USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 946 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 44 THR OG1 : rot 144:sc= 1.03 USER MOD Set 1.2: B 47 SER OG : rot -72:sc= 0.296! USER MOD Set 2.1: B 23 ASN : amide:sc= -2.41 K(o=-3.4,f=-1.6) USER MOD Set 2.2: B 45 LYS NZ :NH3+ -167:sc= -0.983 (180deg=-0.0401!) USER MOD Set 3.1: A 44 THR OG1 : rot 144:sc= 1.1 USER MOD Set 3.2: A 47 SER OG : rot -78:sc= 0.37! USER MOD Set 4.1: A 23 ASN : amide:sc= -2.49 K(o=-3.4,f=-1.5) USER MOD Set 4.2: A 45 LYS NZ :NH3+ -165:sc= -0.889 (180deg=0.0416!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 173:sc= -0.264 USER MOD Single : A 14 SER OG : rot -83:sc= 2.05 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.251! USER MOD Single : A 19 LYS NZ :NH3+ 140:sc= -3.57! (180deg=-6.32!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 10:sc= -2.06 USER MOD Single : A 32 SER OG : rot -120:sc= -0.0833 USER MOD Single : A 33 SER OG : rot 180:sc= -0.139 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.657 K(o=-0.66,f=-0.0052) USER MOD Single : A 43 GLN : amide:sc= -1.93! C(o=-1.9!,f=-4.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.65! K(o=-2.7!,f=-0.006) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0201 K(o=-0.02,f=-1.3!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 166:sc= -0.315 USER MOD Single : B 14 SER OG : rot -85:sc= 2.07 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 52:sc= 0.325! USER MOD Single : B 19 LYS NZ :NH3+ -100:sc= -3.31! (180deg=-6.17!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 24:sc= -2.07 USER MOD Single : B 32 SER OG : rot -120:sc= -0.0846 USER MOD Single : B 33 SER OG : rot 180:sc= -0.13 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= -0.627 K(o=-0.63,f=-0.0019) USER MOD Single : B 43 GLN : amide:sc= -1.94! C(o=-1.9!,f=-4.7!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -2.67! K(o=-2.7!,f=-0.007) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= -0.0213 K(o=-0.021,f=-1.3!) USER MOD Single : B 62 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -10.664 9.715 -3.481 1.00 0.44 N ATOM 52 CA SER A 5 -11.319 10.114 -2.200 1.00 0.30 C ATOM 53 C SER A 5 -10.418 9.717 -1.018 1.00 0.27 C ATOM 54 O SER A 5 -9.933 10.558 -0.288 1.00 0.30 O ATOM 55 CB SER A 5 -12.697 9.439 -2.099 1.00 0.49 C ATOM 56 OG SER A 5 -13.688 10.438 -1.901 1.00 1.52 O ATOM 0 HA SER A 5 -11.463 11.194 -2.173 1.00 0.30 H new ATOM 0 HB2 SER A 5 -12.907 8.875 -3.008 1.00 0.49 H new ATOM 0 HB3 SER A 5 -12.708 8.728 -1.273 1.00 0.49 H new ATOM 0 HG SER A 5 -14.570 10.016 -1.837 1.00 1.52 H new