47 C ATOM 221 C GLY A 16 4.089 31.366 9.823 1.00 1.43 C ATOM 222 O GLY A 16 4.398 32.475 9.386 1.00 1.68 O ATOM 0 H GLY A 16 1.949 29.632 10.995 1.00 1.34 H new ATOM 0 HA2 GLY A 16 2.349 31.847 10.937 1.00 1.47 H new ATOM 0 HA3 GLY A 16 3.797 31.652 11.905 1.00 1.47 H new ATOM 226 N GLY A 17 4.401 30.241 9.207 1.00 1.28 N ATOM 227 CA GLY A 17 5.140 30.313 8.006 1.00 1.25 C ATOM 228 C GLY A 17 6.647 30.416 8.146 1.00 1.24 C ATOM 229 O GLY A 17 7.338 31.034 7.337 1.00 1.36 O ATOM 0 H GLY A 17 4.154 29.303 9.523 1.00 1.28 H new ATOM 0 HA2 GLY A 17 4.912 29.429 7.411 1.00 1.25 H new ATOM 0 HA3 GLY A 17 4.790 31.177 7.441 1.00 1.25 H new ATOM 233 N LYS A 18 7.119 29.719 9.167 1.00 1.18 N ATOM 234 CA LYS A 18 8.545 29.595 9.452 1.00 1.23 C ATOM 235 C LYS A 18 9.131 28.617 8.424 1.00 1.13 C ATOM 236 O LYS A 18 10.287 28.714 8.009 1.00 1.22 O ATOM 237 CB LYS A 18 8.779 29.060 10.871 1.00 1.28 C ATOM 238 CG LYS A 18 7.620 29.306 11.832 1.00 1.34 C ATOM 239 CD LYS A 18 8.022 30.214 12.976 1.00 1.73 C ATOM 240 CE LYS A 18 7.470 29.721 14.302 1.00 1.91 C ATOM 241 NZ LYS A 18 8.318 28.650 14.896 1.00 2.50 N ATOM 0 H LYS A 18 6.523 29.219 9.827 1.00 1.18 H new ATOM 0 HA LYS A 18 9.025 30.571 9.387 1.00 1.23 H new ATOM 0 HB2 LYS A 18 8.969 27.988 10.816 1.00 1.28 H new ATOM 0 HB3 LYS A 18 9.678 29.523 11.278 1.00 1.28 H new ATOM 0 HG2 LYS A 18 6.786 29.752 11.290 1.00 1.34 H new ATOM 0 HG3 LYS A 18 7.269 28.354 12.230 1.00 1.34 H new ATOM 0 HD2 LYS A 18 9.109 30.270 13.032 1.00 1.73 H new ATOM 0 HD3 LYS A 18 7.660 31.224 12.784 1.00 1.73 H new ATOM 0 HE2 LYS A 18 7.400 30.556 14.999 1.00 1.91 H new ATOM 0 HE3 LYS A 18 6.458 29.343 14.155 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 7.906 28.342 15.800 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 8.364 27.842 14.243 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 9.277 29.018 15.060 1.00 2.50 H new ATOM 255 N GLY A 19 8.267 27.681 8.043 1.00 1.02 N ATOM 256 CA GLY A 19 8.574 26.646 7.075 1.00 0.95 C ATOM 257 C GLY A 19 8.505 27.138 5.645 1.00 0.91 C ATOM 258 O GLY A 19 8.129 28.281 5.398 1.00 1.00 O ATOM 0 H GLY A 19 7.317 27.624 8.409 1.00 1.02 H new ATOM 0 HA2 GLY A 19 9.573 26.256 7.272 1.00 0.95 H new ATOM 0 HA3 GLY A 19 7.877 25.818 7.203 1.00 0.95 H new ATOM 262 N ARG A 20 8.873 26.275 4.700 1.00 0.86 N ATOM 263 CA ARG A 20 8.848 26.621 3.285 1.00 0.86 C ATOM 264 C ARG A 20 8.336 25.437 2.468 1.00 0.80 C ATOM 265 O ARG A 20 8.313 24.306 2.954 1.00 0.78 O ATOM 266 CB ARG A 20 10.247 26.993 2.803 1.00 0.94 C ATOM 267 CG ARG A 20 10.923 28.074 3.633 1.00 1.13 C ATOM 268 CD ARG A 20 12.131 27.530 4.384 1.00 1.55 C ATOM 269 NE ARG A 20 13.386 28.099 3.894 1.00 1.82 N ATOM 270 CZ ARG A 20 14.488 28.218 4.634 1.00 2.25 C ATOM 271 NH1 ARG A 20 14.499 27.810 5.897 1.00 2.59 N ATOM 272 NH2 ARG A 20 15.586 28.745 4.108 1.00 2.92 N ATOM 0 H ARG A 20 9.193 25.326 4.893 1.00 0.86 H new ATOM 0 HA ARG A 20 8.183 27.475 3.152 1.00 0.86 H new ATOM 0 HB2 ARG A 20 10.872 26.100 2.811 1.00 0.94 H new ATOM 0 HB3 ARG A 20 10.186 27.330 1.768 1.00 0.94 H new ATOM 0 HG2 ARG A 20 11.236 28.891 2.983 1.00 1.13 H new ATOM 0 HG3 ARG A 20 10.208 28.488 4.344 1.00 1.13 H new ATOM 0 HD2 ARG A 20 12.025 27.748 5.447 1.00 1.55 H new ATOM 0 HD3 ARG A 20 12.162 26.445 4.283 1.00 1.55 H new ATOM 0 HE ARG A 20 13.420 28.424 2.928 1.00 1.82 H new ATOM 0 HH11 ARG A 20 13.660 27.402 6.308 1.00 2.59 H new ATOM 0 HH12 ARG A 20 15.347 27.905 6.456 1.00 2.59 H new ATOM 0 HH21 ARG A 20 15.587 29.059 3.138 1.00 2.92 H new ATOM 0 HH22 ARG A 20 16.430 28.836 4.674 1.00 2.92 H new ATOM 286 N CYS A 21 7.926 25.691 1.228 1.00 0.82 N ATOM 287 CA CYS A 21 7.414 24.616 0.378 1.00 0.81 C ATOM 288 C CYS A 21 8.378 24.259 -0.746 1.00 0.84 C ATOM 289 O CYS A 21 9.027 25.123 -1.333 1.00 1.04 O ATOM 290 CB CYS A 21 6.063 24.986 -0.235 1.00 0.91 C ATOM 291 SG CYS A 21 5.200 23.570 -0.988 1.00 1.10 S ATOM 0 H CYS A 21 7.937 26.614 0.794 1.00 0.82 H new ATOM 0 HA CYS A 21 7.298 23.750 1.029 1.00 0.81 H new ATOM 0 HB2 CYS A 21 5.428 25.420 0.537 1.00 0.91 H new ATOM 0 HB3 CYS A 21 6.214 25.755 -0.993 1.00 0.91 H new ATOM 296 N PHE A 22 8.432 22.963 -1.044 1.00 0.76 N ATOM 297 CA PHE A 22 9.276 22.427 -2.110 1.00 0.83 C ATOM 298 C PHE A 22 8.417 21.572 -3.035 1.00 0.94 C ATOM 299 O PHE A 22 8.358 21.805 -4.242 1.00 1.43 O ATOM 300 CB PHE A 22 10.411 21.590 -1.516 1.00 0.85 C ATOM 301 CG PHE A 22 11.361 22.392 -0.674 1.00 0.84 C ATOM 302 CD1 PHE A 22 10.979 22.861 0.574 1.00 1.42 C ATOM 303 CD2 PHE A 22 12.635 22.684 -1.137 1.00 1.40 C ATOM 304 CE1 PHE A 22 11.852 23.608 1.344 1.00 1.50 C ATOM 305 CE2 PHE A 22 13.513 23.429 -0.369 1.00 1.51 C ATOM 306 CZ PHE A 22 13.120 23.892 0.872 1.00 1.14 C ATOM 0 H PHE A 22 7.890 22.253 -0.552 1.00 0.76 H new ATOM 0 HA PHE A 22 9.718 23.247 -2.676 1.00 0.83 H new ATOM 0 HB2 PHE A 22 9.985 20.791 -0.910 1.00 0.85 H new ATOM 0 HB3 PHE A 22 10.965 21.115 -2.326 1.00 0.85 H new ATOM 0 HD1 PHE A 22 9.990 22.641 0.948 1.00 1.42 H new ATOM 0 HD2 PHE A 22 12.946 22.326 -2.108 1.00 1.40 H new ATOM 0 HE1 PHE A 22 11.543 23.969 2.314 1.00 1.50 H new ATOM 0 HE2 PHE A 22 14.504 23.648 -0.739 1.00 1.51 H new ATOM 0 HZ PHE A 22 13.802 24.475 1.473 1.00 1.14 H new ATOM 316 N GLY A 23 7.720 20.605 -2.442 1.00 0.83 N ATOM 317 CA GLY A 23 6.827 19.749 -3.202 1.00 0.88 C ATOM 318 C GLY A 23 5.405 20.275 -3.124 1.00 0.88 C ATOM 319 O GLY A 23 5.041 20.899 -2.128 1.00 0.90 O ATOM 0 H GLY A 23 7.759 20.399 -1.444 1.00 0.83 H new ATOM 0 HA2 GLY A 23 7.150 19.706 -4.242 1.00 0.88 H new ATOM 0 HA3 GLY A 23 6.868 18.732 -2.813 1.00 0.88 H new ATOM 323 N PRO A 24 4.569 20.066 -4.154 1.00 1.01 N ATOM 324 CA PRO A 24 3.191 20.567 -4.146 1.00 1.07 C ATOM 325 C PRO A 24 2.435 20.201 -2.866 1.00 0.96 C ATOM 326 O PRO A 24 1.802 21.057 -2.249 1.00 1.03 O ATOM 327 CB PRO A 24 2.560 19.894 -5.365 1.00 1.32 C ATOM 328 CG PRO A 24 3.704 19.632 -6.285 1.00 1.50 C ATOM 329 CD PRO A 24 4.893 19.350 -5.403 1.00 1.24 C ATOM 0 HA PRO A 24 3.156 21.656 -4.181 1.00 1.07 H new ATOM 0 HB2 PRO A 24 2.053 18.969 -5.089 1.00 1.32 H new ATOM 0 HB3 PRO A 24 1.815 20.538 -5.832 1.00 1.32 H new ATOM 0 HG2 PRO A 24 3.493 18.785 -6.938 1.00 1.50 H new ATOM 0 HG3 PRO A 24 3.891 20.491 -6.929 1.00 1.50 H new ATOM 0 HD2 PRO A 24 5.022 18.281 -5.232 1.00 1.24 H new ATOM 0 HD3 PRO A 24 5.819 19.716 -5.847 1.00 1.24 H new ATOM 337 N SER A 25 2.507 18.933 -2.471 1.00 0.97 N ATOM 338 CA SER A 25 1.827 18.468 -1.260 1.00 0.92 C ATOM 339 C SER A 25 2.803 18.336 -0.089 1.00 0.78 C ATOM 340 O SER A 25 2.434 17.856 0.984 1.00 0.81 O ATOM 341 CB SER A 25 1.161 17.111 -1.516 1.00 1.12 C ATOM 342 OG SER A 25 -0.249 17.193 -1.386 1.00 1.26 O ATOM 0 H SER A 25 3.027 18.209 -2.968 1.00 0.97 H new ATOM 0 HA SER A 25 1.071 19.209 -1.001 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.416 16.762 -2.517 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.550 16.375 -0.813 1.00 1.12 H new ATOM 0 HG SER A 25 -0.645 16.313 -1.557 1.00 1.26 H new ATOM 348 N ILE A 26 4.055 18.728 -0.307 1.00 0.70 N ATOM 349 CA ILE A 26 5.082 18.611 0.716 1.00 0.61 C ATOM 350 C ILE A 26 5.701 19.957 1.111 1.00 0.58 C ATOM 351 O ILE A 26 6.251 20.671 0.269 1.00 0.73 O ATOM 352 CB ILE A 26 6.210 17.656 0.283 1.00 0.60 C ATOM 353 CG1 ILE A 26 5.723 16.627 -0.752 1.00 0.79 C ATOM 354 CG2 ILE A 26 6.789 16.974 1.500 1.00 0.74 C ATOM 355 CD1 ILE A 26 6.844 16.023 -1.576 1.00 0.83 C ATOM 0 H ILE A 26 4.380 19.130 -1.186 1.00 0.70 H new ATOM 0 HA ILE A 26 4.567 18.206 1.587 1.00 0.61 H new ATOM 0 HB ILE A 26 6.990 18.242 -0.202 1.00 0.60 H new ATOM 0 HG12 ILE A 26 5.191 15.828 -0.236 1.00 0.79 H new ATOM 0 HG13 ILE A 26 5.008 17.106 -1.421 1.00 0.79 H new ATOM 0 HG21 ILE A 26 7.587 16.298 1.193 1.00 0.74 H new ATOM 0 HG22 ILE A 26 7.191 17.724 2.181 1.00 0.74 H new ATOM 0 HG23 ILE A 26 6.008 16.407 2.005 1.00 0.74 H new ATOM 0 HD11 ILE A 26 6.429 15.307 -2.285 1.00 0.83 H new ATOM 0 HD12 ILE A 26 7.362 16.813 -2.120 1.00 0.83 H new ATOM 0 HD13 ILE A 26 7.547 15.515 -0.916 1.00 0.83 H new ATOM 367 N CYS A 27 5.623 20.281 2.407 1.00 0.56 N ATOM 368 CA CYS A 27 6.197 21.523 2.944 1.00 0.56 C ATOM 369 C CYS A 27 7.147 21.194 4.111 1.00 0.55 C ATOM 370 O CYS A 27 6.773 20.512 5.058 1.00 0.59 O ATOM 371 CB CYS A 27 5.093 22.485 3.407 1.00 0.60 C ATOM 372 SG CYS A 27 5.325 24.212 2.861 1.00 0.92 S ATOM 0 H CYS A 27 5.166 19.698 3.108 1.00 0.56 H new ATOM 0 HA CYS A 27 6.760 22.017 2.152 1.00 0.56 H new ATOM 0 HB2 CYS A 27 4.134 22.124 3.036 1.00 0.60 H new ATOM 0 HB3 CYS A 27 5.042 22.464 4.496 1.00 0.60 H new ATOM 377 N CYS A 28 8.385 21.650 4.005 1.00 0.56 N ATOM 378 CA CYS A 28 9.416 21.390 4.983 1.00 0.58 C ATOM 379 C CYS A 28 10.214 22.657 5.428 1.00 0.61 C ATOM 380 O CYS A 28 10.539 23.543 4.639 1.00 0.76 O ATOM 381 CB CYS A 28 10.389 20.337 4.425 1.00 0.65 C ATOM 382 SG CYS A 28 9.831 19.531 2.890 1.00 1.28 S ATOM 0 H CYS A 28 8.702 22.221 3.221 1.00 0.56 H new ATOM 0 HA CYS A 28 8.908 21.027 5.876 1.00 0.58 H new ATOM 0 HB2 CYS A 28 11.353 20.812 4.241 1.00 0.65 H new ATOM 0 HB3 CYS A 28 10.551 19.572 5.184 1.00 0.65 H new ATOM 387 N GLY A 29 10.513 22.671 6.764 1.00 0.62 N ATOM 388 CA GLY A 29 11.262 23.718 7.393 1.00 0.65 C ATOM 389 C GLY A 29 12.361 23.126 8.261 1.00 0.67 C ATOM 390 O GLY A 29 12.589 21.915 8.255 1.00 0.66 O ATOM 0 H GLY A 29 10.222 21.934 7.407 1.00 0.62 H new ATOM 0 HA2 GLY A 29 11.698 24.370 6.635 1.00 0.65 H new ATOM 0 HA3 GLY A 29 10.600 24.334 8.001 1.00 0.65 H new ATOM 394 N ASP A 30 13.048 23.971 8.987 1.00 0.72 N ATOM 395 CA ASP A 30 14.154 23.538 9.828 1.00 0.76 C ATOM 396 C ASP A 30 13.728 22.582 10.949 1.00 0.77 C ATOM 397 O ASP A 30 14.279 21.501 11.122 1.00 0.80 O ATOM 398 CB ASP A 30 14.870 24.763 10.420 1.00 0.84 C ATOM 399 CG ASP A 30 13.934 25.672 11.195 1.00 1.41 C ATOM 400 OD1 ASP A 30 12.796 25.889 10.728 1.00 2.27 O ATOM 401 OD2 ASP A 30 14.339 26.163 12.270 1.00 1.92 O ATOM 0 H ASP A 30 12.865 24.974 9.018 1.00 0.72 H new ATOM 0 HA ASP A 30 14.835 22.977 9.187 1.00 0.76 H new ATOM 0 HB2 ASP A 30 15.671 24.427 11.078 1.00 0.84 H new ATOM 0 HB3 ASP A 30 15.336 25.330 9.615 1.00 0.84 H new ATOM 406 N GLU A 31 12.812 23.019 11.745 1.00 0.78 N ATOM 407 CA GLU A 31 12.351 22.277 12.919 1.00 0.83 C ATOM 408 C GLU A 31 10.925 21.836 12.743 1.00 0.87 C ATOM 409 O GLU A 31 10.310 21.281 13.649 1.00 1.00 O ATOM 410 CB GLU A 31 12.478 23.095 14.208 1.00 0.90 C ATOM 411 CG GLU A 31 13.399 24.300 14.110 1.00 0.99 C ATOM 412 CD GLU A 31 14.372 24.390 15.270 1.00 1.14 C ATOM 413 OE1 GLU A 31 15.464 23.793 15.176 1.00 1.64 O ATOM 414 OE2 GLU A 31 14.042 25.060 16.271 1.00 1.66 O ATOM 0 H GLU A 31 12.341 23.914 11.615 1.00 0.78 H new ATOM 0 HA GLU A 31 12.995 21.403 13.010 1.00 0.83 H new ATOM 0 HB2 GLU A 31 11.486 23.437 14.504 1.00 0.90 H new ATOM 0 HB3 GLU A 31 12.840 22.442 15.002 1.00 0.90 H new ATOM 0 HG2 GLU A 31 13.958 24.250 13.176 1.00 0.99 H new ATOM 0 HG3 GLU A 31 12.798 25.209 14.074 1.00 0.99 H new ATOM 421 N LEU A 32 10.410 22.090 11.552 1.00 0.82 N ATOM 422 CA LEU A 32 9.106 21.732 11.122 1.00 0.88 C ATOM 423 C LEU A 32 9.277 20.520 10.190 1.00 0.82 C ATOM 424 O LEU A 32 8.331 19.793 9.895 1.00 0.90 O ATOM 425 CB LEU A 32 8.527 22.932 10.400 1.00 0.93 C ATOM 426 CG LEU A 32 7.298 23.543 11.049 1.00 1.15 C ATOM 427 CD1 LEU A 32 7.165 24.999 10.635 1.00 1.24 C ATOM 428 CD2 LEU A 32 6.057 22.748 10.685 1.00 1.37 C ATOM 0 H LEU A 32 10.938 22.582 10.831 1.00 0.82 H new ATOM 0 HA LEU A 32 8.430 21.465 11.934 1.00 0.88 H new ATOM 0 HB2 LEU A 32 9.298 23.699 10.325 1.00 0.93 H new ATOM 0 HB3 LEU A 32 8.272 22.636 9.382 1.00 0.93 H new ATOM 0 HG LEU A 32 7.408 23.506 12.133 1.00 1.15 H new ATOM 0 HD11 LEU A 32 6.281 25.431 11.104 1.00 1.24 H new ATOM 0 HD12 LEU A 32 8.050 25.550 10.952 1.00 1.24 H new ATOM 0 HD13 LEU A 32 7.068 25.062 9.551 1.00 1.24 H new ATOM 0 HD21 LEU A 32 5.184 23.199 11.158 1.00 1.37 H new ATOM 0 HD22 LEU A 32 5.926 22.753 9.603 1.00 1.37 H new ATOM 0 HD23 LEU A 32 6.168 21.721 11.032 1.00 1.37 H new ATOM 440 N GLY A 33 10.541 20.254 9.850 1.00 0.73 N ATOM 441 CA GLY A 33 10.901 19.066 9.106 1.00 0.71 C ATOM 442 C GLY A 33 10.430 18.948 7.665 1.00 0.67 C ATOM 443 O GLY A 33 11.021 19.577 6.802 1.00 0.65 O ATOM 0 H GLY A 33 11.330 20.856 10.085 1.00 0.73 H new ATOM 0 HA2 GLY A 33 11.988 18.989 9.108 1.00 0.71 H new ATOM 0 HA3 GLY A 33 10.520 18.203 9.652 1.00 0.71 H new ATOM 447 N CYS A 34 9.318 18.221 7.403 1.00 0.70 N ATOM 448 CA CYS A 34 8.736 18.104 6.053 1.00 0.69 C ATOM 449 C CYS A 34 7.375 17.454 6.150 1.00 0.65 C ATOM 450 O CYS A 34 7.276 16.250 6.386 1.00 0.62 O ATOM 451 CB CYS A 34 9.631 17.327 5.116 1.00 0.73 C ATOM 452 SG CYS A 34 9.328 17.604 3.341 1.00 1.08 S ATOM 0 H CYS A 34 8.806 17.705 8.118 1.00 0.70 H new ATOM 0 HA CYS A 34 8.636 19.106 5.637 1.00 0.69 H new ATOM 0 HB2 CYS A 34 10.668 17.583 5.335 1.00 0.73 H new ATOM 0 HB3 CYS A 34 9.514 16.264 5.326 1.00 0.73 H new ATOM 457 N PHE A 35 6.319 18.240 5.970 1.00 0.68 N ATOM 458 CA PHE A 35 5.000 17.703 6.057 1.00 0.67 C ATOM 459 C PHE A 35 4.652 17.241 4.683 1.00 0.64 C ATOM 460 O PHE A 35 4.370 18.048 3.794 1.00 0.63 O ATOM 461 CB PHE A 35 4.021 18.781 6.531 1.00 0.69 C ATOM 462 CG PHE A 35 4.170 19.176 7.985 1.00 0.73 C ATOM 463 CD1 PHE A 35 5.354 18.965 8.679 1.00 1.16 C ATOM 464 CD2 PHE A 35 3.112 19.766 8.658 1.00 0.98 C ATOM 465 CE1 PHE A 35 5.470 19.333 10.005 1.00 1.38 C ATOM 466 CE2 PHE A 35 3.228 20.138 9.982 1.00 1.21 C ATOM 467 CZ PHE A 35 4.408 19.922 10.656 1.00 1.26 C ATOM 0 H PHE A 35 6.367 19.238 5.766 1.00 0.68 H new ATOM 0 HA PHE A 35 4.945 16.883 6.773 1.00 0.67 H new ATOM 0 HB2 PHE A 35 4.152 19.669 5.912 1.00 0.69 H new ATOM 0 HB3 PHE A 35 3.004 18.426 6.368 1.00 0.69 H new ATOM 0 HD1 PHE A 35 6.194 18.508 8.176 1.00 1.16 H new ATOM 0 HD2 PHE A 35 2.181 19.938 8.138 1.00 0.98 H new ATOM 0 HE1 PHE A 35 6.396 19.159 10.533 1.00 1.38 H new ATOM 0 HE2 PHE A 35 2.393 20.598 10.489 1.00 1.21 H new ATOM 0 HZ PHE A 35 4.501 20.213 11.692 1.00 1.26 H new ATOM 477 N VAL A 36 4.674 15.952 4.494 1.00 0.67 N ATOM 478 CA VAL A 36 4.362 15.438 3.213 1.00 0.68 C ATOM 479 C VAL A 36 2.904 15.078 3.180 1.00 0.71 C ATOM 480 O VAL A 36 2.467 13.965 3.519 1.00 0.74 O ATOM 481 CB VAL A 36 5.305 14.292 2.754 1.00 0.74 C ATOM 482 CG1 VAL A 36 5.383 14.254 1.239 1.00 0.75 C ATOM 483 CG2 VAL A 36 6.706 14.469 3.351 1.00 0.76 C ATOM 0 H VAL A 36 4.902 15.257 5.205 1.00 0.67 H new ATOM 0 HA VAL A 36 4.543 16.215 2.470 1.00 0.68 H new ATOM 0 HB VAL A 36 4.896 13.347 3.112 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.047 13.447 0.929 1.00 0.75 H new ATOM 0 HG12 VAL A 36 4.388 14.084 0.828 1.00 0.75 H new ATOM 0 HG13 VAL A 36 5.770 15.204 0.871 1.00 0.75 H new ATOM 0 HG21 VAL A 36 7.350 13.655 3.016 1.00 0.76 H new ATOM 0 HG22 VAL A 36 7.124 15.421 3.023 1.00 0.76 H new ATOM 0 HG23 VAL A 36 6.642 14.457 4.439 1.00 0.76 H new ATOM 493 N GLY A 37 2.156 16.105 2.808 1.00 0.71 N ATOM 494 CA GLY A 37 0.708 15.995 2.687 1.00 0.76 C ATOM 495 C GLY A 37 -0.095 16.422 3.902 1.00 0.72 C ATOM 496 O GLY A 37 -0.288 15.645 4.833 1.00 0.81 O ATOM 0 H GLY A 37 2.528 17.028 2.584 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.388 16.595 1.835 1.00 0.76 H new ATOM 0 HA3 GLY A 37 0.460 14.959 2.458 1.00 0.76 H new ATOM 500 N THR A 38 -0.607 17.649 3.868 1.00 0.68 N ATOM 501 CA THR A 38 -1.448 18.164 4.947 1.00 0.68 C ATOM 502 C THR A 38 -1.840 19.618 4.691 1.00 0.72 C ATOM 503 O THR A 38 -1.292 20.268 3.800 1.00 0.77 O ATOM 504 CB THR A 38 -0.753 18.026 6.299 1.00 0.72 C ATOM 505 OG1 