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 Set 1.1: B 109 THR OG1 : rot 173:sc= -2.32 USER MOD Set 1.2: B 155 GLN : amide:sc= -5.62! C(o=-7.9!,f=-8.3!) USER MOD Set 2.1: A 9 THR OG1 : rot 171:sc= -2.33! USER MOD Set 2.2: A 55 GLN : amide:sc= -5.49! C(o=-7.8!,f=-8.2!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=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 180:sc= -0.532 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.5) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -93:sc= -2.78! USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.887 K(o=-0.89,f=-5.4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 149:sc= 0.0822 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -2.1 F(o=-3.2!,f=-2.1) USER MOD Single : A 92 SER OG : rot 32:sc= 0.134 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= -0.423 USER MOD Single : B 145 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 148 ASN : amide:sc= -0.233 K(o=-0.23,f=-1.5) USER MOD Single : B 149 TYR OH : rot 180:sc= 0 USER MOD Single : B 152 SER OG : rot -92:sc= -2.74! USER MOD Single : B 156 SER OG : rot 180:sc= 0 USER MOD Single : B 158 GLN : amide:sc= -1.11 K(o=-1.1,f=-6!) USER MOD Single : B 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 163 SER OG : rot 180:sc= 0 USER MOD Single : B 175 SER OG : rot 153:sc=-0.00046 USER MOD Single : B 180 HIS :FLIP no HD1:sc= -2.43! C(o=-3.5!,f=-2.4!) USER MOD Single : B 192 SER OG : rot 37:sc= 0.114 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.300 37.408 -2.018 1.00 9.95 N ATOM 2 CA ALA A 1 11.015 38.433 -1.204 1.00 9.34 C ATOM 3 C ALA A 1 12.408 37.925 -0.780 1.00 8.30 C ATOM 4 O ALA A 1 13.400 38.169 -1.460 1.00 8.16 O ATOM 5 CB ALA A 1 10.159 38.803 0.005 1.00 9.73 C ATOM 0 H1 ALA A 1 9.365 37.772 -2.292 1.00 9.95 H new ATOM 0 H2 ALA A 1 10.853 37.196 -2.873 1.00 9.95 H new ATOM 0 H3 ALA A 1 10.183 36.540 -1.458 1.00 9.95 H new ATOM 0 HA ALA A 1 11.173 39.328 -1.806 1.00 9.34 H new ATOM 0 HB1 ALA A 1 10.678 39.552 0.603 1.00 9.73 H new ATOM 0 HB2 ALA A 1 9.205 39.207 -0.334 1.00 9.73 H new ATOM 0 HB3 ALA A 1 9.982 37.914 0.611 1.00 9.73 H new ATOM 13 N VAL A 2 12.448 37.215 0.340 1.00 7.83 N ATOM 14 CA VAL A 2 13.654 36.616 0.910 1.00 7.06 C ATOM 15 C VAL A 2 14.003 35.300 0.187 1.00 5.87 C ATOM 16 O VAL A 2 13.815 34.178 0.657 1.00 5.74 O ATOM 17 CB VAL A 2 13.527 36.399 2.431 1.00 7.48 C ATOM 18 CG1 VAL A 2 12.438 35.392 2.765 1.00 8.02 C ATOM 19 CG2 VAL A 2 14.866 35.981 3.014 1.00 7.83 C ATOM 0 H VAL A 2 11.614 37.032 0.898 1.00 7.83 H new ATOM 0 HA VAL A 2 14.473 37.319 0.756 1.00 7.06 H new ATOM 0 HB VAL A 2 13.233 37.345 2.886 1.00 7.48 H new ATOM 0 HG11 VAL A 2 12.379 35.266 3.846 1.00 8.02 H new ATOM 0 HG12 VAL A 2 11.481 35.753 2.389 1.00 8.02 H new ATOM 0 HG13 VAL A 2 12.673 34.434 2.300 1.00 8.02 H new ATOM 0 HG21 VAL A 2 14.764 35.831 4.089 1.00 7.83 H new ATOM 0 HG22 VAL A 2 15.192 35.052 2.547 1.00 7.83 H new ATOM 0 HG23 VAL A 2 15.604 36.760 2.825 1.00 7.83 H new ATOM 29 N LEU A 3 14.539 35.583 -1.016 1.00 5.32 N ATOM 30 CA LEU A 3 14.991 34.573 -1.985 1.00 4.36 C ATOM 31 C LEU A 3 16.522 34.355 -2.033 1.00 4.03 C ATOM 32 O LEU A 3 17.211 34.772 -2.963 1.00 4.40 O ATOM 33 CB LEU A 3 14.380 34.804 -3.383 1.00 4.40 C ATOM 34 CG LEU A 3 14.941 35.939 -4.250 1.00 5.00 C ATOM 35 CD1 LEU A 3 15.544 37.059 -3.418 1.00 5.26 C ATOM 36 CD2 LEU A 3 15.950 35.394 -5.251 1.00 5.86 C ATOM 0 H LEU A 3 14.671 36.539 -1.345 1.00 5.32 H new ATOM 0 HA LEU A 3 14.602 33.628 -1.607 1.00 4.36 H new ATOM 0 HB2 LEU A 3 14.481 33.876 -3.946 1.00 4.40 H new ATOM 0 HB3 LEU A 3 13.313 34.983 -3.253 1.00 4.40 H new ATOM 0 HG LEU A 3 14.105 36.374 -4.798 1.00 5.00 H new ATOM 0 HD11 LEU A 3 15.927 37.837 -4.078 1.00 5.26 H new ATOM 0 HD12 LEU A 3 14.779 37.480 -2.766 1.00 5.26 H new ATOM 0 HD13 LEU A 3 16.359 36.664 -2.812 1.00 5.26 H new ATOM 0 HD21 LEU A 3 16.338 36.212 -5.858 1.00 5.86 H new ATOM 0 HD22 LEU A 3 16.772 34.917 -4.717 1.00 5.86 H new ATOM 0 HD23 LEU A 3 15.464 34.662 -5.896 1.00 5.86 H new ATOM 48 N ASP A 4 16.996 33.600 -1.043 1.00 3.91 N ATOM 49 CA ASP A 4 18.382 33.157 -0.910 1.00 4.19 C ATOM 50 C ASP A 4 18.524 31.794 -1.600 1.00 3.97 C ATOM 51 O ASP A 4 18.895 30.778 -1.012 1.00 4.06 O ATOM 52 CB ASP A 4 18.810 33.078 0.558 1.00 4.92 C ATOM 53 CG ASP A 4 20.111 33.815 0.814 1.00 5.74 C ATOM 54 OD1 ASP A 4 20.135 35.053 0.643 1.00 6.22 O ATOM 55 OD2 ASP A 4 21.105 33.156 1.184 1.00 6.19 O ATOM 0 H ASP A 4 16.402 33.268 -0.283 1.00 3.91 H new ATOM 0 HA ASP A 4 19.040 33.884 -1.387 1.00 4.19 H new ATOM 0 HB2 ASP A 4 18.026 33.499 1.187 1.00 4.92 H new ATOM 0 HB3 ASP A 4 18.923 32.033 0.846 1.00 4.92 H new ATOM 60 N LEU A 5 18.231 31.877 -2.892 1.00 4.28 N ATOM 61 CA LEU A 5 18.266 30.870 -3.843 1.00 4.71 C ATOM 62 C LEU A 5 18.507 31.564 -5.191 1.00 5.46 C ATOM 63 O LEU A 5 19.392 32.409 -5.323 1.00 6.27 O ATOM 64 CB LEU A 5 16.961 30.111 -3.790 1.00 5.36 C ATOM 65 CG LEU A 5 16.994 28.636 -4.235 1.00 6.10 C ATOM 66 CD1 LEU A 5 16.570 28.500 -5.679 1.00 5.79 C ATOM 67 CD2 LEU A 5 18.362 27.981 -4.027 1.00 7.09 C ATOM 0 H LEU A 5 17.936 32.763 -3.301 1.00 4.28 H new ATOM 0 HA LEU A 5 19.057 30.139 -3.674 1.00 4.71 H new ATOM 0 HB2 LEU A 5 16.588 30.148 -2.766 1.00 5.36 H new ATOM 0 HB3 LEU A 5 16.237 30.637 -4.412 1.00 5.36 H new ATOM 0 HG LEU A 5 16.284 28.109 -3.598 1.00 6.10 H new ATOM 0 HD11 LEU A 5 16.601 27.450 -5.970 1.00 5.79 H new ATOM 0 HD12 LEU A 5 15.555 28.879 -5.797 1.00 5.79 H new ATOM 0 HD13 LEU A 5 17.247 29.072 -6.313 1.00 5.79 H new ATOM 0 HD21 LEU A 5 18.323 26.943 -4.359 1.00 7.09 H new ATOM 0 HD22 LEU A 5 19.114 28.518 -4.604 1.00 7.09 H new ATOM 0 HD23 LEU A 5 18.624 28.014 -2.970 1.00 7.09 H new ATOM 79 N ASP A 6 17.771 31.143 -6.164 1.00 5.46 N ATOM 80 CA ASP A 6 17.921 31.634 -7.505 1.00 6.41 C ATOM 81 C ASP A 6 16.631 31.384 -8.278 1.00 6.28 C ATOM 82 O ASP A 6 16.603 31.305 -9.506 1.00 6.48 O ATOM 83 CB ASP A 6 19.112 30.891 -8.063 1.00 7.20 C ATOM 84 CG ASP A 6 19.795 31.596 -9.217 1.00 8.21 C ATOM 85 OD1 ASP A 6 19.109 31.911 -10.213 1.00 8.64 O ATOM 86 OD2 ASP A 6 21.020 31.823 -9.129 1.00 8.78 O ATOM 0 H ASP A 6 17.039 30.441 -6.056 1.00 5.46 H new ATOM 0 HA ASP A 6 18.096 32.708 -7.567 1.00 6.41 H new ATOM 0 HB2 ASP A 6 19.838 30.737 -7.264 1.00 7.20 H new ATOM 0 HB3 ASP A 6 18.789 29.904 -8.394 1.00 7.20 H new ATOM 91 N VAL A 7 15.569 31.297 -7.492 1.00 6.22 N ATOM 92 CA VAL A 7 14.198 31.083 -7.927 1.00 6.28 C ATOM 93 C VAL A 7 13.356 31.747 -6.868 1.00 5.52 C ATOM 94 O VAL A 7 13.914 32.224 -5.874 1.00 5.69 O ATOM 95 CB VAL A 7 13.794 29.601 -8.111 1.00 7.22 C ATOM 96 CG1 VAL A 7 13.532 28.908 -6.784 1.00 7.36 C ATOM 97 CG2 VAL A 7 12.570 29.503 -9.015 1.00 7.51 C ATOM 0 H VAL A 7 15.645 31.378 -6.478 1.00 6.22 H new ATOM 0 HA VAL A 7 14.059 31.501 -8.924 1.00 6.28 H new ATOM 0 HB VAL A 7 14.633 29.087 -8.580 1.00 7.22 H new ATOM 0 HG11 VAL A 7 13.252 27.870 -6.965 1.00 7.36 H new ATOM 0 HG12 VAL A 7 14.434 28.939 -6.173 1.00 7.36 H new ATOM 0 HG13 VAL A 7 12.722 29.417 -6.261 1.00 7.36 H new ATOM 0 HG21 VAL A 7 12.292 28.456 -9.139 1.00 7.51 H new ATOM 0 HG22 VAL A 7 11.740 30.047 -8.564 1.00 7.51 H new ATOM 0 HG23 VAL A 7 12.801 29.935 -9.989 1.00 7.51 H new ATOM 107 N ARG A 8 12.067 31.852 -7.037 1.00 5.09 N ATOM 108 CA ARG A 8 11.298 32.547 -6.047 1.00 4.80 C ATOM 109 C ARG A 8 11.276 31.682 -4.852 1.00 4.48 C ATOM 110 O ARG A 8 10.856 30.526 -4.925 1.00 4.96 O ATOM 111 CB ARG A 8 9.895 32.905 -6.535 1.00 5.24 C ATOM 112 CG ARG A 8 9.323 31.939 -7.556 1.00 6.15 C ATOM 113 CD ARG A 8 7.867 32.254 -7.847 1.00 6.93 C ATOM 114 NE ARG A 8 7.692 33.613 -8.352 1.00 7.61 N ATOM 115 CZ ARG A 8 7.891 33.964 -9.621 1.00 8.32 C ATOM 116 NH1 ARG A 8 8.304 33.068 -10.509 1.00 8.49 N ATOM 117 NH2 ARG A 8 7.685 35.218 -10.002 1.00 9.08 N ATOM 0 H ARG A 8 11.541 31.477 -7.826 1.00 5.09 H new ATOM 0 HA ARG A 8 11.754 33.510 -5.817 1.00 4.80 H new ATOM 0 HB2 ARG A 8 9.224 32.947 -5.677 1.00 5.24 H new ATOM 0 HB3 ARG A 8 9.919 33.904 -6.971 1.00 5.24 H new ATOM 0 HG2 ARG A 8 9.902 31.994 -8.478 1.00 6.15 H new ATOM 0 HG3 ARG A 8 9.411 30.918 -7.185 1.00 6.15 H new ATOM 0 HD2 ARG A 8 7.481 31.543 -8.578 1.00 6.93 H new ATOM 0 HD3 ARG A 8 7.280 32.127 -6.938 1.00 6.93 H new ATOM 0 HE ARG A 8 7.400 34.336 -7.694 1.00 7.61 H new ATOM 0 HH11 ARG A 8 8.471 32.104 -10.221 1.00 8.49 H new ATOM 0 HH12 ARG A 8 8.454 33.344 -11.479 1.00 8.49 H new ATOM 0 HH21 ARG A 8 7.374 35.913 -9.323 1.00 9.08 H new ATOM 0 HH22 ARG A 8 7.837 35.487 -10.974 1.00 9.08 H new ATOM 131 N THR A 9 11.799 32.196 -3.763 1.00 4.05 N ATOM 132 CA THR A 9 11.895 31.368 -2.616 1.00 4.08 C ATOM 133 C THR A 9 10.547 30.819 -2.283 1.00 3.18 C ATOM 134 O THR A 9 9.622 31.524 -1.886 1.00 3.47 O ATOM 135 CB THR A 9 12.414 32.172 -1.432 1.00 4.95 C ATOM 136 OG1 THR A 9 12.237 31.448 -0.223 1.00 5.55 O ATOM 137 CG2 THR A 9 11.717 33.511 -1.289 1.00 5.66 C ATOM 0 H THR A 9 12.149 33.149 -3.660 1.00 4.05 H new ATOM 0 HA THR A 9 12.586 30.551 -2.826 1.00 4.08 H new ATOM 0 HB THR A 9 13.472 32.349 -1.624 1.00 4.95 H new ATOM 0 HG1 THR A 9 12.696 31.913 0.507 1.00 5.55 H new ATOM 0 HG21 THR A 9 12.125 34.044 -0.430 1.00 5.66 H new ATOM 0 HG22 THR A 9 11.876 34.102 -2.191 1.00 5.66 H new ATOM 0 HG23 THR A 9 10.649 33.351 -1.143 1.00 5.66 H new ATOM 145 N CYS A 10 10.486 29.526 -2.481 1.00 2.54 N ATOM 146 CA CYS A 10 9.295 28.725 -2.241 1.00 1.93 C ATOM 147 C CYS A 10 8.384 29.282 -1.128 1.00 1.72 C ATOM 148 O CYS A 10 8.739 29.244 0.051 1.00 1.97 O ATOM 149 CB CYS A 10 9.711 27.304 -1.871 1.00 2.28 C ATOM 150 SG CYS A 10 10.915 27.230 -0.502 1.00 2.68 S ATOM 0 H CYS A 10 11.278 28.981 -2.822 1.00 2.54 H new ATOM 0 HA CYS A 10 8.717 28.748 -3.165 1.00 1.93 H new ATOM 0 HB2 CYS A 10 8.824 26.735 -1.595 1.00 2.28 H new ATOM 0 HB3 CYS A 10 10.140 26.820 -2.748 1.00 2.28 H new ATOM 155 N LEU A 11 7.198 29.764 -1.522 1.00 1.49 N ATOM 156 CA LEU A 11 6.180 30.308 -0.596 1.00 1.39 C ATOM 157 C LEU A 11 6.202 29.644 0.790 1.00 1.20 C ATOM 158 O LEU A 11 6.660 28.511 0.944 1.00 1.16 O ATOM 159 CB LEU A 11 4.785 30.178 -1.197 1.00 1.55 C ATOM 160 CG LEU A 11 4.408 31.268 -2.201 1.00 1.91 C ATOM 161 CD1 LEU A 11 3.076 30.941 -2.863 1.00 2.48 C ATOM 162 CD2 LEU A 11 4.350 32.633 -1.523 1.00 2.29 C ATOM 0 H LEU A 11 6.910 29.790 -2.500 1.00 1.49 H new ATOM 0 HA LEU A 11 6.433 31.359 -0.456 1.00 1.39 H new ATOM 0 HB2 LEU A 11 4.707 29.209 -1.690 1.00 1.55 H new ATOM 0 HB3 LEU A 11 4.055 30.183 -0.387 1.00 1.55 H new ATOM 0 HG LEU A 11 5.178 31.306 -2.971 1.00 1.91 H new ATOM 0 HD11 LEU A 11 2.821 31.726 -3.575 1.00 2.48 H new ATOM 0 HD12 LEU A 11 3.154 29.988 -3.386 1.00 2.48 H new ATOM 0 HD13 LEU A 11 2.298 30.875 -2.102 1.00 2.48 H new ATOM 0 HD21 LEU A 11 4.080 33.393 -2.257 1.00 2.29 H new ATOM 0 HD22 LEU A 11 3.603 32.614 -0.729 1.00 2.29 H new ATOM 0 HD23 LEU A 11 5.325 32.870 -1.098 1.00 2.29 H new ATOM 174 N PRO A 12 5.730 30.368 1.828 1.00 1.19 N ATOM 175 CA PRO A 12 5.720 29.881 3.211 1.00 1.11 C ATOM 176 C PRO A 12 4.439 29.158 3.671 1.00 1.01 C ATOM 177 O PRO A 12 3.348 29.719 3.625 1.00 1.05 O ATOM 178 CB PRO A 12 5.845 31.185 3.983 1.00 1.29 C ATOM 179 CG PRO A 12 5.032 32.148 3.188 1.00 1.49 C ATOM 180 CD PRO A 12 5.196 31.742 1.744 1.00 1.39 C ATOM 0 HA PRO A 12 6.495 29.128 3.354 1.00 1.11 H new ATOM 0 HB2 PRO A 12 5.466 31.086 5.000 1.00 1.29 H new ATOM 0 HB3 PRO A 12 6.884 31.506 4.060 1.00 1.29 H new ATOM 0 HG2 PRO A 12 3.984 32.113 3.486 1.00 1.49 H new ATOM 0 HG3 PRO A 12 5.374 33.171 3.347 1.00 1.49 H new ATOM 0 HD2 PRO A 12 4.247 31.771 1.209 1.00 1.39 H new ATOM 0 HD3 PRO A 12 5.880 32.406 1.216 1.00 1.39 H new ATOM 188 N CYS A 13 4.583 27.880 4.020 1.00 0.93 N ATOM 189 CA CYS A 13 3.491 27.001 4.420 1.00 0.89 C ATOM 190 C CYS A 13 3.532 26.746 5.937 1.00 0.90 C ATOM 191 O CYS A 13 4.035 27.571 6.699 1.00 1.00 O ATOM 192 CB CYS A 13 3.587 25.701 3.611 1.00 0.82 C ATOM 193 SG CYS A 13 5.230 24.926 3.680 1.00 0.86 S ATOM 0 H CYS A 13 5.491 27.416 4.032 1.00 0.93 H new ATOM 0 HA CYS A 13 2.530 27.471 4.209 1.00 0.89 H new ATOM 0 HB2 CYS A 13 2.845 24.995 3.983 1.00 0.82 H new ATOM 0 HB3 CYS A 13 3.335 25.910 2.571 1.00 0.82 H new ATOM 198 N GLY A 14 2.944 25.632 6.379 1.00 0.91 N ATOM 199 CA GLY A 14 2.869 25.327 7.788 1.00 0.98 C ATOM 200 C GLY A 14 1.753 26.094 8.429 1.00 1.10 C ATOM 201 O GLY A 14 0.927 26.666 7.717 1.00 1.15 O ATOM 0 H GLY A 14 2.516 24.933 5.772 1.00 0.91 H new ATOM 0 HA2 GLY A 14 2.711 24.258 7.927 1.00 0.98 H new ATOM 0 HA3 GLY A 14 3.814 25.575 8.271 1.00 0.98 H new ATOM 205 N PRO A 15 1.659 26.140 9.755 1.00 1.19 N ATOM 206 CA PRO A 15 0.573 26.876 10.394 1.00 1.33 C ATOM 207 C PRO A 15 0.666 28.351 10.085 1.00 1.40 C ATOM 208 O PRO A 15 1.240 29.139 10.836 1.00 1.57 O ATOM 209 CB PRO A 15 0.874 26.647 11.867 1.00 1.46 C ATOM 210 CG PRO A 15 2.335 26.600 11.791 1.00 1.39 C ATOM 211 CD PRO A 15 2.563 25.572 10.743 1.00 1.21 C ATOM 0 HA PRO A 15 -0.419 26.558 10.072 1.00 1.33 H new ATOM 0 HB2 PRO A 15 0.510 27.454 12.503 1.00 1.46 H new ATOM 0 HB3 PRO A 15 0.441 25.722 12.247 1.00 1.46 H new ATOM 0 HG2 PRO A 15 2.759 27.565 11.514 1.00 1.39 H new ATOM 0 HG3 PRO A 15 2.783 26.317 12.743 1.00 1.39 H new ATOM 0 HD2 PRO A 15 3.598 25.524 10.404 1.00 1.21 H new ATOM 0 HD3 PRO A 15 2.283 24.566 11.057 1.00 1.21 H new ATOM 219 N GLY A 16 0.029 28.710 9.016 1.00 1.34 N ATOM 220 CA GLY A 16 -0.035 30.066 8.607 1.00 1.47 C ATOM 221 C GLY A 16 1.143 30.522 7.819 1.00 1.43 C ATOM 222 O GLY A 16 1.310 31.729 7.633 1.00 1.68 O ATOM 0 H GLY A 16 -0.463 28.061 8.402 1.00 1.34 H new ATOM 0 HA2 GLY A 16 -0.936 30.212 8.010 1.00 1.47 H new ATOM 0 HA3 GLY A 16 -0.133 30.696 9.491 1.00 1.47 H new ATOM 226 N GLY A 17 1.922 29.600 7.263 1.00 1.28 N ATOM 227 CA GLY A 17 2.982 30.033 6.451 1.00 1.25 C ATOM 228 C GLY A 17 4.263 30.405 7.174 1.00 1.24 C ATOM 229 O GLY A 17 4.997 31.300 6.765 1.00 1.36 O ATOM 0 H GLY A 17 1.822 28.591 7.371 1.00 1.28 H new ATOM 0 HA2 GLY A 17 3.209 29.245 5.733 1.00 1.25 H new ATOM 0 HA3 GLY A 17 2.646 30.898 5.879 1.00 1.25 H new ATOM 233 N LYS A 18 4.557 29.641 8.234 1.00 1.18 N ATOM 234 CA LYS A 18 5.796 29.790 9.006 1.00 1.23 C ATOM 235 C LYS A 18 6.908 28.839 8.467 1.00 1.13 C ATOM 236 O LYS A 18 8.074 28.948 8.834 1.00 1.22 O ATOM 237 CB LYS A 18 5.513 29.532 10.483 1.00 1.28 C ATOM 238 CG LYS A 18 4.119 29.980 10.908 1.00 1.34 C ATOM 239 CD LYS A 18 4.171 31.116 11.918 1.00 1.73 C ATOM 240 CE LYS A 18 4.141 30.602 13.348 1.00 1.91 C ATOM 241 NZ LYS A 18 4.975 31.441 14.254 1.00 2.50 N ATOM 0 H LYS A 18 3.943 28.903 8.580 1.00 1.18 H new ATOM 0 HA LYS A 18 6.163 30.810 8.894 1.00 1.23 H new ATOM 0 HB2 LYS A 18 5.625 28.467 10.689 1.00 1.28 H new ATOM 0 HB3 LYS A 18 6.256 30.053 11.086 1.00 1.28 H new ATOM 0 HG2 LYS A 18 3.557 30.300 10.030 1.00 1.34 H new ATOM 0 HG3 LYS A 18 3.582 29.135 11.339 1.00 1.34 H new ATOM 0 HD2 LYS A 18 5.077 31.701 11.761 1.00 1.73 H new ATOM 0 HD3 LYS A 18 3.327 31.786 11.755 1.00 1.73 H new ATOM 0 HE2 LYS A 18 3.112 30.589 13.708 1.00 1.91 H new ATOM 0 HE3 LYS A 18 4.500 29.573 13.372 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 4.930 31.059 15.220 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 5.961 31.433 13.925 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 4.617 32.417 14.250 1.00 2.50 H new ATOM 255 N GLY A 19 6.478 27.904 7.615 1.00 1.02 N ATOM 256 CA GLY A 19 7.307 26.873 6.956 1.00 0.95 C ATOM 257 C GLY A 19 7.573 27.282 5.527 1.00 0.91 C ATOM 258 O GLY A 19 7.071 28.337 5.136 1.00 1.00 O ATOM 0 H GLY A 19 5.496 27.836 7.349 1.00 1.02 H new ATOM 0 HA2 GLY A 19 8.248 26.750 7.492 1.00 0.95 H new ATOM 0 HA3 GLY A 19 6.797 25.910 6.981 1.00 0.95 H new ATOM 262 N ARG A 20 8.255 26.500 4.657 1.00 0.86 N ATOM 263 CA ARG A 20 8.398 26.894 3.266 1.00 0.86 C ATOM 264 C ARG A 20 7.888 25.694 2.437 1.00 0.80 C ATOM 265 O ARG A 20 7.670 24.620 3.000 1.00 0.78 O ATOM 266 CB ARG A 20 9.860 27.149 2.920 1.00 0.94 C ATOM 267 CG ARG A 20 10.378 28.498 3.375 1.00 1.13 C ATOM 268 CD ARG A 20 11.139 28.434 4.697 1.00 1.55 C ATOM 269 NE ARG A 20 11.701 27.112 5.006 1.00 1.82 N ATOM 270 CZ ARG A 20 12.639 26.496 4.281 1.00 2.25 C ATOM 271 NH1 ARG A 20 13.030 26.996 3.120 1.00 2.59 N ATOM 272 NH2 ARG A 20 13.165 25.357 4.710 1.00 2.92 N ATOM 0 H ARG A 20 8.700 25.615 4.901 1.00 0.86 H new ATOM 0 HA ARG A 20 7.845 27.811 3.064 1.00 0.86 H new ATOM 0 HB2 ARG A 20 10.471 26.367 3.371 1.00 0.94 H new ATOM 0 HB3 ARG A 20 9.986 27.069 1.840 1.00 0.94 H new ATOM 0 HG2 ARG A 20 11.033 28.907 2.606 1.00 1.13 H new ATOM 0 HG3 ARG A 20 9.539 29.186 3.479 1.00 1.13 H new ATOM 0 HD2 ARG A 20 11.948 29.164 4.673 1.00 1.55 H new ATOM 0 HD3 ARG A 20 10.468 28.729 5.504 1.00 1.55 H new ATOM 0 HE ARG A 20 11.350 26.630 5.833 1.00 1.82 H new ATOM 0 HH11 ARG A 20 12.615 27.860 2.771 1.00 2.59 H new ATOM 0 HH12 ARG A 20 13.747 26.518 2.574 1.00 2.59 H new ATOM 0 HH21 ARG A 20 12.853 24.952 5.593 1.00 2.92 H new ATOM 0 HH22 ARG A 20 13.881 24.886 4.157 1.00 2.92 H new ATOM 286 N CYS A 21 7.690 25.842 1.130 1.00 0.82 N ATOM 287 CA CYS A 21 7.174 24.720 0.332 1.00 0.81 C ATOM 288 C CYS A 21 8.219 24.107 -0.595 1.00 0.84 C ATOM 289 O CYS A 21 9.250 24.710 -0.889 1.00 1.04 O ATOM 290 