THR A 38 -1.386 18.836 7.274 1.00 0.77 O ATOM 506 CG2 THR A 38 0.704 18.403 6.265 1.00 0.76 C ATOM 0 H THR A 38 -0.454 18.307 3.104 1.00 0.68 H new ATOM 0 HA THR A 38 -2.358 17.565 4.971 1.00 0.68 H new ATOM 0 HB THR A 38 -0.829 16.969 6.554 1.00 0.72 H new ATOM 0 HG1 THR A 38 -1.018 18.631 8.159 1.00 0.77 H new ATOM 0 HG21 THR A 38 1.135 18.281 7.259 1.00 0.76 H new ATOM 0 HG22 THR A 38 1.230 17.759 5.560 1.00 0.76 H new ATOM 0 HG23 THR A 38 0.804 19.442 5.951 1.00 0.76 H new ATOM 514 N ALA A 39 -2.767 20.139 5.498 1.00 0.77 N ATOM 515 CA ALA A 39 -3.199 21.533 5.378 1.00 0.86 C ATOM 516 C ALA A 39 -2.010 22.482 5.560 1.00 0.82 C ATOM 517 O ALA A 39 -2.053 23.646 5.164 1.00 0.86 O ATOM 518 CB ALA A 39 -4.256 21.840 6.430 1.00 1.02 C ATOM 0 H ALA A 39 -3.232 19.617 6.241 1.00 0.77 H new ATOM 0 HA ALA A 39 -3.619 21.679 4.383 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -4.573 22.879 6.335 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -5.114 21.184 6.286 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -3.838 21.677 7.424 1.00 1.02 H new ATOM 524 N GLU A 40 -0.922 21.918 6.071 1.00 0.78 N ATOM 525 CA GLU A 40 0.330 22.638 6.251 1.00 0.79 C ATOM 526 C GLU A 40 0.988 22.854 4.892 1.00 0.74 C ATOM 527 O GLU A 40 1.933 23.629 4.756 1.00 0.79 O ATOM 528 CB GLU A 40 1.267 21.859 7.170 1.00 0.82 C ATOM 529 CG GLU A 40 2.241 22.741 7.931 1.00 1.25 C ATOM 530 CD GLU A 40 3.672 22.560 7.468 1.00 1.55 C ATOM 531 OE1 GLU A 40 3.931 22.741 6.261 1.00 1.91 O ATOM 532 OE2 GLU A 40 4.529 22.233 8.309 1.00 2.32 O ATOM 0 H GLU A 40 -0.885 20.944 6.373 1.00 0.78 H new ATOM 0 HA GLU A 40 0.123 23.604 6.712 1.00 0.79 H new ATOM 0 HB2 GLU A 40 0.672 21.289 7.883 1.00 0.82 H new ATOM 0 HB3 GLU A 40 1.829 21.139 6.576 1.00 0.82 H new ATOM 0 HG2 GLU A 40 1.952 23.785 7.809 1.00 1.25 H new ATOM 0 HG3 GLU A 40 2.176 22.515 8.995 1.00 1.25 H new ATOM 539 N ALA A 41 0.473 22.139 3.895 1.00 0.70 N ATOM 540 CA ALA A 41 0.977 22.206 2.548 1.00 0.71 C ATOM 541 C ALA A 41 0.041 22.982 1.637 1.00 0.78 C ATOM 542 O ALA A 41 0.478 23.475 0.600 1.00 0.87 O ATOM 543 CB ALA A 41 1.181 20.801 1.994 1.00 0.77 C ATOM 0 H ALA A 41 -0.310 21.496 4.011 1.00 0.70 H new ATOM 0 HA ALA A 41 1.932 22.731 2.580 1.00 0.71 H new ATOM 0 HB1 ALA A 41 1.562 20.864 0.975 1.00 0.77 H new ATOM 0 HB2 ALA A 41 1.897 20.265 2.617 1.00 0.77 H new ATOM 0 HB3 ALA A 41 0.230 20.268 1.993 1.00 0.77 H new ATOM 549 N LEU A 42 -1.253 23.098 1.983 1.00 0.81 N ATOM 550 CA LEU A 42 -2.212 23.806 1.138 1.00 0.94 C ATOM 551 C LEU A 42 -1.678 25.124 0.602 1.00 1.05 C ATOM 552 O LEU A 42 -1.923 25.467 -0.550 1.00 1.23 O ATOM 553 CB LEU A 42 -3.504 24.051 1.931 1.00 0.98 C ATOM 554 CG LEU A 42 -4.542 22.922 1.868 1.00 1.02 C ATOM 555 CD1 LEU A 42 -5.350 22.864 3.158 1.00 1.11 C ATOM 556 CD2 LEU A 42 -5.464 23.110 0.672 1.00 1.16 C ATOM 0 H LEU A 42 -1.651 22.711 2.839 1.00 0.81 H new ATOM 0 HA LEU A 42 -2.406 23.173 0.272 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -3.242 24.222 2.975 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -3.967 24.967 1.564 1.00 0.98 H new ATOM 0 HG LEU A 42 -4.012 21.977 1.751 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -6.080 22.057 3.094 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -4.681 22.681 3.999 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -5.868 23.812 3.306 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -6.193 22.300 0.644 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -5.984 24.064 0.760 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -4.876 23.101 -0.246 1.00 1.16 H new ATOM 568 N ARG A 43 -0.945 25.862 1.423 1.00 1.04 N ATOM 569 CA ARG A 43 -0.386 27.127 0.974 1.00 1.23 C ATOM 570 C ARG A 43 0.508 26.894 -0.243 1.00 1.24 C ATOM 571 O ARG A 43 0.738 27.799 -1.053 1.00 1.46 O ATOM 572 CB ARG A 43 0.416 27.795 2.093 1.00 1.32 C ATOM 573 CG ARG A 43 -0.343 27.917 3.405 1.00 1.34 C ATOM 574 CD ARG A 43 -1.369 29.036 3.355 1.00 1.50 C ATOM 575 NE ARG A 43 -2.640 28.590 2.788 1.00 1.88 N ATOM 576 CZ ARG A 43 -3.266 29.197 1.779 1.00 2.20 C ATOM 577 NH1 ARG A 43 -2.747 30.280 1.214 1.00 2.39 N ATOM 578 NH2 ARG A 43 -4.419 28.717 1.334 1.00 2.92 N ATOM 0 H ARG A 43 -0.726 25.612 2.387 1.00 1.04 H new ATOM 0 HA ARG A 43 -1.206 27.790 0.698 1.00 1.23 H new ATOM 0 HB2 ARG A 43 1.328 27.224 2.264 1.00 1.32 H new ATOM 0 HB3 ARG A 43 0.719 28.790 1.766 1.00 1.32 H new ATOM 0 HG2 ARG A 43 -0.843 26.974 3.626 1.00 1.34 H new ATOM 0 HG3 ARG A 43 0.360 28.103 4.217 1.00 1.34 H new ATOM 0 HD2 ARG A 43 -1.536 29.420 4.361 1.00 1.50 H new ATOM 0 HD3 ARG A 43 -0.977 29.861 2.760 1.00 1.50 H new ATOM 0 HE ARG A 43 -3.077 27.761 3.190 1.00 1.88 H new ATOM 0 HH11 ARG A 43 -1.861 30.656 1.551 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -3.234 30.736 0.443 1.00 2.39 H new ATOM 0 HH21 ARG A 43 -4.825 27.886 1.763 1.00 2.92 H new ATOM 0 HH22 ARG A 43 -4.900 29.179 0.562 1.00 2.92 H new ATOM 592 N CYS A 44 0.936 25.643 -0.419 1.00 1.08 N ATOM 593 CA CYS A 44 1.747 25.293 -1.581 1.00 1.15 C ATOM 594 C CYS A 44 0.898 25.476 -2.839 1.00 1.41 C ATOM 595 O CYS A 44 1.344 26.003 -3.849 1.00 1.57 O ATOM 596 CB CYS A 44 2.231 23.844 -1.464 1.00 1.04 C ATOM 597 SG CYS A 44 3.386 23.559 -0.086 1.00 1.28 S ATOM 0 H CYS A 44 0.738 24.870 0.216 1.00 1.08 H new ATOM 0 HA CYS A 44 2.623 25.939 -1.636 1.00 1.15 H new ATOM 0 HB2 CYS A 44 1.366 23.192 -1.341 1.00 1.04 H new ATOM 0 HB3 CYS A 44 2.716 23.557 -2.397 1.00 1.04 H new ATOM 602 N GLN A 45 -0.315 24.968 -2.739 1.00 1.55 N ATOM 603 CA GLN A 45 -1.288 24.997 -3.831 1.00 1.86 C ATOM 604 C GLN A 45 -1.099 26.209 -4.780 1.00 2.09 C ATOM 605 O GLN A 45 -1.260 26.067 -5.996 1.00 2.35 O ATOM 606 CB GLN A 45 -2.714 25.018 -3.274 1.00 1.97 C ATOM 607 CG GLN A 45 -3.202 23.671 -2.762 1.00 2.40 C ATOM 608 CD GLN A 45 -3.397 22.656 -3.872 1.00 2.73 C ATOM 609 OE1 GLN A 45 -4.233 22.839 -4.759 1.00 3.31 O ATOM 610 NE2 GLN A 45 -2.629 21.573 -3.825 1.00 3.02 N ATOM 0 H GLN A 45 -0.663 24.518 -1.892 1.00 1.55 H new ATOM 0 HA GLN A 45 -1.119 24.091 -4.413 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -2.764 25.743 -2.462 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -3.392 25.365 -4.054 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -2.485 23.280 -2.040 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -4.144 23.809 -2.232 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -1.949 21.462 -3.072 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -2.719 20.853 -4.541 1.00 3.02 H new ATOM 619 N GLU A 46 -0.746 27.396 -4.254 1.00 2.07 N ATOM 620 CA GLU A 46 -0.580 28.566 -5.140 1.00 2.35 C ATOM 621 C GLU A 46 0.835 28.645 -5.703 1.00 2.34 C ATOM 622 O GLU A 46 1.145 29.489 -6.552 1.00 2.50 O ATOM 623 CB GLU A 46 -0.894 29.873 -4.393 1.00 2.41 C ATOM 624 CG GLU A 46 -1.997 29.756 -3.352 1.00 2.80 C ATOM 625 CD GLU A 46 -3.381 29.685 -3.967 1.00 3.19 C ATOM 626 OE1 GLU A 46 -3.864 30.725 -4.462 1.00 3.53 O ATOM 627 OE2 GLU A 46 -3.982 28.591 -3.950 1.00 3.69 O ATOM 0 H GLU A 46 -0.576 27.570 -3.263 1.00 2.07 H new ATOM 0 HA GLU A 46 -1.283 28.440 -5.964 1.00 2.35 H new ATOM 0 HB2 GLU A 46 0.014 30.224 -3.903 1.00 2.41 H new ATOM 0 HB3 GLU A 46 -1.178 30.633 -5.121 1.00 2.41 H new ATOM 0 HG2 GLU A 46 -1.827 28.865 -2.748 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -1.947 30.612 -2.679 1.00 2.80 H new ATOM 634 N GLU A 47 1.670 27.722 -5.268 1.00 2.22 N ATOM 635 CA GLU A 47 3.034 27.636 -5.732 1.00 2.31 C ATOM 636 C GLU A 47 3.072 26.917 -7.076 1.00 2.34 C ATOM 637 O GLU A 47 4.138 26.754 -7.673 1.00 2.42 O ATOM 638 CB GLU A 47 3.868 26.870 -4.703 1.00 2.37 C ATOM 639 CG GLU A 47 5.352 27.195 -4.726 1.00 2.96 C ATOM 640 CD GLU A 47 6.214 25.956 -4.583 1.00 3.45 C ATOM 641 OE1 GLU A 47 6.256 25.387 -3.471 1.00 3.68 O ATOM 642 OE2 GLU A 47 6.844 25.551 -5.582 1.00 3.99 O ATOM 0 H GLU A 47 1.418 27.011 -4.582 1.00 2.22 H new ATOM 0 HA GLU A 47 3.446 28.638 -5.855 1.00 2.31 H new ATOM 0 HB2 GLU A 47 3.478 27.082 -3.708 1.00 2.37 H new ATOM 0 HB3 GLU A 47 3.740 25.801 -4.874 1.00 2.37 H new ATOM 0 HG2 GLU A 47 5.597 27.699 -5.661 1.00 2.96 H new ATOM 0 HG3 GLU A 47 5.582 27.890 -3.919 1.00 2.96 H new ATOM 649 N ASN A 48 1.895 26.507 -7.562 1.00 2.53 N ATOM 650 CA ASN A 48 1.815 25.848 -8.851 1.00 2.96 C ATOM 651 C ASN A 48 2.242 26.814 -9.947 1.00 3.29 C ATOM 652 O ASN A 48 2.742 26.397 -10.991 1.00 3.76 O ATOM 653 CB ASN A 48 0.400 25.323 -9.114 1.00 3.12 C ATOM 654 CG ASN A 48 0.380 23.834 -9.416 1.00 3.42 C ATOM 655 OD1 ASN A 48 1.051 23.362 -10.336 1.00 3.86 O ATOM 656 ND2 ASN A 48 -0.392 23.084 -8.639 1.00 3.75 N ATOM 0 H ASN A 48 1.002 26.622 -7.083 1.00 2.53 H new ATOM 0 HA ASN A 48 2.489 24.992 -8.848 1.00 2.96 H new ATOM 0 HB2 ASN A 48 -0.226 25.523 -8.244 1.00 3.12 H new ATOM 0 HB3 ASN A 48 -0.036 25.867 -9.952 1.00 3.12 H new ATOM 0 HD21 ASN A 48 -0.446 22.077 -8.793 1.00 3.75 H new ATOM 0 HD22 ASN A 48 -0.932 23.515 -7.888 1.00 3.75 H new ATOM 663 N TYR A 49 2.040 28.110 -9.703 1.00 3.15 N ATOM 664 CA TYR A 49 2.407 29.142 -10.681 1.00 3.51 C ATOM 665 C TYR A 49 3.557 30.007 -10.163 1.00 3.62 C ATOM 666 O TYR A 49 3.502 31.233 -10.237 1.00 4.04 O ATOM 667 CB TYR A 49 1.187 30.013 -10.996 1.00 3.61 C ATOM 668 CG TYR A 49 1.182 30.563 -12.405 1.00 3.97 C ATOM 669 CD1 TYR A 49 1.021 29.722 -13.502 1.00 4.19 C ATOM 670 CD2 TYR A 49 1.348 31.922 -12.641 1.00 4.52 C ATOM 671 CE1 TYR A 49 1.025 30.223 -14.791 1.00 4.70 C ATOM 672 CE2 TYR A 49 1.351 32.430 -13.926 1.00 5.05 C ATOM 673 CZ TYR A 49 1.189 31.576 -14.998 1.00 5.03 C ATOM 674 OH TYR A 49 1.192 32.079 -16.279 1.00 5.68 O ATOM 0 H TYR A 49 1.627 28.471 -8.843 1.00 3.15 H new ATOM 0 HA TYR A 49 2.743 28.649 -11.593 1.00 3.51 H new ATOM 0 HB2 TYR A 49 0.282 29.425 -10.841 1.00 3.61 H new ATOM 0 HB3 TYR A 49 1.152 30.843 -10.291 1.00 3.61 H new ATOM 0 HD1 TYR A 49 0.891 28.662 -13.344 1.00 4.19 H new ATOM 0 HD2 TYR A 49 1.477 32.593 -11.805 1.00 4.52 H new ATOM 0 HE1 TYR A 49 0.900 29.557 -15.632 1.00 4.70 H new ATOM 0 HE2 TYR A 49 1.479 33.490 -14.091 1.00 5.05 H new ATOM 0 HH TYR A 49 1.317 33.050 -16.249 1.00 5.68 H new ATOM 684 N LEU A 50 4.605 29.356 -9.655 1.00 3.50 N ATOM 685 CA LEU A 50 5.775 30.065 -9.137 1.00 3.67 C ATOM 686 C LEU A 50 7.066 29.296 -9.442 1.00 3.63 C ATOM 687 O LEU A 50 7.509 28.479 -8.635 1.00 3.79 O ATOM 688 CB LEU A 50 5.640 30.265 -7.622 1.00 4.02 C ATOM 689 CG LEU A 50 4.971 31.574 -7.194 1.00 4.66 C ATOM 690 CD1 LEU A 50 4.381 31.441 -5.798 1.00 4.84 C ATOM 691 CD2 LEU A 50 5.967 32.723 -7.248 1.00 5.40 C ATOM 0 H LEU A 50 4.667 28.340 -9.592 1.00 3.50 H new ATOM 0 HA LEU A 50 5.827 31.036 -9.630 1.00 3.67 H new ATOM 0 HB2 LEU A 50 5.069 29.432 -7.211 1.00 4.02 H new ATOM 0 HB3 LEU A 50 6.634 30.221 -7.176 1.00 4.02 H new ATOM 0 HG LEU A 50 4.159 31.790 -7.889 1.00 4.66 H new ATOM 0 HD11 LEU A 50 3.910 32.381 -5.511 1.00 4.84 H new ATOM 0 HD12 LEU A 50 3.636 30.645 -5.792 1.00 4.84 H new ATOM 0 HD13 LEU A 50 5.174 31.201 -5.089 1.00 4.84 H new ATOM 0 HD21 LEU A 50 5.475 33.646 -6.941 1.00 5.40 H new ATOM 0 HD22 LEU A 50 6.800 32.515 -6.576 1.00 5.40 H new ATOM 0 HD23 LEU A 50 6.341 32.833 -8.266 1.00 5.40 H new ATOM 703 N PRO A 51 7.685 29.534 -10.617 1.00 3.88 N ATOM 704 CA PRO A 51 8.915 28.850 -11.013 1.00 4.25 C ATOM 705 C PRO A 51 10.181 29.599 -10.595 1.00 4.32 C ATOM 706 O PRO A 51 11.201 29.538 -11.281 1.00 4.70 O ATOM 707 CB PRO A 51 8.789 28.828 -12.532 1.00 4.88 C ATOM 708 CG PRO A 51 8.075 30.098 -12.870 1.00 4.92 C ATOM 709 CD PRO A 51 7.237 30.472 -11.663 1.00 4.30 C ATOM 0 HA PRO A 51 9.015 27.871 -10.544 1.00 4.25 H new ATOM 0 HB2 PRO A 51 9.767 28.784 -13.010 1.00 4.88 H new ATOM 0 HB3 PRO A 51 8.229 27.956 -12.871 1.00 4.88 H new ATOM 0 HG2 PRO A 51 8.787 30.889 -13.105 1.00 4.92 H new ATOM 0 HG3 PRO A 51 7.445 29.964 -13.750 1.00 4.92 H new ATOM 0 HD2 PRO A 51 7.402 31.508 -11.368 1.00 4.30 H new ATOM 0 HD3 PRO A 51 6.172 30.364 -11.867 1.00 4.30 H new ATOM 717 N SER A 52 10.113 30.305 -9.471 1.00 4.18 N ATOM 718 CA SER A 52 11.259 31.063 -8.973 1.00 4.35 C ATOM 719 C SER A 52 12.088 30.225 -7.995 1.00 3.79 C ATOM 720 O SER A 52 11.585 29.807 -6.953 1.00 3.48 O ATOM 721 CB SER A 52 10.779 32.344 -8.284 1.00 4.83 C ATOM 722 OG SER A 52 11.193 33.492 -8.999 1.00 5.64 O ATOM 0 H SER A 52 9.279 30.369 -8.888 1.00 4.18 H new ATOM 0 HA SER A 52 11.891 31.324 -9.822 1.00 4.35 H new ATOM 0 HB2 SER A 52 9.692 32.333 -8.205 1.00 4.83 H new ATOM 0 HB3 SER A 52 11.172 32.383 -7.268 1.00 4.83 H new ATOM 0 HG SER A 52 10.873 34.296 -8.540 1.00 5.64 H new ATOM 728 N PRO A 53 13.372 29.962 -8.312 1.00 3.98 N ATOM 729 CA PRO A 53 14.245 29.165 -7.445 1.00 3.75 C ATOM 730 C PRO A 53 14.822 29.965 -6.279 1.00 2.89 C ATOM 731 O PRO A 53 15.580 30.917 -6.478 1.00 2.99 O ATOM 732 CB PRO A 53 15.357 28.728 -8.393 1.00 4.57 C ATOM 733 CG PRO A 53 15.468 29.842 -9.375 1.00 5.04 C ATOM 734 CD PRO A 53 14.075 30.405 -9.535 1.00 4.80 C ATOM 0 HA PRO A 53 13.707 28.343 -6.972 1.00 3.75 H new ATOM 0 HB2 PRO A 53 16.295 28.574 -7.860 1.00 4.57 H new ATOM 0 HB3 PRO A 53 15.112 27.787 -8.886 1.00 4.57 H new ATOM 0 HG2 PRO A 53 16.158 30.607 -9.019 1.00 5.04 H new ATOM 0 HG3 PRO A 53 15.854 29.483 -10.329 1.00 5.04 H new ATOM 0 HD2 PRO A 53 14.090 31.492 -9.616 1.00 4.80 H new ATOM 0 HD3 PRO A 53 13.591 30.025 -10.435 1.00 4.80 H new ATOM 742 N CYS A 54 14.461 29.558 -5.062 1.00 2.53 N ATOM 743 CA CYS A 54 14.941 30.212 -3.848 1.00 2.00 C ATOM 744 C CYS A 54 16.304 29.630 -3.403 1.00 2.22 C ATOM 745 O CYS A 54 16.612 28.479 -3.708 1.00 2.72 O ATOM 746 CB CYS A 54 13.912 30.056 -2.727 1.00 2.36 C ATOM 747 SG CYS A 54 13.599 28.325 -2.263 1.00 2.74 S ATOM 0 H CYS A 54 13.833 28.772 -4.892 1.00 2.53 H new ATOM 0 HA CYS A 54 15.079 31.271 -4.064 1.00 2.00 H new ATOM 0 HB2 CYS A 54 14.257 30.602 -1.849 1.00 2.36 H new ATOM 0 HB3 CYS A 54 12.974 30.515 -3.039 1.00 2.36 H new ATOM 752 N GLN A 55 17.115 30.432 -2.687 1.00 2.24 N ATOM 753 CA GLN A 55 18.443 30.006 -2.193 1.00 2.74 C ATOM 754 C GLN A 55 18.713 28.494 -2.292 1.00 2.26 C ATOM 755 O GLN A 55 19.395 28.047 -3.209 1.00 2.47 O ATOM 756 CB GLN A 55 18.615 30.462 -0.747 1.00 3.51 C ATOM 757 CG GLN A 55 19.926 30.053 -0.110 1.00 4.44 C ATOM 758 CD GLN A 55 19.740 29.378 1.240 1.00 5.23 C ATOM 759 OE1 GLN A 55 18.620 29.058 1.641 1.00 5.71 O ATOM 760 NE2 GLN A 55 20.840 29.163 1.953 1.00 5.75 N ATOM 0 H GLN A 55 16.872 31.390 -2.434 1.00 2.24 H new ATOM 0 HA GLN A 55 19.172 30.479 -2.850 1.00 2.74 H new ATOM 0 HB2 GLN A 55 18.531 31.548 -0.710 1.00 3.51 H new ATOM 0 HB3 GLN A 55 17.795 30.058 -0.152 1.00 3.51 H new ATOM 0 HG2 GLN A 55 20.454 29.375 -0.780 1.00 4.44 H new ATOM 0 HG3 GLN A 55 20.555 30.934 0.013 1.00 4.44 H new ATOM 0 HE21 GLN A 55 21.749 29.443 1.585 1.00 5.75 H new ATOM 0 HE22 GLN A 55 20.775 28.718 2.868 1.00 5.75 H new ATOM 769 N SER A 56 18.200 27.734 -1.315 1.00 2.28 N ATOM 770 CA SER A 56 18.388 26.262 -1.231 1.00 2.07 C ATOM 771 C SER A 56 19.697 25.905 -0.486 1.00 1.82 C ATOM 772 O SER A 56 19.743 25.977 0.742 1.00 2.22 O ATOM 773 CB SER A 56 18.334 25.597 -2.619 1.00 2.60 C ATOM 774 OG SER A 56 17.125 24.879 -2.789 1.00 3.12 O ATOM 0 H SER A 56 17.639 28.115 -0.553 1.00 2.28 H new ATOM 0 HA SER A 56 17.556 25.863 -0.651 1.00 2.07 H new ATOM 0 HB2 SER A 56 18.422 26.358 -3.395 1.00 2.60 H new ATOM 0 HB3 SER A 56 19.182 24.922 -2.737 1.00 2.60 H new ATOM 0 HG SER A 56 17.112 24.467 -3.678 1.00 3.12 H new ATOM 780 N GLY A 57 20.761 25.537 -1.220 1.00 1.58 N ATOM 781 CA GLY A 57 22.026 25.229 -0.578 1.00 1.86 C ATOM 782 C GLY A 57 22.408 23.789 -0.718 1.00 1.68 C ATOM 783 O GLY A 57 23.391 23.464 -1.379 1.00 2.10 O ATOM 0 H GLY A 57 20.761 25.450 -2.236 1.00 1.58 H new ATOM 0 HA2 GLY A 57 22.809 25.852 -1.010 1.00 1.86 H new ATOM 0 HA3 GLY A 57 21.963 25.483 0.480 1.00 1.86 H new ATOM 787 N GLN A 58 21.614 22.907 -0.144 1.00 1.37 N ATOM 788 CA GLN A 58 21.870 21.517 -0.274 1.00 1.46 C ATOM 789 C GLN A 58 20.722 20.987 -1.054 1.00 1.08 C ATOM 790 O GLN A 58 19.571 21.181 -0.685 1.00 1.00 O ATOM 791 CB GLN A 58 21.982 20.811 1.083 1.00 1.97 C ATOM 792 CG GLN A 58 23.315 21.038 1.782 1.00 2.80 C ATOM 793 CD GLN A 58 23.718 19.875 2.670 1.00 3.61 C ATOM 794 OE1 GLN A 58 23.604 19.945 3.893 1.00 3.96 O ATOM 795 NE2 GLN A 58 24.191 18.796 2.056 1.00 4.36 N ATOM 0 H GLN A 58 20.792 23.144 0.412 1.00 1.37 H new ATOM 0 HA GLN A 58 22.827 21.341 -0.765 1.00 1.46 H new ATOM 0 HB2 GLN A 58 21.178 21.159 1.731 1.00 1.97 H new ATOM 0 HB3 GLN A 58 21.835 19.741 0.939 1.00 1.97 H new ATOM 0 HG2 GLN A 58 24.090 21.203 1.033 1.00 2.80 H new ATOM 0 HG3 GLN A 58 23.255 21.945 2.384 1.00 2.80 H new ATOM 0 HE21 GLN A 58 24.269 18.781 1.039 1.00 4.36 H new ATOM 0 HE22 GLN A 58 24.476 17.983 2.602 1.00 4.36 H new ATOM 804 N LYS A 59 20.997 20.291 -2.098 1.00 1.17 N ATOM 805 CA LYS A 59 19.923 19.828 -2.931 1.00 1.13 C ATOM 806 C LYS A 59 20.031 18.318 -2.927 1.00 0.95 C ATOM 807 O LYS A 59 19.535 17.785 -1.952 1.00 0.88 O ATOM 808 CB LYS A 59 20.082 20.393 -4.380 1.00 1.54 C ATOM 809 CG LYS A 59 19.109 21.503 -4.769 1.00 1.90 C ATOM 810 CD LYS A 59 19.346 22.009 -6.197 1.00 2.17 C ATOM 811 CE LYS A 59 20.464 23.041 -6.253 1.00 2.82 C ATOM 812 NZ LYS A 59 21.812 22.408 -6.254 1.00 3.55 N ATOM 0 H LYS A 59 21.935 20.028 -2.400 1.00 1.17 H new ATOM 0 HA LYS A 59 18.950 20.159 -2.568 1.00 1.13 H new ATOM 0 HB2 LYS A 59 21.098 20.770 -4.494 1.00 1.54 H new ATOM 0 HB3 LYS A 59 19.966 19.570 -5.086 1.00 1.54 H new ATOM 0 HG2 LYS A 59 18.087 21.135 -4.681 1.00 1.90 H new ATOM 0 HG3 LYS A 59 19.210 22.333 -4.070 1.00 1.90 H new ATOM 0 HD2 LYS A 59 19.595 21.168 -6.844 1.00 2.17 H new ATOM 0 HD3 LYS A 59 18.427 22.448 -6.584 1.00 2.17 H new ATOM 0 HE2 LYS A 59 20.350 23.650 -7.150 1.00 2.82 H new ATOM 0 HE3 LYS A 59 20.380 23.712 -5.398 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 22.434 22.917 -6.914 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 22.215 22.449 -5.296 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 21.729 21.415 -6.553 1.00 3.55 H new ATOM 826 N PRO A 60 20.557 17.536 -3.848 1.00 1.06 N ATOM 827 CA PRO A 60 20.514 16.087 -3.621 1.00 1.15 C ATOM 828 C PRO A 60 21.445 15.562 -2.525 1.00 1.10 C ATOM 829 O PRO A 60 22.613 15.943 -2.429 1.00 1.23 O ATOM 830 CB PRO A 60 20.898 15.502 -4.966 1.00 1.48 C ATOM 831 CG PRO A 60 21.720 16.568 -5.610 1.00 1.54 C ATOM 832 CD PRO A 60 21.156 17.886 -5.136 1.00 1.30 C ATOM 0 HA PRO A 60 19.526 15.800 -3.260 1.00 1.15 H new ATOM 0 HB2 PRO A 60 21.464 14.578 -4.851 1.00 1.48 H new ATOM 0 HB3 PRO A 60 20.017 15.264 -5.562 1.00 1.48 H new ATOM 0 HG2 PRO A 60 22.769 16.472 -5.330 1.00 1.54 H new ATOM 0 HG3 PRO A 60 21.671 16.493 -6.696 1.00 1.54 H new ATOM 0 HD2 PRO A 60 21.933 18.643 -5.029 1.00 1.30 H new ATOM 0 HD3 PRO A 60 20.417 18.284 -5.831 1.00 1.30 H new ATOM 840 N CYS A 61 20.901 14.626 -1.738 1.00 1.08 N ATOM 841 CA CYS A 61 21.645 13.955 -0.674 1.00 1.13 C ATOM 842 C CYS A 61 21.230 12.493 -0.578 1.00 1.36 C ATOM 843 O CYS A 61 20.076 12.150 -0.840 1.00 1.54 O ATOM 844 CB CYS A 61 21.458 14.628 0.702 1.00 1.30 C ATOM 845 SG CYS A 61 19.723 14.835 1.290 1.00 1.59 S ATOM 0 H CYS A 61 19.933 14.315 -1.824 1.00 1.08 H new ATOM 0 HA CYS A 61 22.700 14.031 -0.939 1.00 1.13 H new ATOM 0 HB2 CYS A 61 22.002 14.043 1.444 1.00 1.30 H new ATOM 0 HB3 CYS A 61 21.925 15.612 0.666 1.00 1.30 H new ATOM 850 N GLY A 62 22.175 11.629 -0.234 1.00 1.60 N ATOM 851 CA GLY A 62 21.840 10.222 -0.123 1.00 1.92 C ATOM 852 C GLY A 62 21.545 9.577 -1.463 1.00 2.10 C ATOM 853 O GLY A 62 21.907 10.114 -2.515 1.00 2.43 O ATOM 0 H GLY A 62 23.146 11.868 -0.034 1.00 1.60 H new ATOM 0 HA2 GLY A 62 22.665 9.694 0.355 1.00 1.92 H new ATOM 0 HA3 GLY A 62 20.972 10.111 0.527 1.00 1.92 H new ATOM 857 N SER A 63 20.916 8.395 -1.418 1.00 2.43 N ATOM 858 CA SER A 63 20.601 7.664 -2.625 1.00 2.98 C ATOM 859 C SER A 63 19.377 8.242 -3.386 1.00 2.74 C ATOM 860 O SER A 63 18.504 7.486 -3.814 1.00 3.32 O ATOM 861 CB SER A 63 20.354 6.199 -2.259 1.00 3.86 C ATOM 862 OG SER A 63 21.293 5.751 -1.294 1.00 4.11 O ATOM 0 H SER A 63 20.621 7.936 -0.556 1.00 2.43 H new ATOM 0 HA SER A 63 21.450 7.756 -3.302 1.00 2.98 H new ATOM 0 HB2 SER A 63 19.343 6.083 -1.869 1.00 3.86 H new ATOM 0 HB3 SER A 63 20.423 5.580 -3.154 1.00 3.86 H new ATOM 0 HG SER A 63 21.114 4.813 -1.075 1.00 4.11 H new ATOM 868 N GLY A 64 19.370 9.546 -3.617 1.00 2.15 N ATOM 869 CA GLY A 64 18.314 10.186 -4.424 1.00 2.11 C ATOM 870 C GLY A 64 17.349 11.073 -3.653 1.00 1.92 C ATOM 871 O GLY A 64 16.131 10.908 -3.787 1.00 2.21 O ATOM 0 H GLY A 64 20.077 10.190 -3.263 1.00 2.15 H new ATOM 0 HA2 GLY A 64 18.788 10.784 -5.202 1.00 2.11 H new ATOM 0 HA3 GLY A 64 17.741 9.406 -4.926 1.00 2.11 H new ATOM 875 N GLY A 65 17.849 11.990 -2.835 1.00 1.62 N ATOM 876 CA GLY A 65 16.932 12.852 -2.066 1.00 1.62 C ATOM 877 C GLY A 65 17.508 14.210 -1.717 1.00 1.43 C ATOM 878 O GLY A 65 18.568 14.273 -1.112 1.00 1.62 O ATOM 0 H GLY A 65 18.843 12.161 -2.683 1.00 1.62 H new ATOM 0 HA2 GLY A 65 16.016 12.994 -2.640 1.00 1.62 H new ATOM 0 HA3 GLY A 65 16.654 12.339 -1.145 1.00 1.62 H new ATOM 882 N ARG A 66 16.875 15.312 -2.149 1.00 1.17 N ATOM 883 CA ARG A 66 17.432 16.660 -1.885 1.00 1.03 C ATOM 884 C ARG A 66 17.056 17.192 -0.508 1.00 0.94 C ATOM 885 O ARG A 66 16.030 16.807 0.046 1.00 1.04 O ATOM 886 CB ARG A 66 17.068 17.689 -2.978 1.00 1.10 C ATOM 887 CG ARG A 66 15.866 17.328 -3.827 1.00 1.26 C ATOM 888 CD ARG A 66 16.203 16.269 -4.865 1.00 1.41 C ATOM 889 NE ARG A 66 16.925 16.823 -6.007 1.00 1.78 N ATOM 890 CZ ARG A 66 16.606 16.585 -7.280 1.00 2.30 C ATOM 891 NH1 ARG A 66 15.575 15.807 -7.588 1.00 2.55 N ATOM 892 NH2 ARG A 66 17.328 17.127 -8.251 1.00 3.02 N ATOM 0 H ARG A 66 15.998 15.306 -2.670 1.00 1.17 H new ATOM 0 HA ARG A 66 18.514 16.526 -1.908 1.00 1.03 H new ATOM 0 HB2 ARG A 66 16.881 18.651 -2.501 1.00 1.10 H new ATOM 0 HB3 ARG A 66 17.929 17.820 -3.633 1.00 1.10 H new ATOM 0 HG2 ARG A 66 15.064 16.965 -3.185 1.00 1.26 H new ATOM 0 HG3 ARG A 66 15.493 18.222 -4.328 1.00 1.26 H new ATOM 0 HD2 ARG A 66 16.805 15.488 -4.401 1.00 1.41 H new ATOM 0 HD3 ARG A 66 15.283 15.799 -5.213 1.00 1.41 H new ATOM 0 HE ARG A 66 17.723 17.430 -5.819 1.00 1.78 H new ATOM 0 HH11 ARG A 66 15.016 15.383 -6.847 1.00 2.55 H new ATOM 0 HH12 ARG A 66 15.342 15.633 -8.566 1.00 2.55 H new ATOM 0 HH21 ARG A 66 18.124 17.723 -8.023 1.00 3.02 H new ATOM 0 HH22 ARG A 66 17.088 16.948 -9.226 1.00 3.02 H new ATOM 906 N CYS A 67 17.894 18.079 0.079 1.00 0.87 N ATOM 907 CA CYS A 67 17.594 18.593 1.362 1.00 0.87 C ATOM 908 C CYS A 67 16.343 19.409 1.231 1.00 0.88 C ATOM 909 O CYS A 67 16.363 20.548 0.760 1.00 0.93 O ATOM 910 CB CYS A 67 18.791 19.442 1.832 1.00 0.93 C ATOM 911 SG CYS A 67 18.794 19.949 3.576 1.00 1.52 S ATOM 0 H CYS A 67 18.759 18.426 -0.336 1.00 0.87 H new ATOM 0 HA CYS A 67 17.428 17.809 2.101 1.00 0.87 H new ATOM 0 HB2 CYS A 67 19.704 18.879 1.639 1.00 0.93 H new ATOM 0 HB3 CYS A 67 18.834 20.340 1.216 1.00 0.93 H new ATOM 916 N ALA A 68 15.260 18.826 1.673 1.00 0.91 N ATOM 917 CA ALA A 68 14.000 19.489 1.610 1.00 0.98 C ATOM 918 C ALA A 68 13.900 20.450 2.749 1.00 0.98 C ATOM 919 O ALA A 68 13.309 21.523 2.609 1.00 1.07 O ATOM 920 CB ALA A 68 12.854 18.493 1.631 1.00 0.98 C ATOM 0 H ALA A 68 15.233 17.891 2.080 1.00 0.91 H new ATOM 0 HA ALA A 68 13.928 20.036 0.670 1.00 0.98 H new ATOM 0 HB1 ALA A 68 11.906 19.028 1.582 1.00 0.98 H new ATOM 0 HB2 ALA A 68 12.938 17.824 0.775 1.00 0.98 H new ATOM 0 HB3 ALA A 68 12.895 17.911 2.552 1.00 0.98 H new ATOM 926 N ALA A 69 14.458 20.073 3.904 1.00 0.92 N ATOM 927 CA ALA A 69 14.412 20.933 5.096 1.00 0.96 C ATOM 928 C ALA A 69 15.338 20.342 6.154 1.00 0.92 C ATOM 929 O ALA A 69 15.760 19.197 6.009 1.00 0.87 O ATOM 930 CB ALA A 69 13.020 21.077 5.633 1.00 1.00 C ATOM 0 H ALA A 69 14.943 19.186 4.041 1.00 0.92 H new ATOM 0 HA ALA A 69 14.744 21.934 4.820 1.00 0.96 H new ATOM 0 HB1 ALA A 69 13.034 21.720 6.513 1.00 1.00 H new ATOM 0 HB2 ALA A 69 12.380 21.520 4.870 1.00 1.00 H new ATOM 0 HB3 ALA A 69 12.632 20.096 5.907 1.00 1.00 H new ATOM 936 N ALA A 70 15.693 21.092 7.202 1.00 0.98 N ATOM 937 CA ALA A 70 16.588 20.530 8.211 1.00 1.00 C ATOM 938 C ALA A 70 16.225 19.079 8.503 1.00 1.04 C ATOM 939 O ALA A 70 15.379 18.768 9.341 1.00 1.24 O ATOM 940 CB ALA A 70 16.631 21.331 9.505 1.00 1.15 C ATOM 0 H ALA A 70 15.388 22.051 7.369 1.00 0.98 H new ATOM 0 HA ALA A 70 17.589 20.580 7.784 1.00 1.00 H new ATOM 0 HB1 ALA A 70 17.316 20.854 10.206 1.00 1.15 H new ATOM 0 HB2 ALA A 70 16.975 22.344 9.295 1.00 1.15 H new ATOM 0 HB3 ALA A 70 15.633 21.370 9.942 1.00 1.15 H new ATOM 946 N GLY A 71 16.944 18.216 7.821 1.00 1.15 N ATOM 947 CA GLY A 71 16.823 16.801 7.972 1.00 1.27 C ATOM 948 C GLY A 71 15.886 16.069 7.023 1.00 1.21 C ATOM 949 O GLY A 71 15.636 14.887 7.280 1.00 1.28 O ATOM 0 H GLY A 71 17.643 18.495 7.132 1.00 1.15 H new ATOM 0 HA2 GLY A 71 17.817 16.366 7.865 1.00 1.27 H new ATOM 0 HA3 GLY A 71 16.494 16.599 8.991 1.00 1.27 H new ATOM 953 N ILE A 72 15.345 16.645 5.915 1.00 1.12 N ATOM 954 CA ILE A 72 14.474 15.888 5.006 1.00 1.08 C ATOM 955 C ILE A 72 15.227 15.657 3.709 1.00 1.03 C ATOM 956 O ILE A 72 15.390 16.583 2.911 1.00 1.36 O ATOM 957 CB ILE A 72 13.216 16.714 4.644 1.00 1.52 C ATOM 958 CG1 ILE A 72 12.650 17.378 5.880 1.00 1.09 C ATOM 959 CG2 ILE A 72 12.164 15.834 3.984 1.00 2.27 C ATOM 960 CD1 ILE A 72 12.737 16.484 7.069 1.00 0.92 C ATOM 0 H ILE A 72 15.500 17.616 5.642 1.00 1.12 H new ATOM 0 HA ILE A 72 14.187 14.957 5.494 1.00 1.08 H new ATOM 0 HB ILE A 72 13.507 17.488 3.934 1.00 1.52 H new ATOM 0 HG12 ILE A 72 13.192 18.302 6.078 1.00 1.09 H new ATOM 0 HG13 ILE A 72 11.609 17.650 5.704 1.00 1.09 H new ATOM 0 HG21 ILE A 72 11.289 16.435 3.738 1.00 2.27 H new ATOM 0 HG22 ILE A 72 12.573 15.399 3.072 1.00 2.27 H new ATOM 0 HG23 ILE A 72 11.876 15.036 4.668 1.00 2.27 H new ATOM 0 HD11 ILE A 72 12.321 16.993 7.938 1.00 0.92 H new ATOM 0 HD12 ILE A 72 12.173 15.571 6.880 1.00 0.92 H new ATOM 0 HD13 ILE A 72 13.780 16.233 7.260 1.00 0.92 H new ATOM 972 N CYS A 73 15.712 14.459 3.502 1.00 0.82 N ATOM 973 CA CYS A 73 16.460 14.166 2.294 1.00 1.07 C ATOM 974 C CYS A 73 15.498 13.710 1.208 1.00 1.08 C ATOM 975 O CYS A 73 15.147 12.536 1.136 1.00 1.21 O ATOM 976 CB CYS A 73 17.515 13.100 2.613 1.00 1.19 C ATOM 977 SG CYS A 73 18.934 12.958 1.457 1.00 1.98 S ATOM 0 H CYS A 73 15.607 13.674 4.144 1.00 0.82 H new ATOM 0 HA CYS A 73 16.975 15.054 1.928 1.00 1.07 H new ATOM 0 HB2 CYS A 73 17.909 13.301 3.609 1.00 1.19 H new ATOM 0 HB3 CYS A 73 17.016 12.132 2.657 1.00 1.19 H new ATOM 982 N CYS A 74 15.027 14.660 0.390 1.00 0.98 N ATOM 983 CA CYS A 74 14.056 14.315 -0.645 1.00 0.99 C ATOM 984 C CYS A 74 13.884 15.352 -1.750 1.00 1.15 C ATOM 985 O CYS A 74 14.460 16.432 -1.709 1.00 1.33 O ATOM 986 CB CYS A 74 12.719 14.084 0.000 1.00 1.13 C ATOM 987 SG CYS A 74 11.979 15.541 0.809 1.00 1.32 S ATOM 0 H CYS A 74 15.295 15.644 0.424 1.00 0.98 H new ATOM 0 HA CYS A 74 14.452 13.422 -1.129 1.00 0.99 H new ATOM 0 HB2 CYS A 74 12.026 13.720 -0.759 1.00 1.13 H new ATOM 0 HB3 CYS A 74 12.824 13.292 0.742 1.00 1.13 H new ATOM 992 N SER A 75 13.044 14.975 -2.729 1.00 1.14 N ATOM 993 CA SER A 75 12.715 15.801 -3.902 1.00 1.36 C ATOM 994 C SER A 75 11.271 16.308 -3.811 1.00 1.28 C ATOM 995 O SER A 75 10.583 16.028 -2.830 1.00 1.10 O ATOM 996 CB SER A 75 12.919 14.976 -5.181 1.00 1.46 C ATOM 997 OG SER A 75 12.125 13.806 -5.171 1.00 1.99 O ATOM 0 H SER A 75 12.567 14.073 -2.727 1.00 1.14 H new ATOM 0 HA SER A 75 13.376 16.667 -3.928 1.00 1.36 H new ATOM 0 HB2 SER A 75 12.666 15.582 -6.051 1.00 1.46 H new ATOM 0 HB3 SER A 75 13.970 14.704 -5.277 1.00 1.46 H new ATOM 0 HG SER A 75 12.275 13.302 -5.998 1.00 1.99 H new ATOM 1003 N PRO A 76 10.779 17.069 -4.819 1.00 1.46 N ATOM 1004 CA PRO A 76 9.411 17.595 -4.796 1.00 1.42 C ATOM 1005 C PRO A 76 8.366 16.529 -5.125 1.00 1.18 C ATOM 1006 O PRO A 76 7.308 16.833 -5.674 1.00 1.22 O ATOM 1007 CB PRO A 76 9.432 18.669 -5.883 1.00 1.74 C ATOM 1008 CG PRO A 76 10.450 18.191 -6.854 1.00 1.86 C ATOM 1009 CD PRO A 76 11.501 17.485 -6.043 1.00 1.77 C ATOM 0 HA PRO A 76 9.135 17.965 -3.809 1.00 1.42 H new ATOM 0 HB2 PRO A 76 8.455 18.778 -6.353 1.00 1.74 H new ATOM 0 HB3 PRO A 76 9.699 19.643 -5.474 1.00 1.74 H new ATOM 0 HG2 PRO A 76 10.004 17.517 -7.586 1.00 1.86 H new ATOM 0 HG3 PRO A 76 10.881 19.024 -7.409 1.00 1.86 H new ATOM 0 HD2 PRO A 76 11.910 16.628 -6.577 1.00 1.77 H new ATOM 0 HD3 PRO A 76 12.337 18.144 -5.810 1.00 1.77 H new ATOM 1017 N ASP A 77 8.671 15.281 -4.770 1.00 0.99 N ATOM 1018 CA ASP A 77 7.768 14.159 -4.998 1.00 0.91 C ATOM 1019 C ASP A 77 7.808 13.211 -3.800 1.00 0.82 C ATOM 1020 O ASP A 77 6.767 12.853 -3.244 1.00 0.90 O ATOM 1021 CB ASP A 77 8.143 13.418 -6.283 1.00 1.16 C ATOM 1022 CG ASP A 77 6.952 12.727 -6.917 1.00 1.92 C ATOM 1023 OD1 ASP A 77 6.001 13.432 -7.316 1.00 2.50 O ATOM 1024 OD2 ASP A 77 6.968 11.482 -7.013 1.00 2.65 O ATOM 0 H ASP A 77 9.548 15.023 -4.318 1.00 0.99 H new ATOM 0 HA ASP A 77 6.753 14.541 -5.112 1.00 0.91 H new ATOM 0 HB2 ASP A 77 8.572 14.123 -6.995 1.00 1.16 H new ATOM 0 HB3 ASP A 77 8.914 12.679 -6.062 1.00 1.16 H new ATOM 1029 N GLY A 78 9.021 12.820 -3.408 1.00 0.88 N ATOM 1030 CA GLY A 78 9.191 11.943 -2.275 1.00 0.87 C ATOM 1031 C GLY A 78 10.020 12.576 -1.174 1.00 0.86 C ATOM 1032 O GLY A 78 10.472 13.706 -1.333 1.00 0.99 O ATOM 0 H GLY A 78 9.890 13.101 -3.863 1.00 0.88 H new ATOM 0 HA2 GLY A 78 8.212 11.671 -1.879 1.00 0.87 H new ATOM 0 HA3 GLY A 78 9.670 11.020 -2.602 1.00 0.87 H new ATOM 1036 N CYS A 79 10.240 11.842 -0.065 1.00 0.79 N ATOM 1037 CA CYS A 79 11.047 12.364 1.044 1.00 0.80 C ATOM 1038 C CYS A 79 11.775 11.265 1.828 1.00 0.78 C ATOM 1039 O CYS A 79 11.416 10.094 1.737 1.00 0.89 O ATOM 1040 CB CYS A 79 10.227 13.266 1.957 1.00 0.94 C ATOM 1041 SG CYS A 79 10.086 14.981 1.340 1.00 1.34 S ATOM 0 H CYS A 79 9.875 10.901 0.081 1.00 0.79 H new ATOM 0 HA CYS A 79 11.828 12.975 0.592 1.00 0.80 H new ATOM 0 HB2 CYS A 79 9.228 12.845 2.071 1.00 0.94 H new ATOM 0 HB3 CYS A 79 10.682 13.280 2.947 1.00 0.94 H new ATOM 1046 N HIS A 80 12.829 11.625 2.596 1.00 0.71 N ATOM 1047 CA HIS A 80 13.575 10.606 3.336 1.00 0.76 C ATOM 1048 C HIS A 80 14.215 11.170 4.600 1.00 0.70 C ATOM 1049 O HIS A 80 14.756 12.276 4.595 1.00 0.67 O ATOM 1050 CB HIS A 80 14.666 10.010 2.434 1.00 0.87 C ATOM 1051 CG HIS A 80 14.165 8.990 1.460 1.00 0.99 C ATOM 1052 ND1 HIS A 80 13.680 9.310 0.210 1.00 1.64 N ATOM 1053 CD2 HIS A 80 14.073 7.648 1.563 1.00 1.76 C ATOM 1054 CE1 HIS A 80 13.310 8.205 -0.410 1.00 2.09 C ATOM 1055 NE2 HIS A 80 13.538 7.185 0.390 1.00 2.17 N ATOM 0 H HIS A 80 13.166 12.581 2.712 1.00 0.71 H new ATOM 0 HA HIS A 80 12.868 9.833 3.637 1.00 0.76 H new ATOM 0 HB2 HIS A 80 15.147 10.818 1.882 1.00 0.87 H new ATOM 0 HB3 HIS A 80 15.431 9.552 3.061 1.00 0.87 H new ATOM 0 HD2 HIS A 80 14.367 7.050 2.413 1.00 1.76 H new ATOM 0 HE1 HIS A 80 12.892 8.148 -1.404 1.00 2.09 H new ATOM 0 HE2 HIS A 80 13.347 6.207 0.172 1.00 2.17 H new ATOM 1064 N GLU A 81 14.163 10.393 5.677 1.00 0.75 N ATOM 