CB CYS A 21 5.992 25.179 -0.522 1.00 0.91 C ATOM 291 SG CYS A 21 4.407 25.339 0.361 1.00 1.10 S ATOM 0 H CYS A 21 7.871 26.699 0.607 1.00 0.82 H new ATOM 0 HA CYS A 21 6.871 23.958 1.050 1.00 0.81 H new ATOM 0 HB2 CYS A 21 6.240 26.143 -0.967 1.00 0.91 H new ATOM 0 HB3 CYS A 21 5.862 24.473 -1.342 1.00 0.91 H new ATOM 296 N PHE A 22 7.911 22.892 -1.063 1.00 0.76 N ATOM 297 CA PHE A 22 8.778 22.161 -1.982 1.00 0.83 C ATOM 298 C PHE A 22 7.933 21.385 -2.987 1.00 0.94 C ATOM 299 O PHE A 22 8.063 21.569 -4.198 1.00 1.43 O ATOM 300 CB PHE A 22 9.687 21.202 -1.210 1.00 0.85 C ATOM 301 CG PHE A 22 10.732 21.912 -0.410 1.00 0.84 C ATOM 302 CD1 PHE A 22 10.418 22.479 0.815 1.00 1.42 C ATOM 303 CD2 PHE A 22 12.025 22.038 -0.893 1.00 1.40 C ATOM 304 CE1 PHE A 22 11.376 23.156 1.542 1.00 1.50 C ATOM 305 CE2 PHE A 22 12.986 22.711 -0.166 1.00 1.51 C ATOM 306 CZ PHE A 22 12.663 23.271 1.051 1.00 1.14 C ATOM 0 H PHE A 22 7.057 22.393 -0.814 1.00 0.76 H new ATOM 0 HA PHE A 22 9.402 22.876 -2.517 1.00 0.83 H new ATOM 0 HB2 PHE A 22 9.079 20.590 -0.544 1.00 0.85 H new ATOM 0 HB3 PHE A 22 10.172 20.524 -1.912 1.00 0.85 H new ATOM 0 HD1 PHE A 22 9.414 22.390 1.204 1.00 1.42 H new ATOM 0 HD2 PHE A 22 12.283 21.605 -1.848 1.00 1.40 H new ATOM 0 HE1 PHE A 22 11.120 23.596 2.495 1.00 1.50 H new ATOM 0 HE2 PHE A 22 13.991 22.799 -0.551 1.00 1.51 H new ATOM 0 HZ PHE A 22 13.414 23.799 1.620 1.00 1.14 H new ATOM 316 N GLY A 23 7.058 20.525 -2.469 1.00 0.83 N ATOM 317 CA GLY A 23 6.185 19.736 -3.324 1.00 0.88 C ATOM 318 C GLY A 23 4.717 19.999 -3.036 1.00 0.88 C ATOM 319 O GLY A 23 4.396 20.759 -2.126 1.00 0.90 O ATOM 0 H GLY A 23 6.938 20.360 -1.470 1.00 0.83 H new ATOM 0 HA2 GLY A 23 6.396 19.966 -4.368 1.00 0.88 H new ATOM 0 HA3 GLY A 23 6.398 18.677 -3.181 1.00 0.88 H new ATOM 323 N PRO A 24 3.793 19.384 -3.796 1.00 1.01 N ATOM 324 CA PRO A 24 2.351 19.579 -3.597 1.00 1.07 C ATOM 325 C PRO A 24 1.920 19.306 -2.154 1.00 0.96 C ATOM 326 O PRO A 24 1.557 20.228 -1.426 1.00 1.03 O ATOM 327 CB PRO A 24 1.712 18.577 -4.559 1.00 1.32 C ATOM 328 CG PRO A 24 2.754 18.318 -5.595 1.00 1.50 C ATOM 329 CD PRO A 24 4.081 18.455 -4.902 1.00 1.24 C ATOM 0 HA PRO A 24 2.050 20.609 -3.787 1.00 1.07 H new ATOM 0 HB2 PRO A 24 1.431 17.659 -4.043 1.00 1.32 H new ATOM 0 HB3 PRO A 24 0.804 18.982 -5.005 1.00 1.32 H new ATOM 0 HG2 PRO A 24 2.639 17.321 -6.021 1.00 1.50 H new ATOM 0 HG3 PRO A 24 2.670 19.028 -6.417 1.00 1.50 H new ATOM 0 HD2 PRO A 24 4.444 17.495 -4.536 1.00 1.24 H new ATOM 0 HD3 PRO A 24 4.845 18.851 -5.571 1.00 1.24 H new ATOM 337 N SER A 25 1.978 18.044 -1.736 1.00 0.97 N ATOM 338 CA SER A 25 1.612 17.680 -0.369 1.00 0.92 C ATOM 339 C SER A 25 2.855 17.616 0.502 1.00 0.78 C ATOM 340 O SER A 25 2.852 16.994 1.556 1.00 0.81 O ATOM 341 CB SER A 25 0.898 16.320 -0.335 1.00 1.12 C ATOM 342 OG SER A 25 -0.496 16.479 -0.136 1.00 1.26 O ATOM 0 H SER A 25 2.273 17.261 -2.319 1.00 0.97 H new ATOM 0 HA SER A 25 0.933 18.442 0.013 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.076 15.789 -1.270 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.315 15.707 0.464 1.00 1.12 H new ATOM 0 HG SER A 25 -0.927 15.599 -0.120 1.00 1.26 H new ATOM 348 N ILE A 26 3.933 18.228 0.043 1.00 0.70 N ATOM 349 CA ILE A 26 5.175 18.187 0.774 1.00 0.61 C ATOM 350 C ILE A 26 5.683 19.595 1.114 1.00 0.58 C ATOM 351 O ILE A 26 6.162 20.340 0.251 1.00 0.73 O ATOM 352 CB ILE A 26 6.220 17.377 -0.025 1.00 0.60 C ATOM 353 CG1 ILE A 26 5.555 16.180 -0.722 1.00 0.79 C ATOM 354 CG2 ILE A 26 7.340 16.915 0.871 1.00 0.74 C ATOM 355 CD1 ILE A 26 5.985 15.999 -2.160 1.00 0.83 C ATOM 0 H ILE A 26 3.968 18.756 -0.829 1.00 0.70 H new ATOM 0 HA ILE A 26 5.002 17.687 1.727 1.00 0.61 H new ATOM 0 HB ILE A 26 6.645 18.028 -0.789 1.00 0.60 H new ATOM 0 HG12 ILE A 26 5.787 15.272 -0.166 1.00 0.79 H new ATOM 0 HG13 ILE A 26 4.473 16.307 -0.689 1.00 0.79 H new ATOM 0 HG21 ILE A 26 8.063 16.347 0.286 1.00 0.74 H new ATOM 0 HG22 ILE A 26 7.832 17.781 1.314 1.00 0.74 H new ATOM 0 HG23 ILE A 26 6.936 16.283 1.662 1.00 0.74 H new ATOM 0 HD11 ILE A 26 5.475 15.135 -2.586 1.00 0.83 H new ATOM 0 HD12 ILE A 26 5.728 16.891 -2.732 1.00 0.83 H new ATOM 0 HD13 ILE A 26 7.063 15.840 -2.200 1.00 0.83 H new ATOM 367 N CYS A 27 5.547 19.943 2.394 1.00 0.56 N ATOM 368 CA CYS A 27 5.949 21.250 2.921 1.00 0.56 C ATOM 369 C CYS A 27 6.971 21.060 4.035 1.00 0.55 C ATOM 370 O CYS A 27 6.707 20.340 4.988 1.00 0.59 O ATOM 371 CB CYS A 27 4.702 21.961 3.456 1.00 0.60 C ATOM 372 SG CYS A 27 4.987 23.220 4.743 1.00 0.92 S ATOM 0 H CYS A 27 5.152 19.322 3.100 1.00 0.56 H new ATOM 0 HA CYS A 27 6.404 21.852 2.135 1.00 0.56 H new ATOM 0 HB2 CYS A 27 4.192 22.436 2.618 1.00 0.60 H new ATOM 0 HB3 CYS A 27 4.023 21.208 3.857 1.00 0.60 H new ATOM 377 N CYS A 28 8.143 21.681 3.912 1.00 0.56 N ATOM 378 CA CYS A 28 9.178 21.518 4.927 1.00 0.58 C ATOM 379 C CYS A 28 9.929 22.801 5.297 1.00 0.61 C ATOM 380 O CYS A 28 10.722 23.290 4.490 1.00 0.76 O ATOM 381 CB CYS A 28 10.234 20.500 4.453 1.00 0.65 C ATOM 382 SG CYS A 28 9.877 19.714 2.844 1.00 1.28 S ATOM 0 H CYS A 28 8.396 22.291 3.134 1.00 0.56 H new ATOM 0 HA CYS A 28 8.637 21.183 5.812 1.00 0.58 H new ATOM 0 HB2 CYS A 28 11.199 21.003 4.389 1.00 0.65 H new ATOM 0 HB3 CYS A 28 10.330 19.720 5.208 1.00 0.65 H new ATOM 387 N GLY A 29 9.776 23.325 6.536 1.00 0.62 N ATOM 388 CA GLY A 29 10.542 24.468 6.920 1.00 0.65 C ATOM 389 C GLY A 29 11.624 24.050 7.885 1.00 0.67 C ATOM 390 O GLY A 29 12.005 22.882 7.940 1.00 0.66 O ATOM 0 H GLY A 29 9.140 22.966 7.248 1.00 0.62 H new ATOM 0 HA2 GLY A 29 10.985 24.934 6.040 1.00 0.65 H new ATOM 0 HA3 GLY A 29 9.895 25.213 7.383 1.00 0.65 H new ATOM 394 N ASP A 30 12.121 24.997 8.636 1.00 0.72 N ATOM 395 CA ASP A 30 13.195 24.736 9.578 1.00 0.76 C ATOM 396 C ASP A 30 12.778 23.812 10.694 1.00 0.77 C ATOM 397 O ASP A 30 13.366 22.743 10.867 1.00 0.80 O ATOM 398 CB ASP A 30 13.747 26.045 10.136 1.00 0.84 C ATOM 399 CG ASP A 30 15.099 25.861 10.797 1.00 1.41 C ATOM 400 OD1 ASP A 30 16.098 25.664 10.070 1.00 2.27 O ATOM 401 OD2 ASP A 30 15.160 25.912 12.042 1.00 1.92 O ATOM 0 H ASP A 30 11.801 25.965 8.618 1.00 0.72 H new ATOM 0 HA ASP A 30 13.984 24.224 9.027 1.00 0.76 H new ATOM 0 HB2 ASP A 30 13.835 26.773 9.330 1.00 0.84 H new ATOM 0 HB3 ASP A 30 13.043 26.455 10.860 1.00 0.84 H new ATOM 406 N GLU A 31 11.859 24.236 11.520 1.00 0.78 N ATOM 407 CA GLU A 31 11.455 23.438 12.682 1.00 0.83 C ATOM 408 C GLU A 31 10.054 22.917 12.482 1.00 0.87 C ATOM 409 O GLU A 31 9.347 22.537 13.417 1.00 1.00 O ATOM 410 CB GLU A 31 11.512 24.288 13.949 1.00 0.90 C ATOM 411 CG GLU A 31 12.134 25.660 13.746 1.00 0.99 C ATOM 412 CD GLU A 31 12.698 26.239 15.025 1.00 1.14 C ATOM 413 OE1 GLU A 31 13.768 25.769 15.469 1.00 1.66 O ATOM 414 OE2 GLU A 31 12.072 27.162 15.584 1.00 1.64 O ATOM 0 H GLU A 31 11.368 25.125 11.424 1.00 0.78 H new ATOM 0 HA GLU A 31 12.141 22.597 12.788 1.00 0.83 H new ATOM 0 HB2 GLU A 31 10.501 24.413 14.336 1.00 0.90 H new ATOM 0 HB3 GLU A 31 12.080 23.752 14.709 1.00 0.90 H new ATOM 0 HG2 GLU A 31 12.928 25.588 13.003 1.00 0.99 H new ATOM 0 HG3 GLU A 31 11.382 26.340 13.344 1.00 0.99 H new ATOM 421 N LEU A 32 9.662 22.965 11.245 1.00 0.82 N ATOM 422 CA LEU A 32 8.405 22.553 10.775 1.00 0.88 C ATOM 423 C LEU A 32 8.677 21.356 9.890 1.00 0.82 C ATOM 424 O LEU A 32 7.778 20.581 9.554 1.00 0.90 O ATOM 425 CB LEU A 32 7.800 23.701 10.002 1.00 0.93 C ATOM 426 CG LEU A 32 6.475 24.222 10.542 1.00 1.15 C ATOM 427 CD1 LEU A 32 6.224 25.631 10.036 1.00 1.24 C ATOM 428 CD2 LEU A 32 5.327 23.294 10.171 1.00 1.37 C ATOM 0 H LEU A 32 10.263 23.319 10.501 1.00 0.82 H new ATOM 0 HA LEU A 32 7.705 22.281 11.565 1.00 0.88 H new ATOM 0 HB2 LEU A 32 8.515 24.523 9.985 1.00 0.93 H new ATOM 0 HB3 LEU A 32 7.654 23.385 8.969 1.00 0.93 H new ATOM 0 HG LEU A 32 6.533 24.250 11.630 1.00 1.15 H new ATOM 0 HD11 LEU A 32 5.274 25.994 10.428 1.00 1.24 H new ATOM 0 HD12 LEU A 32 7.029 26.286 10.370 1.00 1.24 H new ATOM 0 HD13 LEU A 32 6.189 25.625 8.947 1.00 1.24 H new ATOM 0 HD21 LEU A 32 4.394 23.692 10.570 1.00 1.37 H new ATOM 0 HD22 LEU A 32 5.255 23.220 9.086 1.00 1.37 H new ATOM 0 HD23 LEU A 32 5.509 22.305 10.591 1.00 1.37 H new ATOM 440 N GLY A 33 9.969 21.173 9.594 1.00 0.73 N ATOM 441 CA GLY A 33 10.393 20.049 8.847 1.00 0.71 C ATOM 442 C GLY A 33 9.598 19.885 7.594 1.00 0.67 C ATOM 443 O GLY A 33 9.354 20.866 6.933 1.00 0.65 O ATOM 0 H GLY A 33 10.718 21.806 9.874 1.00 0.73 H new ATOM 0 HA2 GLY A 33 11.448 20.156 8.597 1.00 0.71 H new ATOM 0 HA3 GLY A 33 10.300 19.151 9.457 1.00 0.71 H new ATOM 447 N CYS A 34 9.168 18.677 7.265 1.00 0.70 N ATOM 448 CA CYS A 34 8.380 18.484 6.059 1.00 0.69 C ATOM 449 C CYS A 34 7.112 17.721 6.312 1.00 0.65 C ATOM 450 O CYS A 34 7.157 16.518 6.553 1.00 0.62 O ATOM 451 CB CYS A 34 9.154 17.713 5.004 1.00 0.73 C ATOM 452 SG CYS A 34 8.695 18.137 3.303 1.00 1.08 S ATOM 0 H CYS A 34 9.347 17.830 7.805 1.00 0.70 H new ATOM 0 HA CYS A 34 8.144 19.490 5.713 1.00 0.69 H new ATOM 0 HB2 CYS A 34 10.219 17.899 5.140 1.00 0.73 H new ATOM 0 HB3 CYS A 34 8.995 16.646 5.158 1.00 0.73 H new ATOM 457 N PHE A 35 5.973 18.384 6.182 1.00 0.68 N ATOM 458 CA PHE A 35 4.748 17.705 6.331 1.00 0.67 C ATOM 459 C PHE A 35 4.494 17.137 4.969 1.00 0.64 C ATOM 460 O PHE A 35 4.142 17.869 4.041 1.00 0.63 O ATOM 461 CB PHE A 35 3.653 18.692 6.730 1.00 0.69 C ATOM 462 CG PHE A 35 3.774 19.204 8.141 1.00 0.73 C ATOM 463 CD1 PHE A 35 4.943 19.030 8.871 1.00 1.16 C ATOM 464 CD2 PHE A 35 2.707 19.843 8.746 1.00 0.98 C ATOM 465 CE1 PHE A 35 5.039 19.485 10.168 1.00 1.38 C ATOM 466 CE2 PHE A 35 2.799 20.299 10.045 1.00 1.21 C ATOM 467 CZ PHE A 35 3.965 20.120 10.756 1.00 1.26 C ATOM 0 H PHE A 35 5.897 19.380 5.976 1.00 0.68 H new ATOM 0 HA PHE A 35 4.765 16.937 7.104 1.00 0.67 H new ATOM 0 HB2 PHE A 35 3.674 19.539 6.044 1.00 0.69 H new ATOM 0 HB3 PHE A 35 2.683 18.210 6.611 1.00 0.69 H new ATOM 0 HD1 PHE A 35 5.787 18.532 8.416 1.00 1.16 H new ATOM 0 HD2 PHE A 35 1.790 19.987 8.194 1.00 0.98 H new ATOM 0 HE1 PHE A 35 5.954 19.345 10.724 1.00 1.38 H new ATOM 0 HE2 PHE A 35 1.957 20.796 10.504 1.00 1.21 H new ATOM 0 HZ PHE A 35 4.038 20.476 11.773 1.00 1.26 H new ATOM 477 N VAL A 36 4.683 15.852 4.821 1.00 0.67 N ATOM 478 CA VAL A 36 4.477 15.263 3.541 1.00 0.68 C ATOM 479 C VAL A 36 3.092 14.672 3.524 1.00 0.71 C ATOM 480 O VAL A 36 2.856 13.498 3.822 1.00 0.74 O ATOM 481 CB VAL A 36 5.590 14.248 3.171 1.00 0.74 C ATOM 482 CG1 VAL A 36 5.650 14.072 1.665 1.00 0.75 C ATOM 483 CG2 VAL A 36 6.954 14.728 3.704 1.00 0.76 C ATOM 0 H VAL A 36 4.973 15.211 5.559 1.00 0.67 H new ATOM 0 HA VAL A 36 4.546 16.023 2.762 1.00 0.68 H new ATOM 0 HB VAL A 36 5.356 13.288 3.632 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.434 13.358 1.413 1.00 0.75 H new ATOM 0 HG12 VAL A 36 4.691 13.701 1.304 1.00 0.75 H new ATOM 0 HG13 VAL A 36 5.868 15.031 1.195 1.00 0.75 H new ATOM 0 HG21 VAL A 36 7.724 14.005 3.436 1.00 0.76 H new ATOM 0 HG22 VAL A 36 7.196 15.696 3.265 1.00 0.76 H new ATOM 0 HG23 VAL A 36 6.908 14.823 4.789 1.00 0.76 H new ATOM 493 N GLY A 37 2.171 15.558 3.200 1.00 0.71 N ATOM 494 CA GLY A 37 0.760 15.191 3.134 1.00 0.76 C ATOM 495 C GLY A 37 -0.099 15.811 4.226 1.00 0.72 C ATOM 496 O GLY A 37 -0.251 15.241 5.302 1.00 0.81 O ATOM 0 H GLY A 37 2.367 16.534 2.978 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.364 15.489 2.163 1.00 0.76 H new ATOM 0 HA3 GLY A 37 0.676 14.106 3.193 1.00 0.76 H new ATOM 500 N THR A 38 -0.692 16.961 3.926 1.00 0.68 N ATOM 501 CA THR A 38 -1.576 17.651 4.866 1.00 0.68 C ATOM 502 C THR A 38 -2.078 18.950 4.254 1.00 0.72 C ATOM 503 O THR A 38 -1.583 19.380 3.212 1.00 0.77 O ATOM 504 CB THR A 38 -0.877 17.927 6.199 1.00 0.72 C ATOM 505 OG1 THR A 38 -1.447 19.056 6.846 1.00 0.77 O ATOM 506 CG2 THR A 38 0.602 18.172 6.059 1.00 0.76 C ATOM 0 H THR A 38 -0.577 17.440 3.033 1.00 0.68 H new ATOM 0 HA THR A 38 -2.425 16.997 5.068 1.00 0.68 H new ATOM 0 HB THR A 38 -1.022 17.023 6.791 1.00 0.72 H new ATOM 0 HG1 THR A 38 -0.986 19.213 7.697 1.00 0.77 H new ATOM 0 HG21 THR A 38 1.034 18.361 7.042 1.00 0.76 H new ATOM 0 HG22 THR A 38 1.076 17.296 5.617 1.00 0.76 H new ATOM 0 HG23 THR A 38 0.768 19.037 5.417 1.00 0.76 H new ATOM 514 N ALA A 39 -3.059 19.576 4.897 1.00 0.77 N ATOM 515 CA ALA A 39 -3.608 20.825 4.387 1.00 0.86 C ATOM 516 C ALA A 39 -2.585 21.955 4.494 1.00 0.82 C ATOM 517 O ALA A 39 -2.566 22.861 3.663 1.00 0.86 O ATOM 518 CB ALA A 39 -4.903 21.176 5.096 1.00 1.02 C ATOM 0 H ALA A 39 -3.485 19.243 5.762 1.00 0.77 H new ATOM 0 HA ALA A 39 -3.838 20.690 3.330 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -5.294 22.113 4.698 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -5.632 20.382 4.936 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -4.715 21.286 6.164 1.00 1.02 H new ATOM 524 N GLU A 40 -1.780 21.951 5.555 1.00 0.78 N ATOM 525 CA GLU A 40 -0.792 23.006 5.761 1.00 0.79 C ATOM 526 C GLU A 40 0.116 23.176 4.542 1.00 0.74 C ATOM 527 O GLU A 40 0.694 24.244 4.339 1.00 0.79 O ATOM 528 CB GLU A 40 0.062 22.690 6.993 1.00 0.82 C ATOM 529 CG GLU A 40 -0.437 23.351 8.268 1.00 1.25 C ATOM 530 CD GLU A 40 -1.407 22.476 9.035 1.00 1.55 C ATOM 531 OE1 GLU A 40 -2.534 22.261 8.540 1.00 2.32 O ATOM 532 OE2 GLU A 40 -1.042 22.005 10.133 1.00 1.91 O ATOM 0 H GLU A 40 -1.793 21.234 6.280 1.00 0.78 H new ATOM 0 HA GLU A 40 -1.334 23.940 5.914 1.00 0.79 H new ATOM 0 HB2 GLU A 40 0.087 21.610 7.140 1.00 0.82 H new ATOM 0 HB3 GLU A 40 1.087 23.010 6.805 1.00 0.82 H new ATOM 0 HG2 GLU A 40 0.414 23.590 8.906 1.00 1.25 H new ATOM 0 HG3 GLU A 40 -0.923 24.294 8.018 1.00 1.25 H new ATOM 539 N ALA A 41 0.249 22.121 3.740 1.00 0.70 N ATOM 540 CA ALA A 41 1.090 22.154 2.564 1.00 0.71 C ATOM 541 C ALA A 41 0.277 22.443 1.314 1.00 0.78 C ATOM 542 O ALA A 41 0.833 22.829 0.306 1.00 0.87 O ATOM 543 CB ALA A 41 1.841 20.837 2.419 1.00 0.77 C ATOM 0 H ALA A 41 -0.223 21.230 3.893 1.00 0.70 H new ATOM 0 HA ALA A 41 1.812 22.961 2.686 1.00 0.71 H new ATOM 0 HB1 ALA A 41 2.471 20.873 1.530 1.00 0.77 H new ATOM 0 HB2 ALA A 41 2.464 20.674 3.299 1.00 0.77 H new ATOM 0 HB3 ALA A 41 1.127 20.019 2.324 1.00 0.77 H new ATOM 549 N LEU A 42 -1.021 22.156 1.344 1.00 0.81 N ATOM 550 CA LEU A 42 -1.869 22.314 0.157 1.00 0.94 C ATOM 551 C LEU A 42 -1.503 23.536 -0.677 1.00 1.05 C ATOM 552 O LEU A 42 -1.353 23.417 -1.894 1.00 1.23 O ATOM 553 CB LEU A 42 -3.350 22.371 0.564 1.00 0.98 C ATOM 554 CG LEU A 42 -4.147 21.082 0.341 1.00 1.02 C ATOM 555 CD1 LEU A 42 -5.331 21.009 1.296 1.00 1.11 C ATOM 556 CD2 LEU A 42 -4.628 20.995 -1.098 1.00 1.16 C ATOM 0 H LEU A 42 -1.511 21.814 2.171 1.00 0.81 H new ATOM 0 HA LEU A 42 -1.695 21.441 -0.472 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -3.408 22.635 1.620 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -3.831 23.175 0.007 1.00 0.98 H new ATOM 0 HG LEU A 42 -3.488 20.237 0.541 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -5.883 20.086 1.121 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -4.970 21.026 2.325 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -5.988 21.862 1.127 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -5.192 20.073 -1.238 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -5.268 21.849 -1.320 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -3.769 21.000 -1.770 1.00 1.16 H new ATOM 568 N ARG A 43 -1.313 24.688 -0.053 1.00 1.04 N ATOM 569 CA ARG A 43 -0.909 25.870 -0.809 1.00 1.23 C ATOM 570 C ARG A 43 0.343 25.533 -1.619 1.00 1.24 C ATOM 571 O ARG A 43 0.634 26.163 -2.638 1.00 1.46 O ATOM 572 CB ARG A 43 -0.656 27.056 0.130 1.00 1.32 C ATOM 573 CG ARG A 43 0.457 26.820 1.141 1.00 1.34 C ATOM 574 CD ARG A 43 -0.059 26.187 2.427 1.00 1.50 C ATOM 575 NE ARG A 43 -1.106 26.982 3.069 1.00 1.88 N ATOM 576 CZ ARG A 43 -0.862 28.037 3.844 1.00 2.20 C ATOM 577 NH1 ARG A 43 0.376 28.492 3.978 1.00 2.39 N ATOM 578 NH2 ARG A 43 -1.858 28.653 4.465 1.00 2.92 N ATOM 0 H ARG A 43 -1.428 24.832 0.950 1.00 1.04 H new ATOM 0 HA ARG A 43 -1.710 26.161 -1.489 1.00 1.23 H new ATOM 0 HB2 ARG A 43 -0.409 27.933 -0.468 1.00 1.32 H new ATOM 0 HB3 ARG A 43 -1.577 27.284 0.666 1.00 1.32 H new ATOM 0 HG2 ARG A 43 1.216 26.174 0.699 1.00 1.34 H new ATOM 0 HG3 ARG A 43 0.941 27.768 1.374 1.00 1.34 H new ATOM 0 HD2 ARG A 43 -0.448 25.193 2.207 1.00 1.50 H new ATOM 0 HD3 ARG A 43 0.771 26.058 3.122 1.00 1.50 H new ATOM 0 HE ARG A 43 -2.078 26.713 2.914 1.00 1.88 H new ATOM 0 HH11 ARG A 43 1.144 28.034 3.487 1.00 2.39 H new ATOM 0 HH12 ARG A 43 0.561 29.300 4.572 1.00 2.39 H new ATOM 0 HH21 ARG A 43 -2.815 28.319 4.350 1.00 2.92 H new ATOM 0 HH22 ARG A 43 -1.667 29.461 5.058 1.00 2.92 H new ATOM 592 N CYS A 44 1.096 24.551 -1.126 1.00 1.08 N ATOM 593 CA CYS A 44 2.333 24.155 -1.798 1.00 1.15 C ATOM 594 C CYS A 44 2.050 23.748 -3.239 1.00 1.41 C ATOM 595 O CYS A 44 2.951 23.751 -4.073 1.00 1.57 O ATOM 596 CB CYS A 44 3.045 23.007 -1.079 1.00 1.04 C ATOM 597 SG CYS A 44 3.730 23.432 0.553 1.00 1.28 S ATOM 0 H CYS A 44 0.878 24.024 -0.281 1.00 1.08 H new ATOM 0 HA CYS A 44 2.992 25.023 -1.779 1.00 1.15 H new ATOM 0 HB2 CYS A 44 2.343 22.182 -0.958 1.00 1.04 H new ATOM 0 HB3 CYS A 44 3.854 22.646 -1.714 1.00 1.04 H new ATOM 602 N GLN A 45 