1065 CA GLU A 81 14.757 10.806 6.939 1.00 0.77 C ATOM 1066 C GLU A 81 16.269 10.905 6.794 1.00 0.72 C ATOM 1067 O GLU A 81 16.931 9.926 6.456 1.00 0.92 O ATOM 1068 CB GLU A 81 14.400 9.808 8.042 1.00 0.94 C ATOM 1069 CG GLU A 81 12.906 9.687 8.292 1.00 1.70 C ATOM 1070 CD GLU A 81 12.536 8.399 9.002 1.00 2.35 C ATOM 1071 OE1 GLU A 81 12.934 7.319 8.520 1.00 3.05 O ATOM 1072 OE2 GLU A 81 11.852 8.472 10.045 1.00 2.71 O ATOM 0 H GLU A 81 13.716 9.476 5.699 1.00 0.75 H new ATOM 0 HA GLU A 81 14.362 11.785 7.211 1.00 0.77 H new ATOM 0 HB2 GLU A 81 14.796 8.828 7.776 1.00 0.94 H new ATOM 0 HB3 GLU A 81 14.891 10.110 8.967 1.00 0.94 H new ATOM 0 HG2 GLU A 81 12.571 10.536 8.889 1.00 1.70 H new ATOM 0 HG3 GLU A 81 12.377 9.738 7.340 1.00 1.70 H new ATOM 1079 N ASP A 82 16.810 12.094 7.029 1.00 0.76 N ATOM 1080 CA ASP A 82 18.250 12.304 6.902 1.00 0.77 C ATOM 1081 C ASP A 82 18.747 13.289 7.972 1.00 0.96 C ATOM 1082 O ASP A 82 18.562 14.494 7.842 1.00 1.21 O ATOM 1083 CB ASP A 82 18.529 12.786 5.471 1.00 0.86 C ATOM 1084 CG ASP A 82 19.628 13.825 5.340 1.00 1.34 C ATOM 1085 OD1 ASP A 82 20.815 13.442 5.409 1.00 1.82 O ATOM 1086 OD2 ASP A 82 19.302 15.013 5.137 1.00 2.02 O ATOM 0 H ASP A 82 16.281 12.921 7.306 1.00 0.76 H new ATOM 0 HA ASP A 82 18.799 11.378 7.072 1.00 0.77 H new ATOM 0 HB2 ASP A 82 18.792 11.923 4.859 1.00 0.86 H new ATOM 0 HB3 ASP A 82 17.609 13.200 5.059 1.00 0.86 H new ATOM 1091 N PRO A 83 19.376 12.774 9.057 1.00 1.15 N ATOM 1092 CA PRO A 83 19.878 13.606 10.169 1.00 1.42 C ATOM 1093 C PRO A 83 21.020 14.543 9.773 1.00 1.28 C ATOM 1094 O PRO A 83 21.449 15.377 10.572 1.00 1.40 O ATOM 1095 CB PRO A 83 20.384 12.579 11.196 1.00 1.81 C ATOM 1096 CG PRO A 83 19.775 11.281 10.792 1.00 1.93 C ATOM 1097 CD PRO A 83 19.634 11.344 9.299 1.00 1.42 C ATOM 0 HA PRO A 83 19.092 14.266 10.536 1.00 1.42 H new ATOM 0 HB2 PRO A 83 21.472 12.521 11.190 1.00 1.81 H new ATOM 0 HB3 PRO A 83 20.085 12.855 12.207 1.00 1.81 H new ATOM 0 HG2 PRO A 83 20.405 10.443 11.090 1.00 1.93 H new ATOM 0 HG3 PRO A 83 18.806 11.137 11.271 1.00 1.93 H new ATOM 0 HD2 PRO A 83 20.537 11.004 8.792 1.00 1.42 H new ATOM 0 HD3 PRO A 83 18.815 10.719 8.943 1.00 1.42 H new ATOM 1105 N ALA A 84 21.533 14.380 8.560 1.00 1.13 N ATOM 1106 CA ALA A 84 22.638 15.199 8.081 1.00 1.17 C ATOM 1107 C ALA A 84 22.244 16.661 7.872 1.00 1.20 C ATOM 1108 O ALA A 84 23.034 17.556 8.152 1.00 1.53 O ATOM 1109 CB ALA A 84 23.197 14.619 6.792 1.00 1.21 C ATOM 0 H ALA A 84 21.201 13.687 7.890 1.00 1.13 H new ATOM 0 HA ALA A 84 23.404 15.184 8.856 1.00 1.17 H new ATOM 0 HB1 ALA A 84 24.023 15.239 6.442 1.00 1.21 H new ATOM 0 HB2 ALA A 84 23.556 13.606 6.974 1.00 1.21 H new ATOM 0 HB3 ALA A 84 22.414 14.596 6.034 1.00 1.21 H new ATOM 1115 N CYS A 85 21.039 16.895 7.360 1.00 1.02 N ATOM 1116 CA CYS A 85 20.561 18.257 7.088 1.00 1.19 C ATOM 1117 C CYS A 85 19.727 18.829 8.238 1.00 1.46 C ATOM 1118 O CYS A 85 19.302 19.978 8.174 1.00 1.88 O ATOM 1119 CB CYS A 85 19.688 18.260 5.825 1.00 1.15 C ATOM 1120 SG CYS A 85 20.422 19.006 4.350 1.00 1.42 S ATOM 0 H CYS A 85 20.371 16.161 7.123 1.00 1.02 H new ATOM 0 HA CYS A 85 21.448 18.878 6.960 1.00 1.19 H new ATOM 0 HB2 CYS A 85 19.420 17.230 5.591 1.00 1.15 H new ATOM 0 HB3 CYS A 85 18.761 18.787 6.050 1.00 1.15 H new ATOM 1125 N ASP A 86 19.460 18.022 9.259 1.00 1.53 N ATOM 1126 CA ASP A 86 18.618 18.455 10.383 1.00 1.90 C ATOM 1127 C ASP A 86 19.293 19.516 11.248 1.00 1.82 C ATOM 1128 O ASP A 86 18.779 20.618 11.421 1.00 2.29 O ATOM 1129 CB ASP A 86 18.219 17.247 11.240 1.00 2.43 C ATOM 1130 CG ASP A 86 16.823 17.367 11.808 1.00 3.07 C ATOM 1131 OD1 ASP A 86 16.610 18.242 12.671 1.00 3.47 O ATOM 1132 OD2 ASP A 86 15.947 16.575 11.402 1.00 3.60 O ATOM 0 H ASP A 86 19.810 17.067 9.337 1.00 1.53 H new ATOM 0 HA ASP A 86 17.725 18.913 9.957 1.00 1.90 H new ATOM 0 HB2 ASP A 86 18.284 16.342 10.636 1.00 2.43 H new ATOM 0 HB3 ASP A 86 18.931 17.137 12.058 1.00 2.43 H new ATOM 1137 N PRO A 87 20.431 19.190 11.841 1.00 1.72 N ATOM 1138 CA PRO A 87 21.164 20.083 12.711 1.00 2.05 C ATOM 1139 C PRO A 87 22.369 20.684 12.046 1.00 2.20 C ATOM 1140 O PRO A 87 22.477 20.748 10.820 1.00 2.35 O ATOM 1141 CB PRO A 87 21.605 19.117 13.808 1.00 2.46 C ATOM 1142 CG PRO A 87 21.676 17.762 13.162 1.00 2.56 C ATOM 1143 CD PRO A 87 21.117 17.900 11.769 1.00 1.96 C ATOM 0 HA PRO A 87 20.575 20.939 13.039 1.00 2.05 H new ATOM 0 HB2 PRO A 87 22.573 19.406 14.216 1.00 2.46 H new ATOM 0 HB3 PRO A 87 20.897 19.118 14.637 1.00 2.46 H new ATOM 0 HG2 PRO A 87 22.705 17.405 13.129 1.00 2.56 H new ATOM 0 HG3 PRO A 87 21.104 17.032 13.735 1.00 2.56 H new ATOM 0 HD2 PRO A 87 21.902 17.897 11.013 1.00 1.96 H new ATOM 0 HD3 PRO A 87 20.433 17.088 11.522 1.00 1.96 H new ATOM 1151 N GLU A 88 23.267 21.111 12.895 1.00 2.56 N ATOM 1152 CA GLU A 88 24.497 21.692 12.478 1.00 3.21 C ATOM 1153 C GLU A 88 25.316 20.691 11.654 1.00 3.51 C ATOM 1154 O GLU A 88 26.217 19.991 12.115 1.00 4.11 O ATOM 1155 CB GLU A 88 25.298 22.240 13.658 1.00 3.64 C ATOM 1156 CG GLU A 88 25.562 21.237 14.765 1.00 3.54 C ATOM 1157 CD GLU A 88 26.403 21.830 15.877 1.00 4.21 C ATOM 1158 OE1 GLU A 88 27.632 21.958 15.689 1.00 4.58 O ATOM 1159 OE2 GLU A 88 25.834 22.176 16.934 1.00 4.72 O ATOM 0 H GLU A 88 23.154 21.060 13.907 1.00 2.56 H new ATOM 0 HA GLU A 88 24.262 22.543 11.838 1.00 3.21 H new ATOM 0 HB2 GLU A 88 26.253 22.613 13.289 1.00 3.64 H new ATOM 0 HB3 GLU A 88 24.764 23.092 14.078 1.00 3.64 H new ATOM 0 HG2 GLU A 88 24.613 20.889 15.174 1.00 3.54 H new ATOM 0 HG3 GLU A 88 26.069 20.365 14.352 1.00 3.54 H new ATOM 1166 N ALA A 89 24.954 20.763 10.396 1.00 3.29 N ATOM 1167 CA ALA A 89 25.584 20.025 9.323 1.00 3.88 C ATOM 1168 C ALA A 89 26.827 20.828 8.958 1.00 4.78 C ATOM 1169 O ALA A 89 27.054 21.189 7.805 1.00 5.29 O ATOM 1170 CB ALA A 89 24.609 19.870 8.169 1.00 3.48 C ATOM 0 H ALA A 89 24.187 21.356 10.078 1.00 3.29 H new ATOM 0 HA ALA A 89 25.868 19.011 9.603 1.00 3.88 H new ATOM 0 HB1 ALA A 89 25.086 19.314 7.362 1.00 3.48 H new ATOM 0 HB2 ALA A 89 23.725 19.330 8.509 1.00 3.48 H new ATOM 0 HB3 ALA A 89 24.315 20.855 7.806 1.00 3.48 H new ATOM 1176 N ALA A 90 27.529 21.244 10.019 1.00 5.12 N ATOM 1177 CA ALA A 90 28.679 22.187 9.908 1.00 6.15 C ATOM 1178 C ALA A 90 29.970 21.505 9.575 1.00 6.94 C ATOM 1179 O ALA A 90 30.332 20.551 10.262 1.00 6.98 O ATOM 1180 CB ALA A 90 28.833 22.960 11.212 1.00 6.47 C ATOM 0 H ALA A 90 27.329 20.948 10.974 1.00 5.12 H new ATOM 0 HA ALA A 90 28.455 22.863 9.083 1.00 6.15 H new ATOM 0 HB1 ALA A 90 29.674 23.649 11.130 1.00 6.47 H new ATOM 0 HB2 ALA A 90 27.921 23.523 11.411 1.00 6.47 H new ATOM 0 HB3 ALA A 90 29.015 22.262 12.029 1.00 6.47 H new ATOM 1186 N PHE A 91 30.681 21.903 8.530 1.00 7.67 N ATOM 1187 CA PHE A 91 31.921 21.188 8.191 1.00 8.56 C ATOM 1188 C PHE A 91 33.094 21.642 9.055 1.00 9.41 C ATOM 1189 O PHE A 91 33.742 22.648 8.771 1.00 9.96 O ATOM 1190 CB PHE A 91 32.269 21.336 6.708 1.00 9.02 C ATOM 1191 CG PHE A 91 33.068 20.174 6.177 1.00 9.29 C ATOM 1192 CD1 PHE A 91 32.445 18.978 5.846 1.00 9.65 C ATOM 1193 CD2 PHE A 91 34.444 20.269 6.024 1.00 9.45 C ATOM 1194 CE1 PHE A 91 33.177 17.905 5.372 1.00 10.10 C ATOM 1195 CE2 PHE A 91 35.180 19.197 5.551 1.00 9.92 C ATOM 1196 CZ PHE A 91 34.546 18.015 5.224 1.00 10.21 C ATOM 0 H PHE A 91 30.442 22.684 7.919 1.00 7.67 H new ATOM 0 HA PHE A 91 31.738 20.134 8.397 1.00 8.56 H new ATOM 0 HB2 PHE A 91 31.349 21.432 6.131 1.00 9.02 H new ATOM 0 HB3 PHE A 91 32.834 22.257 6.562 1.00 9.02 H new ATOM 0 HD1 PHE A 91 31.375 18.885 5.960 1.00 9.65 H new ATOM 0 HD2 PHE A 91 34.947 21.191 6.277 1.00 9.45 H new ATOM 0 HE1 PHE A 91 32.679 16.981 5.118 1.00 10.10 H new ATOM 0 HE2 PHE A 91 36.250 19.285 5.438 1.00 9.92 H new ATOM 0 HZ PHE A 91 35.119 17.178 4.853 1.00 10.21 H new ATOM 1206 N SER A 92 33.361 20.872 10.110 1.00 9.61 N ATOM 1207 CA SER A 92 34.456 21.165 11.026 1.00 10.49 C ATOM 1208 C SER A 92 34.937 19.892 11.718 1.00 11.25 C ATOM 1209 O SER A 92 36.162 19.643 11.713 1.00 11.48 O ATOM 1210 CB SER A 92 34.014 22.189 12.072 1.00 10.50 C ATOM 1211 OG SER A 92 35.132 22.769 12.721 1.00 10.56 O ATOM 1212 OXT SER A 92 34.086 19.156 12.260 1.00 11.77 O ATOM 0 H SER A 92 32.828 20.036 10.350 1.00 9.61 H new ATOM 0 HA SER A 92 35.281 21.580 10.447 1.00 10.49 H new ATOM 0 HB2 SER A 92 33.422 22.969 11.594 1.00 10.50 H new ATOM 0 HB3 SER A 92 33.371 21.707 12.809 1.00 10.50 H new ATOM 0 HG SER A 92 34.823 23.421 13.384 1.00 10.56 H new TER 1218 SER A 92 ATOM 1219 N ALA B 101 -6.404 -1.645 22.571 1.00 10.07 N ATOM 1220 CA ALA B 101 -7.786 -1.990 22.120 1.00 9.47 C ATOM 1221 C ALA B 101 -8.024 -1.561 20.671 1.00 8.40 C ATOM 1222 O ALA B 101 -7.499 -0.538 20.228 1.00 8.14 O ATOM 1223 CB ALA B 101 -8.817 -1.331 23.028 1.00 9.68 C ATOM 0 HA ALA B 101 -7.892 -3.073 22.177 1.00 9.47 H new ATOM 0 HB1 ALA B 101 -9.820 -1.590 22.688 1.00 9.68 H new ATOM 0 HB2 ALA B 101 -8.678 -1.682 24.051 1.00 9.68 H new ATOM 0 HB3 ALA B 101 -8.692 -0.249 22.995 1.00 9.68 H new ATOM 1231 N VAL B 102 -8.828 -2.333 19.935 1.00 8.03 N ATOM 1232 CA VAL B 102 -9.121 -1.983 18.549 1.00 7.24 C ATOM 1233 C VAL B 102 -7.948 -2.280 17.613 1.00 6.03 C ATOM 1234 O VAL B 102 -7.675 -1.550 16.664 1.00 5.94 O ATOM 1235 CB VAL B 102 -9.560 -0.519 18.362 1.00 7.66 C ATOM 1236 CG1 VAL B 102 -10.204 -0.344 16.992 1.00 7.91 C ATOM 1237 CG2 VAL B 102 -10.526 -0.094 19.460 1.00 8.41 C ATOM 0 H VAL B 102 -9.277 -3.186 20.269 1.00 8.03 H new ATOM 0 HA VAL B 102 -9.963 -2.621 18.282 1.00 7.24 H new ATOM 0 HB VAL B 102 -8.678 0.118 18.427 1.00 7.66 H new ATOM 0 HG11 VAL B 102 -10.513 0.694 16.865 1.00 7.91 H new ATOM 0 HG12 VAL B 102 -9.485 -0.606 16.216 1.00 7.91 H new ATOM 0 HG13 VAL B 102 -11.075 -0.994 16.914 1.00 7.91 H new ATOM 0 HG21 VAL B 102 -10.820 0.944 19.304 1.00 8.41 H new ATOM 0 HG22 VAL B 102 -11.411 -0.730 19.432 1.00 8.41 H new ATOM 0 HG23 VAL B 102 -10.039 -0.191 20.430 1.00 8.41 H new ATOM 1247 N LEU B 103 -7.375 -3.460 17.850 1.00 5.40 N ATOM 1248 CA LEU B 103 -6.336 -4.069 17.024 1.00 4.42 C ATOM 1249 C LEU B 103 -6.983 -5.345 16.443 1.00 4.14 C ATOM 1250 O LEU B 103 -7.263 -6.314 17.148 1.00 4.51 O ATOM 1251 CB LEU B 103 -5.049 -4.411 17.805 1.00 4.44 C ATOM 1252 CG LEU B 103 -5.164 -4.479 19.329 1.00 5.04 C ATOM 1253 CD1 LEU B 103 -5.384 -3.095 19.917 1.00 5.09 C ATOM 1254 CD2 LEU B 103 -6.272 -5.435 19.744 1.00 5.87 C ATOM 0 H LEU B 103 -7.632 -4.037 18.651 1.00 5.40 H new ATOM 0 HA LEU B 103 -6.007 -3.371 16.254 1.00 4.42 H new ATOM 0 HB2 LEU B 103 -4.681 -5.373 17.449 1.00 4.44 H new ATOM 0 HB3 LEU B 103 -4.292 -3.668 17.554 1.00 4.44 H new ATOM 0 HG LEU B 103 -4.224 -4.864 19.725 1.00 5.04 H new ATOM 0 HD11 LEU B 103 -5.463 -3.169 21.002 1.00 5.09 H new ATOM 0 HD12 LEU B 103 -4.544 -2.451 19.657 1.00 5.09 H new ATOM 0 HD13 LEU B 103 -6.304 -2.671 19.515 1.00 5.09 H new ATOM 0 HD21 LEU B 103 -6.336 -5.468 20.832 1.00 5.87 H new ATOM 0 HD22 LEU B 103 -7.222 -5.091 19.335 1.00 5.87 H new ATOM 0 HD23 LEU B 103 -6.053 -6.433 19.363 1.00 5.87 H new ATOM 1266 N ASP B 104 -7.181 -5.292 15.145 1.00 4.04 N ATOM 1267 CA ASP B 104 -7.758 -6.368 14.354 1.00 4.36 C ATOM 1268 C ASP B 104 -7.415 -6.122 12.907 1.00 4.07 C ATOM 1269 O ASP B 104 -6.643 -5.210 12.623 1.00 4.12 O ATOM 1270 CB ASP B 104 -9.265 -6.418 14.546 1.00 5.06 C ATOM 1271 CG ASP B 104 -9.656 -6.910 15.924 1.00 5.80 C ATOM 1272 OD1 ASP B 104 -9.390 -8.092 16.230 1.00 6.27 O ATOM 1273 OD2 ASP B 104 -10.228 -6.114 16.698 1.00 6.19 O ATOM 0 H ASP B 104 -6.938 -4.473 14.587 1.00 4.04 H new ATOM 0 HA ASP B 104 -7.353 -7.328 14.674 1.00 4.36 H new ATOM 0 HB2 ASP B 104 -9.682 -5.424 14.387 1.00 5.06 H new ATOM 0 HB3 ASP B 104 -9.703 -7.072 13.792 1.00 5.06 H new ATOM 1278 N LEU B 105 -7.948 -6.895 11.953 1.00 4.35 N ATOM 1279 CA LEU B 105 -7.540 -6.554 10.603 1.00 4.75 C ATOM 1280 C LEU B 105 -8.461 -5.502 10.031 1.00 5.41 C ATOM 1281 O LEU B 105 -8.401 -5.156 8.853 1.00 6.19 O ATOM 1282 CB LEU B 105 -7.412 -7.789 9.715 1.00 5.45 C ATOM 1283 CG LEU B 105 -6.514 -7.622 8.480 1.00 6.23 C ATOM 1284 CD1 LEU B 105 -5.235 -6.855 8.815 1.00 5.95 C ATOM 1285 CD2 LEU B 105 -6.173 -8.985 7.897 1.00 7.20 C ATOM 0 H LEU B 105 -8.593 -7.676 12.072 1.00 4.35 H new ATOM 0 HA LEU B 105 -6.540 -6.123 10.640 1.00 4.75 H new ATOM 0 HB2 LEU B 105 -7.023 -8.610 10.317 1.00 5.45 H new ATOM 0 HB3 LEU B 105 -8.408 -8.081 9.382 1.00 5.45 H new ATOM 0 HG LEU B 105 -7.065 -7.041 7.740 1.00 6.23 H new ATOM 0 HD11 LEU B 105 -4.624 -6.756 7.918 1.00 5.95 H new ATOM 0 HD12 LEU B 105 -5.492 -5.864 9.190 1.00 5.95 H new ATOM 0 HD13 LEU B 105 -4.675 -7.397 9.577 1.00 5.95 H new ATOM 0 HD21 LEU B 105 -5.536 -8.857 7.022 1.00 7.20 H new ATOM 0 HD22 LEU B 105 -5.648 -9.579 8.645 1.00 7.20 H new ATOM 0 HD23 LEU B 105 -7.091 -9.496 7.606 1.00 7.20 H new ATOM 1297 N ASP B 106 -9.348 -5.018 10.912 1.00 5.41 N ATOM 1298 CA ASP B 106 -10.343 -4.006 10.566 1.00 6.32 C ATOM 1299 C ASP B 106 -9.545 -2.760 10.539 1.00 6.19 C ATOM 1300 O ASP B 106 -9.084 -2.359 9.472 1.00 6.37 O ATOM 1301 CB ASP B 106 -11.466 -3.934 11.606 1.00 7.13 C ATOM 1302 CG ASP B 106 -12.843 -3.906 10.974 1.00 8.06 C ATOM 1303 OD1 ASP B 106 -13.175 -2.891 10.325 1.00 8.48 O ATOM 1304 OD2 ASP B 106 -13.589 -4.893 11.132 1.00 8.55 O ATOM 0 H ASP B 106 -9.392 -5.321 11.885 1.00 5.41 H new ATOM 0 HA ASP B 106 -10.854 -4.212 9.625 1.00 6.32 H new ATOM 0 HB2 ASP B 106 -11.394 -4.793 12.274 1.00 7.13 H new ATOM 0 HB3 ASP B 106 -11.333 -3.042 12.218 1.00 7.13 H new ATOM 1309 N VAL B 107 -9.208 -2.225 11.707 1.00 6.17 N ATOM 1310 CA VAL B 107 -8.239 -1.151 11.647 1.00 6.24 C ATOM 1311 C VAL B 107 -7.532 -1.225 12.947 1.00 5.49 C ATOM 1312 O VAL B 107 -8.153 -0.967 13.977 1.00 5.67 O ATOM 1313 CB VAL B 107 -8.945 0.215 11.455 1.00 7.18 C ATOM 1314 CG1 VAL B 107 -10.031 0.432 12.504 1.00 7.33 C ATOM 1315 CG2 VAL B 107 -7.947 1.360 11.461 1.00 7.48 C ATOM 0 H VAL B 107 -9.557 -2.490 12.628 1.00 6.17 H new ATOM 0 HA VAL B 107 -7.553 -1.246 10.805 1.00 6.24 H new ATOM 0 HB VAL B 107 -9.426 0.198 10.477 1.00 7.18 H new ATOM 0 HG11 VAL B 107 -10.506 1.399 12.341 1.00 7.33 H new ATOM 0 HG12 VAL B 107 -10.778 -0.358 12.423 1.00 7.33 H new ATOM 0 HG13 VAL B 107 -9.586 0.410 13.499 1.00 7.33 H new ATOM 0 HG21 VAL B 107 -8.475 2.304 11.324 1.00 7.48 H new ATOM 0 HG22 VAL B 107 -7.417 1.376 12.413 1.00 7.48 H new ATOM 0 HG23 VAL B 107 -7.232 1.224 10.650 1.00 7.48 H new ATOM 1325 N ARG B 108 -6.253 -1.561 12.996 1.00 5.08 N ATOM 1326 CA ARG B 108 -5.613 -1.622 14.284 1.00 4.80 C ATOM 1327 C ARG B 108 -5.312 -0.218 14.641 1.00 4.49 C ATOM 1328 O ARG B 108 -4.539 0.421 13.921 1.00 4.98 O ATOM 1329 CB ARG B 108 -4.360 -2.507 14.260 1.00 5.26 C ATOM 1330 CG ARG B 108 -4.646 -4.010 14.374 1.00 6.18 C ATOM 1331 CD ARG B 108 -3.403 -4.868 14.256 1.00 6.96 C ATOM 1332 NE ARG B 108 -2.504 -4.669 15.393 1.00 7.64 N ATOM 1333 CZ ARG B 108 -1.993 -5.657 16.123 1.00 8.36 C ATOM 1334 NH1 ARG B 108 -2.281 -6.922 15.844 1.00 8.54 N ATOM 1335 NH2 ARG B 108 -1.189 -5.380 17.139 1.00 9.12 N ATOM 0 H ARG B 108 -5.665 -1.785 12.193 1.00 5.08 H new ATOM 0 HA ARG B 108 -6.256 -2.085 15.032 1.00 4.80 H new ATOM 0 HB2 ARG B 108 -3.816 -2.322 13.334 1.00 5.26 H new ATOM 0 HB3 ARG B 108 -3.704 -2.211 15.079 1.00 5.26 H new ATOM 0 HG2 ARG B 108 -5.127 -4.209 15.332 1.00 6.18 H new ATOM 0 HG3 ARG B 108 -5.353 -4.298 13.596 1.00 6.18 H new ATOM 0 HD2 ARG B 108 -3.689 -5.918 14.196 1.00 6.96 H new ATOM 0 HD3 ARG B 108 -2.880 -4.627 13.331 1.00 6.96 H new ATOM 0 HE ARG B 108 -2.253 -3.712 15.642 1.00 7.64 H new ATOM 0 HH11 ARG B 108 -2.899 -7.144 15.064 1.00 8.54 H new ATOM 0 HH12 ARG B 108 -1.884 -7.672 16.410 1.00 8.54 H new ATOM 0 HH21 ARG B 108 -0.963 -4.410 17.361 1.00 9.12 H new ATOM 0 HH22 ARG B 108 -0.796 -6.136 17.700 1.00 9.12 H new ATOM 1349 N THR B 109 -5.897 0.329 15.673 1.00 4.05 N ATOM 1350 CA THR B 109 -5.558 1.705 15.907 1.00 4.08 C ATOM 1351 C THR B 109 -4.054 1.787 16.137 1.00 3.18 C ATOM 1352 O THR B 109 -3.536 1.429 17.192 1.00 3.48 O ATOM 1353 CB THR B 109 -6.335 2.215 17.129 1.00 4.98 C ATOM 1354 OG1 THR B 109 -5.951 3.533 17.490 1.00 5.58 O ATOM 1355 CG2 THR B 109 -6.164 1.334 18.355 1.00 5.69 C ATOM 0 H THR B 109 -6.556 -0.111 16.316 1.00 4.05 H new ATOM 0 HA THR B 109 -5.825 2.328 15.053 1.00 4.08 H new ATOM 0 HB THR B 109 -7.379 2.196 16.817 1.00 4.98 H new ATOM 0 HG1 THR B 109 -6.468 3.822 18.270 1.00 5.58 H new ATOM 0 HG21 THR B 109 -6.738 1.749 19.184 1.00 5.69 H new ATOM 0 HG22 THR B 109 -6.522 0.328 18.133 1.00 5.69 H new ATOM 0 HG23 THR B 109 -5.110 1.292 18.629 1.00 5.69 H new ATOM 1363 N CYS B 110 -3.390 2.300 15.105 1.00 2.52 N ATOM 1364 CA CYS B 110 -1.944 2.509 15.076 1.00 1.89 C ATOM 1365 C CYS B 110 -1.500 3.797 15.812 1.00 1.69 C ATOM 1366 O CYS B 110 -1.780 4.897 15.335 1.00 1.94 O ATOM 1367 CB CYS B 110 -1.432 2.478 13.638 1.00 2.23 C ATOM 1368 SG CYS B 110 -0.037 1.329 13.388 1.00 2.61 S ATOM 0 H CYS B 110 -3.854 2.589 14.244 1.00 2.52 H new ATOM 0 HA CYS B 110 -1.491 1.685 15.627 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -2.250 2.194 12.975 1.00 2.23 H new ATOM 0 HB3 CYS B 110 -1.122 3.482 13.349 1.00 2.23 H new ATOM 1373 N LEU B 111 -0.808 3.665 16.948 1.00 1.46 N ATOM 1374 CA LEU B 111 -0.306 4.827 17.733 1.00 1.37 C ATOM 1375 C LEU B 111 -0.791 6.181 17.182 1.00 1.20 C ATOM 1376 O LEU B 111 -0.405 6.582 16.079 1.00 1.18 O ATOM 1377 CB LEU B 111 1.231 4.819 17.772 1.00 1.54 C ATOM 1378 CG LEU B 111 1.848 3.898 18.829 1.00 1.90 C ATOM 1379 CD1 LEU B 111 1.383 4.296 20.221 1.00 2.47 C ATOM 1380 CD2 LEU B 111 1.495 2.446 18.540 1.00 2.26 C ATOM 0 H LEU B 111 -0.574 2.761 17.358 1.00 1.46 H new ATOM 0 HA LEU B 111 -0.713 4.717 18.738 1.00 1.37 H new ATOM 0 HB2 LEU B 111 1.603 4.522 16.791 1.00 1.54 H new ATOM 0 HB3 LEU B 111 1.580 5.836 17.950 1.00 1.54 H new ATOM 0 HG LEU B 111 2.932 4.003 18.788 1.00 1.90 H new ATOM 0 HD11 LEU B 111 1.832 3.631 20.959 1.00 2.47 H new ATOM 0 HD12 LEU B 111 1.687 5.323 20.426 1.00 2.47 H new ATOM 0 HD13 LEU B 111 0.297 4.221 20.277 1.00 2.47 H new ATOM 0 HD21 LEU B 111 1.941 1.805 19.300 1.00 2.26 H new ATOM 0 HD22 LEU B 111 0.412 2.325 18.554 1.00 2.26 H new ATOM 0 HD23 LEU B 111 1.879 2.167 17.559 1.00 2.26 H new ATOM 1392 N PRO B 112 -1.666 6.886 17.939 1.00 1.19 N ATOM 1393 CA PRO B 112 -2.237 8.176 17.516 1.00 1.12 C ATOM 1394 C PRO B 112 -1.344 9.409 17.710 1.00 1.03 C ATOM 1395 O PRO B 112 -0.904 9.718 18.820 1.00 1.06 O ATOM 1396 CB PRO B 112 -3.477 8.297 18.398 1.00 1.30 C ATOM 1397 CG PRO B 112 -3.115 7.586 19.654 1.00 1.47 C ATOM 1398 CD PRO B 112 -2.207 6.454 19.246 1.00 1.37 C ATOM 0 HA PRO B 112 -2.408 8.169 16.439 1.00 1.12 H new ATOM 0 HB2 PRO B 112 -3.726 9.341 18.591 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -4.347 7.844 17.923 1.00 1.30 H new ATOM 0 HG2 PRO B 112 -2.613 8.257 20.351 1.00 1.47 H new ATOM 0 HG3 PRO B 112 -4.005 7.210 20.159 1.00 1.47 H new ATOM 0 HD2 PRO B 112 -1.412 6.297 19.975 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -2.753 5.514 19.162 1.00 1.37 H new ATOM 1406 N CYS B 113 -1.096 10.108 16.599 1.00 0.94 N ATOM 1407 CA CYS B 113 -0.279 11.323 16.603 1.00 0.90 C ATOM 1408 C CYS B 113 -1.017 12.493 15.934 1.00 0.91 C ATOM 1409 O CYS B 113 -2.178 12.382 15.562 1.00 1.00 O ATOM 1410 CB CYS B 113 1.063 11.082 15.907 1.00 0.83 C ATOM 1411 SG CYS B 113 0.934 10.562 14.165 1.00 0.87 S ATOM 0 H CYS B 113 -1.453 9.850 15.679 1.00 0.94 H new ATOM 0 HA CYS B 113 -0.091 11.586 17.644 1.00 0.90 H new ATOM 0 HB2 CYS B 113 1.652 11.998 15.956 1.00 0.83 H new ATOM 0 HB3 CYS B 113 1.612 10.320 16.460 1.00 0.83 H new ATOM 1416 N GLY B 114 -0.342 13.628 15.809 1.00 0.92 N ATOM 1417 CA GLY B 114 -0.974 14.804 15.221 1.00 0.99 C ATOM 1418 C GLY B 114 -1.949 15.481 16.179 1.00 1.11 C ATOM 1419 O GLY B 114 -1.900 15.233 17.383 1.00 1.16 O ATOM 0 H GLY B 114 0.626 13.760 16.101 1.00 0.92 H new ATOM 0 HA2 GLY B 114 -0.204 15.517 14.926 1.00 0.99 H new ATOM 0 HA3 GLY B 114 -1.503 14.513 14.314 1.00 0.99 H new ATOM 1423 N PRO B 115 -2.873 16.324 15.679 1.00 1.19 N ATOM 1424 CA PRO B 115 -3.890 17.008 16.506 1.00 1.33 C ATOM 1425 C PRO B 115 -4.869 16.038 17.154 1.00 1.40 C ATOM 1426 O PRO B 115 -5.882 15.650 16.572 1.00 1.57 O ATOM 1427 CB PRO B 115 -4.612 17.854 15.473 1.00 1.46 C ATOM 1428 CG PRO B 115 -4.565 16.915 14.360 1.00 1.39 C ATOM 1429 CD PRO B 115 -3.100 16.631 14.272 1.00 1.21 C ATOM 0 HA PRO B 115 -3.451 17.561 17.336 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -5.629 18.109 15.770 1.00 1.46 H new ATOM 0 HB3 PRO B 115 -4.098 18.791 15.259 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -5.146 16.014 14.558 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -4.955 17.350 13.440 1.00 1.39 H new ATOM 0 HD2 PRO B 115 -2.867 15.797 13.611 1.00 1.21 H new ATOM 0 HD3 PRO B 115 -2.520 17.486 13.923 1.00 1.21 H new ATOM 1437 N GLY B 116 -4.563 15.709 18.363 1.00 1.35 N ATOM 1438 CA GLY B 116 -5.376 14.838 19.165 1.00 1.48 C ATOM 1439 C GLY B 116 -5.115 13.389 18.894 1.00 1.44 C ATOM 1440 O GLY B 116 -5.642 12.518 19.586 1.00 1.70 O ATOM 0 H GLY B 116 -3.724 16.042 18.838 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -5.192 15.045 20.219 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -6.428 15.055 18.977 1.00 1.48 H new ATOM 1444 N GLY B 117 -4.246 13.117 17.942 1.00 1.29 N ATOM 1445 CA GLY B 117 -3.917 11.764 17.692 1.00 1.26 C ATOM 1446 C GLY B 117 -4.848 11.010 16.765 1.00 1.26 C ATOM 1447 O GLY B 117 -5.074 9.808 16.894 1.00 1.38 O ATOM 0 H GLY B 117 -3.776 13.805 17.354 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -2.912 11.728 17.272 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -3.883 11.238 18.646 1.00 1.26 H new ATOM 1451 N LYS B 118 -5.324 11.767 15.786 1.00 1.19 N ATOM 1452 CA LYS B 118 -6.176 11.247 14.722 1.00 1.25 C ATOM 1453 C LYS B 118 -5.273 10.455 13.774 1.00 1.15 C ATOM 1454 O LYS B 118 -5.677 9.469 13.154 1.00 1.25 O ATOM 1455 CB LYS B 118 -6.866 12.388 13.962 1.00 1.30 C ATOM 1456 CG LYS B 118 -7.005 13.679 14.763 1.00 1.36 C ATOM 1457 CD LYS B 118 -8.458 14.039 15.005 1.00 1.78 C ATOM 1458 CE LYS B 118 -8.705 15.525 14.806 1.00 1.95 C ATOM 1459 NZ LYS B 118 -8.897 15.870 13.371 1.00 2.54 N ATOM 0 H LYS B 118 -5.130 12.765 15.706 1.00 1.19 H new ATOM 0 HA LYS B 118 -6.961 10.616 15.139 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -6.302 12.597 13.053 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -7.857 12.057 13.653 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -6.494 13.570 15.719 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -6.513 14.492 14.229 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -9.093 13.470 14.326 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -8.740 13.755 16.019 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -9.587 15.825 15.372 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -7.862 16.089 15.205 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -9.063 16.893 13.279 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -8.046 15.607 12.834 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -9.717 15.351 12.996 1.00 2.54 H new ATOM 1473 N GLY B 119 -4.038 10.950 13.686 1.00 1.04 N ATOM 1474 CA GLY B 119 -3.022 10.355 12.846 1.00 0.97 C ATOM 1475 C GLY B 119 -2.382 9.131 13.472 1.00 0.93 C ATOM 1476 O GLY B 119 -2.714 8.758 14.593 1.00 1.02 O ATOM 0 H GLY B 119 -3.723 11.774 14.198 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -3.465 10.078 11.889 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -2.250 11.096 12.637 1.00 0.97 H new ATOM 1480 N ARG B 120 -1.460 8.512 12.741 1.00 0.87 N ATOM 1481 CA ARG B 120 -0.765 7.319 13.214 1.00 0.87 C ATOM 1482 C ARG B 120 0.696 7.356 12.788 1.00 0.80 C ATOM 1483 O ARG B 120 1.065 8.114 11.891 1.00 0.79 O ATOM 1484 CB ARG B 120 -1.421 6.056 12.650 1.00 0.95 C ATOM 1485 CG ARG B 120 -2.922 5.969 12.892 1.00 1.16 C ATOM 1486 CD ARG B 120 -3.707 6.062 11.590 1.00 1.60 C ATOM 1487 NE ARG B 120 -4.393 4.811 11.267 1.00 1.82 N ATOM 1488 CZ ARG B 120 -5.500 4.737 10.529 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -6.053 5.838 10.033 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -6.056 3.558 10.282 1.00 2.89 N ATOM 0 H ARG B 120 -1.175 8.820 11.811 1.00 0.87 H new ATOM 0 HA ARG B 120 -0.827 7.300 14.302 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -1.234 6.012 11.577 1.00 0.95 H new ATOM 0 HB3 ARG B 120 -0.942 5.183 13.093 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -3.156 5.029 13.392 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -3.230 6.772 13.561 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -4.439 6.866 11.666 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -3.029 6.323 10.777 1.00 1.60 H new ATOM 0 HE ARG B 120 -4.000 3.942 11.629 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -5.630 6.748 10.216 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -6.900 5.773 9.469 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -5.636 2.707 10.657 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -6.903 3.502 9.717 1.00 2.89 H new ATOM 1504 N CYS B 121 1.530 6.541 13.427 1.00 0.82 N ATOM 1505 CA CYS B 121 2.952 6.519 13.087 1.00 0.81 C ATOM 1506 C CYS B 121 3.352 5.244 12.357 1.00 0.85 C ATOM 1507 O CYS B 121 2.873 4.153 12.663 1.00 1.05 O ATOM 1508 CB CYS B 121 3.824 6.665 14.335 1.00 0.91 C ATOM 1509 SG CYS B 121 5.568 7.024 13.955 1.00 1.07 S ATOM 0 H CYS B 121 1.255 5.898 14.169 1.00 0.82 H new ATOM 0 HA CYS B 121 3.115 7.368 12.423 1.00 0.81 H new ATOM 0 HB2 CYS B 121 3.423 7.464 14.959 1.00 0.91 H new ATOM 0 HB3 CYS B 121 3.768 5.746 14.919 1.00 0.91 H new ATOM 1514 N PHE B 122 4.263 5.410 11.403 1.00 0.76 N ATOM 1515 CA PHE B 122 4.795 4.305 10.610 1.00 0.84 C ATOM 1516 C PHE B 122 6.318 4.343 10.671 1.00 0.95 C ATOM 1517 O PHE B 122 6.964 3.371 11.060 1.00 1.44 O ATOM 1518 CB PHE B 122 4.317 4.415 9.160 1.00 0.86 C ATOM 1519 CG PHE B 122 2.831 4.278 9.012 1.00 0.86 C ATOM 1520 CD1 PHE B 122 1.981 5.294 9.429 1.00 1.42 C ATOM 1521 CD2 PHE B 122 2.280 3.129 8.467 1.00 1.41 C ATOM 1522 CE1 PHE B 122 0.610 5.164 9.301 1.00 1.50 C ATOM 1523 CE2 PHE B 122 0.910 2.995 8.336 1.00 1.53 C ATOM 1524 CZ PHE B 122 0.074 4.012 8.754 1.00 1.15 C ATOM 0 H PHE B 122 4.655 6.319 11.157 1.00 0.76 H new ATOM 0 HA PHE B 122 4.437 3.358 11.014 1.00 0.84 H new ATOM 0 HB2 PHE B 122 4.628 5.378 8.755 1.00 0.86 H new ATOM 0 HB3 PHE B 122 4.807 3.645 8.564 1.00 0.86 H new ATOM 0 HD1 PHE B 122 2.395 6.195 9.858 1.00 1.42 H new ATOM 0 HD2 PHE B 122 2.928 2.329 8.141 1.00 1.41 H new ATOM 0 HE1 PHE B 122 -0.041 5.961 9.628 1.00 1.50 H new ATOM 0 HE2 PHE B 122 0.494 2.095 7.907 1.00 1.53 H new ATOM 0 HZ PHE B 122 -0.996 3.908 8.654 1.00 1.15 H new ATOM 1534 N GLY B 123 6.878 5.499 10.319 1.00 0.84 N ATOM 1535 CA GLY B 123 8.317 5.685 10.376 1.00 0.89 C ATOM 1536 C GLY B 123 8.708 6.352 11.683 1.00 0.89 C ATOM 1537 O GLY B 123 7.916 7.113 12.237 1.00 0.90 O ATOM 0 H GLY B 123 6.357 6.313 9.994 1.00 0.84 H new ATOM 0 HA2 GLY B 123 8.819 4.722 10.286 1.00 0.89 H new ATOM 0 HA3 GLY B 123 8.646 6.296 9.535 1.00 0.89 H new ATOM 1541 N PRO B 124 9.908 6.086 12.223 1.00 1.02 N ATOM 1542 CA PRO B 124 10.334 6.685 13.493 1.00 1.08 C ATOM 1543 C PRO B 124 10.149 8.204 13.524 1.00 0.96 C ATOM 1544 O PRO B 124 9.597 8.745 14.482 1.00 1.02 O ATOM 1545 CB PRO B 124 11.814 6.311 13.584 1.00 1.33 C ATOM 1546 CG PRO B 124 11.938 5.061 12.781 1.00 1.51 C ATOM 1547 CD PRO B 124 10.931 5.181 11.665 1.00 1.26 C ATOM 0 HA PRO B 124 9.740 6.322 14.332 1.00 1.08 H new ATOM 0 HB2 PRO B 124 12.448 7.103 13.185 1.00 1.33 H new ATOM 0 HB3 PRO B 124 12.119 6.149 14.618 1.00 1.33 H new ATOM 0 HG2 PRO B 124 12.948 4.950 12.385 1.00 1.51 H new ATOM 0 HG3 PRO B 124 11.738 4.182 13.394 1.00 1.51 H new ATOM 0 HD2 PRO B 124 11.380 5.592 10.761 1.00 1.26 H new ATOM 0 HD3 PRO B 124 10.508 4.212 11.399 1.00 1.26 H new ATOM 1555 N SER B 125 10.607 8.888 12.475 1.00 0.97 N ATOM 1556 CA SER B 125 10.480 10.347 12.391 1.00 0.92 C ATOM 1557 C SER B 125 9.314 10.753 11.489 1.00 0.76 C ATOM 1558 O SER B 125 9.117 11.938 11.215 1.00 0.78 O ATOM 1559 CB SER B 125 11.778 10.973 11.849 1.00 1.12 C ATOM 1560 OG SER B 125 12.397 11.795 12.826 1.00 1.25 O ATOM 0 H SER B 125 11.068 8.459 11.673 1.00 0.97 H new ATOM 0 HA SER B 125 10.290 10.715 13.399 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.466 10.184 11.545 1.00 1.12 H new ATOM 0 HB3 SER B 125 11.557 11.564 10.960 1.00 1.12 H new ATOM 0 HG SER B 125 13.220 12.179 12.457 1.00 1.25 H new ATOM 1566 N ILE B 126 8.567 9.769 10.998 1.00 0.70 N ATOM 1567 CA ILE B 126 7.458 10.029 10.094 1.00 0.60 C ATOM 1568 C ILE B 126 6.108 9.551 10.636 1.00 0.57 C ATOM 1569 O ILE B 126 5.930 8.368 10.934 1.00 0.74 O ATOM 1570 CB ILE B 126 7.687 9.382 8.716 1.00 0.60 C ATOM 1571 CG1 ILE B 126 9.184 9.194 8.412 1.00 0.79 C ATOM 1572 CG2 ILE B 126 7.036 10.231 7.651 1.00 0.72 C ATOM 1573 CD1 ILE B 126 9.462 8.146 7.355 1.00 0.85 C ATOM 0 H ILE B 126 8.712 8.783 11.213 1.00 0.70 H new ATOM 0 HA ILE B 126 7.423 11.114 9.998 1.00 0.60 H new ATOM 0 HB ILE B 126 7.235 8.390 8.725 1.00 0.60 H new ATOM 0 HG12 ILE B 126 9.602 10.146 8.086 1.00 0.79 H new ATOM 0 HG13 ILE B 126 9.701 8.917 9.331 1.00 0.79 H new ATOM 0 HG21 ILE B 126 7.197 9.775 6.674 1.00 0.72 H new ATOM 0 HG22 ILE B 126 5.966 10.303 7.847 1.00 0.72 H new ATOM 0 HG23 ILE B 126 7.475 11.229 7.662 1.00 0.72 H new ATOM 0 HD11 ILE B 126 10.537 8.068 7.193 1.00 0.85 H new ATOM 0 HD12 ILE B 126 9.075 7.183 7.687 1.00 0.85 H new ATOM 0 HD13 ILE B 126 8.975 8.431 6.423 1.00 0.85 H new ATOM 1585 N CYS B 127 5.152 10.480 10.740 1.00 0.54 N ATOM 1586 CA CYS B 127 3.802 10.158 11.217 1.00 0.53 C ATOM 1587 C CYS B 127 2.764 10.616 10.183 1.00 0.53 C ATOM 1588 O CYS B 127 2.758 11.778 9.771 1.00 0.56 O ATOM 1589 CB CYS B 127 3.526 10.816 12.575 1.00 0.56 C ATOM 1590 SG CYS B 127 2.740 9.707 13.790 1.00 0.89 S ATOM 0 H CYS B 127 5.288 11.462 10.500 1.00 0.54 H new ATOM 0 HA CYS B 127 3.729 9.078 11.346 1.00 0.53 H new ATOM 0 HB2 CYS B 127 4.466 11.182 12.988 1.00 0.56 H new ATOM 0 HB3 CYS B 127 2.885 11.684 12.423 1.00 0.56 H new ATOM 1595 N CYS B 128 1.912 9.690 9.730 1.00 0.53 N ATOM 1596 CA CYS B 128 0.928 10.021 8.711 1.00 0.56 C ATOM 1597 C CYS B 128 -0.518 9.575 9.052 1.00 0.60 C ATOM 1598 O CYS B 128 -0.730 8.497 9.623 1.00 0.76 O ATOM 1599 CB CYS B 128 1.365 9.395 7.378 1.00 0.63 C ATOM 1600 SG CYS B 128 3.086 8.793 7.361 1.00 1.23 S ATOM 0 H CYS B 128 1.888 8.722 10.051 1.00 0.53 H new ATOM 0 HA CYS B 128 0.894 11.109 8.649 1.00 0.56 H new ATOM 0 HB2 CYS B 128 0.699 8.564 7.145 1.00 0.63 H new ATOM 0 HB3 CYS B 128 1.243 10.134 6.586 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.510 10.420 8.666 1.00 0.60 N ATOM 1606 CA GLY B 129 -2.898 10.131 8.874 1.00 0.65 C ATOM 1607 C GLY B 129 -3.679 10.376 7.594 1.00 0.66 C ATOM 1608 O GLY B 129 -3.095 10.645 6.541 1.00 0.64 O ATOM 0 H GLY B 129 -1.339 11.313 8.204 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -3.018 9.095 9.190 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -3.292 10.757 9.675 1.00 0.65 H new ATOM 1612 