0.797 23.405 -3.525 1.00 1.55 N ATOM 603 CA GLN A 45 0.382 23.001 -4.868 1.00 1.86 C ATOM 604 C GLN A 45 1.055 23.831 -5.967 1.00 2.09 C ATOM 605 O GLN A 45 1.527 23.283 -6.965 1.00 2.35 O ATOM 606 CB GLN A 45 -1.138 23.125 -4.998 1.00 1.97 C ATOM 607 CG GLN A 45 -1.723 22.311 -6.139 1.00 2.40 C ATOM 608 CD GLN A 45 -3.238 22.348 -6.161 1.00 2.73 C ATOM 609 OE1 GLN A 45 -3.841 23.190 -6.828 1.00 3.31 O ATOM 610 NE2 GLN A 45 -3.863 21.433 -5.429 1.00 3.02 N ATOM 0 H GLN A 45 0.043 23.399 -2.838 1.00 1.55 H new ATOM 0 HA GLN A 45 0.694 21.965 -5.002 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -1.600 22.808 -4.063 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -1.397 24.174 -5.142 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -1.340 22.691 -7.086 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -1.389 21.277 -6.052 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -3.324 20.754 -4.892 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -4.882 21.409 -5.404 1.00 3.02 H new ATOM 619 N GLU A 46 1.105 25.152 -5.798 1.00 2.07 N ATOM 620 CA GLU A 46 1.718 25.997 -6.827 1.00 2.35 C ATOM 621 C GLU A 46 3.217 26.136 -6.597 1.00 2.34 C ATOM 622 O GLU A 46 3.956 26.623 -7.459 1.00 2.50 O ATOM 623 CB GLU A 46 1.066 27.381 -6.828 1.00 2.41 C ATOM 624 CG GLU A 46 1.294 28.164 -8.110 1.00 2.80 C ATOM 625 CD GLU A 46 0.122 28.067 -9.066 1.00 3.19 C ATOM 626 OE1 GLU A 46 -0.876 28.790 -8.859 1.00 3.53 O ATOM 627 OE2 GLU A 46 0.200 27.267 -10.022 1.00 3.69 O ATOM 0 H GLU A 46 0.741 25.650 -4.986 1.00 2.07 H new ATOM 0 HA GLU A 46 1.559 25.521 -7.795 1.00 2.35 H new ATOM 0 HB2 GLU A 46 -0.006 27.268 -6.668 1.00 2.41 H new ATOM 0 HB3 GLU A 46 1.455 27.956 -5.988 1.00 2.41 H new ATOM 0 HG2 GLU A 46 1.473 29.211 -7.865 1.00 2.80 H new ATOM 0 HG3 GLU A 46 2.193 27.793 -8.603 1.00 2.80 H new ATOM 634 N GLU A 47 3.677 25.629 -5.467 1.00 2.22 N ATOM 635 CA GLU A 47 5.087 25.644 -5.163 1.00 2.31 C ATOM 636 C GLU A 47 5.756 24.431 -5.798 1.00 2.34 C ATOM 637 O GLU A 47 6.942 24.185 -5.604 1.00 2.42 O ATOM 638 CB GLU A 47 5.306 25.685 -3.653 1.00 2.37 C ATOM 639 CG GLU A 47 5.104 27.077 -3.074 1.00 2.96 C ATOM 640 CD GLU A 47 3.641 27.453 -2.951 1.00 3.45 C ATOM 641 OE1 GLU A 47 3.028 27.796 -3.983 1.00 3.68 O ATOM 642 OE2 GLU A 47 3.110 27.407 -1.822 1.00 3.99 O ATOM 0 H GLU A 47 3.091 25.203 -4.749 1.00 2.22 H new ATOM 0 HA GLU A 47 5.542 26.542 -5.580 1.00 2.31 H new ATOM 0 HB2 GLU A 47 4.618 24.991 -3.170 1.00 2.37 H new ATOM 0 HB3 GLU A 47 6.316 25.343 -3.426 1.00 2.37 H new ATOM 0 HG2 GLU A 47 5.572 27.128 -2.091 1.00 2.96 H new ATOM 0 HG3 GLU A 47 5.610 27.806 -3.707 1.00 2.96 H new ATOM 649 N ASN A 48 4.979 23.694 -6.594 1.00 2.53 N ATOM 650 CA ASN A 48 5.491 22.543 -7.306 1.00 2.96 C ATOM 651 C ASN A 48 6.401 23.011 -8.438 1.00 3.29 C ATOM 652 O ASN A 48 7.286 22.277 -8.880 1.00 3.76 O ATOM 653 CB ASN A 48 4.343 21.688 -7.856 1.00 3.12 C ATOM 654 CG ASN A 48 3.699 22.294 -9.090 1.00 3.42 C ATOM 655 OD1 ASN A 48 3.171 23.405 -9.047 1.00 3.86 O ATOM 656 ND2 ASN A 48 3.741 21.564 -10.199 1.00 3.75 N ATOM 0 H ASN A 48 3.990 23.883 -6.756 1.00 2.53 H new ATOM 0 HA ASN A 48 6.065 21.925 -6.616 1.00 2.96 H new ATOM 0 HB2 ASN A 48 4.720 20.694 -8.099 1.00 3.12 H new ATOM 0 HB3 ASN A 48 3.586 21.562 -7.082 1.00 3.12 H new ATOM 0 HD21 ASN A 48 3.325 21.920 -11.060 1.00 3.75 H new ATOM 0 HD22 ASN A 48 4.189 20.648 -10.190 1.00 3.75 H new ATOM 663 N TYR A 49 6.151 24.234 -8.927 1.00 3.15 N ATOM 664 CA TYR A 49 6.918 24.807 -10.045 1.00 3.51 C ATOM 665 C TYR A 49 8.449 24.762 -9.862 1.00 3.62 C ATOM 666 O TYR A 49 9.174 25.329 -10.678 1.00 4.04 O ATOM 667 CB TYR A 49 6.482 26.255 -10.281 1.00 3.61 C ATOM 668 CG TYR A 49 6.888 26.795 -11.635 1.00 3.97 C ATOM 669 CD1 TYR A 49 6.372 26.252 -12.804 1.00 4.19 C ATOM 670 CD2 TYR A 49 7.794 27.843 -11.743 1.00 4.52 C ATOM 671 CE1 TYR A 49 6.747 26.738 -14.042 1.00 4.70 C ATOM 672 CE2 TYR A 49 8.173 28.336 -12.978 1.00 5.05 C ATOM 673 CZ TYR A 49 7.647 27.779 -14.125 1.00 5.03 C ATOM 674 OH TYR A 49 8.022 28.266 -15.356 1.00 5.68 O ATOM 0 H TYR A 49 5.421 24.848 -8.565 1.00 3.15 H new ATOM 0 HA TYR A 49 6.696 24.179 -10.907 1.00 3.51 H new ATOM 0 HB2 TYR A 49 5.398 26.320 -10.183 1.00 3.61 H new ATOM 0 HB3 TYR A 49 6.911 26.887 -9.503 1.00 3.61 H new ATOM 0 HD1 TYR A 49 5.666 25.437 -12.745 1.00 4.19 H new ATOM 0 HD2 TYR A 49 8.209 28.280 -10.847 1.00 4.52 H new ATOM 0 HE1 TYR A 49 6.336 26.304 -14.942 1.00 4.70 H new ATOM 0 HE2 TYR A 49 8.877 29.152 -13.044 1.00 5.05 H new ATOM 0 HH TYR A 49 8.661 28.999 -15.237 1.00 5.68 H new ATOM 684 N LEU A 50 8.953 24.080 -8.830 1.00 3.50 N ATOM 685 CA LEU A 50 10.401 23.978 -8.627 1.00 3.67 C ATOM 686 C LEU A 50 10.807 22.530 -8.333 1.00 3.63 C ATOM 687 O LEU A 50 10.176 21.853 -7.521 1.00 3.79 O ATOM 688 CB LEU A 50 10.901 24.920 -7.518 1.00 4.02 C ATOM 689 CG LEU A 50 9.993 25.102 -6.297 1.00 4.66 C ATOM 690 CD1 LEU A 50 8.799 25.987 -6.629 1.00 4.84 C ATOM 691 CD2 LEU A 50 9.546 23.758 -5.745 1.00 5.40 C ATOM 0 H LEU A 50 8.389 23.596 -8.131 1.00 3.50 H new ATOM 0 HA LEU A 50 10.878 24.293 -9.555 1.00 3.67 H new ATOM 0 HB2 LEU A 50 11.866 24.551 -7.170 1.00 4.02 H new ATOM 0 HB3 LEU A 50 11.075 25.901 -7.960 1.00 4.02 H new ATOM 0 HG LEU A 50 10.571 25.604 -5.521 1.00 4.66 H new ATOM 0 HD11 LEU A 50 8.172 26.099 -5.744 1.00 4.84 H new ATOM 0 HD12 LEU A 50 9.151 26.967 -6.951 1.00 4.84 H new ATOM 0 HD13 LEU A 50 8.218 25.529 -7.430 1.00 4.84 H new ATOM 0 HD21 LEU A 50 8.903 23.916 -4.879 1.00 5.40 H new ATOM 0 HD22 LEU A 50 8.995 23.215 -6.512 1.00 5.40 H new ATOM 0 HD23 LEU A 50 10.420 23.178 -5.447 1.00 5.40 H new ATOM 703 N PRO A 51 11.853 22.024 -9.015 1.00 3.88 N ATOM 704 CA PRO A 51 12.323 20.649 -8.842 1.00 4.25 C ATOM 705 C PRO A 51 13.327 20.490 -7.702 1.00 4.32 C ATOM 706 O PRO A 51 13.950 19.436 -7.566 1.00 4.70 O ATOM 707 CB PRO A 51 12.994 20.362 -10.180 1.00 4.88 C ATOM 708 CG PRO A 51 13.546 21.678 -10.615 1.00 4.92 C ATOM 709 CD PRO A 51 12.650 22.744 -10.028 1.00 4.30 C ATOM 0 HA PRO A 51 11.510 19.971 -8.581 1.00 4.25 H new ATOM 0 HB2 PRO A 51 13.782 19.616 -10.076 1.00 4.88 H new ATOM 0 HB3 PRO A 51 12.280 19.972 -10.906 1.00 4.88 H new ATOM 0 HG2 PRO A 51 14.572 21.801 -10.267 1.00 4.92 H new ATOM 0 HG3 PRO A 51 13.568 21.747 -11.703 1.00 4.92 H new ATOM 0 HD2 PRO A 51 13.230 23.550 -9.580 1.00 4.30 H new ATOM 0 HD3 PRO A 51 12.014 23.194 -10.790 1.00 4.30 H new ATOM 717 N SER A 52 13.482 21.533 -6.885 1.00 4.18 N ATOM 718 CA SER A 52 14.417 21.502 -5.758 1.00 4.35 C ATOM 719 C SER A 52 14.765 22.916 -5.284 1.00 3.79 C ATOM 720 O SER A 52 14.677 23.219 -4.095 1.00 3.48 O ATOM 721 CB SER A 52 15.709 20.764 -6.139 1.00 4.83 C ATOM 722 OG SER A 52 15.996 20.905 -7.519 1.00 5.64 O ATOM 0 H SER A 52 12.972 22.411 -6.982 1.00 4.18 H new ATOM 0 HA SER A 52 13.923 20.969 -4.945 1.00 4.35 H new ATOM 0 HB2 SER A 52 16.540 21.154 -5.551 1.00 4.83 H new ATOM 0 HB3 SER A 52 15.613 19.707 -5.892 1.00 4.83 H new ATOM 0 HG SER A 52 15.618 20.147 -8.011 1.00 5.64 H new ATOM 728 N PRO A 53 15.193 23.791 -6.213 1.00 3.98 N ATOM 729 CA PRO A 53 15.590 25.171 -5.894 1.00 3.75 C ATOM 730 C PRO A 53 14.522 25.994 -5.167 1.00 2.89 C ATOM 731 O PRO A 53 13.424 26.207 -5.678 1.00 2.99 O ATOM 732 CB PRO A 53 15.884 25.792 -7.272 1.00 4.57 C ATOM 733 CG PRO A 53 15.288 24.862 -8.266 1.00 5.04 C ATOM 734 CD PRO A 53 15.362 23.505 -7.647 1.00 4.80 C ATOM 0 HA PRO A 53 16.432 25.168 -5.202 1.00 3.75 H new ATOM 0 HB2 PRO A 53 15.446 26.787 -7.355 1.00 4.57 H new ATOM 0 HB3 PRO A 53 16.957 25.901 -7.432 1.00 4.57 H new ATOM 0 HG2 PRO A 53 14.256 25.135 -8.488 1.00 5.04 H new ATOM 0 HG3 PRO A 53 15.836 24.893 -9.208 1.00 5.04 H new ATOM 0 HD2 PRO A 53 14.580 22.846 -8.023 1.00 4.80 H new ATOM 0 HD3 PRO A 53 16.315 23.018 -7.853 1.00 4.80 H new ATOM 742 N CYS A 54 14.885 26.483 -3.979 1.00 2.53 N ATOM 743 CA CYS A 54 14.006 27.324 -3.165 1.00 2.00 C ATOM 744 C CYS A 54 14.733 27.744 -1.874 1.00 2.22 C ATOM 745 O CYS A 54 14.974 26.921 -0.990 1.00 2.72 O ATOM 746 CB CYS A 54 12.673 26.601 -2.895 1.00 2.36 C ATOM 747 SG CYS A 54 12.400 26.026 -1.186 1.00 2.74 S ATOM 0 H CYS A 54 15.796 26.307 -3.555 1.00 2.53 H new ATOM 0 HA CYS A 54 13.761 28.237 -3.707 1.00 2.00 H new ATOM 0 HB2 CYS A 54 11.858 27.273 -3.165 1.00 2.36 H new ATOM 0 HB3 CYS A 54 12.609 25.740 -3.560 1.00 2.36 H new ATOM 752 N GLN A 55 15.130 29.024 -1.806 1.00 2.24 N ATOM 753 CA GLN A 55 15.881 29.564 -0.666 1.00 2.74 C ATOM 754 C GLN A 55 16.821 28.521 -0.036 1.00 2.26 C ATOM 755 O GLN A 55 17.249 27.583 -0.709 1.00 2.47 O ATOM 756 CB GLN A 55 14.954 30.214 0.366 1.00 3.51 C ATOM 757 CG GLN A 55 14.045 29.261 1.111 1.00 4.44 C ATOM 758 CD GLN A 55 13.304 29.966 2.234 1.00 5.23 C ATOM 759 OE1 GLN A 55 12.245 30.556 2.021 1.00 5.71 O ATOM 760 NE2 GLN A 55 13.865 29.917 3.436 1.00 5.75 N ATOM 0 H GLN A 55 14.940 29.710 -2.537 1.00 2.24 H new ATOM 0 HA GLN A 55 16.524 30.353 -1.055 1.00 2.74 H new ATOM 0 HB2 GLN A 55 15.565 30.749 1.093 1.00 3.51 H new ATOM 0 HB3 GLN A 55 14.337 30.956 -0.141 1.00 3.51 H new ATOM 0 HG2 GLN A 55 13.327 28.824 0.417 1.00 4.44 H new ATOM 0 HG3 GLN A 55 14.633 28.440 1.520 1.00 4.44 H new ATOM 0 HE21 GLN A 55 14.744 29.417 3.569 1.00 5.75 H new ATOM 0 HE22 GLN A 55 13.417 30.380 4.227 1.00 5.75 H new ATOM 769 N SER A 56 17.169 28.703 1.237 1.00 2.28 N ATOM 770 CA SER A 56 18.089 27.800 1.928 1.00 2.07 C ATOM 771 C SER A 56 17.404 26.520 2.410 1.00 1.82 C ATOM 772 O SER A 56 16.663 26.527 3.394 1.00 2.22 O ATOM 773 CB SER A 56 18.729 28.524 3.114 1.00 2.60 C ATOM 774 OG SER A 56 19.980 27.948 3.448 1.00 3.12 O ATOM 0 H SER A 56 16.826 29.471 1.813 1.00 2.28 H new ATOM 0 HA SER A 56 18.854 27.505 1.210 1.00 2.07 H new ATOM 0 HB2 SER A 56 18.864 29.578 2.871 1.00 2.60 H new ATOM 0 HB3 SER A 56 18.062 28.478 3.975 1.00 2.60 H new ATOM 0 HG SER A 56 20.369 28.429 4.208 1.00 3.12 H new ATOM 780 N GLY A 57 17.677 25.418 1.716 1.00 1.58 N ATOM 781 CA GLY A 57 17.112 24.130 2.063 1.00 1.86 C ATOM 782 C GLY A 57 17.267 23.154 0.913 1.00 1.68 C ATOM 783 O GLY A 57 16.408 22.307 0.679 1.00 2.10 O ATOM 0 H GLY A 57 18.293 25.399 0.903 1.00 1.58 H new ATOM 0 HA2 GLY A 57 17.607 23.736 2.951 1.00 1.86 H new ATOM 0 HA3 GLY A 57 16.057 24.244 2.311 1.00 1.86 H new ATOM 787 N GLN A 58 18.384 23.279 0.202 1.00 1.37 N ATOM 788 CA GLN A 58 18.702 22.434 -0.919 1.00 1.46 C ATOM 789 C GLN A 58 20.040 21.766 -0.671 1.00 1.08 C ATOM 790 O GLN A 58 21.085 22.249 -1.090 1.00 1.00 O ATOM 791 CB GLN A 58 18.729 23.245 -2.216 1.00 1.97 C ATOM 792 CG GLN A 58 18.351 22.439 -3.448 1.00 2.80 C ATOM 793 CD GLN A 58 19.539 22.153 -4.343 1.00 3.61 C ATOM 794 OE1 GLN A 58 20.006 21.017 -4.432 1.00 3.96 O ATOM 795 NE2 GLN A 58 20.036 23.186 -5.011 1.00 4.36 N ATOM 0 H GLN A 58 19.096 23.982 0.400 1.00 1.37 H new ATOM 0 HA GLN A 58 17.933 21.669 -1.026 1.00 1.46 H new ATOM 0 HB2 GLN A 58 18.046 24.089 -2.121 1.00 1.97 H new ATOM 0 HB3 GLN A 58 19.728 23.658 -2.355 1.00 1.97 H new ATOM 0 HG2 GLN A 58 17.900 21.497 -3.137 1.00 2.80 H new ATOM 0 HG3 GLN A 58 17.595 22.982 -4.016 1.00 2.80 H new ATOM 0 HE21 GLN A 58 19.617 24.110 -4.907 1.00 4.36 H new ATOM 0 HE22 GLN A 58 20.837 23.056 -5.629 1.00 4.36 H new ATOM 804 N LYS A 59 19.989 20.635 -0.041 1.00 1.17 N ATOM 805 CA LYS A 59 21.191 19.878 0.302 1.00 1.13 C ATOM 806 C LYS A 59 20.893 18.443 -0.045 1.00 0.95 C ATOM 807 O LYS A 59 20.479 17.633 0.778 1.00 0.88 O ATOM 808 CB LYS A 59 21.473 19.975 1.819 1.00 1.54 C ATOM 809 CG LYS A 59 22.942 20.126 2.184 1.00 1.90 C ATOM 810 CD LYS A 59 23.134 20.269 3.692 1.00 2.17 C ATOM 811 CE LYS A 59 23.966 19.130 4.263 1.00 2.82 C ATOM 812 NZ LYS A 59 23.114 18.023 4.782 1.00 3.55 N ATOM 0 H LYS A 59 19.119 20.194 0.259 1.00 1.17 H new ATOM 0 HA LYS A 59 22.059 20.263 -0.233 1.00 1.13 H new ATOM 0 HB2 LYS A 59 20.923 20.825 2.223 1.00 1.54 H new ATOM 0 HB3 LYS A 59 21.082 19.081 2.305 1.00 1.54 H new ATOM 0 HG2 LYS A 59 23.497 19.259 1.826 1.00 1.90 H new ATOM 0 HG3 LYS A 59 23.355 20.999 1.679 1.00 1.90 H new ATOM 0 HD2 LYS A 59 23.621 21.220 3.908 1.00 2.17 H new ATOM 0 HD3 LYS A 59 22.161 20.290 4.183 1.00 2.17 H new ATOM 0 HE2 LYS A 59 24.631 18.744 3.491 1.00 2.82 H new ATOM 0 HE3 LYS A 59 24.597 19.509 5.067 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 23.720 17.268 5.162 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 22.497 18.385 5.537 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 22.530 17.643 4.010 1.00 3.55 H new ATOM 826 N PRO A 60 21.055 18.159 -1.363 1.00 1.06 N ATOM 827 CA PRO A 60 20.777 16.851 -1.955 1.00 1.15 C ATOM 828 C PRO A 60 21.522 15.699 -1.301 1.00 1.10 C ATOM 829 O PRO A 60 22.727 15.525 -1.476 1.00 1.23 O ATOM 830 CB PRO A 60 21.198 17.003 -3.426 1.00 1.48 C ATOM 831 CG PRO A 60 22.021 18.244 -3.478 1.00 1.54 C ATOM 832 CD PRO A 60 21.482 19.129 -2.394 1.00 1.30 C ATOM 0 HA PRO A 60 19.727 16.592 -1.821 1.00 1.15 H new ATOM 0 HB2 PRO A 60 21.770 16.138 -3.762 1.00 1.48 H new ATOM 0 HB3 PRO A 60 20.328 17.082 -4.077 1.00 1.48 H new ATOM 0 HG2 PRO A 60 23.076 18.022 -3.315 1.00 1.54 H new ATOM 0 HG3 PRO A 60 21.943 18.726 -4.453 1.00 1.54 H new ATOM 0 HD2 PRO A 60 22.241 19.814 -2.016 1.00 1.30 H new ATOM 0 HD3 PRO A 60 20.650 19.739 -2.746 1.00 1.30 H new ATOM 840 N CYS A 61 20.761 14.909 -0.556 1.00 1.08 N ATOM 841 CA CYS A 61 21.273 13.737 0.135 1.00 1.13 C ATOM 842 C CYS A 61 20.223 12.625 0.135 1.00 1.36 C ATOM 843 O CYS A 61 19.031 12.913 -0.051 1.00 1.54 O ATOM 844 CB CYS A 61 21.618 14.109 1.586 1.00 1.30 C ATOM 845 SG CYS A 61 20.294 13.766 2.810 1.00 1.59 S ATOM 0 H CYS A 61 19.763 15.066 -0.414 1.00 1.08 H new ATOM 0 HA CYS A 61 22.167 13.384 -0.379 1.00 1.13 H new ATOM 0 HB2 CYS A 61 22.515 13.565 1.881 1.00 1.30 H new ATOM 0 HB3 CYS A 61 21.862 15.171 1.625 1.00 1.30 H new ATOM 850 N GLY A 62 20.623 11.347 0.136 1.00 1.60 N ATOM 851 CA GLY A 62 19.635 10.302 -0.018 1.00 1.92 C ATOM 852 C GLY A 62 19.262 10.166 -1.473 1.00 2.10 C ATOM 853 O GLY A 62 20.007 10.643 -2.329 1.00 2.43 O ATOM 0 H GLY A 62 21.588 11.031 0.238 1.00 1.60 H new ATOM 0 HA2 GLY A 62 20.029 9.357 0.356 1.00 1.92 H new ATOM 0 HA3 GLY A 62 18.750 10.535 0.574 1.00 1.92 H new ATOM 857 N SER A 63 18.196 9.448 -1.791 1.00 2.43 N ATOM 858 CA SER A 63 17.880 9.220 -3.192 1.00 2.98 C ATOM 859 C SER A 63 17.423 10.496 -3.904 1.00 2.74 C ATOM 860 O SER A 63 16.282 10.595 -4.350 1.00 3.32 O ATOM 861 CB SER A 63 16.812 8.132 -3.316 1.00 3.86 C ATOM 862 OG SER A 63 17.151 7.195 -4.323 1.00 4.11 O ATOM 0 H SER A 63 17.553 9.025 -1.122 1.00 2.43 H new ATOM 0 HA SER A 63 18.796 8.892 -3.683 1.00 2.98 H new ATOM 0 HB2 SER A 63 16.699 7.619 -2.361 1.00 3.86 H new ATOM 0 HB3 SER A 63 15.850 8.588 -3.549 1.00 3.86 H new ATOM 0 HG SER A 63 16.453 6.510 -4.380 1.00 4.11 H new ATOM 868 N GLY A 64 18.341 11.452 -4.046 1.00 2.15 N ATOM 869 CA GLY A 64 18.032 12.692 -4.753 1.00 2.11 C ATOM 870 C GLY A 64 17.293 13.723 -3.916 1.00 1.92 C ATOM 871 O GLY A 64 16.671 14.635 -4.462 1.00 2.21 O ATOM 0 H GLY A 64 19.293 11.392 -3.685 1.00 2.15 H new ATOM 0 HA2 GLY A 64 18.962 13.133 -5.113 1.00 2.11 H new ATOM 0 HA3 GLY A 64 17.431 12.456 -5.631 1.00 2.11 H new ATOM 875 N GLY A 65 17.271 13.505 -2.614 1.00 1.62 N ATOM 876 CA GLY A 65 16.500 14.385 -1.752 1.00 1.62 C ATOM 877 C GLY A 65 17.333 15.406 -1.034 1.00 1.43 C ATOM 878 O GLY A 65 18.279 15.071 -0.337 1.00 1.62 O ATOM 0 H GLY A 65 17.763 12.748 -2.139 1.00 1.62 H new ATOM 0 HA2 GLY A 65 15.748 14.899 -2.351 1.00 1.62 H new ATOM 0 HA3 GLY A 65 15.966 13.783 -1.017 1.00 1.62 H new ATOM 882 N ARG A 66 17.000 16.678 -1.252 1.00 1.17 N ATOM 883 CA ARG A 66 17.738 17.772 -0.638 1.00 1.03 C ATOM 884 C ARG A 66 17.176 18.070 0.744 1.00 0.94 C ATOM 885 O ARG A 66 15.998 17.815 0.998 1.00 1.04 O ATOM 886 CB ARG A 66 17.753 19.026 -1.521 1.00 1.10 C ATOM 887 CG ARG A 66 16.456 19.295 -2.265 1.00 1.26 C ATOM 888 CD ARG A 66 16.441 18.638 -3.636 1.00 1.41 C ATOM 889 NE ARG A 66 17.653 18.918 -4.405 1.00 1.78 N ATOM 890 CZ ARG A 66 18.091 18.150 -5.404 1.00 2.30 C ATOM 891 NH1 ARG A 66 17.429 17.050 -5.743 1.00 2.55 N ATOM 892 NH2 ARG A 66 19.191 18.482 -6.065 1.00 3.02 N ATOM 0 H ARG A 66 16.226 16.972 -1.848 1.00 1.17 H new ATOM 0 HA ARG A 66 18.776 17.458 -0.531 1.00 1.03 H new ATOM 0 HB2 ARG A 66 17.984 19.890 -0.898 1.00 1.10 H new ATOM 0 HB3 ARG A 66 18.560 18.932 -2.248 1.00 1.10 H new ATOM 0 HG2 ARG A 66 15.617 18.925 -1.676 1.00 1.26 H new ATOM 0 HG3 ARG A 66 16.318 20.370 -2.376 1.00 1.26 H new ATOM 0 HD2 ARG A 66 16.331 17.560 -3.517 1.00 1.41 H new ATOM 0 HD3 ARG A 66 15.572 18.988 -4.193 1.00 1.41 H new ATOM 0 HE ARG A 66 18.194 19.748 -4.164 1.00 1.78 H new ATOM 0 HH11 ARG A 66 16.582 16.789 -5.239 1.00 2.55 H new ATOM 0 HH12 ARG A 66 17.768 16.466 -6.508 1.00 2.55 H new ATOM 0 HH21 ARG A 66 19.704 19.326 -5.810 1.00 3.02 H new ATOM 0 HH22 ARG A 66 19.524 17.894 -6.829 1.00 3.02 H new ATOM 906 N CYS A 67 18.007 18.593 1.651 1.00 0.87 N ATOM 907 CA CYS A 67 17.551 18.880 2.968 1.00 0.87 C ATOM 908 C CYS A 67 16.559 19.985 2.898 1.00 0.88 C ATOM 909 O CYS A 67 16.911 21.151 2.730 1.00 0.93 O ATOM 910 CB CYS A 67 18.714 19.272 3.883 1.00 0.93 C ATOM 911 SG CYS A 67 18.842 18.261 5.390 1.00 1.52 S ATOM 