N ASP B 130 -4.983 10.280 7.680 1.00 0.72 N ATOM 1613 CA ASP B 130 -5.851 10.460 6.521 1.00 0.76 C ATOM 1614 C ASP B 130 -5.786 11.864 5.934 1.00 0.77 C ATOM 1615 O ASP B 130 -5.489 12.048 4.754 1.00 0.81 O ATOM 1616 CB ASP B 130 -7.294 10.110 6.875 1.00 0.84 C ATOM 1617 CG ASP B 130 -7.812 10.925 8.041 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -7.049 11.121 9.010 1.00 2.35 O ATOM 1619 OD2 ASP B 130 -8.975 11.373 7.981 1.00 1.96 O ATOM 0 H ASP B 130 -5.480 10.076 8.547 1.00 0.72 H new ATOM 0 HA ASP B 130 -5.483 9.779 5.754 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -7.930 10.278 6.006 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -7.359 9.049 7.118 1.00 0.84 H new ATOM 1624 N GLU B 131 -6.049 12.860 6.734 1.00 0.79 N ATOM 1625 CA GLU B 131 -6.009 14.210 6.241 1.00 0.85 C ATOM 1626 C GLU B 131 -4.997 15.018 7.006 1.00 0.89 C ATOM 1627 O GLU B 131 -5.059 16.244 7.046 1.00 1.03 O ATOM 1628 CB GLU B 131 -7.383 14.879 6.491 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.512 13.930 6.901 1.00 1.02 C ATOM 1630 CD GLU B 131 -9.815 14.242 6.193 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -9.998 13.766 5.053 1.00 1.63 O ATOM 1632 OE2 GLU B 131 -10.653 14.968 6.773 1.00 1.69 O ATOM 0 H GLU B 131 -6.291 12.765 7.720 1.00 0.79 H new ATOM 0 HA GLU B 131 -5.756 14.178 5.181 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -7.265 15.633 7.269 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -7.683 15.403 5.583 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -8.218 12.904 6.680 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -8.663 13.994 7.979 1.00 1.02 H new ATOM 1639 N LEU B 132 -4.000 14.336 7.511 1.00 0.83 N ATOM 1640 CA LEU B 132 -2.901 14.855 8.217 1.00 0.89 C ATOM 1641 C LEU B 132 -1.710 14.366 7.391 1.00 0.83 C ATOM 1642 O LEU B 132 -0.604 14.878 7.506 1.00 0.91 O ATOM 1643 CB LEU B 132 -2.897 14.213 9.613 1.00 0.93 C ATOM 1644 CG LEU B 132 -2.997 15.166 10.793 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -3.516 14.427 12.020 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -1.647 15.810 11.072 1.00 1.38 C ATOM 0 H LEU B 132 -3.951 13.321 7.420 1.00 0.83 H new ATOM 0 HA LEU B 132 -2.900 15.937 8.348 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -3.729 13.511 9.669 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -1.981 13.632 9.720 1.00 0.93 H new ATOM 0 HG LEU B 132 -3.703 15.960 10.548 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -3.584 15.119 12.860 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -4.503 14.017 11.807 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -2.833 13.616 12.272 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -1.736 16.489 11.920 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -0.915 15.036 11.303 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -1.321 16.367 10.194 1.00 1.38 H new ATOM 1658 N GLY B 133 -2.035 13.502 6.421 1.00 0.72 N ATOM 1659 CA GLY B 133 -1.106 13.081 5.425 1.00 0.70 C ATOM 1660 C GLY B 133 0.133 12.315 5.852 1.00 0.66 C ATOM 1661 O GLY B 133 0.021 11.122 6.051 1.00 0.65 O ATOM 0 H GLY B 133 -2.962 13.086 6.325 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -1.647 12.460 4.711 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -0.775 13.969 4.887 1.00 0.70 H new ATOM 1665 N CYS B 134 1.291 12.978 6.078 1.00 0.69 N ATOM 1666 CA CYS B 134 2.514 12.305 6.559 1.00 0.68 C ATOM 1667 C CYS B 134 3.544 13.345 6.942 1.00 0.64 C ATOM 1668 O CYS B 134 4.144 13.977 6.074 1.00 0.62 O ATOM 1669 CB CYS B 134 3.070 11.340 5.536 1.00 0.72 C ATOM 1670 SG CYS B 134 4.189 10.066 6.205 1.00 1.08 S ATOM 0 H CYS B 134 1.401 13.982 5.933 1.00 0.69 H new ATOM 0 HA CYS B 134 2.256 11.713 7.437 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.238 10.845 5.036 1.00 0.72 H new ATOM 0 HB3 CYS B 134 3.605 11.909 4.776 1.00 0.72 H new ATOM 1675 N PHE B 135 3.761 13.520 8.242 1.00 0.67 N ATOM 1676 CA PHE B 135 4.711 14.484 8.689 1.00 0.66 C ATOM 1677 C PHE B 135 6.015 13.769 8.774 1.00 0.64 C ATOM 1678 O PHE B 135 6.247 12.975 9.687 1.00 0.64 O ATOM 1679 CB PHE B 135 4.303 15.033 10.060 1.00 0.70 C ATOM 1680 CG PHE B 135 3.090 15.938 10.044 1.00 0.72 C ATOM 1681 CD1 PHE B 135 2.161 15.891 9.013 1.00 1.15 C ATOM 1682 CD2 PHE B 135 2.882 16.842 11.073 1.00 0.96 C ATOM 1683 CE1 PHE B 135 1.060 16.726 9.016 1.00 1.36 C ATOM 1684 CE2 PHE B 135 1.781 17.674 11.081 1.00 1.19 C ATOM 1685 CZ PHE B 135 0.870 17.615 10.051 1.00 1.23 C ATOM 0 H PHE B 135 3.288 13.004 8.984 1.00 0.67 H new ATOM 0 HA PHE B 135 4.772 15.334 8.009 1.00 0.66 H new ATOM 0 HB2 PHE B 135 4.105 14.194 10.728 1.00 0.70 H new ATOM 0 HB3 PHE B 135 5.144 15.583 10.481 1.00 0.70 H new ATOM 0 HD1 PHE B 135 2.301 15.194 8.200 1.00 1.15 H new ATOM 0 HD2 PHE B 135 3.594 16.897 11.883 1.00 0.96 H new ATOM 0 HE1 PHE B 135 0.347 16.682 8.206 1.00 1.36 H new ATOM 0 HE2 PHE B 135 1.635 18.370 11.894 1.00 1.19 H new ATOM 0 HZ PHE B 135 0.007 18.265 10.054 1.00 1.23 H new ATOM 1695 N VAL B 136 6.870 14.039 7.827 1.00 0.66 N ATOM 1696 CA VAL B 136 8.130 13.395 7.833 1.00 0.68 C ATOM 1697 C VAL B 136 9.123 14.291 8.525 1.00 0.71 C ATOM 1698 O VAL B 136 9.778 15.171 7.934 1.00 0.74 O ATOM 1699 CB VAL B 136 8.588 12.915 6.431 1.00 0.73 C ATOM 1700 CG1 VAL B 136 9.533 11.730 6.567 1.00 0.75 C ATOM 1701 CG2 VAL B 136 7.381 12.538 5.566 1.00 0.74 C ATOM 0 H VAL B 136 6.711 14.691 7.059 1.00 0.66 H new ATOM 0 HA VAL B 136 8.049 12.465 8.396 1.00 0.68 H new ATOM 0 HB VAL B 136 9.116 13.733 5.941 1.00 0.73 H new ATOM 0 HG11 VAL B 136 9.849 11.401 5.577 1.00 0.75 H new ATOM 0 HG12 VAL B 136 10.407 12.026 7.147 1.00 0.75 H new ATOM 0 HG13 VAL B 136 9.021 10.913 7.075 1.00 0.75 H new ATOM 0 HG21 VAL B 136 7.725 12.204 4.587 1.00 0.74 H new ATOM 0 HG22 VAL B 136 6.824 11.735 6.048 1.00 0.74 H new ATOM 0 HG23 VAL B 136 6.734 13.407 5.446 1.00 0.74 H new ATOM 1711 N GLY B 137 9.156 14.066 9.830 1.00 0.72 N ATOM 1712 CA GLY B 137 10.051 14.802 10.712 1.00 0.76 C ATOM 1713 C GLY B 137 9.465 16.036 11.376 1.00 0.73 C ATOM 1714 O GLY B 137 9.434 17.112 10.787 1.00 0.83 O ATOM 0 H GLY B 137 8.571 13.377 10.303 1.00 0.72 H new ATOM 0 HA2 GLY B 137 10.399 14.124 11.492 1.00 0.76 H new ATOM 0 HA3 GLY B 137 10.927 15.104 10.138 1.00 0.76 H new ATOM 1718 N THR B 138 9.042 15.886 12.628 1.00 0.69 N ATOM 1719 CA THR B 138 8.510 17.007 13.401 1.00 0.70 C ATOM 1720 C THR B 138 8.030 16.548 14.776 1.00 0.73 C ATOM 1721 O THR B 138 7.922 15.350 15.035 1.00 0.77 O ATOM 1722 CB THR B 138 7.385 17.715 12.649 1.00 0.73 C ATOM 1723 OG1 THR B 138 6.644 18.550 13.527 1.00 0.78 O ATOM 1724 CG2 THR B 138 6.429 16.765 11.974 1.00 0.77 C ATOM 0 H THR B 138 9.057 14.998 13.130 1.00 0.69 H new ATOM 0 HA THR B 138 9.322 17.720 13.544 1.00 0.70 H new ATOM 0 HB THR B 138 7.875 18.306 11.875 1.00 0.73 H new ATOM 0 HG1 THR B 138 5.929 18.997 13.028 1.00 0.78 H new ATOM 0 HG21 THR B 138 5.655 17.333 11.458 1.00 0.77 H new ATOM 0 HG22 THR B 138 6.972 16.154 11.253 1.00 0.77 H new ATOM 0 HG23 THR B 138 5.968 16.120 12.722 1.00 0.77 H new ATOM 1732 N ALA B 139 7.704 17.508 15.646 1.00 0.79 N ATOM 1733 CA ALA B 139 7.193 17.196 16.979 1.00 0.88 C ATOM 1734 C ALA B 139 5.913 16.364 16.885 1.00 0.83 C ATOM 1735 O ALA B 139 5.510 15.697 17.838 1.00 0.87 O ATOM 1736 CB ALA B 139 6.915 18.483 17.745 1.00 1.04 C ATOM 0 H ALA B 139 7.786 18.506 15.449 1.00 0.79 H new ATOM 0 HA ALA B 139 7.948 16.616 17.510 1.00 0.88 H new ATOM 0 HB1 ALA B 139 6.534 18.241 18.737 1.00 1.04 H new ATOM 0 HB2 ALA B 139 7.837 19.056 17.840 1.00 1.04 H new ATOM 0 HB3 ALA B 139 6.174 19.074 17.207 1.00 1.04 H new ATOM 1742 N GLU B 140 5.345 16.354 15.686 1.00 0.79 N ATOM 1743 CA GLU B 140 4.161 15.567 15.379 1.00 0.79 C ATOM 1744 C GLU B 140 4.536 14.091 15.306 1.00 0.73 C ATOM 1745 O GLU B 140 3.676 13.214 15.286 1.00 0.79 O ATOM 1746 CB GLU B 140 3.550 16.019 14.055 1.00 0.83 C ATOM 1747 CG GLU B 140 2.054 15.778 13.962 1.00 1.27 C ATOM 1748 CD GLU B 140 1.699 14.699 12.959 1.00 1.55 C ATOM 1749 OE1 GLU B 140 2.208 13.571 13.101 1.00 1.90 O ATOM 1750 OE2 GLU B 140 0.913 14.984 12.034 1.00 2.31 O ATOM 0 H GLU B 140 5.696 16.895 14.896 1.00 0.79 H new ATOM 0 HA GLU B 140 3.422 15.714 16.167 1.00 0.79 H new ATOM 0 HB2 GLU B 140 3.747 17.082 13.918 1.00 0.83 H new ATOM 0 HB3 GLU B 140 4.045 15.495 13.238 1.00 0.83 H new ATOM 0 HG2 GLU B 140 1.673 15.496 14.944 1.00 1.27 H new ATOM 0 HG3 GLU B 140 1.557 16.707 13.682 1.00 1.27 H new ATOM 1757 N ALA B 141 5.845 13.840 15.259 1.00 0.69 N ATOM 1758 CA ALA B 141 6.377 12.505 15.177 1.00 0.70 C ATOM 1759 C ALA B 141 6.981 12.060 16.499 1.00 0.77 C ATOM 1760 O ALA B 141 7.105 10.862 16.734 1.00 0.87 O ATOM 1761 CB ALA B 141 7.428 12.424 14.078 1.00 0.75 C ATOM 0 H ALA B 141 6.558 14.569 15.278 1.00 0.69 H new ATOM 0 HA ALA B 141 5.550 11.835 14.941 1.00 0.70 H new ATOM 0 HB1 ALA B 141 7.823 11.409 14.026 1.00 0.75 H new ATOM 0 HB2 ALA B 141 6.976 12.687 13.122 1.00 0.75 H new ATOM 0 HB3 ALA B 141 8.239 13.118 14.298 1.00 0.75 H new ATOM 1767 N LEU B 142 7.380 12.999 17.375 1.00 0.80 N ATOM 1768 CA LEU B 142 7.994 12.641 18.652 1.00 0.93 C ATOM 1769 C LEU B 142 7.278 11.504 19.362 1.00 1.06 C ATOM 1770 O LEU B 142 7.923 10.638 19.946 1.00 1.24 O ATOM 1771 CB LEU B 142 8.037 13.878 19.561 1.00 0.97 C ATOM 1772 CG LEU B 142 9.278 14.769 19.409 1.00 1.01 C ATOM 1773 CD1 LEU B 142 8.937 16.223 19.710 1.00 1.11 C ATOM 1774 CD2 LEU B 142 10.392 14.290 20.326 1.00 1.14 C ATOM 0 H LEU B 142 7.286 14.002 17.218 1.00 0.80 H new ATOM 0 HA LEU B 142 9.002 12.288 18.436 1.00 0.93 H new ATOM 0 HB2 LEU B 142 7.151 14.482 19.364 1.00 0.97 H new ATOM 0 HB3 LEU B 142 7.974 13.547 20.598 1.00 0.97 H new ATOM 0 HG LEU B 142 9.621 14.701 18.377 1.00 1.01 H new ATOM 0 HD11 LEU B 142 9.830 16.837 19.596 1.00 1.11 H new ATOM 0 HD12 LEU B 142 8.169 16.568 19.017 1.00 1.11 H new ATOM 0 HD13 LEU B 142 8.567 16.306 20.732 1.00 1.11 H new ATOM 0 HD21 LEU B 142 11.264 14.933 20.206 1.00 1.14 H new ATOM 0 HD22 LEU B 142 10.053 14.329 21.361 1.00 1.14 H new ATOM 0 HD23 LEU B 142 10.659 13.265 20.070 1.00 1.14 H new ATOM 1786 N ARG B 143 5.956 11.491 19.312 1.00 1.06 N ATOM 1787 CA ARG B 143 5.205 10.424 19.954 1.00 1.26 C ATOM 1788 C ARG B 143 5.632 9.075 19.381 1.00 1.27 C ATOM 1789 O ARG B 143 5.490 8.029 20.024 1.00 1.49 O ATOM 1790 CB ARG B 143 3.701 10.627 19.763 1.00 1.35 C ATOM 1791 CG ARG B 143 3.211 12.012 20.159 1.00 1.36 C ATOM 1792 CD ARG B 143 3.129 12.166 21.668 1.00 1.50 C ATOM 1793 NE ARG B 143 4.408 12.572 22.249 1.00 1.90 N ATOM 1794 CZ ARG B 143 5.008 11.940 23.256 1.00 2.20 C ATOM 1795 NH1 ARG B 143 4.457 10.864 23.807 1.00 2.36 N ATOM 1796 NH2 ARG B 143 6.169 12.386 23.717 1.00 2.93 N ATOM 0 H ARG B 143 5.388 12.195 18.841 1.00 1.06 H new ATOM 0 HA ARG B 143 5.417 10.444 21.023 1.00 1.26 H new ATOM 0 HB2 ARG B 143 3.450 10.449 18.717 1.00 1.35 H new ATOM 0 HB3 ARG B 143 3.166 9.881 20.351 1.00 1.35 H new ATOM 0 HG2 ARG B 143 3.884 12.767 19.752 1.00 1.36 H new ATOM 0 HG3 ARG B 143 2.229 12.190 19.721 1.00 1.36 H new ATOM 0 HD2 ARG B 143 2.368 12.906 21.916 1.00 1.50 H new ATOM 0 HD3 ARG B 143 2.813 11.222 22.112 1.00 1.50 H new ATOM 0 HE ARG B 143 4.871 13.392 21.858 1.00 1.90 H new ATOM 0 HH11 ARG B 143 3.565 10.513 23.459 1.00 2.36 H new ATOM 0 HH12 ARG B 143 4.926 10.389 24.578 1.00 2.36 H new ATOM 0 HH21 ARG B 143 6.600 13.211 23.300 1.00 2.93 H new ATOM 0 HH22 ARG B 143 6.631 11.904 24.488 1.00 2.93 H new ATOM 1810 N CYS B 144 6.240 9.115 18.196 1.00 1.10 N ATOM 1811 CA CYS B 144 6.743 7.890 17.577 1.00 1.17 C ATOM 1812 C CYS B 144 7.863 7.328 18.452 1.00 1.44 C ATOM 1813 O CYS B 144 7.952 6.133 18.698 1.00 1.61 O ATOM 1814 CB CYS B 144 7.260 8.189 16.166 1.00 1.05 C ATOM 1815 SG CYS B 144 5.965 8.715 14.999 1.00 1.26 S ATOM 0 H CYS B 144 6.394 9.965 17.654 1.00 1.10 H new ATOM 0 HA CYS B 144 5.942 7.156 17.494 1.00 1.17 H new ATOM 0 HB2 CYS B 144 8.019 8.969 16.226 1.00 1.05 H new ATOM 0 HB3 CYS B 144 7.749 7.298 15.773 1.00 1.05 H new ATOM 1820 N GLN B 145 8.732 8.237 18.848 1.00 1.58 N ATOM 1821 CA GLN B 145 9.904 7.921 19.664 1.00 1.89 C ATOM 1822 C GLN B 145 9.691 6.689 20.581 1.00 2.14 C ATOM 1823 O GLN B 145 10.613 5.887 20.759 1.00 2.40 O ATOM 1824 CB GLN B 145 10.293 9.124 20.528 1.00 2.00 C ATOM 1825 CG GLN B 145 11.016 10.227 19.770 1.00 2.43 C ATOM 1826 CD GLN B 145 12.399 9.812 19.306 1.00 2.77 C ATOM 1827 OE1 GLN B 145 13.281 9.528 20.116 1.00 3.35 O ATOM 1828 NE2 GLN B 145 12.596 9.783 17.993 1.00 3.05 N ATOM 0 H GLN B 145 8.650 9.226 18.614 1.00 1.58 H new ATOM 0 HA GLN B 145 10.705 7.679 18.965 1.00 1.89 H new ATOM 0 HB2 GLN B 145 9.392 9.539 20.980 1.00 2.00 H new ATOM 0 HB3 GLN B 145 10.930 8.781 21.343 1.00 2.00 H new ATOM 0 HG2 GLN B 145 10.420 10.518 18.905 1.00 2.43 H new ATOM 0 HG3 GLN B 145 11.101 11.106 20.409 1.00 2.43 H new ATOM 0 HE21 GLN B 145 11.836 10.026 17.358 1.00 3.05 H new ATOM 0 HE22 GLN B 145 13.507 9.517 17.620 1.00 3.05 H new ATOM 1837 N GLU B 146 8.488 6.509 21.157 1.00 2.12 N ATOM 1838 CA GLU B 146 8.270 5.352 22.049 1.00 2.41 C ATOM 1839 C GLU B 146 7.832 4.118 21.267 1.00 2.40 C ATOM 1840 O GLU B 146 7.706 3.017 21.818 1.00 2.57 O ATOM 1841 CB GLU B 146 7.209 5.669 23.116 1.00 2.47 C ATOM 1842 CG GLU B 146 7.208 7.112 23.597 1.00 2.88 C ATOM 1843 CD GLU B 146 8.356 7.420 24.535 1.00 3.26 C ATOM 1844 OE1 GLU B 146 8.312 6.962 25.698 1.00 3.59 O ATOM 1845 OE2 GLU B 146 9.299 8.122 24.112 1.00 3.76 O ATOM 0 H GLU B 146 7.682 7.121 21.030 1.00 2.12 H new ATOM 0 HA GLU B 146 9.223 5.145 22.535 1.00 2.41 H new ATOM 0 HB2 GLU B 146 6.224 5.434 22.712 1.00 2.47 H new ATOM 0 HB3 GLU B 146 7.367 5.014 23.973 1.00 2.47 H new ATOM 0 HG2 GLU B 146 7.261 7.777 22.735 1.00 2.88 H new ATOM 0 HG3 GLU B 146 6.266 7.321 24.103 1.00 2.88 H new ATOM 1852 N GLU B 147 7.662 4.299 19.973 1.00 2.27 N ATOM 1853 CA GLU B 147 7.285 3.222 19.087 1.00 2.36 C ATOM 1854 C GLU B 147 8.518 2.405 18.725 1.00 2.40 C ATOM 1855 O GLU B 147 8.427 1.416 17.995 1.00 2.48 O ATOM 1856 CB GLU B 147 6.654 3.809 17.823 1.00 2.40 C ATOM 1857 CG GLU B 147 5.702 2.873 17.100 1.00 2.97 C ATOM 1858 CD GLU B 147 5.882 2.919 15.594 1.00 3.47 C ATOM 1859 OE1 GLU B 147 5.501 3.938 14.980 1.00 3.71 O ATOM 1860 OE2 GLU B 147 6.409 1.937 15.028 1.00 4.01 O ATOM 0 H GLU B 147 7.782 5.199 19.508 1.00 2.27 H new ATOM 0 HA GLU B 147 6.563 2.572 19.581 1.00 2.36 H new ATOM 0 HB2 GLU B 147 6.116 4.719 18.090 1.00 2.40 H new ATOM 0 HB3 GLU B 147 7.449 4.099 17.136 1.00 2.40 H new ATOM 0 HG2 GLU B 147 5.861 1.854 17.452 1.00 2.97 H new ATOM 0 HG3 GLU B 147 4.675 3.139 17.349 1.00 2.97 H new ATOM 1867 N ASN B 148 9.677 2.810 19.259 1.00 2.59 N ATOM 1868 CA ASN B 148 10.903 2.078 19.010 1.00 3.03 C ATOM 1869 C ASN B 148 10.798 0.683 19.609 1.00 3.37 C ATOM 1870 O ASN B 148 11.428 -0.256 19.126 1.00 3.85 O ATOM 1871 CB ASN B 148 12.113 2.823 19.580 1.00 3.19 C ATOM 1872 CG ASN B 148 13.179 3.091 18.530 1.00 3.48 C ATOM 1873 OD1 ASN B 148 13.674 2.171 17.876 1.00 3.92 O ATOM 1874 ND2 ASN B 148 13.537 4.358 18.363 1.00 3.79 N ATOM 0 H ASN B 148 9.781 3.630 19.857 1.00 2.59 H new ATOM 0 HA ASN B 148 11.046 1.992 17.933 1.00 3.03 H new ATOM 0 HB2 ASN B 148 11.784 3.770 20.009 1.00 3.19 H new ATOM 0 HB3 ASN B 148 12.546 2.239 20.392 1.00 3.19 H new ATOM 0 HD21 ASN B 148 14.247 4.600 17.672 1.00 3.79 H new ATOM 0 HD22 ASN B 148 13.102 5.089 18.925 1.00 3.79 H new ATOM 1881 N TYR B 149 9.998 0.557 20.669 1.00 3.23 N ATOM 1882 CA TYR B 149 9.812 -0.736 21.341 1.00 3.61 C ATOM 1883 C TYR B 149 8.385 -1.252 21.157 1.00 3.72 C ATOM 1884 O TYR B 149 7.745 -1.683 22.116 1.00 4.14 O ATOM 1885 CB TYR B 149 10.141 -0.597 22.830 1.00 3.69 C ATOM 1886 CG TYR B 149 10.699 -1.860 23.449 1.00 4.04 C ATOM 1887 CD1 TYR B 149 11.954 -2.339 23.090 1.00 4.26 C ATOM 1888 CD2 TYR B 149 9.968 -2.578 24.387 1.00 4.59 C ATOM 1889 CE1 TYR B 149 12.462 -3.498 23.649 1.00 4.76 C ATOM 1890 CE2 TYR B 149 10.469 -3.736 24.950 1.00 5.11 C ATOM 1891 CZ TYR B 149 11.716 -4.191 24.578 1.00 5.09 C ATOM 1892 OH TYR B 149 12.219 -5.343 25.139 1.00 5.73 O ATOM 0 H TYR B 149 9.471 1.327 21.081 1.00 3.23 H new ATOM 0 HA TYR B 149 10.489 -1.461 20.889 1.00 3.61 H new ATOM 0 HB2 TYR B 149 10.862 0.210 22.960 1.00 3.69 H new ATOM 0 HB3 TYR B 149 9.238 -0.308 23.367 1.00 3.69 H new ATOM 0 HD1 TYR B 149 12.542 -1.798 22.363 1.00 4.26 H new ATOM 0 HD2 TYR B 149 8.991 -2.225 24.681 1.00 4.59 H new ATOM 0 HE1 TYR B 149 13.438 -3.858 23.359 1.00 4.76 H new ATOM 0 HE2 TYR B 149 9.887 -4.282 25.678 1.00 5.11 H new ATOM 0 HH TYR B 149 11.569 -5.708 25.775 1.00 5.73 H new ATOM 1902 N LEU B 150 7.899 -1.221 19.916 1.00 3.60 N ATOM 1903 CA LEU B 150 6.550 -1.696 19.603 1.00 3.76 C ATOM 1904 C LEU B 150 6.512 -2.385 18.234 1.00 3.71 C ATOM 1905 O LEU B 150 6.253 -1.738 17.220 1.00 3.86 O ATOM 1906 CB LEU B 150 5.563 -0.523 19.619 1.00 4.10 C ATOM 1907 CG LEU B 150 4.887 -0.257 20.966 1.00 4.74 C ATOM 1908 CD1 LEU B 150 4.403 1.183 21.047 1.00 4.91 C ATOM 1909 CD2 LEU B 150 3.729 -1.220 21.177 1.00 5.46 C ATOM 0 H LEU B 150 8.419 -0.872 19.111 1.00 3.60 H new ATOM 0 HA LEU B 150 6.263 -2.423 20.363 1.00 3.76 H new ATOM 0 HB2 LEU B 150 6.091 0.379 19.312 1.00 4.10 H new ATOM 0 HB3 LEU B 150 4.790 -0.709 18.873 1.00 4.10 H new ATOM 0 HG LEU B 150 5.620 -0.417 21.757 1.00 4.74 H new ATOM 0 HD11 LEU B 150 3.925 1.353 22.012 1.00 4.91 H new ATOM 0 HD12 LEU B 150 5.251 1.859 20.938 1.00 4.91 H new ATOM 0 HD13 LEU B 150 3.685 1.371 20.249 1.00 4.91 H new ATOM 0 HD21 LEU B 150 3.259 -1.018 22.139 1.00 5.46 H new ATOM 0 HD22 LEU B 150 2.997 -1.089 20.380 1.00 5.46 H new ATOM 0 HD23 LEU B 150 4.101 -2.245 21.163 1.00 5.46 H new ATOM 1921 N PRO B 151 6.778 -3.706 18.179 1.00 3.97 N ATOM 1922 CA PRO B 151 6.778 -4.460 16.927 1.00 4.33 C ATOM 1923 C PRO B 151 5.419 -5.078 16.597 1.00 4.40 C ATOM 1924 O PRO B 151 5.348 -6.144 15.986 1.00 4.80 O ATOM 1925 CB PRO B 151 7.801 -5.553 17.216 1.00 4.97 C ATOM 1926 CG PRO B 151 7.645 -5.839 18.675 1.00 5.02 C ATOM 1927 CD PRO B 151 7.117 -4.574 19.324 1.00 4.41 C ATOM 0 HA PRO B 151 7.004 -3.832 16.065 1.00 4.33 H new ATOM 0 HB2 PRO B 151 7.611 -6.442 16.615 1.00 4.97 H new ATOM 0 HB3 PRO B 151 8.813 -5.221 16.983 1.00 4.97 H new ATOM 0 HG2 PRO B 151 6.957 -6.669 18.833 1.00 5.02 H new ATOM 0 HG3 PRO B 151 8.599 -6.128 19.115 1.00 5.02 H new ATOM 0 HD2 PRO B 151 6.244 -4.777 19.944 1.00 4.41 H new ATOM 0 HD3 PRO B 151 7.865 -4.112 19.968 1.00 4.41 H new ATOM 1935 N SER B 152 4.344 -4.407 17.002 1.00 4.26 N ATOM 1936 CA SER B 152 2.993 -4.901 16.744 1.00 4.43 C ATOM 1937 C SER B 152 2.439 -4.327 15.438 1.00 3.85 C ATOM 1938 O SER B 152 2.299 -3.112 15.302 1.00 3.52 O ATOM 1939 CB SER B 152 2.070 -4.528 17.909 1.00 4.91 C ATOM 1940 OG SER B 152 1.626 -5.683 18.596 1.00 5.73 O ATOM 0 H SER B 152 4.381 -3.522 17.509 1.00 4.26 H new ATOM 0 HA SER B 152 3.038 -5.986 16.649 1.00 4.43 H new ATOM 0 HB2 SER B 152 2.598 -3.871 18.600 1.00 4.91 H new ATOM 0 HB3 SER B 152 1.211 -3.972 17.533 1.00 4.91 H new ATOM 0 HG SER B 152 1.040 -5.419 19.336 1.00 5.73 H new ATOM 1946 N PRO B 153 2.117 -5.188 14.450 1.00 4.04 N ATOM 1947 CA PRO B 153 1.584 -4.736 13.162 1.00 3.79 C ATOM 1948 C PRO B 153 0.091 -4.418 13.209 1.00 2.92 C ATOM 1949 O PRO B 153 -0.737 -5.299 13.452 1.00 3.04 O ATOM 1950 CB PRO B 153 1.844 -5.931 12.249 1.00 4.60 C ATOM 1951 CG PRO B 153 1.748 -7.113 13.150 1.00 5.10 C ATOM 1952 CD PRO B 153 2.250 -6.660 14.500 1.00 4.86 C ATOM 0 HA PRO B 153 2.051 -3.807 12.834 1.00 3.79 H new ATOM 0 HB2 PRO B 153 1.110 -5.984 11.445 1.00 4.60 H new ATOM 0 HB3 PRO B 153 2.826 -5.867 11.781 1.00 4.60 H new ATOM 0 HG2 PRO B 153 0.720 -7.468 13.217 1.00 5.10 H new ATOM 0 HG3 PRO B 153 2.347 -7.941 12.770 1.00 5.10 H new ATOM 0 HD2 PRO B 153 1.660 -7.088 15.310 1.00 4.86 H new ATOM 0 HD3 PRO B 153 3.284 -6.963 14.665 1.00 4.86 H new ATOM 1960 N CYS B 154 -0.239 -3.149 12.963 1.00 2.52 N ATOM 1961 CA CYS B 154 -1.626 -2.694 12.959 1.00 1.97 C ATOM 1962 C CYS B 154 -2.279 -2.907 11.572 1.00 2.15 C ATOM 1963 O CYS B 154 -1.581 -2.932 10.559 1.00 2.65 O ATOM 1964 CB CYS B 154 -1.693 -1.216 13.348 1.00 2.30 C ATOM 1965 SG CYS B 154 -0.807 -0.120 12.197 1.00 2.68 S ATOM 0 H CYS B 154 0.442 -2.416 12.763 1.00 2.52 H new ATOM 0 HA CYS B 154 -2.179 -3.284 13.689 1.00 1.97 H new ATOM 0 HB2 CYS B 154 -2.738 -0.909 13.398 1.00 2.30 H new ATOM 0 HB3 CYS B 154 -1.276 -1.093 14.348 1.00 2.30 H new ATOM 1970 N GLN B 155 -3.618 -3.064 11.537 1.00 2.16 N ATOM 1971 CA GLN B 155 -4.373 -3.271 10.279 1.00 2.64 C ATOM 1972 C GLN B 155 -3.574 -2.998 8.993 1.00 2.19 C ATOM 1973 O GLN B 155 -3.097 -3.930 8.350 1.00 2.43 O ATOM 1974 CB GLN B 155 -5.627 -2.402 10.292 1.00 3.40 C ATOM 1975 CG GLN B 155 -6.477 -2.496 9.043 1.00 4.33 C ATOM 1976 CD GLN B 155 -6.821 -1.132 8.463 1.00 5.12 C ATOM 1977 OE1 GLN B 155 -6.294 -0.107 8.896 1.00 5.61 O ATOM 1978 NE2 GLN B 155 -7.714 -1.115 7.480 1.00 5.63 N ATOM 0 H GLN B 155 -4.205 -3.051 12.371 1.00 2.16 H new ATOM 0 HA GLN B 155 -4.621 -4.332 10.253 1.00 2.64 H new ATOM 0 HB2 GLN B 155 -6.237 -2.681 11.151 1.00 3.40 H new ATOM 0 HB3 GLN B 155 -5.331 -1.363 10.436 1.00 3.40 H new ATOM 0 HG2 GLN B 155 -5.948 -3.083 8.292 1.00 4.33 H new ATOM 0 HG3 GLN B 155 -7.398 -3.031 9.275 1.00 4.33 H new ATOM 0 HE21 GLN B 155 -8.127 -1.988 7.151 1.00 5.63 H new ATOM 0 HE22 GLN B 155 -7.987 -0.229 7.054 1.00 5.63 H new ATOM 1987 N SER B 156 -3.469 -1.717 8.623 1.00 2.21 N ATOM 1988 CA SER B 156 -2.764 -1.271 7.400 1.00 2.03 C ATOM 1989 C SER B 156 -3.699 -1.293 6.170 1.00 1.77 C ATOM 1990 O SER B 156 -4.507 -0.382 5.994 1.00 2.17 O ATOM 1991 CB SER B 156 -1.485 -2.089 7.140 1.00 2.58 C ATOM 1992 OG SER B 156 -0.328 -1.320 7.418 1.00 3.11 O ATOM 0 H SER B 156 -3.871 -0.950 9.162 1.00 2.21 H new ATOM 0 HA SER B 156 -2.458 -0.239 7.569 1.00 2.03 H new ATOM 0 HB2 SER B 156 -1.489 -2.985 7.761 1.00 2.58 H new ATOM 0 HB3 SER B 156 -1.465 -2.421 6.102 1.00 2.58 H new ATOM 0 HG SER B 156 0.472 -1.860 7.248 1.00 3.11 H new ATOM 1998 N GLY B 157 -3.607 -2.333 5.333 1.00 1.55 N ATOM 1999 CA GLY B 157 -4.475 -2.423 4.168 1.00 1.82 C ATOM 2000 C GLY B 157 -3.736 -2.257 2.861 1.00 1.65 C ATOM 2001 O GLY B 157 -3.666 -3.192 2.064 1.00 2.07 O ATOM 0 H GLY B 157 -2.952 -3.107 5.442 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -4.979 -3.389 4.173 1.00 1.82 H new ATOM 0 HA3 GLY B 157 -5.249 -1.659 4.240 1.00 1.82 H new ATOM 2005 N GLN B 158 -3.155 -1.085 2.637 1.00 1.33 N ATOM 2006 CA GLN B 158 -2.407 -0.856 1.436 1.00 1.42 C ATOM 2007 C GLN B 158 -0.984 -0.621 1.820 1.00 1.04 C ATOM 2008 O GLN B 158 -0.654 0.389 2.426 1.00 0.95 O ATOM 2009 CB GLN B 158 -2.922 0.347 0.649 1.00 1.93 C ATOM 2010 CG GLN B 158 -4.178 0.067 -0.156 1.00 2.76 C ATOM 2011 CD GLN B 158 -4.262 0.912 -1.411 1.00 3.57 C ATOM 2012 OE1 GLN B 158 -5.002 1.894 -1.464 1.00 3.89 O ATOM 2013 NE2 GLN B 158 -3.498 0.537 -2.431 1.00 4.34 N ATOM 0 H GLN B 158 -3.194 -0.290 3.275 1.00 1.33 H new ATOM 0 HA GLN B 158 -2.512 -1.729 0.792 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -3.122 1.163 1.343 1.00 1.93 H new ATOM 0 HB3 GLN B 158 -2.138 0.688 -0.027 1.00 1.93 H new ATOM 0 HG2 GLN B 158 -4.203 -0.988 -0.430 1.00 2.76 H new ATOM 0 HG3 GLN B 158 -5.054 0.256 0.465 1.00 2.76 H new ATOM 0 HE21 GLN B 158 -2.899 -0.284 -2.345 1.00 4.34 H new ATOM 0 HE22 GLN B 158 -3.511 1.070 -3.301 1.00 4.34 H new ATOM 2022 N LYS B 159 -0.152 -1.578 1.535 1.00 1.15 N ATOM 2023 CA LYS B 159 1.239 -1.456 1.868 1.00 1.13 C ATOM 2024 C LYS B 159 2.015 -0.823 0.700 1.00 0.95 C ATOM 2025 O LYS B 159 1.936 0.378 0.528 1.00 0.91 O ATOM 2026 CB LYS B 159 1.784 -2.783 2.363 1.00 1.54 C ATOM 2027 CG LYS B 159 1.860 -2.865 3.882 1.00 1.91 C ATOM 2028 CD LYS B 159 2.307 -4.241 4.346 1.00 2.18 C ATOM 2029 CE LYS B 159 1.148 -5.222 4.381 1.00 2.81 C ATOM 2030 NZ LYS B 159 0.811 -5.744 3.026 1.00 3.54 N ATOM 0 H LYS B 159 -0.410 -2.451 1.074 1.00 1.15 H new ATOM 0 HA LYS B 159 1.371 -0.768 2.703 1.00 1.13 H new ATOM 0 HB2 LYS B 159 1.152 -3.590 1.992 1.00 1.54 H new ATOM 0 HB3 LYS B 159 2.779 -2.939 1.946 1.00 1.54 H new ATOM 0 HG2 LYS B 159 2.555 -2.112 4.253 1.00 1.91 H new ATOM 0 HG3 LYS B 159 0.883 -2.636 4.309 1.00 1.91 H new ATOM 0 HD2 LYS B 159 3.083 -4.617 3.679 1.00 2.18 H new ATOM 0 HD3 LYS B 159 2.750 -4.165 5.339 1.00 2.18 H new ATOM 0 HE2 LYS B 159 1.399 -6.055 5.037 1.00 2.81 H new ATOM 0 HE3 LYS B 159 0.273 -4.733 4.808 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 0.571 -6.754 3.093 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 -0.002 -5.220 2.644 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 1.628 -5.623 2.394 1.00 3.54 H new ATOM 2044 N PRO B 160 2.799 -1.554 -0.126 1.00 1.05 N ATOM 2045 CA PRO B 160 3.532 -0.896 -1.210 1.00 1.14 C ATOM 2046 C PRO B 160 2.670 -0.408 -2.371 1.00 1.10 C ATOM 2047 O PRO B 160 1.781 -1.108 -2.860 1.00 1.23 O ATOM 2048 CB PRO B 160 4.509 -1.962 -1.693 1.00 1.46 C ATOM 2049 CG PRO B 160 3.853 -3.254 -1.348 1.00 1.51 C ATOM 2050 CD PRO B 160 3.079 -3.004 -0.078 1.00 1.27 C ATOM 0 HA PRO B 160 3.999 0.016 -0.839 1.00 1.14 H new ATOM 0 HB2 PRO B 160 4.686 -1.881 -2.765 1.00 1.46 H new ATOM 0 HB3 PRO B 160 5.477 -1.865 -1.202 1.00 1.46 H new ATOM 0 HG2 PRO B 160 3.191 -3.581 -2.150 1.00 1.51 H new ATOM 0 HG3 PRO B 160 4.593 -4.041 -1.205 1.00 1.51 H new ATOM 0 HD2 PRO B 160 2.160 -3.590 -0.046 1.00 1.27 H new ATOM 0 HD3 PRO B 160 3.659 -3.272 0.805 1.00 1.27 H new ATOM 2058 N CYS B 161 3.007 0.797 -2.832 1.00 1.09 N ATOM 2059 CA CYS B 161 2.349 1.423 -3.974 1.00 1.15 C ATOM 2060 C CYS B 161 3.366 2.191 -4.804 1.00 1.37 C ATOM 2061 O CYS B 161 4.333 2.732 -4.265 1.00 1.58 O ATOM 2062 CB CYS B 161 1.201 2.364 -3.552 1.00 1.32 C ATOM 2063 SG CYS B 161 1.627 3.696 -2.351 1.00 1.58 S ATOM 0 H CYS B 161 3.747 1.366 -2.421 1.00 1.09 H new ATOM 0 HA CYS B 161 1.910 0.623 -4.570 1.00 1.15 H new ATOM 0 HB2 CYS B 161 0.796 2.831 -4.450 1.00 1.32 H new ATOM 0 HB3 CYS B 161 0.404 1.758 -3.121 1.00 1.32 H new ATOM 2068 N GLY B 162 3.162 2.231 -6.118 1.00 1.57 N ATOM 2069 CA GLY B 162 4.095 2.949 -6.959 1.00 1.88 C ATOM 2070 C GLY B 162 5.448 2.264 -7.050 1.00 2.05 C ATOM 2071 O GLY B 162 5.595 1.098 -6.698 1.00 2.37 O ATOM 0 H GLY B 162 2.383 1.788 -6.605 1.00 1.57 H new ATOM 0 HA2 GLY B 162 3.674 3.048 -7.960 1.00 1.88 H new ATOM 0 HA3 GLY B 162 4.228 3.958 -6.568 1.00 1.88 H new ATOM 2075 N SER B 163 6.425 3.005 -7.535 1.00 2.40 N ATOM 2076 CA SER B 163 7.782 2.547 -7.683 1.00 2.93 C ATOM 2077 C SER B 163 8.552 2.520 -6.331 1.00 2.71 C ATOM 2078 O SER B 163 9.712 2.920 -6.261 1.00 3.29 O ATOM 2079 CB SER B 163 8.524 3.454 -8.670 1.00 3.81 C ATOM 2080 OG SER B 163 7.695 3.838 -9.761 1.00 4.07 O ATOM 0 H SER B 163 6.287 3.967 -7.844 1.00 2.40 H new ATOM 0 HA SER B 163 7.740 1.524 -8.058 1.00 2.93 H new ATOM 0 HB2 SER B 163 8.877 4.345 -8.150 1.00 3.81 H new ATOM 0 HB3 SER B 163 9.405 2.936 -9.048 1.00 3.81 H new ATOM 0 HG SER B 163 8.201 4.417 -10.368 1.00 4.07 H new ATOM 2086 N GLY B 164 7.940 1.878 -5.330 1.00 2.12 N ATOM 2087 CA GLY B 164 8.615 1.629 -4.053 1.00 2.11 C ATOM 2088 C GLY B 164 8.133 2.456 -2.876 1.00 1.92 C ATOM 2089 O GLY B 164 8.956 3.045 -2.171 1.00 2.20 O ATOM 0 H GLY B 164 6.985 1.524 -5.379 1.00 2.12 H new ATOM 0 HA2 GLY B 164 8.499 0.574 -3.803 1.00 2.11 H new ATOM 0 HA3 GLY B 164 9.682 1.810 -4.187 1.00 2.11 H new ATOM 2093 N GLY B 165 6.826 2.524 -2.643 1.00 1.61 N ATOM 2094 CA GLY B 165 6.334 3.305 -1.500 1.00 1.60 C ATOM 2095 C GLY B 165 5.025 2.784 -0.924 1.00 1.42 C ATOM 2096 O GLY B 165 4.058 2.648 -1.660 1.00 1.62 O ATOM 0 H GLY B 165 6.106 2.068 -3.204 1.00 1.61 H new ATOM 0 HA2 GLY B 165 7.092 3.304 -0.717 1.00 1.60 H new ATOM 0 HA3 GLY B 165 6.198 4.341 -1.810 1.00 1.60 H new ATOM 2100 N ARG B 166 4.978 2.446 0.373 1.00 1.16 N ATOM 2101 CA ARG B 166 3.737 1.901 0.971 1.00 1.03 C ATOM 2102 C ARG B 166 2.769 2.996 1.408 1.00 0.95 C ATOM 2103 O ARG B 166 3.188 4.109 1.710 1.00 1.04 O ATOM 2104 CB ARG B 166 4.008 0.926 2.137 1.00 1.08 C ATOM 2105 CG ARG B 166 5.376 1.049 2.773 1.00 1.23 C ATOM 2106 CD ARG B 166 6.461 0.415 1.916 1.00 1.39 C ATOM 2107 NE ARG B 166 6.471 -1.041 2.024 1.00 1.79 N ATOM 2108 CZ ARG B 166 7.567 -1.767 2.242 1.00 2.31 C ATOM 2109 NH1 ARG B 166 8.753 -1.183 2.382 1.00 2.54 N ATOM 2110 NH2 ARG B 166 7.479 -3.088 2.316 1.00 3.05 N ATOM 0 H ARG B 166 5.761 2.535 1.020 1.00 1.16 H new ATOM 0 HA ARG B 166 3.263 1.332 0.172 1.00 1.03 H new ATOM 0 HB2 ARG B 166 3.252 1.084 2.906 1.00 1.08 H new ATOM 0 HB3 ARG B 166 3.884 -0.094 1.773 1.00 1.08 H new ATOM 0 HG2 ARG B 166 5.609 2.102 2.932 1.00 1.23 H new ATOM 0 HG3 ARG B 166 5.364 0.573 3.754 1.00 1.23 H new ATOM 0 HD2 ARG B 166 6.311 0.699 0.874 1.00 1.39 H new ATOM 0 HD3 ARG B 166 7.433 0.806 2.216 1.00 1.39 H new ATOM 0 HE ARG B 166 5.583 -1.534 1.926 1.00 1.79 H new ATOM 0 HH11 ARG B 166 8.832 -0.168 2.323 1.00 2.54 H new ATOM 0 HH12 ARG B 166 9.584 -1.750 2.549 1.00 2.54 H new ATOM 0 HH21 ARG B 166 6.574 -3.546 2.206 1.00 3.05 H new ATOM 0 HH22 ARG B 166 8.316 -3.646 2.483 1.00 3.05 H new ATOM 2124 N CYS B 167 1.450 2.700 1.433 1.00 0.87 N ATOM 2125 CA CYS B 167 0.509 3.683 1.823 1.00 0.88 C ATOM 2126 C CYS B 167 0.769 3.997 3.265 1.00 0.88 C ATOM 2127 O CYS B 167 0.391 3.248 4.167 1.00 0.93 O ATOM 2128 CB CYS B 167 -0.904 3.111 1.605 1.00 0.94 C ATOM 2129 SG CYS B 167 -2.285 4.284 1.722 1.00 1.56 S ATOM 0 H CYS B 167 1.053 1.794 1.186 1.00 0.87 H new ATOM 0 HA CYS B 167 0.594 4.600 1.239 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -0.935 2.646 0.620 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -1.067 2.319 2.336 1.00 0.94 H new ATOM 2134 N ALA B 168 1.402 5.121 3.473 1.00 0.90 N ATOM 2135 CA ALA B 168 1.718 5.541 4.796 1.00 0.95 C ATOM 2136 C ALA B 168 0.506 6.162 5.411 1.00 0.96 C ATOM 2137 O ALA B 168 0.283 6.032 6.618 1.00 1.04 O ATOM 2138 CB ALA B 168 2.886 6.515 4.797 1.00 0.96 C ATOM 0 H ALA B 168 1.706 5.758 2.736 1.00 0.90 H new ATOM 0 HA ALA B 168 2.020 4.675 5.385 1.00 0.95 H new ATOM 0 HB1 ALA B 168 3.105 6.819 5.821 1.00 0.96 H new ATOM 0 HB2 ALA B 168 3.763 6.032 4.366 1.00 0.96 H new ATOM 0 HB3 ALA B 168 2.628 7.393 4.205 1.00 0.96 H new ATOM 2144 N ALA B 169 -0.294 6.861 4.599 1.00 0.90 N ATOM 2145 CA ALA B 169 -1.508 7.524 5.097 1.00 0.94 C ATOM 2146 C ALA B 169 -2.308 8.025 3.897 1.00 0.91 C ATOM 2147 O ALA B 169 -1.770 8.059 2.791 1.00 0.87 O ATOM 2148 CB ALA B 169 -1.194 8.655 6.030 1.00 0.98 C ATOM 0 H ALA B 169 -0.126 6.983 3.600 1.00 0.90 H new ATOM 0 HA ALA B 169 -2.091 6.803 5.670 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -2.122 9.114 6.371 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -0.640 8.275 6.888 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -0.592 9.399 5.510 1.00 0.98 H new ATOM 2154 N ALA B 170 -3.580 8.394 4.068 1.00 0.98 N ATOM 2155 CA ALA B 170 -4.349 8.866 2.918 1.00 1.00 C ATOM 2156 C ALA B 170 -3.494 9.765 2.033 1.00 1.04 C ATOM 2157 O ALA B 170 -3.389 10.976 2.233 1.00 1.25 O ATOM 2158 CB ALA B 170 -5.642 9.575 3.296 1.00 1.15 C ATOM 0 H ALA B 170 -4.082 8.377 4.956 1.00 0.98 H new ATOM 0 HA ALA B 170 -4.639 7.973 2.364 