0 H CYS A 67 18.987 18.816 1.477 1.00 0.87 H new ATOM 0 HA CYS A 67 17.089 17.987 3.388 1.00 0.87 H new ATOM 0 HB2 CYS A 67 19.646 19.192 3.324 1.00 0.93 H new ATOM 0 HB3 CYS A 67 18.602 20.318 4.168 1.00 0.93 H new ATOM 916 N ALA A 68 15.327 19.627 3.081 1.00 0.91 N ATOM 917 CA ALA A 68 14.299 20.602 3.083 1.00 0.98 C ATOM 918 C ALA A 68 14.103 21.042 4.492 1.00 0.98 C ATOM 919 O ALA A 68 13.612 22.143 4.748 1.00 1.07 O ATOM 920 CB ALA A 68 13.004 20.031 2.522 1.00 0.98 C ATOM 0 H ALA A 68 15.016 18.667 3.230 1.00 0.91 H new ATOM 0 HA ALA A 68 14.581 21.444 2.451 1.00 0.98 H new ATOM 0 HB1 ALA A 68 12.232 20.800 2.535 1.00 0.98 H new ATOM 0 HB2 ALA A 68 13.167 19.698 1.497 1.00 0.98 H new ATOM 0 HB3 ALA A 68 12.685 19.186 3.132 1.00 0.98 H new ATOM 926 N ALA A 69 14.485 20.181 5.441 1.00 0.92 N ATOM 927 CA ALA A 69 14.308 20.475 6.850 1.00 0.96 C ATOM 928 C ALA A 69 15.066 19.432 7.704 1.00 0.92 C ATOM 929 O ALA A 69 15.438 18.368 7.209 1.00 0.87 O ATOM 930 CB ALA A 69 12.843 20.449 7.192 1.00 1.00 C ATOM 0 H ALA A 69 14.918 19.277 5.250 1.00 0.92 H new ATOM 0 HA ALA A 69 14.709 21.466 7.063 1.00 0.96 H new ATOM 0 HB1 ALA A 69 12.713 20.670 8.251 1.00 1.00 H new ATOM 0 HB2 ALA A 69 12.317 21.197 6.598 1.00 1.00 H new ATOM 0 HB3 ALA A 69 12.436 19.461 6.975 1.00 1.00 H new ATOM 936 N ALA A 70 15.291 19.743 8.973 1.00 0.98 N ATOM 937 CA ALA A 70 16.006 18.848 9.904 1.00 1.00 C ATOM 938 C ALA A 70 15.720 17.342 9.733 1.00 1.04 C ATOM 939 O ALA A 70 14.573 16.901 9.779 1.00 1.24 O ATOM 940 CB ALA A 70 15.687 19.229 11.333 1.00 1.15 C ATOM 0 H ALA A 70 14.988 20.620 9.397 1.00 0.98 H new ATOM 0 HA ALA A 70 17.059 18.989 9.661 1.00 1.00 H new ATOM 0 HB1 ALA A 70 16.218 18.564 12.014 1.00 1.15 H new ATOM 0 HB2 ALA A 70 15.999 20.258 11.513 1.00 1.15 H new ATOM 0 HB3 ALA A 70 14.614 19.140 11.502 1.00 1.15 H new ATOM 946 N GLY A 71 16.804 16.563 9.591 1.00 1.15 N ATOM 947 CA GLY A 71 16.742 15.109 9.474 1.00 1.27 C ATOM 948 C GLY A 71 15.931 14.569 8.307 1.00 1.21 C ATOM 949 O GLY A 71 15.909 13.360 8.080 1.00 1.28 O ATOM 0 H GLY A 71 17.753 16.934 9.555 1.00 1.15 H new ATOM 0 HA2 GLY A 71 17.760 14.727 9.391 1.00 1.27 H new ATOM 0 HA3 GLY A 71 16.325 14.707 10.397 1.00 1.27 H new ATOM 953 N ILE A 72 15.252 15.434 7.582 1.00 1.12 N ATOM 954 CA ILE A 72 14.415 14.997 6.462 1.00 1.08 C ATOM 955 C ILE A 72 14.902 15.568 5.132 1.00 1.03 C ATOM 956 O ILE A 72 14.727 16.751 4.834 1.00 1.36 O ATOM 957 CB ILE A 72 12.965 15.378 6.734 1.00 1.52 C ATOM 958 CG1 ILE A 72 12.831 16.880 6.860 1.00 1.09 C ATOM 959 CG2 ILE A 72 12.472 14.676 7.989 1.00 2.27 C ATOM 960 CD1 ILE A 72 12.107 17.454 5.695 1.00 0.92 C ATOM 0 H ILE A 72 15.257 16.442 7.740 1.00 1.12 H new ATOM 0 HA ILE A 72 14.487 13.913 6.377 1.00 1.08 H new ATOM 0 HB ILE A 72 12.347 15.056 5.896 1.00 1.52 H new ATOM 0 HG12 ILE A 72 12.299 17.125 7.779 1.00 1.09 H new ATOM 0 HG13 ILE A 72 13.820 17.331 6.935 1.00 1.09 H new ATOM 0 HG21 ILE A 72 11.435 14.953 8.177 1.00 2.27 H new ATOM 0 HG22 ILE A 72 12.540 13.597 7.853 1.00 2.27 H new ATOM 0 HG23 ILE A 72 13.087 14.974 8.838 1.00 2.27 H new ATOM 0 HD11 ILE A 72 12.026 18.535 5.813 1.00 0.92 H new ATOM 0 HD12 ILE A 72 12.654 17.229 4.780 1.00 0.92 H new ATOM 0 HD13 ILE A 72 11.109 17.020 5.637 1.00 0.92 H new ATOM 972 N CYS A 73 15.519 14.697 4.338 1.00 0.82 N ATOM 973 CA CYS A 73 16.043 15.061 3.026 1.00 1.07 C ATOM 974 C CYS A 73 14.972 14.791 1.976 1.00 1.08 C ATOM 975 O CYS A 73 14.683 13.634 1.668 1.00 1.21 O ATOM 976 CB CYS A 73 17.292 14.220 2.712 1.00 1.19 C ATOM 977 SG CYS A 73 18.844 15.155 2.461 1.00 1.98 S ATOM 0 H CYS A 73 15.669 13.719 4.587 1.00 0.82 H new ATOM 0 HA CYS A 73 16.314 16.117 3.019 1.00 1.07 H new ATOM 0 HB2 CYS A 73 17.445 13.513 3.528 1.00 1.19 H new ATOM 0 HB3 CYS A 73 17.095 13.634 1.815 1.00 1.19 H new ATOM 982 N CYS A 74 14.356 15.843 1.445 1.00 0.98 N ATOM 983 CA CYS A 74 13.300 15.651 0.462 1.00 0.99 C ATOM 984 C CYS A 74 13.485 16.481 -0.799 1.00 1.15 C ATOM 985 O CYS A 74 14.317 17.385 -0.871 1.00 1.33 O ATOM 986 CB CYS A 74 11.923 15.970 1.054 1.00 1.13 C ATOM 987 SG CYS A 74 11.903 16.262 2.847 1.00 1.32 S ATOM 0 H CYS A 74 14.564 16.815 1.673 1.00 0.98 H new ATOM 0 HA CYS A 74 13.361 14.598 0.186 1.00 0.99 H new ATOM 0 HB2 CYS A 74 11.525 16.853 0.553 1.00 1.13 H new ATOM 0 HB3 CYS A 74 11.248 15.145 0.829 1.00 1.13 H new ATOM 992 N SER A 75 12.641 16.159 -1.766 1.00 1.14 N ATOM 993 CA SER A 75 12.588 16.827 -3.056 1.00 1.36 C ATOM 994 C SER A 75 11.126 17.183 -3.313 1.00 1.28 C ATOM 995 O SER A 75 10.276 16.884 -2.474 1.00 1.10 O ATOM 996 CB SER A 75 13.132 15.890 -4.142 1.00 1.46 C ATOM 997 OG SER A 75 14.548 15.858 -4.125 1.00 1.99 O ATOM 0 H SER A 75 11.957 15.408 -1.673 1.00 1.14 H new ATOM 0 HA SER A 75 13.199 17.730 -3.068 1.00 1.36 H new ATOM 0 HB2 SER A 75 12.741 14.884 -3.989 1.00 1.46 H new ATOM 0 HB3 SER A 75 12.784 16.222 -5.120 1.00 1.46 H new ATOM 0 HG SER A 75 14.859 14.978 -4.423 1.00 1.99 H new ATOM 1003 N PRO A 76 10.776 17.821 -4.438 1.00 1.46 N ATOM 1004 CA PRO A 76 9.384 18.174 -4.700 1.00 1.42 C ATOM 1005 C PRO A 76 8.552 16.967 -5.130 1.00 1.18 C ATOM 1006 O PRO A 76 7.593 17.099 -5.890 1.00 1.22 O ATOM 1007 CB PRO A 76 9.479 19.198 -5.824 1.00 1.74 C ATOM 1008 CG PRO A 76 10.745 18.875 -6.533 1.00 1.86 C ATOM 1009 CD PRO A 76 11.677 18.269 -5.516 1.00 1.77 C ATOM 0 HA PRO A 76 8.884 18.555 -3.810 1.00 1.42 H new ATOM 0 HB2 PRO A 76 8.622 19.129 -6.494 1.00 1.74 H new ATOM 0 HB3 PRO A 76 9.495 20.215 -5.431 1.00 1.74 H new ATOM 0 HG2 PRO A 76 10.562 18.179 -7.351 1.00 1.86 H new ATOM 0 HG3 PRO A 76 11.182 19.773 -6.970 1.00 1.86 H new ATOM 0 HD2 PRO A 76 12.242 17.437 -5.937 1.00 1.77 H new ATOM 0 HD3 PRO A 76 12.403 18.997 -5.154 1.00 1.77 H new ATOM 1017 N ASP A 77 8.928 15.792 -4.625 1.00 0.99 N ATOM 1018 CA ASP A 77 8.226 14.552 -4.925 1.00 0.91 C ATOM 1019 C ASP A 77 8.088 13.710 -3.654 1.00 0.82 C ATOM 1020 O ASP A 77 6.977 13.362 -3.250 1.00 0.90 O ATOM 1021 CB ASP A 77 8.967 13.769 -6.012 1.00 1.16 C ATOM 1022 CG ASP A 77 8.499 14.143 -7.405 1.00 1.92 C ATOM 1023 OD1 ASP A 77 7.342 13.821 -7.749 1.00 2.50 O ATOM 1024 OD2 ASP A 77 9.288 14.758 -8.152 1.00 2.65 O ATOM 0 H ASP A 77 9.725 15.677 -3.999 1.00 0.99 H new ATOM 0 HA ASP A 77 7.229 14.791 -5.296 1.00 0.91 H new ATOM 0 HB2 ASP A 77 10.037 13.957 -5.927 1.00 1.16 H new ATOM 0 HB3 ASP A 77 8.817 12.701 -5.854 1.00 1.16 H new ATOM 1029 N GLY A 78 9.221 13.394 -3.025 1.00 0.88 N ATOM 1030 CA GLY A 78 9.192 12.610 -1.807 1.00 0.87 C ATOM 1031 C GLY A 78 10.180 13.104 -0.764 1.00 0.86 C ATOM 1032 O GLY A 78 10.885 14.088 -0.978 1.00 0.99 O ATOM 0 H GLY A 78 10.152 13.667 -3.339 1.00 0.88 H new ATOM 0 HA2 GLY A 78 8.186 12.635 -1.388 1.00 0.87 H new ATOM 0 HA3 GLY A 78 9.412 11.569 -2.045 1.00 0.87 H new ATOM 1036 N CYS A 79 10.232 12.404 0.366 1.00 0.79 N ATOM 1037 CA CYS A 79 11.137 12.758 1.457 1.00 0.80 C ATOM 1038 C CYS A 79 11.690 11.496 2.111 1.00 0.78 C ATOM 1039 O CYS A 79 11.124 10.414 1.952 1.00 0.89 O ATOM 1040 CB CYS A 79 10.419 13.620 2.492 1.00 0.94 C ATOM 1041 SG CYS A 79 11.548 14.435 3.662 1.00 1.34 S ATOM 0 H CYS A 79 9.655 11.584 0.551 1.00 0.79 H new ATOM 0 HA CYS A 79 11.966 13.334 1.046 1.00 0.80 H new ATOM 0 HB2 CYS A 79 9.831 14.380 1.977 1.00 0.94 H new ATOM 0 HB3 CYS A 79 9.718 12.998 3.049 1.00 0.94 H new ATOM 1046 N HIS A 80 12.805 11.611 2.840 1.00 0.71 N ATOM 1047 CA HIS A 80 13.395 10.429 3.463 1.00 0.76 C ATOM 1048 C HIS A 80 14.122 10.764 4.756 1.00 0.70 C ATOM 1049 O HIS A 80 14.901 11.716 4.811 1.00 0.67 O ATOM 1050 CB HIS A 80 14.382 9.793 2.478 1.00 0.87 C ATOM 1051 CG HIS A 80 14.278 8.305 2.382 1.00 0.99 C ATOM 1052 ND1 HIS A 80 13.287 7.516 1.907 1.00 1.64 N flip ATOM 1053 CD2 HIS A 80 15.277 7.453 2.800 1.00 1.76 C flip ATOM 1054 CE1 HIS A 80 13.700 6.213 2.047 1.00 2.09 C flip ATOM 1055 NE2 HIS A 80 14.905 6.203 2.586 1.00 2.17 N flip ATOM 0 H HIS A 80 13.303 12.485 3.008 1.00 0.71 H new ATOM 0 HA HIS A 80 12.588 9.739 3.709 1.00 0.76 H new ATOM 0 HB2 HIS A 80 14.219 10.222 1.489 1.00 0.87 H new ATOM 0 HB3 HIS A 80 15.397 10.057 2.776 1.00 0.87 H new ATOM 0 HD2 HIS A 80 16.217 7.759 3.235 1.00 1.76 H new ATOM 0 HE1 HIS A 80 13.132 5.340 1.763 1.00 2.09 H new ATOM 0 HE2 HIS A 80 15.456 5.372 2.801 1.00 2.17 H new ATOM 1064 N GLU A 81 13.891 9.958 5.791 1.00 0.75 N ATOM 1065 CA GLU A 81 14.571 10.165 7.057 1.00 0.77 C ATOM 1066 C GLU A 81 16.051 9.960 6.841 1.00 0.72 C ATOM 1067 O GLU A 81 16.482 8.886 6.421 1.00 0.92 O ATOM 1068 CB GLU A 81 14.065 9.186 8.116 1.00 0.94 C ATOM 1069 CG GLU A 81 13.336 9.854 9.267 1.00 1.70 C ATOM 1070 CD GLU A 81 14.233 10.055 10.473 1.00 2.35 C ATOM 1071 OE1 GLU A 81 14.697 9.045 11.042 1.00 2.71 O ATOM 1072 OE2 GLU A 81 14.476 11.222 10.847 1.00 3.05 O ATOM 0 H GLU A 81 13.246 9.168 5.774 1.00 0.75 H new ATOM 0 HA GLU A 81 14.372 11.176 7.412 1.00 0.77 H new ATOM 0 HB2 GLU A 81 13.396 8.467 7.643 1.00 0.94 H new ATOM 0 HB3 GLU A 81 14.911 8.623 8.511 1.00 0.94 H new ATOM 0 HG2 GLU A 81 12.949 10.819 8.939 1.00 1.70 H new ATOM 0 HG3 GLU A 81 12.477 9.247 9.552 1.00 1.70 H new ATOM 1079 N ASP A 82 16.830 10.990 7.097 1.00 0.76 N ATOM 1080 CA ASP A 82 18.258 10.897 6.900 1.00 0.77 C ATOM 1081 C ASP A 82 19.003 11.890 7.803 1.00 0.96 C ATOM 1082 O ASP A 82 18.564 13.028 7.967 1.00 1.21 O ATOM 1083 CB ASP A 82 18.560 11.129 5.409 1.00 0.86 C ATOM 1084 CG ASP A 82 20.011 11.478 5.131 1.00 1.34 C ATOM 1085 OD1 ASP A 82 20.501 12.482 5.682 1.00 1.82 O ATOM 1086 OD2 ASP A 82 20.660 10.739 4.361 1.00 2.02 O ATOM 0 H ASP A 82 16.501 11.893 7.439 1.00 0.76 H new ATOM 0 HA ASP A 82 18.611 9.905 7.181 1.00 0.77 H new ATOM 0 HB2 ASP A 82 18.297 10.231 4.849 1.00 0.86 H new ATOM 0 HB3 ASP A 82 17.924 11.933 5.039 1.00 0.86 H new ATOM 1091 N PRO A 83 20.142 11.479 8.404 1.00 1.15 N ATOM 1092 CA PRO A 83 20.938 12.345 9.294 1.00 1.42 C ATOM 1093 C PRO A 83 21.647 13.470 8.553 1.00 1.28 C ATOM 1094 O PRO A 83 22.802 13.790 8.835 1.00 1.40 O ATOM 1095 CB PRO A 83 21.976 11.401 9.902 1.00 1.81 C ATOM 1096 CG PRO A 83 21.533 10.019 9.547 1.00 1.93 C ATOM 1097 CD PRO A 83 20.744 10.146 8.277 1.00 1.42 C ATOM 0 HA PRO A 83 20.298 12.837 10.026 1.00 1.42 H new ATOM 0 HB2 PRO A 83 22.970 11.606 9.505 1.00 1.81 H new ATOM 0 HB3 PRO A 83 22.032 11.527 10.983 1.00 1.81 H new ATOM 0 HG2 PRO A 83 22.389 9.359 9.409 1.00 1.93 H new ATOM 0 HG3 PRO A 83 20.924 9.589 10.342 1.00 1.93 H new ATOM 0 HD2 PRO A 83 21.381 10.071 7.395 1.00 1.42 H new ATOM 0 HD3 PRO A 83 19.987 9.366 8.191 1.00 1.42 H new ATOM 1105 N ALA A 84 20.939 14.069 7.624 1.00 1.13 N ATOM 1106 CA ALA A 84 21.450 15.176 6.849 1.00 1.17 C ATOM 1107 C ALA A 84 21.458 16.416 7.697 1.00 1.20 C ATOM 1108 O ALA A 84 22.484 17.056 7.930 1.00 1.53 O ATOM 1109 CB ALA A 84 20.546 15.415 5.664 1.00 1.21 C ATOM 0 H ALA A 84 19.985 13.800 7.383 1.00 1.13 H new ATOM 0 HA ALA A 84 22.460 14.944 6.512 1.00 1.17 H new ATOM 0 HB1 ALA A 84 20.929 16.250 5.077 1.00 1.21 H new ATOM 0 HB2 ALA A 84 20.515 14.519 5.044 1.00 1.21 H new ATOM 0 HB3 ALA A 84 19.541 15.649 6.015 1.00 1.21 H new ATOM 1115 N CYS A 85 20.261 16.728 8.144 1.00 1.02 N ATOM 1116 CA CYS A 85 20.006 17.875 8.967 1.00 1.19 C ATOM 1117 C CYS A 85 19.762 17.417 10.398 1.00 1.46 C ATOM 1118 O CYS A 85 18.623 17.261 10.821 1.00 1.88 O ATOM 1119 CB CYS A 85 18.805 18.627 8.372 1.00 1.15 C ATOM 1120 SG CYS A 85 19.196 19.595 6.882 1.00 1.42 S ATOM 0 H CYS A 85 19.427 16.178 7.938 1.00 1.02 H new ATOM 0 HA CYS A 85 20.857 18.556 8.990 1.00 1.19 H new ATOM 0 HB2 CYS A 85 18.024 17.907 8.129 1.00 1.15 H new ATOM 0 HB3 CYS A 85 18.398 19.296 9.130 1.00 1.15 H new ATOM 1125 N ASP A 86 20.849 17.157 11.121 1.00 1.53 N ATOM 1126 CA ASP A 86 20.765 16.671 12.488 1.00 1.90 C ATOM 1127 C ASP A 86 20.930 17.794 13.502 1.00 1.82 C ATOM 1128 O ASP A 86 22.034 18.071 13.966 1.00 2.29 O ATOM 1129 CB ASP A 86 21.823 15.596 12.745 1.00 2.43 C ATOM 1130 CG ASP A 86 22.349 14.964 11.470 1.00 3.07 C ATOM 1131 OD1 ASP A 86 22.907 15.699 10.628 1.00 3.60 O ATOM 1132 OD2 ASP A 86 22.202 13.735 11.314 1.00 3.47 O ATOM 0 H ASP A 86 21.802 17.277 10.777 1.00 1.53 H new ATOM 0 HA ASP A 86 19.770 16.242 12.611 1.00 1.90 H new ATOM 0 HB2 ASP A 86 22.654 16.037 13.295 1.00 2.43 H new ATOM 0 HB3 ASP A 86 21.397 14.819 13.380 1.00 2.43 H new ATOM 1137 N PRO A 87 19.820 18.435 13.878 1.00 1.72 N ATOM 1138 CA PRO A 87 19.818 19.506 14.863 1.00 2.05 C ATOM 1139 C PRO A 87 20.193 18.922 16.200 1.00 2.20 C ATOM 1140 O PRO A 87 19.368 18.746 17.097 1.00 2.35 O ATOM 1141 CB PRO A 87 18.377 20.027 14.840 1.00 2.46 C ATOM 1142 CG PRO A 87 17.799 19.459 13.589 1.00 2.56 C ATOM 1143 CD PRO A 87 18.482 18.144 13.392 1.00 1.96 C ATOM 0 HA PRO A 87 20.526 20.310 14.662 1.00 2.05 H new ATOM 0 HB2 PRO A 87 17.822 19.700 15.719 1.00 2.46 H new ATOM 0 HB3 PRO A 87 18.348 21.117 14.832 1.00 2.46 H new ATOM 0 HG2 PRO A 87 16.720 19.331 13.678 1.00 2.56 H new ATOM 0 HG3 PRO A 87 17.972 20.122 12.741 1.00 2.56 H new ATOM 0 HD2 PRO A 87 18.005 17.345 13.959 1.00 1.96 H new ATOM 0 HD3 PRO A 87 18.484 17.836 12.347 1.00 1.96 H new ATOM 1151 N GLU A 88 21.481 18.686 16.317 1.00 2.56 N ATOM 1152 CA GLU A 88 22.072 18.175 17.510 1.00 3.21 C ATOM 1153 C GLU A 88 23.573 18.221 17.416 1.00 3.51 C ATOM 1154 O GLU A 88 24.239 18.138 18.440 1.00 4.11 O ATOM 1155 CB GLU A 88 21.478 16.850 17.913 1.00 3.64 C ATOM 1156 CG GLU A 88 21.825 15.694 17.015 1.00 3.54 C ATOM 1157 CD GLU A 88 21.434 14.374 17.644 1.00 4.21 C ATOM 1158 OE1 GLU A 88 22.162 13.911 18.547 1.00 4.58 O ATOM 1159 OE2 GLU A 88 20.395 13.810 17.244 1.00 4.72 O ATOM 0 H GLU A 88 22.150 18.851 15.565 1.00 2.56 H new ATOM 0 HA GLU A 88 21.821 18.826 18.348 1.00 3.21 H new ATOM 0 HB2 GLU A 88 21.807 16.615 18.925 1.00 3.64 H new ATOM 0 HB3 GLU A 88 20.393 16.951 17.946 1.00 3.64 H new ATOM 0 HG2 GLU A 88 21.316 15.808 16.058 1.00 3.54 H new ATOM 0 HG3 GLU A 88 22.895 15.699 16.809 1.00 3.54 H new ATOM 1166 N ALA A 89 24.173 18.094 16.254 1.00 3.29 N ATOM 1167 CA ALA A 89 25.624 18.020 16.113 1.00 3.88 C ATOM 1168 C ALA A 89 26.401 19.309 16.449 1.00 4.78 C ATOM 1169 O ALA A 89 26.923 19.968 15.540 1.00 5.29 O ATOM 1170 CB ALA A 89 25.868 17.666 14.629 1.00 3.48 C ATOM 0 H ALA A 89 23.670 18.038 15.368 1.00 3.29 H new ATOM 0 HA ALA A 89 25.994 17.289 16.832 1.00 3.88 H new ATOM 0 HB1 ALA A 89 26.940 17.592 14.444 1.00 3.48 H new ATOM 0 HB2 ALA A 89 25.394 16.712 14.400 1.00 3.48 H new ATOM 0 HB3 ALA A 89 25.443 18.444 13.995 1.00 3.48 H new ATOM 1176 N ALA A 90 26.497 19.709 17.718 1.00 5.12 N ATOM 1177 CA ALA A 90 27.227 20.950 18.033 1.00 6.15 C ATOM 1178 C ALA A 90 28.716 20.750 17.852 1.00 6.94 C ATOM 1179 O ALA A 90 29.146 19.636 17.540 1.00 6.98 O ATOM 1180 CB ALA A 90 26.930 21.384 19.463 1.00 6.47 C ATOM 0 H ALA A 90 26.098 19.219 18.519 1.00 5.12 H new ATOM 0 HA ALA A 90 26.895 21.730 17.348 1.00 6.15 H new ATOM 0 HB1 ALA A 90 27.474 22.302 19.685 1.00 6.47 H new ATOM 0 HB2 ALA A 90 25.860 21.561 19.575 1.00 6.47 H new ATOM 0 HB3 ALA A 90 27.243 20.601 20.153 1.00 6.47 H new ATOM 1186 N PHE A 91 29.528 21.773 18.090 1.00 7.67 N ATOM 1187 CA PHE A 91 30.982 21.609 17.976 1.00 8.56 C ATOM 1188 C PHE A 91 31.578 21.176 19.319 1.00 9.41 C ATOM 1189 O PHE A 91 32.380 21.898 19.914 1.00 9.96 O ATOM 1190 CB PHE A 91 31.643 22.910 17.518 1.00 9.02 C ATOM 1191 CG PHE A 91 31.229 23.337 16.143 1.00 9.29 C ATOM 1192 CD1 PHE A 91 31.586 22.589 15.031 1.00 9.65 C ATOM 1193 CD2 PHE A 91 30.475 24.484 15.962 1.00 9.45 C ATOM 1194 CE1 PHE A 91 31.198 22.980 13.765 1.00 10.10 C ATOM 1195 CE2 PHE A 91 30.084 24.879 14.697 1.00 9.92 C ATOM 1196 CZ PHE A 91 30.446 24.126 13.597 1.00 10.21 C ATOM 0 H PHE A 91 29.219 22.708 18.358 1.00 7.67 H new ATOM 0 HA PHE A 91 31.175 20.836 17.232 1.00 8.56 H new ATOM 0 HB2 PHE A 91 31.397 23.702 18.225 1.00 9.02 H new ATOM 0 HB3 PHE A 91 32.726 22.786 17.541 1.00 9.02 H new ATOM 0 HD1 PHE A 91 32.173 21.692 15.157 1.00 9.65 H new ATOM 0 HD2 PHE A 91 30.189 25.076 16.819 1.00 9.45 H new ATOM 0 HE1 PHE A 91 31.482 22.390 12.906 1.00 10.10 H new ATOM 0 HE2 PHE A 91 29.496 25.776 14.568 1.00 9.92 H new ATOM 0 HZ PHE A 91 30.141 24.433 12.607 1.00 10.21 H new ATOM 1206 N SER A 92 31.185 19.994 19.792 1.00 9.61 N ATOM 1207 CA SER A 92 31.682 19.475 21.063 1.00 10.49 C ATOM 1208 C SER A 92 32.939 18.633 20.863 1.00 11.25 C ATOM 1209 O SER A 92 33.961 18.932 21.517 1.00 11.48 O ATOM 1210 CB SER A 92 30.600 18.647 21.760 1.00 10.50 C ATOM 1211 OG SER A 92 30.027 17.704 20.873 1.00 10.56 O ATOM 1212 OXT SER A 92 32.890 17.679 20.060 1.00 11.77 O ATOM 0 H SER A 92 30.525 19.380 19.315 1.00 9.61 H new ATOM 0 HA SER A 92 31.940 20.326 21.693 1.00 10.49 H new ATOM 0 HB2 SER A 92 31.030 18.129 22.617 1.00 10.50 H new ATOM 0 HB3 SER A 92 29.823 19.308 22.144 1.00 10.50 H new ATOM 0 HG SER A 92 30.705 17.405 20.231 1.00 10.56 H new TER 1218 SER A 92 ATOM 1219 N ALA B 101 -3.280 -0.632 21.411 1.00 10.07 N ATOM 1220 CA ALA B 101 -4.722 -0.994 21.477 1.00 9.47 C ATOM 1221 C ALA B 101 -5.371 -0.937 20.094 1.00 8.40 C ATOM 1222 O ALA B 101 -4.873 -0.263 19.199 1.00 8.14 O ATOM 1223 CB ALA B 101 -5.447 -0.065 22.441 1.00 9.68 C ATOM 0 HA ALA B 101 -4.800 -2.019 21.840 1.00 9.47 H new ATOM 0 HB1 ALA B 101 -6.502 -0.336 22.484 1.00 9.68 H new ATOM 0 HB2 ALA B 101 -5.008 -0.157 23.434 1.00 9.68 H new ATOM 0 HB3 ALA B 101 -5.351 0.964 22.096 1.00 9.68 H new ATOM 1231 N VAL B 102 -6.505 -1.623 19.941 1.00 8.03 N ATOM 1232 CA VAL B 102 -7.249 -1.632 18.680 1.00 7.24 C ATOM 1233 C VAL B 102 -6.347 -1.792 17.424 1.00 6.03 C ATOM 1234 O VAL B 102 -6.480 -1.096 16.420 1.00 5.94 O ATOM 1235 CB VAL B 102 -8.184 -0.410 18.566 1.00 7.66 C ATOM 1236 CG1 VAL B 102 -7.415 0.874 18.312 1.00 7.91 C ATOM 1237 CG2 VAL B 102 -9.233 -0.648 17.493 1.00 8.41 C ATOM 0 H VAL B 102 -6.930 -2.183 20.680 1.00 8.03 H new ATOM 0 HA VAL B 102 -7.870 -2.527 18.706 1.00 7.24 H new ATOM 0 HB VAL B 102 -8.690 -0.287 19.524 1.00 7.66 H new ATOM 0 HG11 VAL B 102 -8.113 1.708 18.239 1.00 7.91 H new ATOM 0 HG12 VAL B 102 -6.722 1.052 19.134 1.00 7.91 H new ATOM 0 HG13 VAL B 102 -6.857 0.785 17.380 1.00 7.91 H new ATOM 0 HG21 VAL B 102 -9.886 0.222 17.423 1.00 8.41 H new ATOM 0 HG22 VAL B 102 -8.742 -0.811 16.534 1.00 8.41 H new ATOM 0 HG23 VAL B 102 -9.825 -1.526 17.751 1.00 8.41 H new ATOM 1247 N LEU B 103 -5.468 -2.786 17.545 1.00 5.40 N ATOM 1248 CA LEU B 103 -4.529 -3.166 16.461 1.00 4.42 C ATOM 1249 C LEU B 103 -5.325 -3.809 15.320 1.00 4.14 C ATOM 1250 O LEU B 103 -5.588 -5.012 15.306 1.00 4.51 O ATOM 1251 CB LEU B 103 -3.396 -4.112 16.917 1.00 4.44 C ATOM 1252 CG LEU B 103 -3.615 -4.924 18.195 1.00 5.04 C ATOM 1253 CD1 LEU B 103 -3.561 -4.030 19.425 1.00 5.09 C ATOM 1254 CD2 LEU B 103 -4.919 -5.704 18.130 1.00 5.87 C ATOM 0 H LEU B 103 -5.377 -3.355 18.387 1.00 5.40 H new ATOM 0 HA LEU B 103 -4.036 -2.252 16.130 1.00 4.42 H new ATOM 0 HB2 LEU B 103 -3.197 -4.812 16.105 1.00 4.44 H new ATOM 0 HB3 LEU B 103 -2.494 -3.514 17.050 1.00 4.44 H new ATOM 0 HG LEU B 103 -2.804 -5.647 18.278 1.00 5.04 H new ATOM 0 HD11 LEU B 103 -3.720 -4.632 20.320 1.00 5.09 H new ATOM 0 HD12 LEU B 103 -2.586 -3.547 19.481 1.00 5.09 H new ATOM 0 HD13 LEU B 103 -4.339 -3.270 19.357 1.00 5.09 H new ATOM 0 HD21 LEU B 103 -5.049 -6.272 19.051 1.00 5.87 H new ATOM 0 HD22 LEU B 103 -5.752 -5.011 18.010 1.00 5.87 H new ATOM 0 HD23 LEU B 103 -4.892 -6.389 17.282 1.00 5.87 H new ATOM 1266 N ASP B 104 -5.665 -2.956 14.348 1.00 4.04 N ATOM 1267 CA ASP B 104 -6.384 -3.323 13.151 1.00 4.36 C ATOM 1268 C ASP B 104 -5.450 -3.367 11.930 1.00 4.07 C ATOM 1269 O ASP B 104 -5.706 -2.771 10.882 1.00 4.12 O ATOM 1270 CB ASP B 104 -7.574 -2.396 12.912 1.00 5.06 C ATOM 1271 CG ASP B 104 -8.669 -2.616 13.937 1.00 5.80 C ATOM 1272 OD1 ASP B 104 -8.477 -2.217 15.103 1.00 6.19 O ATOM 1273 OD2 ASP B 104 -9.714 -3.199 13.577 1.00 6.27 O ATOM 0 H ASP B 104 -5.434 -1.963 14.386 1.00 4.04 H new ATOM 0 HA ASP B 104 -6.778 -4.329 13.298 1.00 4.36 H new ATOM 0 HB2 ASP B 104 -7.241 -1.359 12.951 1.00 5.06 H new ATOM 0 HB3 ASP B 104 -7.972 -2.565 11.912 1.00 5.06 H new ATOM 1278 N LEU B 105 -4.470 -4.230 12.085 1.00 4.35 N ATOM 1279 CA LEU B 105 -3.535 -4.629 11.151 1.00 4.75 C ATOM 1280 C LEU B 105 -3.257 -6.093 11.586 1.00 5.41 C ATOM 1281 O LEU B 105 -3.862 -7.055 11.115 1.00 6.19 O ATOM 1282 CB LEU B 105 -2.323 -3.671 11.181 1.00 5.45 C ATOM 1283 CG LEU B 105 -1.126 -4.013 10.287 1.00 6.23 C ATOM 1284 CD1 LEU B 105 -0.199 -4.996 10.972 1.00 5.95 C ATOM 1285 CD2 LEU B 105 -1.569 -4.529 8.923 1.00 7.20 C ATOM 0 H LEU B 105 -4.326 -4.699 12.979 1.00 4.35 H new ATOM 0 HA LEU B 105 -3.841 -4.593 10.106 1.00 4.75 H new ATOM 0 HB2 LEU B 105 -2.674 -2.676 10.906 1.00 5.45 H new ATOM 0 HB3 LEU B 105 -1.968 -3.611 12.210 1.00 5.45 H new ATOM 0 HG LEU B 105 -0.571 -3.090 10.117 1.00 6.23 H new ATOM 0 HD11 LEU B 105 0.642 -5.221 10.316 1.00 5.95 H new ATOM 0 HD12 LEU B 105 0.172 -4.561 11.900 1.00 5.95 H new ATOM 0 HD13 LEU B 105 -0.742 -5.914 11.194 1.00 5.95 H new ATOM 0 HD21 LEU B 105 -0.692 -4.760 8.319 1.00 7.20 H new ATOM 0 HD22 LEU B 105 -2.168 -5.430 9.052 1.00 7.20 H new ATOM 0 HD23 LEU B 105 -2.164 -3.766 8.421 1.00 7.20 H new ATOM 1297 N ASP B 106 -2.337 -6.163 12.469 1.00 5.41 N ATOM 1298 CA ASP B 106 -1.856 -7.398 13.054 1.00 6.32 C ATOM 1299 C ASP B 106 -0.986 -7.036 14.255 1.00 6.19 C ATOM 1300 O ASP B 106 -1.057 -7.623 15.335 1.00 6.37 O ATOM 1301 CB ASP B 106 -1.045 -8.115 11.981 1.00 7.13 C ATOM 1302 CG ASP B 106 -1.309 -9.602 11.905 1.00 8.06 C ATOM 1303 OD1 ASP B 106 -0.692 -10.355 12.684 1.00 8.55 O ATOM 1304 OD2 ASP B 106 -2.127 -10.014 11.054 1.00 8.48 O ATOM 0 H ASP B 106 -1.864 -5.337 12.834 1.00 5.41 H new ATOM 0 HA ASP B 106 -2.664 -8.048 13.391 1.00 6.32 H new ATOM 0 HB2 ASP B 106 -1.266 -7.667 11.012 1.00 7.13 H new ATOM 0 HB3 ASP B 106 0.016 -7.954 12.173 1.00 7.13 H new ATOM 1309 N VAL B 107 -0.100 -6.107 13.953 1.00 6.17 N ATOM 1310 CA VAL B 107 0.942 -5.599 14.808 1.00 6.24 C ATOM 1311 C VAL B 107 0.343 -4.533 15.651 1.00 5.49 C ATOM 1312 O VAL B 107 -0.845 -4.241 15.501 1.00 5.67 O ATOM 1313 CB VAL B 107 2.137 -5.048 13.984 1.00 7.18 C ATOM 1314 CG1 VAL B 107 1.836 -3.676 13.392 1.00 7.33 C ATOM 1315 CG2 VAL B 107 3.402 -5.002 14.830 1.00 7.48 C ATOM 0 H VAL B 107 -0.094 -5.659 13.037 1.00 6.17 H new ATOM 0 HA VAL B 107 1.340 -6.402 15.429 1.00 6.24 H new ATOM 0 HB VAL B 107 2.299 -5.734 13.152 1.00 7.18 H new ATOM 0 HG11 VAL B 107 2.698 -3.328 12.824 1.00 7.33 H new ATOM 0 HG12 VAL B 107 0.971 -3.746 12.733 1.00 7.33 H new ATOM 0 HG13 VAL B 107 1.623 -2.972 14.196 1.00 7.33 H new ATOM 0 HG21 VAL B 107 4.226 -4.613 14.232 1.00 7.48 H new ATOM 0 HG22 VAL B 107 3.241 -4.353 15.691 1.00 7.48 H new ATOM 0 HG23 VAL B 107 3.647 -6.007 15.174 1.00 7.48 H new ATOM 1325 N ARG B 108 1.070 -3.994 16.588 1.00 5.08 N ATOM 1326 CA ARG B 108 0.451 -3.049 17.445 1.00 4.80 C ATOM 1327 C ARG B 108 0.220 -1.827 16.652 1.00 4.49 C ATOM 1328 O ARG B 108 1.158 -1.211 16.148 1.00 4.98 O ATOM 1329 CB ARG B 108 1.291 -2.760 18.695 1.00 5.26 C ATOM 1330 CG ARG B 108 2.791 -2.889 18.489 1.00 6.18 C ATOM 1331 CD ARG B 108 3.559 -2.395 19.704 1.00 6.96 C ATOM 1332 NE ARG B 108 3.195 -3.126 20.915 1.00 7.64 N ATOM 1333 CZ ARG B 108 3.694 -4.317 21.241 1.00 8.36 C ATOM 1334 NH1 ARG B 108 4.553 -4.928 20.435 1.00 8.54 N ATOM 1335 NH2 ARG B 108 3.328 -4.902 22.374 1.00 9.12 N ATOM 0 H ARG B 108 2.055 -4.188 16.768 1.00 5.08 H new ATOM 0 HA ARG B 108 -0.492 -3.448 17.818 1.00 4.80 H new ATOM 0 HB2 ARG B 108 1.070 -1.750 19.041 1.00 5.26 H new ATOM 0 HB3 ARG B 108 0.986 -3.442 19.488 1.00 5.26 H new ATOM 0 HG2 ARG B 108 3.045 -3.931 18.294 1.00 6.18 H new ATOM 0 HG3 ARG B 108 3.090 -2.318 17.610 1.00 6.18 H new ATOM 0 HD2 ARG B 108 4.629 -2.501 19.524 1.00 6.96 H new ATOM 0 HD3 ARG B 108 3.364 -1.333 19.849 1.00 6.96 H new ATOM 0 HE ARG B 108 2.519 -2.699 21.548 1.00 7.64 H new ATOM 0 HH11 ARG B 108 4.835 -4.486 19.560 1.00 8.54 H new ATOM 0 HH12 ARG B 108 4.932 -5.840 20.690 1.00 8.54 H new ATOM 0 HH21 ARG B 108 2.664 -4.440 22.995 1.00 9.12 H new ATOM 0 HH22 ARG B 108 3.710 -5.814 22.624 1.00 9.12 H new ATOM 1349 N THR B 109 -1.037 -1.530 16.451 1.00 4.05 N ATOM 1350 CA THR B 109 -1.355 -0.402 15.641 1.00 4.08 C ATOM 1351 C THR B 109 -0.524 0.782 16.065 1.00 3.18 C ATOM 1352 O THR B 109 -0.685 1.361 17.142 1.00 3.48 O ATOM 1353 CB THR B 109 -2.832 -0.046 15.754 1.00 4.98 C ATOM 1354 OG1 THR B 109 -3.081 1.221 15.172 1.00 5.58 O ATOM 1355 CG2 THR B 109 -3.321 0.006 17.183 1.00 5.69 C ATOM 0 H THR B 109 -1.833 -2.043 16.829 1.00 4.05 H new ATOM 0 HA THR B 109 -1.136 -0.657 14.604 1.00 4.08 H new ATOM 0 HB THR B 109 -3.367 -0.838 15.230 1.00 4.98 H new ATOM 0 HG1 THR B 109 -4.046 1.388 15.153 1.00 5.58 H new ATOM 0 HG21 THR B 109 -4.380 0.264 17.196 1.00 5.69 H new ATOM 0 HG22 THR B 109 -3.179 -0.968 17.652 1.00 5.69 H new ATOM 0 HG23 THR B 109 -2.757 0.759 17.733 1.00 5.69 H new ATOM 1363 N CYS B 110 0.355 1.112 15.162 1.00 2.52 N ATOM 1364 CA CYS B 110 1.289 2.223 15.295 1.00 1.89 C ATOM 1365 C CYS B 110 0.746 3.404 16.130 1.00 1.69 C ATOM 1366 O CYS B 110 -0.156 4.117 15.696 1.00 1.94 O ATOM 1367 CB CYS B 110 1.651 2.739 13.906 1.00 2.23 C ATOM 1368 SG CYS B 110 0.199 3.131 12.875 1.00 2.61 S ATOM 0 H CYS B 110 0.454 0.607 14.281 1.00 2.52 H new ATOM 0 HA CYS B 110 2.157 1.832 15.825 1.00 1.89 H new ATOM 0 HB2 CYS B 110 2.266 3.633 14.008 1.00 2.23 H new ATOM 0 HB3 CYS B 110 2.258 1.991 13.396 1.00 2.23 H new ATOM 1373 N LEU B 111 1.331 3.600 17.322 1.00 1.46 N ATOM 1374 CA LEU B 111 0.964 4.698 18.245 1.00 1.37 C ATOM 1375 C LEU B 111 0.457 5.957 17.522 1.00 1.20 C ATOM 1376 O LEU B 111 0.784 6.197 16.359 1.00 1.18 O ATOM 1377 CB LEU B 111 2.153 5.067 19.131 1.00 1.54 C ATOM 1378 CG LEU B 111 2.365 4.162 20.345 1.00 1.90 C ATOM 1379 CD1 LEU B 111 3.666 4.513 21.049 1.00 2.47 C ATOM 1380 CD2 LEU B 111 1.190 4.274 21.306 1.00 2.26 C ATOM 0 H LEU B 111 2.076 3.001 17.679 1.00 1.46 H new ATOM 0 HA LEU B 111 0.141 4.321 18.852 1.00 1.37 H new ATOM 0 HB2 LEU B 111 3.058 5.051 18.523 1.00 1.54 H new ATOM 0 HB3 LEU B 111 2.022 6.091 19.480 1.00 1.54 H new ATOM 0 HG LEU B 111 2.428 3.130 19.999 1.00 1.90 H new ATOM 0 HD11 LEU B 111 3.801 3.859 21.911 1.00 2.47 H new ATOM 0 HD12 LEU B 111 4.500 4.382 20.359 1.00 2.47 H new ATOM 0 HD13 LEU B 111 3.631 5.550 21.382 1.00 2.47 H new ATOM 0 HD21 LEU B 111 1.358 3.623 22.164 1.00 2.26 H new ATOM 0 HD22 LEU B 111 1.095 5.305 21.646 1.00 2.26 H new ATOM 0 HD23 LEU B 111 0.274 3.974 20.797 1.00 2.26 H new ATOM 1392 N PRO B 112 -0.373 6.772 18.211 1.00 1.19 N ATOM 1393 CA PRO B 112 -0.955 7.997 17.648 1.00 1.12 C ATOM 1394 C PRO B 112 -0.072 9.243 17.832 1.00 1.03 C ATOM 1395 O PRO B 112 0.236 9.633 18.959 1.00 1.06 O ATOM 1396 CB PRO B 112 -2.234 8.128 18.460 1.00 1.30 C ATOM 1397 CG PRO B 112 -1.860 7.631 19.814 1.00 1.47 C ATOM 1398 CD PRO B 112 -0.823 6.555 19.601 1.00 1.37 C ATOM 0 HA PRO B 112 -1.090 7.932 16.568 1.00 1.12 H new ATOM 0 HB2 PRO B 112 -2.579 9.161 18.496 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -3.042 7.538 18.028 1.00 1.30 H new ATOM 0 HG2 PRO B 112 -1.461 8.439 20.428 1.00 1.47 H new ATOM 0 HG3 PRO B 112 -2.730 7.234 20.336 1.00 1.47 H new ATOM 0 HD2 PRO B 112 0.001 6.648 20.308 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -1.246 5.559 19.734 1.00 1.37 H new ATOM 1406 N CYS B 113 0.284 9.890 16.709 1.00 0.94 N ATOM 1407 CA CYS B 113 1.094 11.097 16.720 1.00 0.90 C ATOM 1408 C CYS B 113 0.246 12.324 16.327 1.00 0.91 C ATOM 1409 O CYS B 113 -0.965 12.350 16.522 1.00 1.00 O ATOM 1410 CB CYS B 113 2.300 10.874 15.802 1.00 0.83 C ATOM 1411 SG CYS B 113 1.844 10.255 14.160 1.00 0.87 S ATOM 0 H CYS B 113 0.013 9.583 15.775 1.00 0.94 H new ATOM 0 HA CYS B 113 1.466 11.307 17.723 1.00 0.90 H new ATOM 0 HB2 CYS B 113 2.843 11.813 15.691 1.00 0.83 H new ATOM 0 HB3 CYS B 113 2.981 10.166 16.274 1.00 0.83 H new ATOM 1416 N GLY B 114 0.909 13.349 15.774 1.00 0.92 N ATOM 1417 CA GLY B 114 0.232 14.558 15.383 1.00 0.99 C ATOM 1418 C GLY B 114 -0.022 15.418 16.573 1.00 1.11 C ATOM 1419 O GLY B 114 0.550 15.166 17.635 1.00 1.16 O ATOM 0 H GLY B 114 1.913 13.349 15.594 1.00 0.92 H new ATOM 0 HA2 GLY B 114 0.835 15.101 14.656 1.00 0.99 H new ATOM 0 HA3 GLY B 114 -0.711 14.313 14.895 1.00 0.99 H new ATOM 1423 N PRO B 115 -0.840 16.461 16.466 1.00 1.19 N ATOM 1424 CA PRO B 115 -1.073 17.316 17.614 1.00 1.33 C ATOM 1425 C PRO B 115 -1.769 16.614 18.762 1.00 1.40 C ATOM 1426 O PRO B 115 -2.992 16.623 18.897 1.00 1.57 O ATOM 1427 CB PRO B 115 -2.021 18.353 17.033 1.00 1.46 C ATOM 1428 CG PRO B 115 -2.726 17.508 16.067 1.00 1.39 C ATOM 1429 CD PRO B 115 -1.608 16.892 15.312 1.00 1.21 C ATOM 0 HA PRO B 115 -0.140 17.691 18.035 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -2.687 18.781 17.782 1.00 1.46 H new ATOM 0 HB3 PRO B 115 -1.497 19.184 16.561 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -3.346 16.759 16.559 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -3.382 18.090 15.420 1.00 1.39 H new ATOM 0 HD2 PRO B 115 -1.923 16.068 14.672 1.00 1.21 H new ATOM 0 HD3 PRO B 115 -1.074 17.601 14.679 1.00 1.21 H new ATOM 1437 N GLY B 116 -0.952 15.994 19.549 1.00 1.35 N ATOM 1438 CA GLY B 116 -1.396 15.267 20.689 1.00 1.48 C ATOM 1439 C GLY B 116 -1.795 13.860 20.423 1.00 1.44 C ATOM 1440 O GLY B 116 -2.463 13.242 21.256 1.00 1.70 O ATOM 0 H GLY B 116 0.059 15.979 19.414 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -0.600 15.268 21.434 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -2.244 15.792 21.128 1.00 1.48 H new ATOM 1444 N GLY B 117 -1.366 13.294 19.324 1.00 1.29 N ATOM 1445 CA GLY B 117 -1.670 11.937 19.075 1.00 1.26 C ATOM 1446 C GLY B 117 -2.982 11.665 18.377 1.00 1.26 C ATOM 1447 O GLY B 117 -3.628 10.647 18.623 1.00 1.38 O ATOM 0 H GLY B 117 -0.812 13.758 18.604 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -0.867 11.511 18.474 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -1.672 11.406 20.027 1.00 1.26 H new ATOM 1451 N LYS B 118 -3.356 12.567 17.476 1.00 1.19 N ATOM 1452 CA LYS B 118 -4.564 12.415 16.681 1.00 1.25 C ATOM 1453 C LYS B 118 -4.265 11.730 15.338 1.00 1.15 C ATOM 1454 O LYS B 118 -5.188 11.342 14.615 1.00 1.25 O ATOM 1455 CB LYS B 118 -5.223 13.770 16.455 1.00 1.30 C ATOM 1456 CG LYS B 118 -5.027 14.725 17.622 1.00 1.36 C ATOM 1457 CD LYS B 118 -6.344 15.087 18.285 1.00 1.78 C ATOM 1458 CE LYS B 118 -6.939 16.358 17.702 1.00 1.95 C ATOM 1459 NZ LYS B 118 -8.426 16.306 17.663 1.00 2.54 N ATOM 0 H LYS B 118 -2.832 13.419 17.279 1.00 1.19 H new ATOM 0 HA LYS B 118 -5.254 11.777 17.234 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -4.814 14.221 15.551 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -6.290 13.626 16.285 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -4.364 14.269 18.357 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -4.536 15.632 17.270 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -7.050 14.266 18.163 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -6.188 15.217 19.356 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -6.621 17.214 18.297 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -6.554 16.510 16.694 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -8.794 17.191 17.259 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -8.730 15.504 17.075 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -8.795 16.187 18.628 1.00 2.54 H new ATOM 1473 N GLY B 119 -2.976 11.517 15.022 1.00 1.04 N ATOM 1474 CA GLY B 119 -2.607 10.823 13.798 1.00 0.97 C ATOM 1475 C GLY B 119 -1.935 9.523 14.179 1.00 0.93 C ATOM 1476 O GLY B 119 -1.979 9.177 15.353 1.00 1.02 O ATOM 0 H GLY B 119 -2.188 11.815 15.596 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -3.490 10.631 13.189 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -1.935 11.438 13.200 1.00 0.97 H new ATOM 1480 N ARG B 120 -1.302 8.782 13.263 1.00 0.87 N ATOM 1481 CA ARG B 120 -0.648 7.532 13.642 1.00 0.87 C ATOM 1482 C ARG B 120 0.814 7.585 13.197 1.00 0.80 C ATOM 1483 O ARG B 120 1.187 8.485 12.451 1.00 0.79 O ATOM 1484 CB ARG B 120 -1.345 6.350 12.971 1.00 0.95 C ATOM 1485 CG ARG B 120 -2.677 5.970 13.600 1.00 1.16 C ATOM 1486 CD ARG B 120 -3.883 6.564 12.869 1.00 1.60 C ATOM 1487 NE ARG B 120 -3.625 6.917 11.466 1.00 1.82 N ATOM 1488 CZ ARG B 120 -3.308 6.044 10.509 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -3.066 4.776 10.805 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -3.204 6.451 9.250 1.00 2.89 N ATOM 0 H ARG B 120 -1.231 9.022 12.274 1.00 0.87 H new ATOM 0 HA ARG B 120 -0.705 7.405 14.723 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -1.508 6.588 11.920 1.00 0.95 H new ATOM 0 HB3 ARG B 120 -0.681 5.486 13.003 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -2.768 4.884 13.613 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -2.689 6.304 14.638 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -4.705 5.849 12.906 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -4.213 7.456 13.401 1.00 1.60 H new ATOM 0 HE ARG B 120 -3.693 7.901 11.205 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -3.121 4.459 11.773 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -2.824 4.117 10.065 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -3.366 7.430 9.016 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -2.962 5.784 8.517 1.00 2.89 H new ATOM 1504 N CYS B 121 1.652 6.650 13.640 1.00 0.82 N ATOM 1505 CA CYS B 121 3.069 6.689 13.259 1.00 0.81 C ATOM 1506 C CYS B 121 3.455 5.596 12.270 1.00 0.85 C ATOM 1507 O CYS B 121 2.755 4.597 12.110 1.00 1.05 O ATOM 1508 CB CYS B 121 3.959 6.548 14.497 1.00 0.91 C ATOM 1509 SG CYS B 121 4.145 8.058 15.499 1.00 1.07 S ATOM 0 H CYS B 121 1.388 5.874 14.247 1.00 0.82 H new ATOM 0 HA CYS B 121 3.220 7.654 12.775 1.00 0.81 H new ATOM 0 HB2 CYS B 121 3.551 5.760 15.130 1.00 0.91 H new ATOM 0 HB3 CYS B 121 4.948 6.220 14.178 1.00 0.91 H new ATOM 1514 N PHE B 122 4.604 5.808 11.625 1.00 0.76 N ATOM 1515 CA PHE B 122 5.148 4.863 10.654 1.00 0.84 C ATOM 1516 C PHE B 122 6.668 4.825 10.762 1.00 0.95 C ATOM 1517 O PHE B 122 7.260 3.772 10.999 1.00 1.44 O ATOM 1518 CB PHE B 122 4.732 5.254 9.236 1.00 0.86 C ATOM 1519 CG PHE B 122 3.273 5.044 8.982 1.00 0.86 C ATOM 1520 CD1 PHE B 122 2.341 5.967 9.428 1.00 1.42 C ATOM 1521 CD2 PHE B 122 2.829 3.911 8.318 1.00 1.41 C ATOM 1522 CE1 PHE B 122 0.991 5.759 9.214 1.00 1.50 C ATOM 1523 CE2 PHE B 122 1.482 3.704 8.099 1.00 