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -6.158 9.897 2.392 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -6.281 8.892 3.855 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -5.413 10.445 3.912 1.00 1.15 H new ATOM 2164 N GLY B 171 -2.947 9.131 1.023 1.00 1.15 N ATOM 2165 CA GLY B 171 -2.153 9.779 0.030 1.00 1.28 C ATOM 2166 C GLY B 171 -0.648 9.800 0.237 1.00 1.22 C ATOM 2167 O GLY B 171 0.010 10.523 -0.519 1.00 1.29 O ATOM 0 H GLY B 171 -3.050 8.127 0.874 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -2.354 9.298 -0.927 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -2.495 10.811 -0.053 1.00 1.28 H new ATOM 2171 N ILE B 172 -0.003 9.053 1.180 1.00 1.13 N ATOM 2172 CA ILE B 172 1.459 9.082 1.315 1.00 1.09 C ATOM 2173 C ILE B 172 2.003 7.749 0.840 1.00 1.02 C ATOM 2174 O ILE B 172 1.871 6.741 1.539 1.00 1.34 O ATOM 2175 CB ILE B 172 1.866 9.215 2.808 1.00 1.53 C ATOM 2176 CG1 ILE B 172 1.012 10.259 3.491 1.00 1.09 C ATOM 2177 CG2 ILE B 172 3.339 9.574 2.936 1.00 2.27 C ATOM 2178 CD1 ILE B 172 0.727 11.400 2.581 1.00 0.91 C ATOM 0 H ILE B 172 -0.476 8.437 1.841 1.00 1.13 H new ATOM 0 HA ILE B 172 1.846 9.923 0.740 1.00 1.09 H new ATOM 0 HB ILE B 172 1.704 8.253 3.295 1.00 1.53 H new ATOM 0 HG12 ILE B 172 0.075 9.809 3.818 1.00 1.09 H new ATOM 0 HG13 ILE B 172 1.521 10.621 4.384 1.00 1.09 H new ATOM 0 HG21 ILE B 172 3.602 9.662 3.990 1.00 2.27 H new ATOM 0 HG22 ILE B 172 3.945 8.794 2.475 1.00 2.27 H new ATOM 0 HG23 ILE B 172 3.527 10.523 2.435 1.00 2.27 H new ATOM 0 HD11 ILE B 172 0.111 12.134 3.100 1.00 0.91 H new ATOM 0 HD12 ILE B 172 1.665 11.864 2.275 1.00 0.91 H new ATOM 0 HD13 ILE B 172 0.196 11.039 1.700 1.00 0.91 H new ATOM 2190 N CYS B 173 2.575 7.719 -0.337 1.00 0.81 N ATOM 2191 CA CYS B 173 3.102 6.476 -0.866 1.00 1.04 C ATOM 2192 C CYS B 173 4.546 6.315 -0.417 1.00 1.06 C ATOM 2193 O CYS B 173 5.460 6.839 -1.049 1.00 1.19 O ATOM 2194 CB CYS B 173 2.975 6.492 -2.394 1.00 1.17 C ATOM 2195 SG CYS B 173 3.028 4.872 -3.255 1.00 1.94 S ATOM 0 H CYS B 173 2.690 8.529 -0.946 1.00 0.81 H new ATOM 0 HA CYS B 173 2.538 5.623 -0.489 1.00 1.04 H new ATOM 0 HB2 CYS B 173 2.035 6.980 -2.650 1.00 1.17 H new ATOM 0 HB3 CYS B 173 3.776 7.114 -2.793 1.00 1.17 H new ATOM 2200 N CYS B 174 4.749 5.633 0.717 1.00 0.97 N ATOM 2201 CA CYS B 174 6.100 5.482 1.248 1.00 0.99 C ATOM 2202 C CYS B 174 6.275 4.385 2.291 1.00 1.16 C ATOM 2203 O CYS B 174 5.319 3.744 2.713 1.00 1.35 O ATOM 2204 CB CYS B 174 6.530 6.787 1.854 1.00 1.12 C ATOM 2205 SG CYS B 174 5.556 7.344 3.294 1.00 1.26 S ATOM 0 H CYS B 174 4.014 5.190 1.268 1.00 0.97 H new ATOM 0 HA CYS B 174 6.715 5.186 0.398 1.00 0.99 H new ATOM 0 HB2 CYS B 174 7.574 6.701 2.155 1.00 1.12 H new ATOM 0 HB3 CYS B 174 6.482 7.558 1.085 1.00 1.12 H new ATOM 2210 N SER B 175 7.543 4.214 2.703 1.00 1.15 N ATOM 2211 CA SER B 175 7.964 3.221 3.702 1.00 1.38 C ATOM 2212 C SER B 175 8.369 3.914 5.008 1.00 1.29 C ATOM 2213 O SER B 175 8.284 5.138 5.104 1.00 1.12 O ATOM 2214 CB SER B 175 9.133 2.396 3.143 1.00 1.48 C ATOM 2215 OG SER B 175 10.226 3.221 2.790 1.00 2.00 O ATOM 0 H SER B 175 8.317 4.773 2.344 1.00 1.15 H new ATOM 0 HA SER B 175 7.129 2.554 3.918 1.00 1.38 H new ATOM 0 HB2 SER B 175 9.452 1.665 3.886 1.00 1.48 H new ATOM 0 HB3 SER B 175 8.800 1.837 2.268 1.00 1.48 H new ATOM 0 HG SER B 175 10.954 2.667 2.439 1.00 2.00 H new ATOM 2221 N PRO B 176 8.810 3.158 6.042 1.00 1.49 N ATOM 2222 CA PRO B 176 9.208 3.752 7.322 1.00 1.45 C ATOM 2223 C PRO B 176 10.580 4.423 7.259 1.00 1.20 C ATOM 2224 O PRO B 176 11.299 4.480 8.257 1.00 1.25 O ATOM 2225 CB PRO B 176 9.246 2.551 8.267 1.00 1.77 C ATOM 2226 CG PRO B 176 9.595 1.404 7.389 1.00 1.90 C ATOM 2227 CD PRO B 176 8.951 1.685 6.060 1.00 1.81 C ATOM 0 HA PRO B 176 8.524 4.542 7.633 1.00 1.45 H new ATOM 0 HB2 PRO B 176 9.986 2.688 9.055 1.00 1.77 H new ATOM 0 HB3 PRO B 176 8.284 2.399 8.756 1.00 1.77 H new ATOM 0 HG2 PRO B 176 10.676 1.307 7.286 1.00 1.90 H new ATOM 0 HG3 PRO B 176 9.230 0.467 7.809 1.00 1.90 H new ATOM 0 HD2 PRO B 176 9.568 1.332 5.234 1.00 1.81 H new ATOM 0 HD3 PRO B 176 7.984 1.189 5.971 1.00 1.81 H new ATOM 2235 N ASP B 177 10.926 4.939 6.081 1.00 1.01 N ATOM 2236 CA ASP B 177 12.195 5.627 5.871 1.00 0.92 C ATOM 2237 C ASP B 177 11.982 6.840 4.963 1.00 0.83 C ATOM 2238 O ASP B 177 12.389 7.956 5.294 1.00 0.90 O ATOM 2239 CB ASP B 177 13.228 4.676 5.262 1.00 1.18 C ATOM 2240 CG ASP B 177 14.649 5.067 5.618 1.00 1.96 C ATOM 2241 OD1 ASP B 177 14.985 5.048 6.822 1.00 2.51 O ATOM 2242 OD2 ASP B 177 15.425 5.392 4.696 1.00 2.72 O ATOM 0 H ASP B 177 10.337 4.892 5.250 1.00 1.01 H new ATOM 0 HA ASP B 177 12.575 5.968 6.834 1.00 0.92 H new ATOM 0 HB2 ASP B 177 13.034 3.661 5.610 1.00 1.18 H new ATOM 0 HB3 ASP B 177 13.116 4.668 4.178 1.00 1.18 H new ATOM 2247 N GLY B 178 11.332 6.607 3.821 1.00 0.89 N ATOM 2248 CA GLY B 178 11.051 7.677 2.892 1.00 0.87 C ATOM 2249 C GLY B 178 9.562 7.859 2.661 1.00 0.85 C ATOM 2250 O GLY B 178 8.767 7.114 3.231 1.00 0.99 O ATOM 0 H GLY B 178 10.997 5.689 3.528 1.00 0.89 H new ATOM 0 HA2 GLY B 178 11.474 8.607 3.272 1.00 0.87 H new ATOM 0 HA3 GLY B 178 11.542 7.469 1.941 1.00 0.87 H new ATOM 2254 N CYS B 179 9.181 8.831 1.811 1.00 0.78 N ATOM 2255 CA CYS B 179 7.765 9.069 1.511 1.00 0.79 C ATOM 2256 C CYS B 179 7.533 9.634 0.104 1.00 0.77 C ATOM 2257 O CYS B 179 8.459 10.141 -0.521 1.00 0.88 O ATOM 2258 CB CYS B 179 7.100 9.924 2.583 1.00 0.92 C ATOM 2259 SG CYS B 179 6.557 8.963 4.040 1.00 1.34 S ATOM 0 H CYS B 179 9.828 9.454 1.328 1.00 0.78 H new ATOM 0 HA CYS B 179 7.284 8.091 1.523 1.00 0.79 H new ATOM 0 HB2 CYS B 179 7.797 10.697 2.906 1.00 0.92 H new ATOM 0 HB3 CYS B 179 6.238 10.432 2.150 1.00 0.92 H new ATOM 2264 N HIS B 180 6.292 9.530 -0.427 1.00 0.70 N ATOM 2265 CA HIS B 180 6.037 10.023 -1.781 1.00 0.75 C ATOM 2266 C HIS B 180 4.588 10.461 -1.966 1.00 0.69 C ATOM 2267 O HIS B 180 3.663 9.800 -1.497 1.00 0.66 O ATOM 2268 CB HIS B 180 6.375 8.927 -2.803 1.00 0.89 C ATOM 2269 CG HIS B 180 7.836 8.790 -3.094 1.00 0.94 C ATOM 2270 ND1 HIS B 180 8.682 7.988 -2.357 1.00 1.60 N ATOM 2271 CD2 HIS B 180 8.601 9.361 -4.047 1.00 1.70 C ATOM 2272 CE1 HIS B 180 9.904 8.078 -2.847 1.00 2.03 C ATOM 2273 NE2 HIS B 180 9.881 8.902 -3.873 1.00 2.10 N ATOM 0 H HIS B 180 5.486 9.124 0.048 1.00 0.70 H new ATOM 0 HA HIS B 180 6.672 10.895 -1.939 1.00 0.75 H new ATOM 0 HB2 HIS B 180 5.998 7.973 -2.434 1.00 0.89 H new ATOM 0 HB3 HIS B 180 5.849 9.139 -3.734 1.00 0.89 H new ATOM 0 HD2 HIS B 180 8.267 10.052 -4.807 1.00 1.70 H new ATOM 0 HE1 HIS B 180 10.775 7.563 -2.470 1.00 2.03 H new ATOM 0 HE2 HIS B 180 10.685 9.158 -4.446 1.00 2.10 H new ATOM 2282 N GLU B 181 4.400 11.576 -2.668 1.00 0.75 N ATOM 2283 CA GLU B 181 3.064 12.085 -2.934 1.00 0.77 C ATOM 2284 C GLU B 181 2.303 11.114 -3.824 1.00 0.73 C ATOM 2285 O GLU B 181 2.737 10.813 -4.934 1.00 0.94 O ATOM 2286 CB GLU B 181 3.146 13.458 -3.604 1.00 0.93 C ATOM 2287 CG GLU B 181 3.844 14.509 -2.757 1.00 1.69 C ATOM 2288 CD GLU B 181 4.340 15.682 -3.579 1.00 2.34 C ATOM 2289 OE1 GLU B 181 5.054 15.450 -4.574 1.00 3.06 O ATOM 2290 OE2 GLU B 181 4.005 16.834 -3.233 1.00 2.69 O ATOM 0 H GLU B 181 5.154 12.140 -3.060 1.00 0.75 H new ATOM 0 HA GLU B 181 2.532 12.187 -1.988 1.00 0.77 H new ATOM 0 HB2 GLU B 181 3.674 13.359 -4.552 1.00 0.93 H new ATOM 0 HB3 GLU B 181 2.137 13.801 -3.835 1.00 0.93 H new ATOM 0 HG2 GLU B 181 3.156 14.870 -1.993 1.00 1.69 H new ATOM 0 HG3 GLU B 181 4.686 14.052 -2.238 1.00 1.69 H new ATOM 2297 N ASP B 182 1.182 10.607 -3.328 1.00 0.77 N ATOM 2298 CA ASP B 182 0.384 9.652 -4.092 1.00 0.79 C ATOM 2299 C ASP B 182 -1.114 9.880 -3.842 1.00 0.97 C ATOM 2300 O ASP B 182 -1.638 9.485 -2.804 1.00 1.22 O ATOM 2301 CB ASP B 182 0.848 8.241 -3.704 1.00 0.90 C ATOM 2302 CG ASP B 182 -0.249 7.196 -3.632 1.00 1.39 C ATOM 2303 OD1 ASP B 182 -0.681 6.723 -4.701 1.00 1.88 O ATOM 2304 OD2 ASP B 182 -0.648 6.830 -2.507 1.00 2.06 O ATOM 0 H ASP B 182 0.806 10.837 -2.408 1.00 0.77 H new ATOM 0 HA ASP B 182 0.529 9.785 -5.164 1.00 0.79 H new ATOM 0 HB2 ASP B 182 1.595 7.911 -4.426 1.00 0.90 H new ATOM 0 HB3 ASP B 182 1.342 8.293 -2.734 1.00 0.90 H new ATOM 2309 N PRO B 183 -1.820 10.539 -4.793 1.00 1.15 N ATOM 2310 CA PRO B 183 -3.258 10.846 -4.665 1.00 1.41 C ATOM 2311 C PRO B 183 -4.156 9.609 -4.657 1.00 1.28 C ATOM 2312 O PRO B 183 -5.363 9.716 -4.432 1.00 1.41 O ATOM 2313 CB PRO B 183 -3.563 11.697 -5.909 1.00 1.79 C ATOM 2314 CG PRO B 183 -2.236 12.146 -6.417 1.00 1.91 C ATOM 2315 CD PRO B 183 -1.272 11.054 -6.060 1.00 1.41 C ATOM 0 HA PRO B 183 -3.459 11.341 -3.715 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -4.095 11.116 -6.662 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -4.196 12.548 -5.657 1.00 1.79 H new ATOM 0 HG2 PRO B 183 -2.264 12.307 -7.495 1.00 1.91 H new ATOM 0 HG3 PRO B 183 -1.942 13.092 -5.961 1.00 1.91 H new ATOM 0 HD2 PRO B 183 -1.233 10.281 -6.828 1.00 1.41 H new ATOM 0 HD3 PRO B 183 -0.258 11.433 -5.938 1.00 1.41 H new ATOM 2323 N ALA B 184 -3.576 8.448 -4.934 1.00 1.13 N ATOM 2324 CA ALA B 184 -4.335 7.206 -4.975 1.00 1.18 C ATOM 2325 C ALA B 184 -4.849 6.781 -3.600 1.00 1.22 C ATOM 2326 O ALA B 184 -5.958 6.269 -3.490 1.00 1.56 O ATOM 2327 CB ALA B 184 -3.493 6.097 -5.583 1.00 1.21 C ATOM 0 H ALA B 184 -2.581 8.341 -5.134 1.00 1.13 H new ATOM 0 HA ALA B 184 -5.209 7.389 -5.599 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -4.071 5.173 -5.608 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -3.205 6.373 -6.598 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -2.597 5.948 -4.980 1.00 1.21 H new ATOM 2333 N CYS B 185 -4.034 6.968 -2.565 1.00 1.05 N ATOM 2334 CA CYS B 185 -4.409 6.573 -1.199 1.00 1.23 C ATOM 2335 C CYS B 185 -5.019 7.728 -0.399 1.00 1.50 C ATOM 2336 O CYS B 185 -5.425 7.534 0.742 1.00 1.94 O ATOM 2337 CB CYS B 185 -3.171 6.080 -0.438 1.00 1.19 C ATOM 2338 SG CYS B 185 -3.067 4.298 -0.154 1.00 1.46 S ATOM 0 H CYS B 185 -3.109 7.390 -2.640 1.00 1.05 H new ATOM 0 HA CYS B 185 -5.155 5.785 -1.299 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -2.284 6.392 -0.989 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -3.140 6.583 0.528 1.00 1.19 H new ATOM 2343 N ASP B 186 -5.044 8.924 -0.975 1.00 1.54 N ATOM 2344 CA ASP B 186 -5.554 10.108 -0.268 1.00 1.92 C ATOM 2345 C ASP B 186 -7.062 10.055 -0.045 1.00 1.82 C ATOM 2346 O ASP B 186 -7.543 10.106 1.084 1.00 2.28 O ATOM 2347 CB ASP B 186 -5.174 11.383 -1.032 1.00 2.44 C ATOM 2348 CG ASP B 186 -4.865 12.545 -0.116 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -5.801 13.039 0.547 1.00 3.49 O ATOM 2350 OD2 ASP B 186 -3.694 12.973 -0.073 1.00 3.61 O ATOM 0 H ASP B 186 -4.720 9.106 -1.925 1.00 1.54 H new ATOM 0 HA ASP B 186 -5.088 10.119 0.717 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -4.306 11.180 -1.659 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -5.991 11.659 -1.698 1.00 2.44 H new ATOM 2355 N PRO B 187 -7.839 9.995 -1.116 1.00 1.73 N ATOM 2356 CA PRO B 187 -9.285 9.968 -1.054 1.00 2.05 C ATOM 2357 C PRO B 187 -9.852 8.595 -1.293 1.00 2.17 C ATOM 2358 O PRO B 187 -9.178 7.574 -1.151 1.00 2.31 O ATOM 2359 CB PRO B 187 -9.637 10.886 -2.222 1.00 2.47 C ATOM 2360 CG PRO B 187 -8.484 10.799 -3.182 1.00 2.58 C ATOM 2361 CD PRO B 187 -7.404 9.987 -2.511 1.00 1.99 C ATOM 0 HA PRO B 187 -9.679 10.262 -0.081 1.00 2.05 H new ATOM 0 HB2 PRO B 187 -10.566 10.572 -2.699 1.00 2.47 H new ATOM 0 HB3 PRO B 187 -9.784 11.911 -1.882 1.00 2.47 H new ATOM 0 HG2 PRO B 187 -8.795 10.329 -4.115 1.00 2.58 H new ATOM 0 HG3 PRO B 187 -8.117 11.794 -3.433 1.00 2.58 H new ATOM 0 HD2 PRO B 187 -7.344 8.976 -2.914 1.00 1.99 H new ATOM 0 HD3 PRO B 187 -6.419 10.438 -2.634 1.00 1.99 H new ATOM 2369 N GLU B 188 -11.101 8.613 -1.678 1.00 2.54 N ATOM 2370 CA GLU B 188 -11.824 7.432 -2.003 1.00 3.18 C ATOM 2371 C GLU B 188 -11.143 6.710 -3.176 1.00 3.47 C ATOM 2372 O GLU B 188 -11.485 6.816 -4.351 1.00 4.08 O ATOM 2373 CB GLU B 188 -13.296 7.726 -2.289 1.00 3.61 C ATOM 2374 CG GLU B 188 -13.535 8.759 -3.372 1.00 3.52 C ATOM 2375 CD GLU B 188 -15.014 8.963 -3.643 1.00 4.20 C ATOM 2376 OE1 GLU B 188 -15.616 8.104 -4.322 1.00 4.57 O ATOM 2377 OE2 GLU B 188 -15.572 9.975 -3.169 1.00 4.70 O ATOM 0 H GLU B 188 -11.646 9.470 -1.773 1.00 2.54 H new ATOM 0 HA GLU B 188 -11.810 6.769 -1.138 1.00 3.18 H new ATOM 0 HB2 GLU B 188 -13.789 6.797 -2.576 1.00 3.61 H new ATOM 0 HB3 GLU B 188 -13.770 8.067 -1.369 1.00 3.61 H new ATOM 0 HG2 GLU B 188 -13.086 9.707 -3.075 1.00 3.52 H new ATOM 0 HG3 GLU B 188 -13.038 8.445 -4.290 1.00 3.52 H new ATOM 2384 N ALA B 189 -10.234 5.893 -2.698 1.00 3.25 N ATOM 2385 CA ALA B 189 -9.466 4.966 -3.499 1.00 3.84 C ATOM 2386 C ALA B 189 -10.362 3.749 -3.665 1.00 4.73 C ATOM 2387 O ALA B 189 -9.979 2.617 -3.358 1.00 5.24 O ATOM 2388 CB ALA B 189 -8.150 4.661 -2.801 1.00 3.45 C ATOM 0 H ALA B 189 -10.000 5.853 -1.706 1.00 3.25 H new ATOM 0 HA ALA B 189 -9.190 5.356 -4.479 1.00 3.84 H new ATOM 0 HB1 ALA B 189 -7.571 3.962 -3.405 1.00 3.45 H new ATOM 0 HB2 ALA B 189 -7.584 5.584 -2.672 1.00 3.45 H new ATOM 0 HB3 ALA B 189 -8.350 4.218 -1.825 1.00 3.45 H new ATOM 2394 N ALA B 190 -11.634 4.051 -3.978 1.00 5.07 N ATOM 2395 CA ALA B 190 -12.704 3.008 -3.988 1.00 6.09 C ATOM 2396 C ALA B 190 -12.765 2.248 -5.271 1.00 6.88 C ATOM 2397 O ALA B 190 -12.822 2.888 -6.323 1.00 6.93 O ATOM 2398 CB ALA B 190 -14.055 3.660 -3.710 1.00 6.41 C ATOM 0 H ALA B 190 -11.954 4.987 -4.225 1.00 5.07 H new ATOM 0 HA ALA B 190 -12.459 2.290 -3.206 1.00 6.09 H new ATOM 0 HB1 ALA B 190 -14.835 2.899 -3.717 1.00 6.41 H new ATOM 0 HB2 ALA B 190 -14.031 4.145 -2.734 1.00 6.41 H new ATOM 0 HB3 ALA B 190 -14.266 4.403 -4.479 1.00 6.41 H new ATOM 2404 N PHE B 191 -12.730 0.929 -5.287 1.00 7.61 N ATOM 2405 CA PHE B 191 -12.752 0.233 -6.585 1.00 8.50 C ATOM 2406 C PHE B 191 -14.169 0.111 -7.144 1.00 9.34 C ATOM 2407 O PHE B 191 -14.919 -0.792 -6.779 1.00 9.88 O ATOM 2408 CB PHE B 191 -12.101 -1.147 -6.492 1.00 8.96 C ATOM 2409 CG PHE B 191 -11.513 -1.607 -7.801 1.00 9.23 C ATOM 2410 CD1 PHE B 191 -10.285 -1.127 -8.234 1.00 9.60 C ATOM 2411 CD2 PHE B 191 -12.193 -2.509 -8.605 1.00 9.37 C ATOM 2412 CE1 PHE B 191 -9.748 -1.540 -9.440 1.00 10.04 C ATOM 2413 CE2 PHE B 191 -11.662 -2.922 -9.813 1.00 9.84 C ATOM 2414 CZ PHE B 191 -10.438 -2.438 -10.231 1.00 10.14 C ATOM 0 H PHE B 191 -12.688 0.329 -4.463 1.00 7.61 H new ATOM 0 HA PHE B 191 -12.170 0.844 -7.275 1.00 8.50 H new ATOM 0 HB2 PHE B 191 -11.317 -1.123 -5.736 1.00 8.96 H new ATOM 0 HB3 PHE B 191 -12.844 -1.872 -6.158 1.00 8.96 H new ATOM 0 HD1 PHE B 191 -9.742 -0.422 -7.622 1.00 9.60 H new ATOM 0 HD2 PHE B 191 -13.150 -2.894 -8.284 1.00 9.37 H new ATOM 0 HE1 PHE B 191 -8.790 -1.161 -9.763 1.00 10.04 H new ATOM 0 HE2 PHE B 191 -12.205 -3.623 -10.430 1.00 9.84 H new ATOM 0 HZ PHE B 191 -10.021 -2.761 -11.174 1.00 10.14 H new ATOM 2424 N SER B 192 -14.515 1.030 -8.047 1.00 9.55 N ATOM 2425 CA SER B 192 -15.830 1.040 -8.679 1.00 10.42 C ATOM 2426 C SER B 192 -15.772 1.726 -10.041 1.00 11.18 C ATOM 2427 O SER B 192 -16.265 1.135 -11.024 1.00 11.41 O ATOM 2428 CB SER B 192 -16.845 1.750 -7.782 1.00 10.44 C ATOM 2429 OG SER B 192 -18.173 1.448 -8.175 1.00 10.49 O ATOM 2430 OXT SER B 192 -15.234 2.852 -10.113 1.00 11.70 O ATOM 0 H SER B 192 -13.897 1.780 -8.357 1.00 9.55 H new ATOM 0 HA SER B 192 -16.144 0.006 -8.824 1.00 10.42 H new ATOM 0 HB2 SER B 192 -16.692 1.449 -6.746 1.00 10.44 H new ATOM 0 HB3 SER B 192 -16.685 2.827 -7.828 1.00 10.44 H new ATOM 0 HG SER B 192 -18.802 1.913 -7.585 1.00 10.49 H new TER 2436 SER B 192