1.53 C ATOM 1524 CZ PHE B 122 0.563 4.629 8.548 1.00 1.15 C ATOM 0 H PHE B 122 5.181 6.638 11.762 1.00 0.76 H new ATOM 0 HA PHE B 122 4.750 3.872 10.870 1.00 0.84 H new ATOM 0 HB2 PHE B 122 4.979 6.302 9.066 1.00 0.86 H new ATOM 0 HB3 PHE B 122 5.309 4.670 8.519 1.00 0.86 H new ATOM 0 HD1 PHE B 122 2.671 6.855 9.946 1.00 1.42 H new ATOM 0 HD2 PHE B 122 3.545 3.182 7.968 1.00 1.41 H new ATOM 0 HE1 PHE B 122 0.271 6.482 9.568 1.00 1.50 H new ATOM 0 HE2 PHE B 122 1.148 2.819 7.577 1.00 1.53 H new ATOM 0 HZ PHE B 122 -0.492 4.469 8.378 1.00 1.15 H new ATOM 1534 N GLY B 123 7.292 5.991 10.602 1.00 0.84 N ATOM 1535 CA GLY B 123 8.739 6.087 10.697 1.00 0.89 C ATOM 1536 C GLY B 123 9.176 7.046 11.792 1.00 0.89 C ATOM 1537 O GLY B 123 8.334 7.669 12.434 1.00 0.90 O ATOM 0 H GLY B 123 6.819 6.873 10.408 1.00 0.84 H new ATOM 0 HA2 GLY B 123 9.156 5.099 10.893 1.00 0.89 H new ATOM 0 HA3 GLY B 123 9.144 6.420 9.741 1.00 0.89 H new ATOM 1541 N PRO B 124 10.491 7.188 12.033 1.00 1.02 N ATOM 1542 CA PRO B 124 11.011 8.086 13.074 1.00 1.08 C ATOM 1543 C PRO B 124 10.480 9.513 12.932 1.00 0.96 C ATOM 1544 O PRO B 124 9.682 9.968 13.750 1.00 1.02 O ATOM 1545 CB PRO B 124 12.527 8.040 12.869 1.00 1.33 C ATOM 1546 CG PRO B 124 12.780 6.747 12.170 1.00 1.51 C ATOM 1547 CD PRO B 124 11.569 6.487 11.316 1.00 1.26 C ATOM 0 HA PRO B 124 10.702 7.774 14.072 1.00 1.08 H new ATOM 0 HB2 PRO B 124 12.871 8.885 12.273 1.00 1.33 H new ATOM 0 HB3 PRO B 124 13.056 8.085 13.821 1.00 1.33 H new ATOM 0 HG2 PRO B 124 13.681 6.804 11.560 1.00 1.51 H new ATOM 0 HG3 PRO B 124 12.931 5.940 12.887 1.00 1.51 H new ATOM 0 HD2 PRO B 124 11.699 6.875 10.306 1.00 1.26 H new ATOM 0 HD3 PRO B 124 11.363 5.421 11.224 1.00 1.26 H new ATOM 1555 N SER B 125 10.906 10.213 11.883 1.00 0.97 N ATOM 1556 CA SER B 125 10.440 11.579 11.638 1.00 0.92 C ATOM 1557 C SER B 125 9.275 11.564 10.664 1.00 0.76 C ATOM 1558 O SER B 125 8.967 12.568 10.039 1.00 0.78 O ATOM 1559 CB SER B 125 11.571 12.450 11.065 1.00 1.12 C ATOM 1560 OG SER B 125 12.084 13.330 12.050 1.00 1.25 O ATOM 0 H SER B 125 11.569 9.861 11.192 1.00 0.97 H new ATOM 0 HA SER B 125 10.118 12.002 12.589 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.371 11.812 10.690 1.00 1.12 H new ATOM 0 HB3 SER B 125 11.198 13.025 10.217 1.00 1.12 H new ATOM 0 HG SER B 125 12.803 13.872 11.662 1.00 1.25 H new ATOM 1566 N ILE B 126 8.651 10.408 10.508 1.00 0.70 N ATOM 1567 CA ILE B 126 7.562 10.273 9.572 1.00 0.60 C ATOM 1568 C ILE B 126 6.275 9.794 10.255 1.00 0.57 C ATOM 1569 O ILE B 126 6.142 8.627 10.637 1.00 0.74 O ATOM 1570 CB ILE B 126 7.982 9.323 8.432 1.00 0.60 C ATOM 1571 CG1 ILE B 126 9.447 9.573 8.046 1.00 0.79 C ATOM 1572 CG2 ILE B 126 7.086 9.510 7.232 1.00 0.72 C ATOM 1573 CD1 ILE B 126 10.241 8.309 7.826 1.00 0.85 C ATOM 0 H ILE B 126 8.883 9.556 11.018 1.00 0.70 H new ATOM 0 HA ILE B 126 7.341 11.255 9.154 1.00 0.60 H new ATOM 0 HB ILE B 126 7.882 8.296 8.782 1.00 0.60 H new ATOM 0 HG12 ILE B 126 9.476 10.173 7.136 1.00 0.79 H new ATOM 0 HG13 ILE B 126 9.925 10.160 8.830 1.00 0.79 H new ATOM 0 HG21 ILE B 126 7.396 8.832 6.437 1.00 0.72 H new ATOM 0 HG22 ILE B 126 6.055 9.294 7.511 1.00 0.72 H new ATOM 0 HG23 ILE B 126 7.159 10.539 6.880 1.00 0.72 H new ATOM 0 HD11 ILE B 126 11.266 8.565 7.557 1.00 0.85 H new ATOM 0 HD12 ILE B 126 10.244 7.717 8.741 1.00 0.85 H new ATOM 0 HD13 ILE B 126 9.788 7.730 7.021 1.00 0.85 H new ATOM 1585 N CYS B 127 5.342 10.733 10.412 1.00 0.54 N ATOM 1586 CA CYS B 127 4.050 10.482 11.057 1.00 0.53 C ATOM 1587 C CYS B 127 2.918 10.822 10.096 1.00 0.53 C ATOM 1588 O CYS B 127 2.870 11.925 9.570 1.00 0.56 O ATOM 1589 CB CYS B 127 3.960 11.349 12.315 1.00 0.56 C ATOM 1590 SG CYS B 127 2.279 11.760 12.880 1.00 0.89 S ATOM 0 H CYS B 127 5.460 11.695 10.094 1.00 0.54 H new ATOM 0 HA CYS B 127 3.963 9.430 11.329 1.00 0.53 H new ATOM 0 HB2 CYS B 127 4.479 10.835 13.124 1.00 0.56 H new ATOM 0 HB3 CYS B 127 4.498 12.279 12.131 1.00 0.56 H new ATOM 1595 N CYS B 128 2.028 9.870 9.841 1.00 0.53 N ATOM 1596 CA CYS B 128 0.938 10.090 8.906 1.00 0.56 C ATOM 1597 C CYS B 128 -0.424 9.503 9.309 1.00 0.60 C ATOM 1598 O CYS B 128 -0.621 8.296 9.261 1.00 0.76 O ATOM 1599 CB CYS B 128 1.283 9.511 7.523 1.00 0.63 C ATOM 1600 SG CYS B 128 2.922 8.726 7.399 1.00 1.23 S ATOM 0 H CYS B 128 2.042 8.944 10.268 1.00 0.53 H new ATOM 0 HA CYS B 128 0.833 11.175 8.898 1.00 0.56 H new ATOM 0 HB2 CYS B 128 0.524 8.776 7.255 1.00 0.63 H new ATOM 0 HB3 CYS B 128 1.225 10.312 6.786 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.392 10.382 9.641 1.00 0.60 N ATOM 1606 CA GLY B 129 -2.716 9.927 9.947 1.00 0.65 C ATOM 1607 C GLY B 129 -3.646 10.174 8.776 1.00 0.66 C ATOM 1608 O GLY B 129 -3.210 10.358 7.644 1.00 0.64 O ATOM 0 H GLY B 129 -1.261 11.392 9.697 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -2.696 8.863 10.185 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -3.089 10.444 10.831 1.00 0.65 H new ATOM 1612 N ASP B 130 -4.921 10.166 9.054 1.00 0.72 N ATOM 1613 CA ASP B 130 -5.944 10.342 8.033 1.00 0.76 C ATOM 1614 C ASP B 130 -5.996 11.725 7.419 1.00 0.77 C ATOM 1615 O ASP B 130 -5.827 11.872 6.210 1.00 0.81 O ATOM 1616 CB ASP B 130 -7.324 9.991 8.587 1.00 0.84 C ATOM 1617 CG ASP B 130 -8.350 9.816 7.485 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -8.309 8.775 6.795 1.00 2.35 O ATOM 1619 OD2 ASP B 130 -9.191 10.722 7.305 1.00 1.96 O ATOM 0 H ASP B 130 -5.292 10.037 9.996 1.00 0.72 H new ATOM 0 HA ASP B 130 -5.659 9.658 7.233 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -7.258 9.072 9.170 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -7.653 10.777 9.267 1.00 0.84 H new ATOM 1624 N GLU B 131 -6.171 12.731 8.233 1.00 0.79 N ATOM 1625 CA GLU B 131 -6.205 14.080 7.711 1.00 0.85 C ATOM 1626 C GLU B 131 -5.108 14.889 8.342 1.00 0.89 C ATOM 1627 O GLU B 131 -5.172 16.112 8.474 1.00 1.03 O ATOM 1628 CB GLU B 131 -7.554 14.728 8.064 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.531 13.802 8.781 1.00 1.02 C ATOM 1630 CD GLU B 131 -9.972 14.265 8.673 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -10.552 14.157 7.573 1.00 1.69 O ATOM 1632 OE2 GLU B 131 -10.523 14.735 9.693 1.00 1.63 O ATOM 0 H GLU B 131 -6.291 12.651 9.243 1.00 0.79 H new ATOM 0 HA GLU B 131 -6.073 14.050 6.629 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -7.371 15.599 8.693 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -8.021 15.089 7.147 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -8.445 12.799 8.364 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -8.254 13.735 9.833 1.00 1.02 H new ATOM 1639 N LEU B 132 -4.090 14.160 8.672 1.00 0.83 N ATOM 1640 CA LEU B 132 -2.928 14.667 9.267 1.00 0.89 C ATOM 1641 C LEU B 132 -1.827 14.237 8.346 1.00 0.83 C ATOM 1642 O LEU B 132 -0.704 14.738 8.389 1.00 0.91 O ATOM 1643 CB LEU B 132 -2.800 14.038 10.645 1.00 0.93 C ATOM 1644 CG LEU B 132 -2.736 15.013 11.817 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -3.081 14.302 13.115 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -1.370 15.671 11.906 1.00 1.38 C ATOM 0 H LEU B 132 -4.060 13.152 8.521 1.00 0.83 H new ATOM 0 HA LEU B 132 -2.917 15.749 9.402 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -3.647 13.370 10.799 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -1.901 13.422 10.660 1.00 0.93 H new ATOM 0 HG LEU B 132 -3.472 15.799 11.648 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -3.031 15.010 13.942 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -4.089 13.892 13.049 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -2.371 13.493 13.287 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -1.353 16.361 12.750 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -0.606 14.906 12.047 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -1.169 16.219 10.985 1.00 1.38 H new ATOM 1658 N GLY B 133 -2.215 13.326 7.439 1.00 0.72 N ATOM 1659 CA GLY B 133 -1.343 12.867 6.445 1.00 0.70 C ATOM 1660 C GLY B 133 -0.031 12.405 6.997 1.00 0.66 C ATOM 1661 O GLY B 133 -0.036 11.710 7.982 1.00 0.65 O ATOM 0 H GLY B 133 -3.147 12.913 7.408 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -1.814 12.046 5.904 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -1.168 13.665 5.724 1.00 0.70 H new ATOM 1665 N CYS B 134 1.081 12.823 6.412 1.00 0.69 N ATOM 1666 CA CYS B 134 2.384 12.418 6.935 1.00 0.68 C ATOM 1667 C CYS B 134 3.306 13.576 7.145 1.00 0.64 C ATOM 1668 O CYS B 134 3.807 14.142 6.179 1.00 0.62 O ATOM 1669 CB CYS B 134 3.080 11.431 6.013 1.00 0.72 C ATOM 1670 SG CYS B 134 4.149 10.250 6.880 1.00 1.08 S ATOM 0 H CYS B 134 1.113 13.429 5.592 1.00 0.69 H new ATOM 0 HA CYS B 134 2.171 11.949 7.896 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.326 10.880 5.450 1.00 0.72 H new ATOM 0 HB3 CYS B 134 3.678 11.984 5.288 1.00 0.72 H new ATOM 1675 N PHE B 135 3.624 13.876 8.396 1.00 0.67 N ATOM 1676 CA PHE B 135 4.555 14.900 8.652 1.00 0.66 C ATOM 1677 C PHE B 135 5.873 14.195 8.592 1.00 0.64 C ATOM 1678 O PHE B 135 6.226 13.446 9.504 1.00 0.64 O ATOM 1679 CB PHE B 135 4.307 15.496 10.038 1.00 0.70 C ATOM 1680 CG PHE B 135 3.060 16.334 10.135 1.00 0.72 C ATOM 1681 CD1 PHE B 135 2.087 16.290 9.145 1.00 1.15 C ATOM 1682 CD2 PHE B 135 2.871 17.183 11.210 1.00 0.96 C ATOM 1683 CE1 PHE B 135 0.957 17.075 9.233 1.00 1.36 C ATOM 1684 CE2 PHE B 135 1.743 17.970 11.301 1.00 1.19 C ATOM 1685 CZ PHE B 135 0.784 17.918 10.312 1.00 1.23 C ATOM 0 H PHE B 135 3.242 13.416 9.223 1.00 0.67 H new ATOM 0 HA PHE B 135 4.496 15.731 7.949 1.00 0.66 H new ATOM 0 HB2 PHE B 135 4.244 14.685 10.764 1.00 0.70 H new ATOM 0 HB3 PHE B 135 5.165 16.108 10.317 1.00 0.70 H new ATOM 0 HD1 PHE B 135 2.217 15.634 8.297 1.00 1.15 H new ATOM 0 HD2 PHE B 135 3.617 17.230 11.989 1.00 0.96 H new ATOM 0 HE1 PHE B 135 0.207 17.030 8.457 1.00 1.36 H new ATOM 0 HE2 PHE B 135 1.610 18.628 12.147 1.00 1.19 H new ATOM 0 HZ PHE B 135 -0.100 18.535 10.381 1.00 1.23 H new ATOM 1695 N VAL B 136 6.600 14.399 7.526 1.00 0.66 N ATOM 1696 CA VAL B 136 7.854 13.735 7.401 1.00 0.68 C ATOM 1697 C VAL B 136 8.924 14.693 7.850 1.00 0.71 C ATOM 1698 O VAL B 136 9.528 15.436 7.072 1.00 0.74 O ATOM 1699 CB VAL B 136 8.082 13.192 5.968 1.00 0.73 C ATOM 1700 CG1 VAL B 136 9.154 12.124 5.971 1.00 0.75 C ATOM 1701 CG2 VAL B 136 6.764 12.641 5.390 1.00 0.74 C ATOM 0 H VAL B 136 6.346 15.009 6.749 1.00 0.66 H new ATOM 0 HA VAL B 136 7.880 12.849 8.035 1.00 0.68 H new ATOM 0 HB VAL B 136 8.420 14.011 5.334 1.00 0.73 H new ATOM 0 HG11 VAL B 136 9.301 11.754 4.957 1.00 0.75 H new ATOM 0 HG12 VAL B 136 10.088 12.547 6.342 1.00 0.75 H new ATOM 0 HG13 VAL B 136 8.846 11.301 6.616 1.00 0.75 H new ATOM 0 HG21 VAL B 136 6.938 12.263 4.383 1.00 0.74 H new ATOM 0 HG22 VAL B 136 6.399 11.832 6.023 1.00 0.74 H new ATOM 0 HG23 VAL B 136 6.021 13.438 5.355 1.00 0.74 H new ATOM 1711 N GLY B 137 9.110 14.671 9.157 1.00 0.72 N ATOM 1712 CA GLY B 137 10.098 15.534 9.793 1.00 0.76 C ATOM 1713 C GLY B 137 9.500 16.643 10.647 1.00 0.73 C ATOM 1714 O GLY B 137 9.221 17.731 10.154 1.00 0.83 O ATOM 0 H GLY B 137 8.594 14.069 9.799 1.00 0.72 H new ATOM 0 HA2 GLY B 137 10.751 14.923 10.416 1.00 0.76 H new ATOM 0 HA3 GLY B 137 10.723 15.982 9.021 1.00 0.76 H new ATOM 1718 N THR B 138 9.343 16.373 11.938 1.00 0.69 N ATOM 1719 CA THR B 138 8.815 17.356 12.883 1.00 0.70 C ATOM 1720 C THR B 138 8.729 16.742 14.267 1.00 0.73 C ATOM 1721 O THR B 138 8.898 15.532 14.422 1.00 0.77 O ATOM 1722 CB THR B 138 7.450 17.888 12.445 1.00 0.73 C ATOM 1723 OG1 THR B 138 6.693 18.324 13.561 1.00 0.78 O ATOM 1724 CG2 THR B 138 6.625 16.875 11.700 1.00 0.77 C ATOM 0 H THR B 138 9.576 15.474 12.359 1.00 0.69 H new ATOM 0 HA THR B 138 9.499 18.204 12.906 1.00 0.70 H new ATOM 0 HB THR B 138 7.671 18.717 11.773 1.00 0.73 H new ATOM 0 HG1 THR B 138 5.825 18.661 13.256 1.00 0.78 H new ATOM 0 HG21 THR B 138 5.670 17.319 11.419 1.00 0.77 H new ATOM 0 HG22 THR B 138 7.157 16.562 10.802 1.00 0.77 H new ATOM 0 HG23 THR B 138 6.449 16.009 12.338 1.00 0.77 H new ATOM 1732 N ALA B 139 8.464 17.554 15.281 1.00 0.79 N ATOM 1733 CA ALA B 139 8.374 17.046 16.638 1.00 0.88 C ATOM 1734 C ALA B 139 7.085 16.277 16.890 1.00 0.83 C ATOM 1735 O ALA B 139 7.045 15.403 17.754 1.00 0.87 O ATOM 1736 CB ALA B 139 8.476 18.201 17.627 1.00 1.04 C ATOM 0 H ALA B 139 8.309 18.558 15.189 1.00 0.79 H new ATOM 0 HA ALA B 139 9.202 16.351 16.777 1.00 0.88 H new ATOM 0 HB1 ALA B 139 8.408 17.816 18.644 1.00 1.04 H new ATOM 0 HB2 ALA B 139 9.431 18.710 17.495 1.00 1.04 H new ATOM 0 HB3 ALA B 139 7.662 18.904 17.450 1.00 1.04 H new ATOM 1742 N GLU B 140 6.055 16.542 16.097 1.00 0.79 N ATOM 1743 CA GLU B 140 4.791 15.832 16.249 1.00 0.79 C ATOM 1744 C GLU B 140 4.983 14.339 16.011 1.00 0.73 C ATOM 1745 O GLU B 140 4.202 13.520 16.492 1.00 0.79 O ATOM 1746 CB GLU B 140 3.738 16.397 15.290 1.00 0.83 C ATOM 1747 CG GLU B 140 2.820 17.427 15.932 1.00 1.27 C ATOM 1748 CD GLU B 140 3.340 18.846 15.787 1.00 1.55 C ATOM 1749 OE1 GLU B 140 4.363 19.172 16.424 1.00 2.31 O ATOM 1750 OE2 GLU B 140 2.721 19.630 15.036 1.00 1.90 O ATOM 0 H GLU B 140 6.068 17.236 15.349 1.00 0.79 H new ATOM 0 HA GLU B 140 4.438 15.975 17.270 1.00 0.79 H new ATOM 0 HB2 GLU B 140 4.242 16.853 14.438 1.00 0.83 H new ATOM 0 HB3 GLU B 140 3.135 15.576 14.902 1.00 0.83 H new ATOM 0 HG2 GLU B 140 1.831 17.359 15.479 1.00 1.27 H new ATOM 0 HG3 GLU B 140 2.703 17.194 16.990 1.00 1.27 H new ATOM 1757 N ALA B 141 6.010 13.993 15.238 1.00 0.69 N ATOM 1758 CA ALA B 141 6.294 12.616 14.908 1.00 0.70 C ATOM 1759 C ALA B 141 7.367 12.032 15.817 1.00 0.77 C ATOM 1760 O ALA B 141 7.505 10.830 15.897 1.00 0.87 O ATOM 1761 CB ALA B 141 6.713 12.514 13.446 1.00 0.75 C ATOM 0 H ALA B 141 6.661 14.663 14.829 1.00 0.69 H new ATOM 0 HA ALA B 141 5.386 12.033 15.063 1.00 0.70 H new ATOM 0 HB1 ALA B 141 6.927 11.474 13.200 1.00 0.75 H new ATOM 0 HB2 ALA B 141 5.906 12.879 12.810 1.00 0.75 H new ATOM 0 HB3 ALA B 141 7.606 13.117 13.281 1.00 0.75 H new ATOM 1767 N LEU B 142 8.168 12.886 16.445 1.00 0.80 N ATOM 1768 CA LEU B 142 9.279 12.421 17.288 1.00 0.93 C ATOM 1769 C LEU B 142 8.925 11.170 18.094 1.00 1.06 C ATOM 1770 O LEU B 142 9.685 10.200 18.082 1.00 1.24 O ATOM 1771 CB LEU B 142 9.762 13.541 18.220 1.00 0.97 C ATOM 1772 CG LEU B 142 11.062 14.233 17.793 1.00 1.01 C ATOM 1773 CD1 LEU B 142 11.127 15.647 18.349 1.00 1.11 C ATOM 1774 CD2 LEU B 142 12.270 13.431 18.251 1.00 1.14 C ATOM 0 H LEU B 142 8.075 13.900 16.391 1.00 0.80 H new ATOM 0 HA LEU B 142 10.089 12.146 16.613 1.00 0.93 H new ATOM 0 HB2 LEU B 142 8.977 14.293 18.295 1.00 0.97 H new ATOM 0 HB3 LEU B 142 9.901 13.126 19.218 1.00 0.97 H new ATOM 0 HG LEU B 142 11.074 14.289 16.705 1.00 1.01 H new ATOM 0 HD11 LEU B 142 12.057 16.119 18.034 1.00 1.11 H new ATOM 0 HD12 LEU B 142 10.282 16.224 17.974 1.00 1.11 H new ATOM 0 HD13 LEU B 142 11.088 15.612 19.438 1.00 1.11 H new ATOM 0 HD21 LEU B 142 13.183 13.938 17.939 1.00 1.14 H new ATOM 0 HD22 LEU B 142 12.257 13.343 19.337 1.00 1.14 H new ATOM 0 HD23 LEU B 142 12.237 12.437 17.806 1.00 1.14 H new ATOM 1786 N ARG B 143 7.775 11.153 18.751 1.00 1.06 N ATOM 1787 CA ARG B 143 7.364 9.957 19.493 1.00 1.26 C ATOM 1788 C ARG B 143 7.400 8.744 18.550 1.00 1.27 C ATOM 1789 O ARG B 143 7.521 7.599 18.979 1.00 1.49 O ATOM 1790 CB ARG B 143 5.960 10.149 20.082 1.00 1.35 C ATOM 1791 CG ARG B 143 4.872 10.373 19.038 1.00 1.36 C ATOM 1792 CD ARG B 143 4.689 11.848 18.700 1.00 1.50 C ATOM 1793 NE ARG B 143 4.375 12.664 19.873 1.00 1.90 N ATOM 1794 CZ ARG B 143 3.156 12.771 20.395 1.00 2.20 C ATOM 1795 NH1 ARG B 143 2.163 12.032 19.923 1.00 2.36 N ATOM 1796 NH2 ARG B 143 2.932 13.601 21.406 1.00 2.93 N ATOM 0 H ARG B 143 7.118 11.932 18.790 1.00 1.06 H new ATOM 0 HA ARG B 143 8.052 9.786 20.321 1.00 1.26 H new ATOM 0 HB2 ARG B 143 5.704 9.272 20.676 1.00 1.35 H new ATOM 0 HB3 ARG B 143 5.976 11.000 20.762 1.00 1.35 H new ATOM 0 HG2 ARG B 143 5.123 9.823 18.131 1.00 1.36 H new ATOM 0 HG3 ARG B 143 3.930 9.967 19.406 1.00 1.36 H new ATOM 0 HD2 ARG B 143 5.600 12.225 18.234 1.00 1.50 H new ATOM 0 HD3 ARG B 143 3.889 11.951 17.967 1.00 1.50 H new ATOM 0 HE ARG B 143 5.135 13.181 20.316 1.00 1.90 H new ATOM 0 HH11 ARG B 143 2.332 11.379 19.158 1.00 2.36 H new ATOM 0 HH12 ARG B 143 1.229 12.116 20.325 1.00 2.36 H new ATOM 0 HH21 ARG B 143 3.696 14.160 21.786 1.00 2.93 H new ATOM 0 HH22 ARG B 143 1.996 13.680 21.803 1.00 2.93 H new ATOM 1810 N CYS B 144 7.269 9.048 17.263 1.00 1.10 N ATOM 1811 CA CYS B 144 7.266 7.989 16.245 1.00 1.17 C ATOM 1812 C CYS B 144 8.545 7.159 16.368 1.00 1.44 C ATOM 1813 O CYS B 144 8.588 6.007 15.944 1.00 1.61 O ATOM 1814 CB CYS B 144 7.103 8.509 14.823 1.00 1.05 C ATOM 1815 SG CYS B 144 5.461 9.210 14.461 1.00 1.26 S ATOM 0 H CYS B 144 7.165 9.995 16.900 1.00 1.10 H new ATOM 0 HA CYS B 144 6.391 7.367 16.437 1.00 1.17 H new ATOM 0 HB2 CYS B 144 7.859 9.273 14.640 1.00 1.05 H new ATOM 0 HB3 CYS B 144 7.298 7.694 14.126 1.00 1.05 H new ATOM 1820 N GLN B 145 9.595 7.766 16.919 1.00 1.58 N ATOM 1821 CA GLN B 145 10.890 7.100 17.096 1.00 1.89 C ATOM 1822 C GLN B 145 10.754 5.614 17.456 1.00 2.14 C ATOM 1823 O GLN B 145 11.451 4.768 16.891 1.00 2.40 O ATOM 1824 CB GLN B 145 11.692 7.812 18.186 1.00 2.00 C ATOM 1825 CG GLN B 145 13.187 7.538 18.123 1.00 2.43 C ATOM 1826 CD GLN B 145 13.972 8.359 19.128 1.00 2.77 C ATOM 1827 OE1 GLN B 145 14.228 7.913 20.247 1.00 3.35 O ATOM 1828 NE2 GLN B 145 14.359 9.565 18.731 1.00 3.05 N ATOM 0 H GLN B 145 9.575 8.729 17.255 1.00 1.58 H new ATOM 0 HA GLN B 145 11.408 7.156 16.138 1.00 1.89 H new ATOM 0 HB2 GLN B 145 11.525 8.886 18.105 1.00 2.00 H new ATOM 0 HB3 GLN B 145 11.316 7.504 19.161 1.00 2.00 H new ATOM 0 HG2 GLN B 145 13.367 6.478 18.305 1.00 2.43 H new ATOM 0 HG3 GLN B 145 13.551 7.755 17.119 1.00 2.43 H new ATOM 0 HE21 GLN B 145 14.124 9.893 17.794 1.00 3.05 H new ATOM 0 HE22 GLN B 145 14.891 10.163 19.363 1.00 3.05 H new ATOM 1837 N GLU B 146 9.866 5.282 18.394 1.00 2.12 N ATOM 1838 CA GLU B 146 9.714 3.879 18.790 1.00 2.41 C ATOM 1839 C GLU B 146 8.703 3.167 17.901 1.00 2.40 C ATOM 1840 O GLU B 146 8.584 1.937 17.922 1.00 2.57 O ATOM 1841 CB GLU B 146 9.265 3.791 20.252 1.00 2.47 C ATOM 1842 CG GLU B 146 9.509 2.431 20.886 1.00 2.88 C ATOM 1843 CD GLU B 146 10.782 2.392 21.707 1.00 3.26 C ATOM 1844 OE1 GLU B 146 10.760 2.871 22.860 1.00 3.59 O ATOM 1845 OE2 GLU B 146 11.802 1.883 21.196 1.00 3.76 O ATOM 0 H GLU B 146 9.258 5.940 18.881 1.00 2.12 H new ATOM 0 HA GLU B 146 10.681 3.389 18.676 1.00 2.41 H new ATOM 0 HB2 GLU B 146 9.790 4.551 20.830 1.00 2.47 H new ATOM 0 HB3 GLU B 146 8.202 4.024 20.311 1.00 2.47 H new ATOM 0 HG2 GLU B 146 8.662 2.174 21.522 1.00 2.88 H new ATOM 0 HG3 GLU B 146 9.562 1.674 20.104 1.00 2.88 H new ATOM 1852 N GLU B 147 8.039 3.933 17.056 1.00 2.27 N ATOM 1853 CA GLU B 147 7.098 3.370 16.119 1.00 2.36 C ATOM 1854 C GLU B 147 7.841 2.906 14.872 1.00 2.40 C ATOM 1855 O GLU B 147 7.236 2.462 13.901 1.00 2.48 O ATOM 1856 CB GLU B 147 6.007 4.382 15.783 1.00 2.40 C ATOM 1857 CG GLU B 147 4.951 4.482 16.873 1.00 2.97 C ATOM 1858 CD GLU B 147 5.425 5.272 18.077 1.00 3.47 C ATOM 1859 OE1 GLU B 147 6.203 4.718 18.882 1.00 3.71 O ATOM 1860 OE2 GLU B 147 5.016 6.443 18.215 1.00 4.01 O ATOM 0 H GLU B 147 8.137 4.947 17.003 1.00 2.27 H new ATOM 0 HA GLU B 147 6.608 2.506 16.568 1.00 2.36 H new ATOM 0 HB2 GLU B 147 6.459 5.362 15.629 1.00 2.40 H new ATOM 0 HB3 GLU B 147 5.530 4.100 14.844 1.00 2.40 H new ATOM 0 HG2 GLU B 147 4.057 4.952 16.464 1.00 2.97 H new ATOM 0 HG3 GLU B 147 4.667 3.479 17.191 1.00 2.97 H new ATOM 1867 N ASN B 148 9.173 2.983 14.931 1.00 2.59 N ATOM 1868 CA ASN B 148 10.014 2.531 13.843 1.00 3.03 C ATOM 1869 C ASN B 148 9.985 1.006 13.780 1.00 3.37 C ATOM 1870 O ASN B 148 10.220 0.415 12.726 1.00 3.85 O ATOM 1871 CB ASN B 148 11.451 3.035 14.019 1.00 3.19 C ATOM 1872 CG ASN B 148 12.223 2.260 15.073 1.00 3.48 C ATOM 1873 OD1 ASN B 148 11.837 2.225 16.241 1.00 3.92 O ATOM 1874 ND2 ASN B 148 13.317 1.633 14.660 1.00 3.79 N ATOM 0 H ASN B 148 9.685 3.358 15.730 1.00 2.59 H new ATOM 0 HA ASN B 148 9.631 2.937 12.907 1.00 3.03 H new ATOM 0 HB2 ASN B 148 11.975 2.964 13.066 1.00 3.19 H new ATOM 0 HB3 ASN B 148 11.430 4.090 14.293 1.00 3.19 H new ATOM 0 HD21 ASN B 148 13.876 1.094 15.321 1.00 3.79 H new ATOM 0 HD22 ASN B 148 13.599 1.690 13.681 1.00 3.79 H new ATOM 1881 N TYR B 149 9.726 0.374 14.934 1.00 3.23 N ATOM 1882 CA TYR B 149 9.703 -1.093 15.039 1.00 3.61 C ATOM 1883 C TYR B 149 8.811 -1.798 13.996 1.00 3.72 C ATOM 1884 O TYR B 149 8.624 -3.011 14.078 1.00 4.14 O ATOM 1885 CB TYR B 149 9.255 -1.504 16.444 1.00 3.69 C ATOM 1886 CG TYR B 149 9.588 -2.938 16.790 1.00 4.04 C ATOM 1887 CD1 TYR B 149 10.908 -3.360 16.887 1.00 4.26 C ATOM 1888 CD2 TYR B 149 8.584 -3.872 17.014 1.00 4.59 C ATOM 1889 CE1 TYR B 149 11.218 -4.671 17.195 1.00 4.76 C ATOM 1890 CE2 TYR B 149 8.885 -5.184 17.325 1.00 5.11 C ATOM 1891 CZ TYR B 149 10.203 -5.579 17.414 1.00 5.09 C ATOM 1892 OH TYR B 149 10.507 -6.886 17.723 1.00 5.73 O ATOM 0 H TYR B 149 9.529 0.857 15.810 1.00 3.23 H new ATOM 0 HA TYR B 149 10.724 -1.418 14.836 1.00 3.61 H new ATOM 0 HB2 TYR B 149 9.725 -0.844 17.174 1.00 3.69 H new ATOM 0 HB3 TYR B 149 8.178 -1.359 16.530 1.00 3.69 H new ATOM 0 HD1 TYR B 149 11.706 -2.651 16.719 1.00 4.26 H new ATOM 0 HD2 TYR B 149 7.550 -3.567 16.944 1.00 4.59 H new ATOM 0 HE1 TYR B 149 12.250 -4.983 17.264 1.00 4.76 H new ATOM 0 HE2 TYR B 149 8.092 -5.897 17.498 1.00 5.11 H new ATOM 0 HH TYR B 149 9.678 -7.394 17.848 1.00 5.73 H new ATOM 1902 N LEU B 150 8.283 -1.072 13.007 1.00 3.60 N ATOM 1903 CA LEU B 150 7.457 -1.697 11.970 1.00 3.76 C ATOM 1904 C LEU B 150 7.887 -1.226 10.577 1.00 3.71 C ATOM 1905 O LEU B 150 8.092 -0.034 10.350 1.00 3.86 O ATOM 1906 CB LEU B 150 5.957 -1.439 12.192 1.00 4.10 C ATOM 1907 CG LEU B 150 5.560 -0.060 12.733 1.00 4.74 C ATOM 1908 CD1 LEU B 150 5.917 0.072 14.207 1.00 4.91 C ATOM 1909 CD2 LEU B 150 6.203 1.050 11.916 1.00 5.46 C ATOM 0 H LEU B 150 8.410 -0.065 12.902 1.00 3.60 H new ATOM 0 HA LEU B 150 7.613 -2.774 12.039 1.00 3.76 H new ATOM 0 HB2 LEU B 150 5.443 -1.591 11.243 1.00 4.10 H new ATOM 0 HB3 LEU B 150 5.582 -2.194 12.882 1.00 4.10 H new ATOM 0 HG LEU B 150 4.478 0.038 12.641 1.00 4.74 H new ATOM 0 HD11 LEU B 150 5.625 1.059 14.565 1.00 4.91 H new ATOM 0 HD12 LEU B 150 5.390 -0.692 14.779 1.00 4.91 H new ATOM 0 HD13 LEU B 150 6.992 -0.056 14.334 1.00 4.91 H new ATOM 0 HD21 LEU B 150 5.906 2.018 12.320 1.00 5.46 H new ATOM 0 HD22 LEU B 150 7.288 0.955 11.963 1.00 5.46 H new ATOM 0 HD23 LEU B 150 5.877 0.974 10.879 1.00 5.46 H new ATOM 1921 N PRO B 151 8.059 -2.166 9.625 1.00 3.97 N ATOM 1922 CA PRO B 151 8.491 -1.847 8.265 1.00 4.33 C ATOM 1923 C PRO B 151 7.336 -1.489 7.330 1.00 4.40 C ATOM 1924 O PRO B 151 7.526 -1.390 6.117 1.00 4.80 O ATOM 1925 CB PRO B 151 9.149 -3.147 7.816 1.00 4.97 C ATOM 1926 CG PRO B 151 8.383 -4.218 8.517 1.00 5.02 C ATOM 1927 CD PRO B 151 7.870 -3.618 9.806 1.00 4.41 C ATOM 0 HA PRO B 151 9.139 -0.971 8.240 1.00 4.33 H new ATOM 0 HB2 PRO B 151 9.096 -3.265 6.734 1.00 4.97 H new ATOM 0 HB3 PRO B 151 10.204 -3.172 8.088 1.00 4.97 H new ATOM 0 HG2 PRO B 151 7.557 -4.570 7.899 1.00 5.02 H new ATOM 0 HG3 PRO B 151 9.020 -5.080 8.718 1.00 5.02 H new ATOM 0 HD2 PRO B 151 6.822 -3.866 9.972 1.00 4.41 H new ATOM 0 HD3 PRO B 151 8.426 -3.988 10.667 1.00 4.41 H new ATOM 1935 N SER B 152 6.142 -1.297 7.894 1.00 4.26 N ATOM 1936 CA SER B 152 4.958 -0.953 7.102 1.00 4.43 C ATOM 1937 C SER B 152 3.669 -1.250 7.873 1.00 3.85 C ATOM 1938 O SER B 152 2.789 -0.395 7.979 1.00 3.52 O ATOM 1939 CB SER B 152 4.943 -1.727 5.776 1.00 4.91 C ATOM 1940 OG SER B 152 5.587 -2.983 5.903 1.00 5.73 O ATOM 0 H SER B 152 5.969 -1.374 8.896 1.00 4.26 H new ATOM 0 HA SER B 152 5.008 0.116 6.895 1.00 4.43 H new ATOM 0 HB2 SER B 152 3.913 -1.876 5.451 1.00 4.91 H new ATOM 0 HB3 SER B 152 5.439 -1.139 5.004 1.00 4.91 H new ATOM 0 HG SER B 152 6.533 -2.891 5.663 1.00 5.73 H new ATOM 1946 N PRO B 153 3.530 -2.482 8.396 1.00 4.04 N ATOM 1947 CA PRO B 153 2.332 -2.914 9.131 1.00 3.79 C ATOM 1948 C PRO B 153 1.962 -2.034 10.328 1.00 2.92 C ATOM 1949 O PRO B 153 2.736 -1.884 11.272 1.00 3.04 O ATOM 1950 CB PRO B 153 2.691 -4.329 9.611 1.00 4.60 C ATOM 1951 CG PRO B 153 4.163 -4.449 9.445 1.00 5.10 C ATOM 1952 CD PRO B 153 4.512 -3.575 8.285 1.00 4.86 C ATOM 0 HA PRO B 153 1.456 -2.857 8.485 1.00 3.79 H new ATOM 0 HB2 PRO B 153 2.401 -4.475 10.652 1.00 4.60 H new ATOM 0 HB3 PRO B 153 2.168 -5.085 9.026 1.00 4.60 H new ATOM 0 HG2 PRO B 153 4.686 -4.130 10.347 1.00 5.10 H new ATOM 0 HG3 PRO B 153 4.453 -5.483 9.257 1.00 5.10 H new ATOM 0 HD2 PRO B 153 5.536 -3.207 8.349 1.00 4.86 H new ATOM 0 HD3 PRO B 153 4.422 -4.105 7.337 1.00 4.86 H new ATOM 1960 N CYS B 154 0.742 -1.493 10.289 1.00 2.52 N ATOM 1961 CA CYS B 154 0.208 -0.662 11.370 1.00 1.97 C ATOM 1962 C CYS B 154 -1.230 -0.234 11.030 1.00 2.15 C ATOM 1963 O CYS B 154 -1.445 0.564 10.116 1.00 2.65 O ATOM 1964 CB CYS B 154 1.146 0.531 11.636 1.00 2.30 C ATOM 1965 SG CYS B 154 0.536 2.170 11.120 1.00 2.68 S ATOM 0 H CYS B 154 0.098 -1.619 9.508 1.00 2.52 H new ATOM 0 HA CYS B 154 0.162 -1.234 12.297 1.00 1.97 H new ATOM 0 HB2 CYS B 154 1.360 0.566 12.704 1.00 2.30 H new ATOM 0 HB3 CYS B 154 2.092 0.342 11.128 1.00 2.30 H new ATOM 1970 N GLN B 155 -2.218 -0.818 11.739 1.00 2.16 N ATOM 1971 CA GLN B 155 -3.634 -0.543 11.482 1.00 2.64 C ATOM 1972 C GLN B 155 -3.927 -0.249 9.997 1.00 2.19 C ATOM 1973 O GLN B 155 -3.192 -0.695 9.116 1.00 2.43 O ATOM 1974 CB GLN B 155 -4.173 0.549 12.409 1.00 3.40 C ATOM 1975 CG GLN B 155 -3.624 1.937 12.159 1.00 4.33 C ATOM 1976 CD GLN B 155 -4.346 2.976 12.997 1.00 5.12 C ATOM 1977 OE1 GLN B 155 -3.994 3.214 14.152 1.00 5.61 O ATOM 1978 NE2 GLN B 155 -5.371 3.592 12.421 1.00 5.63 N ATOM 0 H GLN B 155 -2.053 -1.484 12.494 1.00 2.16 H new ATOM 0 HA GLN B 155 -4.177 -1.459 11.715 1.00 2.64 H new ATOM 0 HB2 GLN B 155 -5.258 0.582 12.312 1.00 3.40 H new ATOM 0 HB3 GLN B 155 -3.953 0.269 13.439 1.00 3.40 H new ATOM 0 HG2 GLN B 155 -2.559 1.956 12.391 1.00 4.33 H new ATOM 0 HG3 GLN B 155 -3.725 2.185 11.102 1.00 4.33 H new ATOM 0 HE21 GLN B 155 -5.629 3.364 11.461 1.00 5.63 H new ATOM 0 HE22 GLN B 155 -5.901 4.293 12.939 1.00 5.63 H new ATOM 1987 N SER B 156 -5.019 0.467 9.723 1.00 2.21 N ATOM 1988 CA SER B 156 -5.425 0.773 8.352 1.00 2.03 C ATOM 1989 C SER B 156 -4.646 1.944 7.751 1.00 1.77 C ATOM 1990 O SER B 156 -4.885 3.107 8.073 1.00 2.17 O ATOM 1991 CB SER B 156 -6.922 1.075 8.308 1.00 2.58 C ATOM 1992 OG SER B 156 -7.454 0.820 7.019 1.00 3.11 O ATOM 0 H SER B 156 -5.640 0.847 10.437 1.00 2.21 H new ATOM 0 HA SER B 156 -5.200 -0.107 7.750 1.00 2.03 H new ATOM 0 HB2 SER B 156 -7.442 0.465 9.047 1.00 2.58 H new ATOM 0 HB3 SER B 156 -7.094 2.117 8.577 1.00 2.58 H new ATOM 0 HG SER B 156 -8.414 1.019 7.016 1.00 3.11 H new ATOM 1998 N GLY B 157 -3.721 1.606 6.868 1.00 1.55 N ATOM 1999 CA GLY B 157 -2.904 2.600 6.198 1.00 1.82 C ATOM 2000 C GLY B 157 -1.710 1.964 5.527 1.00 1.65 C ATOM 2001 O GLY B 157 -0.631 2.555 5.462 1.00 2.07 O ATOM 0 H GLY B 157 -3.517 0.644 6.598 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -3.504 3.127 5.456 1.00 1.82 H new ATOM 0 HA3 GLY B 157 -2.566 3.343 6.920 1.00 1.82 H new ATOM 2005 N GLN B 158 -1.911 0.751 5.012 1.00 1.33 N ATOM 2006 CA GLN B 158 -0.855 0.038 4.332 1.00 1.42 C ATOM 2007 C GLN B 158 -1.268 -0.328 2.911 1.00 1.04 C ATOM 2008 O GLN B 158 -1.552 -1.482 2.604 1.00 0.95 O ATOM 2009 CB GLN B 158 -0.513 -1.231 5.119 1.00 1.93 C ATOM 2010 CG GLN B 158 0.919 -1.703 4.936 1.00 2.76 C ATOM 2011 CD GLN B 158 1.014 -2.960 4.095 1.00 3.57 C ATOM 2012 OE1 GLN B 158 1.469 -2.923 2.954 1.00 3.89 O ATOM 2013 NE2 GLN B 158 0.579 -4.083 4.656 1.00 4.34 N ATOM 0 H GLN B 158 -2.799 0.250 5.058 1.00 1.33 H new ATOM 0 HA GLN B 158 0.021 0.684 4.273 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -0.692 -1.049 6.179 1.00 1.93 H new ATOM 0 HB3 GLN B 158 -1.190 -2.029 4.814 1.00 1.93 H new ATOM 0 HG2 GLN B 158 1.502 -0.911 4.466 1.00 2.76 H new ATOM 0 HG3 GLN B 158 1.364 -1.889 5.913 1.00 2.76 H new ATOM 0 HE21 GLN B 158 0.209 -4.068 5.606 1.00 4.34 H new ATOM 0 HE22 GLN B 158 0.615 -4.960 4.136 1.00 4.34 H new ATOM 2022 N LYS B 159 -1.295 0.678 2.066 1.00 1.15 N ATOM 2023 CA LYS B 159 -1.571 0.535 0.640 1.00 1.13 C ATOM 2024 C LYS B 159 -0.290 0.708 -0.178 1.00 0.95 C ATOM 2025 O LYS B 159 -0.070 1.817 -0.676 1.00 0.91 O ATOM 2026 CB LYS B 159 -2.656 1.488 0.201 1.00 1.54 C ATOM 2027 CG LYS B 159 -3.764 0.805 -0.574 1.00 1.91 C ATOM 2028 CD LYS B 159 -4.912 1.758 -0.836 1.00 2.18 C ATOM 2029 CE LYS B 159 -5.029 2.099 -2.311 1.00 2.81 C ATOM 2030 NZ LYS B 159 -4.267 3.330 -2.661 1.00 3.54 N ATOM 0 H LYS B 159 -1.123 1.643 2.350 1.00 1.15 H new ATOM 0 HA LYS B 159 -1.940 -0.475 0.458 1.00 1.13 H new ATOM 0 HB2 LYS B 159 -3.081 1.976 1.078 1.00 1.54 H new ATOM 0 HB3 LYS B 159 -2.216 2.271 -0.417 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -3.373 0.432 -1.521 1.00 1.91 H new ATOM 0 HG3 LYS B 159 -4.124 -0.059 -0.015 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -5.844 1.310 -0.490 1.00 2.18 H new ATOM 0 HD3 LYS B 159 -4.765 2.672 -0.261 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -4.661 1.263 -2.907 1.00 2.81 H new ATOM 0 HE3 LYS B 159 -6.079 2.237 -2.569 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 -4.373 3.527 -3.677 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 -4.634 4.133 -2.112 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -3.261 3.190 -2.439 1.00 3.54 H new ATOM 2044 N PRO B 160 0.591 -0.288 -0.295 1.00 1.05 N ATOM 2045 CA PRO B 160 1.859 -0.129 -1.029 1.00 1.14 C ATOM 2046 C PRO B 160 1.710 0.351 -2.475 1.00 1.10 C ATOM 2047 O PRO B 160 1.290 -0.394 -3.359 1.00 1.23 O ATOM 2048 CB PRO B 160 2.492 -1.522 -0.979 1.00 1.46 C ATOM 2049 CG PRO B 160 1.391 -2.438 -0.559 1.00 1.51 C ATOM 2050 CD PRO B 160 0.473 -1.617 0.301 1.00 1.27 C ATOM 0 HA PRO B 160 2.463 0.653 -0.569 1.00 1.14 H new ATOM 0 HB2 PRO B 160 2.892 -1.808 -1.952 1.00 1.46 H new ATOM 0 HB3 PRO B 160 3.321 -1.553 -0.272 1.00 1.46 H new ATOM 0 HG2 PRO B 160 0.862 -2.835 -1.425 1.00 1.51 H new ATOM 0 HG3 PRO B 160 1.783 -3.292 -0.006 1.00 1.51 H new ATOM 0 HD2 PRO B 160 -0.552 -1.987 0.270 1.00 1.27 H new ATOM 0 HD3 PRO B 160 0.782 -1.623 1.346 1.00 1.27 H new ATOM 2058 N CYS B 161 2.102 1.604 -2.691 1.00 1.09 N ATOM 2059 CA CYS B 161 2.067 2.239 -4.007 1.00 1.15 C ATOM 2060 C CYS B 161 3.305 3.130 -4.160 1.00 1.37 C ATOM 2061 O CYS B 161 3.893 3.533 -3.158 1.00 1.58 O ATOM 2062 CB CYS B 161 0.772 3.044 -4.168 1.00 1.32 C ATOM 2063 SG CYS B 161 0.900 4.819 -3.760 1.00 1.58 S ATOM 0 H CYS B 161 2.456 2.212 -1.953 1.00 1.09 H new ATOM 0 HA CYS B 161 2.082 1.482 -4.791 1.00 1.15 H new ATOM 0 HB2 CYS B 161 0.430 2.949 -5.199 1.00 1.32 H new ATOM 0 HB3 CYS B 161 0.005 2.597 -3.535 1.00 1.32 H new ATOM 2068 N GLY B 162 3.750 3.403 -5.385 1.00 1.57 N ATOM 2069 CA GLY B 162 4.973 4.180 -5.528 1.00 1.88 C ATOM 2070 C GLY B 162 6.180 3.316 -5.197 1.00 2.05 C ATOM 2071 O GLY B 162 6.058 2.089 -5.182 1.00 2.37 O ATOM 0 H GLY B 162 3.304 3.112 -6.255 1.00 1.57 H new ATOM 0 HA2 GLY B 162 5.055 4.560 -6.546 1.00 1.88 H new ATOM 0 HA3 GLY B 162 4.943 5.046 -4.867 1.00 1.88 H new ATOM 2075 N SER B 163 7.356 3.908 -5.000 1.00 2.40 N ATOM 2076 CA SER B 163 8.534 3.092 -4.756 1.00 2.93 C ATOM 2077 C SER B 163 8.483 2.383 -3.398 1.00 2.71 C ATOM 2078 O SER B 163 9.324 2.617 -2.530 1.00 3.29 O ATOM 2079 CB SER B 163 9.798 3.947 -4.858 1.00 3.81 C ATOM 2080 OG SER B 163 10.793 3.294 -5.631 1.00 4.07 O ATOM 0 H SER B 163 7.513 4.916 -5.004 1.00 2.40 H new ATOM 0 HA SER B 163 8.554 2.318 -5.523 1.00 2.93 H new ATOM 0 HB2 SER B 163 9.555 4.909 -5.309 1.00 3.81 H new ATOM 0 HB3 SER B 163 10.184 4.152 -3.860 1.00 3.81 H new ATOM 0 HG SER B 163 11.591 3.861 -5.683 1.00 4.07 H new ATOM 2086 N GLY B 164 7.524 1.476 -3.253 1.00 2.12 N ATOM 2087 CA GLY B 164 7.424 0.686 -2.036 1.00 2.11 C ATOM 2088 C GLY B 164 6.790 1.416 -0.887 1.00 1.92 C ATOM 2089 O GLY B 164 6.954 1.028 0.274 1.00 2.20 O ATOM 0 H GLY B 164 6.813 1.272 -3.955 1.00 2.12 H new ATOM 0 HA2 GLY B 164 6.846 -0.214 -2.245 1.00 2.11 H new ATOM 0 HA3 GLY B 164 8.422 0.362 -1.742 1.00 2.11 H new ATOM 2093 N GLY B 165 6.049 2.488 -1.186 1.00 1.61 N ATOM 2094 CA GLY B 165 5.413 3.234 -0.132 1.00 1.60 C ATOM 2095 C GLY B 165 3.935 2.952 -0.028 1.00 1.42 C ATOM 2096 O GLY B 165 3.198 3.067 -1.003 1.00 1.62 O ATOM 0 H GLY B 165 5.886 2.840 -2.129 1.00 1.61 H new ATOM 0 HA2 GLY B 165 5.892 2.994 0.817 1.00 1.60 H new ATOM 0 HA3 GLY B 165 5.564 4.300 -0.305 1.00 1.60 H new ATOM 2100 N ARG B 166 3.508 2.585 1.165 1.00 1.16 N ATOM 2101 CA ARG B 166 2.111 2.294 1.413 1.00 1.03 C ATOM 2102 C ARG B 166 1.367 3.570 1.790 1.00 0.95 C ATOM 2103 O ARG B 166 1.974 4.503 2.312 1.00 1.04 O ATOM 2104 CB ARG B 166 1.936 1.204 2.473 1.00 1.08 C ATOM 2105 CG ARG B 166 2.932 1.275 3.621 1.00 1.23 C ATOM 2106 CD ARG B 166 4.187 0.463 3.332 1.00 1.39 C ATOM 2107 NE ARG B 166 3.883 -0.895 2.882 1.00 1.79 N ATOM 2108 CZ ARG B 166 4.724 -1.647 2.171 1.00 2.31 C ATOM 2109 NH1 ARG B 166 5.913 -1.173 1.815 1.00 2.54 N ATOM 2110 NH2 ARG B 166 4.378 -2.876 1.813 1.00 3.05 N ATOM 0 H ARG B 166 4.112 2.481 1.980 1.00 1.16 H new ATOM 0 HA ARG B 166 1.677 1.904 0.492 1.00 1.03 H new ATOM 0 HB2 ARG B 166 0.927 1.269 2.880 1.00 1.08 H new ATOM 0 HB3 ARG B 166 2.024 0.230 1.992 1.00 1.08 H new ATOM 0 HG2 ARG B 166 3.205 2.315 3.801 1.00 1.23 H new ATOM 0 HG3 ARG B 166 2.462 0.906 4.533 1.00 1.23 H new ATOM 0 HD2 ARG B 166 4.778 0.971 2.570 1.00 1.39 H new ATOM 0 HD3 ARG B 166 4.801 0.416 4.232 1.00 1.39 H new ATOM 0 HE ARG B 166 2.975 -1.290 3.126 1.00 1.79 H new ATOM 0 HH11 ARG B 166 6.187 -0.229 2.086 1.00 2.54 H new ATOM 0 HH12 ARG B 166 6.551 -1.754 1.271 1.00 2.54 H new ATOM 0 HH21 ARG B 166 3.467 -3.248 2.081 1.00 3.05 H new ATOM 0 HH22 ARG B 166 5.023 -3.449 1.269 1.00 3.05 H new ATOM 2124 N CYS B 167 0.059 3.630 1.520 1.00 0.87 N ATOM 2125 CA CYS B 167 -0.690 4.793 1.831 1.00 0.88 C ATOM 2126 C CYS B 167 -0.757 4.932 3.311 1.00 0.88 C ATOM 2127 O CYS B 167 -1.512 4.230 3.983 1.00 0.93 O ATOM 2128 CB CYS B 167 -2.105 4.707 1.242 1.00 0.94 C ATOM 2129 SG CYS B 167 -2.549 6.106 0.169 1.00 1.56 S ATOM 0 H CYS B 167 -0.477 2.877 1.089 1.00 0.87 H new ATOM 0 HA CYS B 167 -0.202 5.665 1.395 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -2.194 3.783 0.671 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -2.824 4.647 2.059 1.00 0.94 H new ATOM 2134 N ALA B 168 -0.011 5.877 3.809 1.00 0.90 N ATOM 2135 CA ALA B 168 -0.034 6.144 5.208 1.00 0.95 C ATOM 2136 C ALA B 168 -1.168 7.101 5.418 1.00 0.96 C ATOM 2137 O ALA B 168 -1.752 7.179 6.497 1.00 1.04 O ATOM 2138 CB ALA B 168 1.296 6.702 5.677 1.00 0.96 C ATOM 0 H ALA B 168 0.616 6.470 3.265 1.00 0.90 H new ATOM 0 HA ALA B 168 -0.185 5.239 5.797 1.00 0.95 H new ATOM 0 HB1 ALA B 168 1.251 6.897 6.748 1.00 0.96 H new ATOM 0 HB2 ALA B 168 2.086 5.980 5.472 1.00 0.96 H new ATOM 0 HB3 ALA B 168 1.508 7.631 5.148 1.00 0.96 H new ATOM 2144 N ALA B 169 -1.371 7.946 4.410 1.00 0.90 N ATOM 2145 CA ALA B 169 -2.355 9.024 4.501 1.00 0.94 C ATOM 2146 C ALA B 169 -2.687 9.600 3.113 1.00 0.91 C ATOM 2147 O ALA B 169 -1.964 9.368 2.149 1.00 0.87 O ATOM 2148 CB ALA B 169 -1.808 10.118 5.382 1.00 0.98 C ATOM 0 H ALA B 169 -0.869 7.906 3.523 1.00 0.90 H new ATOM 0 HA ALA B 169 -3.273 8.618 4.926 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -2.537 10.925 5.454 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -1.609 9.719 6.377 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -0.882 10.502 4.953 1.00 0.98 H new ATOM 2154 N ALA B 170 -3.793 10.333 3.019 1.00 0.98 N ATOM 2155 CA ALA B 170 -4.253 10.937 1.754 1.00 1.00 C ATOM 2156 C ALA B 170 -3.137 11.463 0.832 1.00 1.04 C ATOM 2157 O ALA B 170 -2.315 12.285 1.232 1.00 1.25 O ATOM 2158 CB ALA B 170 -5.206 12.077 2.039 1.00 1.15 C ATOM 0 H ALA B 170 -4.402 10.530 3.813 1.00 0.98 H new ATOM 0 HA ALA B 170 -4.738 10.119 1.221 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -5.540 12.516 1.099 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -6.068 11.701 2.590 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -4.698 12.836 2.634 1.00 1.15 H new ATOM 2164 N GLY B 171 -3.171 11.008 -0.427 1.00 1.15 N ATOM 2165 CA GLY B 171 -2.234 11.440 -1.456 1.00 1.28 C ATOM 2166 C GLY B 171 -0.768 11.133 -1.188 1.00 1.22 C ATOM 2167 O GLY B 171 0.073 11.333 -2.063 1.00 1.29 O ATOM 0 H GLY B 171 -3.855 10.327 -0.756 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -2.517 10.972 -2.399 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -2.342 12.516 -1.590 1.00 1.28 H new ATOM 2171 N ILE B 172 -0.441 10.735 0.026 1.00 1.13 N ATOM 2172 CA ILE B 172 0.954 10.482 0.395 1.00 1.09 C ATOM 2173 C ILE B 172 1.211 9.005 0.707 1.00 1.02 C ATOM 2174 O ILE B 172 0.814 8.487 1.753 1.00 1.34 O ATOM 2175 CB ILE B 172 1.328 11.369 1.572 1.00 1.53 C ATOM 2176 CG1 ILE B 172 0.462 11.047 2.772 1.00 1.09 C ATOM 2177 CG2 ILE B 172 1.193 12.831 1.177 1.00 2.27 C ATOM 2178 CD1 ILE B 172 1.247 10.371 3.841 1.00 0.91 C ATOM 0 H ILE B 172 -1.113 10.578 0.777 1.00 1.13 H new ATOM 0 HA ILE B 172 1.587 10.727 -0.458 1.00 1.09 H new ATOM 0 HB ILE B 172 2.365 11.180 1.848 1.00 1.53 H new ATOM 0 HG12 ILE B 172 0.025 11.965 3.164 1.00 1.09 H new ATOM 0 HG13 ILE B 172 -0.365 10.406 2.465 1.00 1.09 H new ATOM 0 HG21 ILE B 172 1.462 13.463 2.023 1.00 2.27 H new ATOM 0 HG22 ILE B 172 1.857 13.044 0.339 1.00 2.27 H new ATOM 0 HG23 ILE B 172 0.163 13.035 0.885 1.00 2.27 H new ATOM 0 HD11 ILE B 172 0.596 10.154 4.688 1.00 0.91 H new ATOM 0 HD12 ILE B 172 1.662 9.440 3.454 1.00 0.91 H new ATOM 0 HD13 ILE B 172 2.058 11.023 4.165 1.00 0.91 H new ATOM 2190 N CYS B 173 1.891 8.340 -0.226 1.00 0.81 N ATOM 2191 CA CYS B 173 2.236 6.928 -0.092 1.00 1.04 C ATOM 2192 C CYS B 173 3.614 6.817 0.548 1.00 1.06 C ATOM 2193 O CYS B 173 4.621 7.123 -0.092 1.00 1.19 O ATOM 2194 CB CYS B 173 2.263 6.266 -1.478 1.00 1.17 C ATOM 2195 SG CYS B 173 1.078 4.899 -1.733 1.00 1.94 S ATOM 0 H CYS B 173 2.217 8.765 -1.094 1.00 0.81 H new ATOM 0 HA CYS B 173 1.494 6.426 0.529 1.00 1.04 H new ATOM 0 HB2 CYS B 173 2.071 7.032 -2.229 1.00 1.17 H new ATOM 0 HB3 CYS B 173 3.269 5.887 -1.659 1.00 1.17 H new ATOM 2200 N CYS B 174 3.671 6.413 1.813 1.00 0.97 N ATOM 2201 CA CYS B 174 4.955 6.319 2.492 1.00 0.99 C ATOM 2202 C CYS B 174 5.180 4.986 3.186 1.00 1.16 C ATOM 2203 O CYS B 174 4.275 4.167 3.342 1.00 1.35 O ATOM 2204 CB CYS B 174 5.121 7.437 3.528 1.00 1.12 C ATOM 2205 SG CYS B 174 3.830 8.717 3.494 1.00 1.26 S ATOM 0 H CYS B 174 2.862 6.151 2.377 1.00 0.97 H new ATOM 0 HA CYS B 174 5.698 6.418 1.701 1.00 0.99 H new ATOM 0 HB2 CYS B 174 5.142 6.990 4.522 1.00 1.12 H new ATOM 0 HB3 CYS B 174 6.089 7.914 3.373 1.00 1.12 H new ATOM 2210 N SER B 175 6.418 4.828 3.628 1.00 1.15 N ATOM 2211 CA SER B 175 6.880 3.659 4.356 1.00 1.38 C ATOM 2212 C SER B 175 7.604 4.166 5.601 1.00 1.29 C ATOM 2213 O SER B 175 7.689 5.377 5.797 1.00 1.12 O ATOM 2214 CB SER B 175 7.818 2.837 3.464 1.00 1.48 C ATOM 2215 OG SER B 175 7.084 2.065 2.530 1.00 2.00 O ATOM 0 H SER B 175 7.147 5.527 3.486 1.00 1.15 H new ATOM 0 HA SER B 175 6.052 3.011 4.644 1.00 1.38 H new ATOM 0 HB2 SER B 175 8.499 3.504 2.935 1.00 1.48 H new ATOM 0 HB3 SER B 175 8.431 2.181 4.082 1.00 1.48 H new ATOM 0 HG SER B 175 7.633 1.905 1.734 1.00 2.00 H new ATOM 2221 N PRO B 176 8.132 3.296 6.473 1.00 1.49 N ATOM 2222 CA PRO B 176 8.826 3.762 7.671 1.00 1.45 C ATOM 2223 C PRO B 176 10.223 4.297 7.360 1.00 1.20 C ATOM 2224 O PRO B 176 11.131 4.214 8.188 1.00 1.25 O ATOM 2225 CB PRO B 176 8.902 2.519 8.548 1.00 1.77 C ATOM 2226 CG PRO B 176 8.871 1.375 7.597 1.00 1.90 C ATOM 2227 CD PRO B 176 8.087 1.826 6.391 1.00 1.81 C ATOM 0 HA PRO B 176 8.307 4.595 8.146 1.00 1.45 H new ATOM 0 HB2 PRO B 176 9.814 2.512 9.145 1.00 1.77 H new ATOM 0 HB3 PRO B 176 8.065 2.476 9.245 1.00 1.77 H new ATOM 0 HG2 PRO B 176 9.882 1.082 7.313 1.00 1.90 H new ATOM 0 HG3 PRO B 176 8.404 0.504 8.057 1.00 1.90 H new ATOM 0 HD2 PRO B 176 8.533 1.463 5.465 1.00 1.81 H new ATOM 0 HD3 PRO B 176 7.062 1.455 6.418 1.00 1.81 H new ATOM 2235 N ASP B 177 10.378 4.856 6.159 1.00 1.01 N ATOM 2236 CA ASP B 177 11.644 5.427 5.722 1.00 0.92 C ATOM 2237 C ASP B 177 11.396 6.746 4.987 1.00 0.83 C ATOM 2238 O ASP B 177 11.926 7.789 5.373 1.00 0.90 O ATOM 2239 CB ASP B 177 12.390 4.441 4.820 1.00 1.18 C ATOM 2240 CG ASP B 177 13.302 3.521 5.607 1.00 1.96 C ATOM 2241 OD1 ASP B 177 14.309 4.014 6.159 1.00 2.51 O ATOM 2242 OD2 ASP B 177 13.009 2.309 5.676 1.00 2.72 O ATOM 0 H ASP B 177 9.631 4.924 5.468 1.00 1.01 H new ATOM 0 HA ASP B 177 12.263 5.625 6.597 1.00 0.92 H new ATOM 0 HB2 ASP B 177 11.668 3.844 4.262 1.00 1.18 H new ATOM 0 HB3 ASP B 177 12.979 4.995 4.089 1.00 1.18 H new ATOM 2247 N GLY B 178 10.584 6.693 3.930 1.00 0.89 N ATOM 2248 CA GLY B 178 10.277 7.891 3.175 1.00 0.87 C ATOM 2249 C GLY B 178 8.820 7.971 2.759 1.00 0.85 C ATOM 2250 O GLY B 178 8.023 7.090 3.080 1.00 0.99 O ATOM 0 H GLY B 178 10.137 5.843 3.587 1.00 0.89 H new ATOM 0 HA2 GLY B 178 10.527 8.766 3.775 1.00 0.87 H new ATOM 0 HA3 GLY B 178 10.906 7.925 2.285 1.00 0.87 H new ATOM 2254 N CYS B 179 8.478 9.030 2.030 1.00 0.78 N ATOM 2255 CA CYS B 179 7.113 9.237 1.555 1.00 0.79 C ATOM 2256 C CYS B 179 7.130 9.838 0.153 1.00 0.77 C ATOM 2257 O CYS B 179 8.145 10.388 -0.274 1.00 0.88 O ATOM 2258 CB CYS B 179 6.341 10.144 2.510 1.00 0.92 C ATOM 2259 SG CYS B 179 4.545 10.134 2.225 1.00 1.34 S ATOM 0 H CYS B 179 9.132 9.762 1.754 1.00 0.78 H new ATOM 0 HA CYS B 179 6.610 8.271 1.519 1.00 0.79 H new ATOM 0 HB2 CYS B 179 6.540 9.832 3.535 1.00 0.92 H new ATOM 0 HB3 CYS B 179 6.711 11.164 2.409 1.00 0.92 H new ATOM 2264 N HIS B 180 6.019 9.729 -0.584 1.00 0.70 N ATOM 2265 CA HIS B 180 5.992 10.260 -1.944 1.00 0.75 C ATOM 2266 C HIS B 180 4.603 10.726 -2.351 1.00 0.69 C ATOM 2267 O HIS B 180 3.618 10.018 -2.143 1.00 0.66 O ATOM 2268 CB HIS B 180 6.462 9.166 -2.910 1.00 0.89 C ATOM 2269 CG HIS B 180 7.427 9.638 -3.949 1.00 0.94 C ATOM 2270 ND1 HIS B 180 8.697 10.091 -3.837 1.00 1.60 N flip ATOM 2271 CD2 HIS B 180 7.127 9.676 -5.293 1.00 1.70 C flip ATOM 2272 CE1 HIS B 180 9.137 10.392 -5.103 1.00 2.03 C flip ATOM 2273 NE2 HIS B 180 8.171 10.131 -5.964 1.00 2.10 N flip ATOM 0 H HIS B 180 5.153 9.291 -0.271 1.00 0.70 H new ATOM 0 HA HIS B 180 6.653 11.126 -1.982 1.00 0.75 H new ATOM 0 HB2 HIS B 180 6.927 8.365 -2.335 1.00 0.89 H new ATOM 0 HB3 HIS B 180 5.592 8.737 -3.407 1.00 0.89 H new ATOM 0 HD2 HIS B 180 6.185 9.380 -5.731 1.00 1.70 H new ATOM 0 HE1 HIS B 180 10.114 10.779 -5.353 1.00 2.03 H new ATOM 0 HE2 HIS B 180 8.222 10.259 -6.975 1.00 2.10 H new ATOM 2282 N GLU B 181 4.531 11.907 -2.964 1.00 0.75 N ATOM 2283 CA GLU B 181 3.257 12.421 -3.432 1.00 0.77 C ATOM 2284 C GLU B 181 2.735 11.493 -4.505 1.00 0.73 C ATOM 2285 O GLU B 181 3.389 11.285 -5.526 1.00 0.94 O ATOM 2286 CB GLU B 181 3.412 13.829 -4.002 1.00 0.93 C ATOM 2287 CG GLU B 181 2.683 14.895 -3.204 1.00 1.69 C ATOM 2288 CD GLU B 181 1.337 15.242 -3.807 1.00 2.34 C ATOM 2289 OE1 GLU B 181 1.311 15.741 -4.952 1.00 2.69 O ATOM 2290 OE2 GLU B 181 0.307 15.008 -3.141 1.00 3.06 O ATOM 0 H GLU B 181 5.331 12.514 -3.144 1.00 0.75 H new ATOM 0 HA GLU B 181 2.560 12.472 -2.596 1.00 0.77 H new ATOM 0 HB2 GLU B 181 4.472 14.080 -4.043 1.00 0.93 H new ATOM 0 HB3 GLU B 181 3.042 13.839 -5.027 1.00 0.93 H new ATOM 0 HG2 GLU B 181 2.542 14.547 -2.181 1.00 1.69 H new ATOM 0 HG3 GLU B 181 3.299 15.793 -3.153 1.00 1.69 H new ATOM 2297 N ASP B 182 1.577 10.915 -4.267 1.00 0.77 N ATOM 2298 CA ASP B 182 1.007 9.994 -5.225 1.00 0.79 C ATOM 2299 C ASP B 182 -0.521 9.938 -5.090 1.00 0.97 C ATOM 2300 O ASP B 182 -1.045 9.938 -3.976 1.00 1.22 O ATOM 2301 CB ASP B 182 1.659 8.616 -5.022 1.00 0.90 C ATOM 2302 CG ASP B 182 0.874 7.476 -5.649 1.00 1.39 C ATOM 2303 OD1 ASP B 182 -0.304 7.292 -5.289 1.00 1.88 O ATOM 2304 OD2 ASP B 182 1.444 6.770 -6.506 1.00 2.06 O ATOM 0 H ASP B 182 1.017 11.065 -3.428 1.00 0.77 H new ATOM 0 HA ASP B 182 1.211 10.334 -6.240 1.00 0.79 H new ATOM 0 HB2 ASP B 182 2.663 8.632 -5.446 1.00 0.90 H new ATOM 0 HB3 ASP B 182 1.767 8.428 -3.954 1.00 0.90 H new ATOM 2309 N PRO B 183 -1.262 9.892 -6.220 1.00 1.15 N ATOM 2310 CA PRO B 183 -2.735 9.839 -6.211 1.00 1.41 C ATOM 2311 C PRO B 183 -3.283 8.510 -5.708 1.00 1.28 C ATOM 2312 O PRO B 183 -4.249 7.974 -6.250 1.00 1.41 O ATOM 2313 CB PRO B 183 -3.124 10.028 -7.678 1.00 1.79 C ATOM 2314 CG PRO B 183 -1.878 10.459 -8.381 1.00 1.91 C ATOM 2315 CD PRO B 183 -0.735 9.894 -7.590 1.00 1.41 C ATOM 0 HA PRO B 183 -3.143 10.594 -5.539 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -3.511 9.101 -8.102 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -3.909 10.777 -7.780 1.00 1.79 H new ATOM 0 HG2 PRO B 183 -1.862 10.090 -9.406 1.00 1.91 H new ATOM 0 HG3 PRO B 183 -1.816 11.546 -8.433 1.00 1.91 H new ATOM 0 HD2 PRO B 183 -0.469 8.891 -7.923 1.00 1.41 H new ATOM 0 HD3 PRO B 183 0.161 10.508 -7.678 1.00 1.41 H new ATOM 2323 N ALA B 184 -2.666 8.003 -4.666 1.00 1.13 N ATOM 2324 CA ALA B 184 -3.077 6.765 -4.045 1.00 1.18 C ATOM 2325 C ALA B 184 -4.325 7.001 -3.243 1.00 1.22 C ATOM 2326 O ALA B 184 -5.374 6.393 -3.453 1.00 1.56 O ATOM 2327 CB ALA B 184 -1.992 6.292 -3.108 1.00 1.21 C ATOM 0 H ALA B 184 -1.859 8.441 -4.222 1.00 1.13 H new ATOM 0 HA ALA B 184 -3.261 6.018 -4.817 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -2.299 5.358 -2.638 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -1.072 6.130 -3.669 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -1.821 7.046 -2.340 1.00 1.21 H new ATOM 2333 N CYS B 185 -4.158 7.910 -2.308 1.00 1.05 N ATOM 2334 CA CYS B 185 -5.194 8.307 -1.399 1.00 1.23 C ATOM 2335 C CYS B 185 -5.714 9.679 -1.798 1.00 1.50 C ATOM 2336 O CYS B 185 -5.300 10.693 -1.249 1.00 1.94 O ATOM 2337 CB CYS B 185 -4.608 8.282 0.020 1.00 1.19 C ATOM 2338 SG CYS B 185 -4.436 6.614 0.725 1.00 1.46 S ATOM 0 H CYS B 185 -3.276 8.401 -2.161 1.00 1.05 H new ATOM 0 HA CYS B 185 -6.045 7.627 -1.430 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -3.629 8.761 0.005 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -5.244 8.877 0.675 1.00 1.19 H new ATOM 2343 N ASP B 186 -6.588 9.704 -2.799 1.00 1.54 N ATOM 2344 CA ASP B 186 -7.137 10.950 -3.316 1.00 1.92 C ATOM 2345 C ASP B 186 -8.509 11.263 -2.727 1.00 1.82 C ATOM 2346 O ASP B 186 -9.538 10.901 -3.297 1.00 2.28 O ATOM 2347 CB ASP B 186 -7.238 10.903 -4.843 1.00 2.44 C ATOM 2348 CG ASP B 186 -6.347 9.846 -5.467 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -6.528 8.651 -5.147 1.00 3.61 O ATOM 2350 OD2 ASP B 186 -5.469 10.212 -6.275 1.00 3.49 O ATOM 0 H ASP B 186 -6.933 8.868 -3.271 1.00 1.54 H new ATOM 0 HA ASP B 186 -6.452 11.743 -3.017 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -8.273 10.711 -5.127 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -6.972 11.879 -5.249 1.00 2.44 H new ATOM 2355 N PRO B 187 -8.534 11.965 -1.588 1.00 1.73 N ATOM 2356 CA PRO B 187 -9.776 12.370 -0.918 1.00 2.05 C ATOM 2357 C PRO B 187 -10.513 13.373 -1.793 1.00 2.17 C ATOM 2358 O PRO B 187 -10.551 14.572 -1.525 1.00 2.31 O ATOM 2359 CB PRO B 187 -9.292 12.993 0.394 1.00 2.47 C ATOM 2360 CG PRO B 187 -7.875 12.539 0.523 1.00 2.58 C ATOM 2361 CD PRO B 187 -7.357 12.441 -0.875 1.00 1.99 C ATOM 0 HA PRO B 187 -10.476 11.554 -0.738 1.00 2.05 H new ATOM 0 HB2 PRO B 187 -9.359 14.081 0.366 1.00 2.47 H new ATOM 0 HB3 PRO B 187 -9.895 12.658 1.238 1.00 2.47 H new ATOM 0 HG2 PRO B 187 -7.289 13.246 1.110 1.00 2.58 H new ATOM 0 HG3 PRO B 187 -7.816 11.577 1.031 1.00 2.58 H new ATOM 0 HD2 PRO B 187 -7.010 13.403 -1.252 1.00 1.99 H new ATOM 0 HD3 PRO B 187 -6.520 11.747 -0.955 1.00 1.99 H new ATOM 2369 N GLU B 188 -11.128 12.809 -2.813 1.00 2.54 N ATOM 2370 CA GLU B 188 -11.955 13.544 -3.779 1.00 3.18 C ATOM 2371 C GLU B 188 -12.421 12.656 -4.936 1.00 3.47 C ATOM 2372 O GLU B 188 -13.099 13.133 -5.826 1.00 4.08 O ATOM 2373 CB GLU B 188 -11.095 14.659 -4.372 1.00 3.61 C ATOM 2374 CG GLU B 188 -10.022 14.159 -5.347 1.00 3.52 C ATOM 2375 CD GLU B 188 -9.450 15.262 -6.218 1.00 4.20 C ATOM 2376 OE1 GLU B 188 -10.131 15.675 -7.181 1.00 4.57 O ATOM 2377 OE2 GLU B 188 -8.321 15.716 -5.936 1.00 4.70 O ATOM 0 H GLU B 188 -11.073 11.809 -3.007 1.00 2.54 H new ATOM 0 HA GLU B 188 -12.836 13.920 -3.258 1.00 3.18 H new ATOM 0 HB2 GLU B 188 -11.741 15.368 -4.890 1.00 3.61 H new ATOM 0 HB3 GLU B 188 -10.611 15.203 -3.561 1.00 3.61 H new ATOM 0 HG2 GLU B 188 -9.214 13.694 -4.782 1.00 3.52 H new ATOM 0 HG3 GLU B 188 -10.451 13.386 -5.985 1.00 3.52 H new ATOM 2384 N ALA B 189 -12.267 11.365 -4.806 1.00 3.25 N ATOM 2385 CA ALA B 189 -12.755 10.434 -5.807 1.00 3.84 C ATOM 2386 C ALA B 189 -14.132 9.883 -5.505 1.00 4.73 C ATOM 2387 O ALA B 189 -14.243 8.682 -5.272 1.00 5.24 O ATOM 2388 CB ALA B 189 -11.723 9.327 -6.015 1.00 3.45 C ATOM 0 H ALA B 189 -11.804 10.924 -4.011 1.00 3.25 H new ATOM 0 HA ALA B 189 -12.881 10.987 -6.738 1.00 3.84 H new ATOM 0 HB1 ALA B 189 -12.087 8.626 -6.766 1.00 3.45 H new ATOM 0 HB2 ALA B 189 -10.783 9.764 -6.352 1.00 3.45 H new ATOM 0 HB3 ALA B 189 -11.561 8.799 -5.075 1.00 3.45 H new ATOM 2394 N ALA B 190 -15.179 10.706 -5.428 1.00 5.07 N ATOM 2395 CA ALA B 190 -16.485 10.147 -5.074 1.00 6.09 C ATOM 2396 C ALA B 190 -17.012 9.237 -6.173 1.00 6.88 C ATOM 2397 O ALA B 190 -16.398 9.127 -7.233 1.00 6.93 O ATOM 2398 CB ALA B 190 -17.477 11.264 -4.790 1.00 6.41 C ATOM 0 H ALA B 190 -15.156 11.712 -5.596 1.00 5.07 H new ATOM 0 HA ALA B 190 -16.361 9.547 -4.173 1.00 6.09 H new ATOM 0 HB1 ALA B 190 -18.444 10.834 -4.528 1.00 6.41 H new ATOM 0 HB2 ALA B 190 -17.113 11.871 -3.961 1.00 6.41 H new ATOM 0 HB3 ALA B 190 -17.586 11.888 -5.677 1.00 6.41 H new ATOM 2404 N PHE B 191 -18.174 8.628 -5.958 1.00 7.61 N ATOM 2405 CA PHE B 191 -18.774 7.777 -6.987 1.00 8.50 C ATOM 2406 C PHE B 191 -19.688 8.607 -7.888 1.00 9.34 C ATOM 2407 O PHE B 191 -20.897 8.374 -7.945 1.00 9.88 O ATOM 2408 CB PHE B 191 -19.574 6.635 -6.355 1.00 8.96 C ATOM 2409 CG PHE B 191 -18.732 5.680 -5.561 1.00 9.23 C ATOM 2410 CD1 PHE B 191 -17.791 4.879 -6.188 1.00 9.60 C ATOM 2411 CD2 PHE B 191 -18.879 5.589 -4.189 1.00 9.37 C ATOM 2412 CE1 PHE B 191 -17.011 4.004 -5.456 1.00 10.04 C ATOM 2413 CE2 PHE B 191 -18.102 4.717 -3.452 1.00 9.84 C ATOM 2414 CZ PHE B 191 -17.167 3.924 -4.086 1.00 10.14 C ATOM 0 H PHE B 191 -18.714 8.704 -5.096 1.00 7.61 H new ATOM 0 HA PHE B 191 -17.969 7.348 -7.583 1.00 8.50 H new ATOM 0 HB2 PHE B 191 -20.342 7.056 -5.706 1.00 8.96 H new ATOM 0 HB3 PHE B 191 -20.089 6.084 -7.142 1.00 8.96 H new ATOM 0 HD1 PHE B 191 -17.666 4.939 -7.259 1.00 9.60 H new ATOM 0 HD2 PHE B 191 -19.610 6.207 -3.688 1.00 9.37 H new ATOM 0 HE1 PHE B 191 -16.281 3.384 -5.954 1.00 10.04 H new ATOM 0 HE2 PHE B 191 -18.226 4.656 -2.381 1.00 9.84 H new ATOM 0 HZ PHE B 191 -16.558 3.242 -3.511 1.00 10.14 H new ATOM 2424 N SER B 192 -19.106 9.573 -8.595 1.00 9.55 N ATOM 2425 CA SER B 192 -19.874 10.432 -9.491 1.00 10.42 C ATOM 2426 C SER B 192 -19.925 9.854 -10.901 1.00 11.18 C ATOM 2427 O SER B 192 -21.044 9.679 -11.428 1.00 11.41 O ATOM 2428 CB SER B 192 -19.276 11.840 -9.522 1.00 10.44 C ATOM 2429 OG SER B 192 -17.875 11.797 -9.732 1.00 10.49 O ATOM 2430 OXT SER B 192 -18.845 9.582 -11.468 1.00 11.70 O ATOM 0 H SER B 192 -18.108 9.780 -8.565 1.00 9.55 H new ATOM 0 HA SER B 192 -20.893 10.487 -9.109 1.00 10.42 H new ATOM 0 HB2 SER B 192 -19.748 12.421 -10.315 1.00 10.44 H new ATOM 0 HB3 SER B 192 -19.490 12.350 -8.583 1.00 10.44 H new ATOM 0 HG SER B 192 -17.660 11.076 -10.360 1.00 10.49 H new TER 2436 SER B 192