ATOM 62 N ASP A 6 -10.185 8.443 -0.828 1.00 0.24 N ATOM 63 CA ASP A 6 -9.309 8.003 0.303 1.00 0.23 C ATOM 64 C ASP A 6 -8.757 6.596 0.016 1.00 0.21 C ATOM 65 O ASP A 6 -9.131 5.648 0.678 1.00 0.20 O ATOM 66 CB ASP A 6 -10.123 7.974 1.608 1.00 0.25 C ATOM 67 CG ASP A 6 -9.172 8.000 2.808 1.00 1.26 C ATOM 68 OD1 ASP A 6 -7.986 7.803 2.603 1.00 2.03 O ATOM 69 OD2 ASP A 6 -9.647 8.218 3.910 1.00 2.00 O ATOM 0 H ASP A 6 -10.561 7.690 -1.404 1.00 0.24 H new ATOM 0 HA ASP A 6 -8.481 8.704 0.406 1.00 0.23 H new ATOM 0 HB2 ASP A 6 -10.797 8.830 1.647 1.00 0.25 H new ATOM 0 HB3 ASP A 6 -10.743 7.078 1.642 1.00 0.25 H new ATOM 74 N PRO A 7 -7.884 6.489 -0.964 1.00 0.22 N ATOM 75 CA PRO A 7 -7.295 5.187 -1.329 1.00 0.22 C ATOM 76 C PRO A 7 -6.432 4.654 -0.164 1.00 0.20 C ATOM 77 O PRO A 7 -6.120 5.394 0.747 1.00 0.20 O ATOM 78 CB PRO A 7 -6.432 5.478 -2.582 1.00 0.25 C ATOM 79 CG PRO A 7 -6.525 7.007 -2.869 1.00 0.27 C ATOM 80 CD PRO A 7 -7.424 7.634 -1.780 1.00 0.26 C ATOM 0 HA PRO A 7 -8.048 4.425 -1.531 1.00 0.22 H new ATOM 0 HB2 PRO A 7 -5.397 5.182 -2.412 1.00 0.25 H new ATOM 0 HB3 PRO A 7 -6.791 4.905 -3.437 1.00 0.25 H new ATOM 0 HG2 PRO A 7 -5.534 7.460 -2.855 1.00 0.27 H new ATOM 0 HG3 PRO A 7 -6.943 7.186 -3.860 1.00 0.27 H new ATOM 0 HD2 PRO A 7 -6.871 8.353 -1.176 1.00 0.26 H new ATOM 0 HD3 PRO A 7 -8.265 8.169 -2.221 1.00 0.26 H new ATOM 88 N PRO A 8 -6.060 3.390 -0.230 1.00 0.21 N ATOM 89 CA PRO A 8 -5.222 2.774 0.820 1.00 0.22 C ATOM 90 C PRO A 8 -3.860 3.482 0.871 1.00 0.22 C ATOM 91 O PRO A 8 -3.714 4.602 0.423 1.00 0.22 O ATOM 92 CB PRO A 8 -5.070 1.295 0.386 1.00 0.24 C ATOM 93 CG PRO A 8 -5.701 1.159 -1.028 1.00 0.26 C ATOM 94 CD PRO A 8 -6.436 2.482 -1.335 1.00 0.24 C ATOM 0 HA PRO A 8 -5.657 2.854 1.816 1.00 0.22 H new ATOM 0 HB2 PRO A 8 -4.019 1.007 0.367 1.00 0.24 H new ATOM 0 HB3 PRO A 8 -5.569 0.634 1.094 1.00 0.24 H new ATOM 0 HG2 PRO A 8 -4.931 0.965 -1.775 1.00 0.26 H new ATOM 0 HG3 PRO A 8 -6.394 0.318 -1.060 1.00 0.26 H new ATOM 0 HD2 PRO A 8 -6.133 2.888 -2.300 1.00 0.24 H new ATOM 0 HD3 PRO A 8 -7.515 2.334 -1.376 1.00 0.24 H new ATOM 102 N THR A 9 -2.862 2.833 1.410 1.00 0.23 N ATOM 103 CA THR A 9 -1.511 3.463 1.484 1.00 0.24 C ATOM 104 C THR A 9 -0.442 2.373 1.493 1.00 0.24 C ATOM 105 O THR A 9 -0.426 1.506 2.345 1.00 0.25 O ATOM 106 CB THR A 9 -1.404 4.294 2.762 1.00 0.25 C ATOM 107 OG1 THR A 9 -2.539 5.141 2.869 1.00 0.26 O ATOM 108 CG2 THR A 9 -0.131 5.142 2.715 1.00 0.29 C ATOM 0 H THR A 9 -2.924 1.894 1.802 1.00 0.23 H new ATOM 0 HA THR A 9 -1.364 4.109 0.619 1.00 0.24 H new ATOM 0 HB THR A 9 -1.363 3.631 3.627 1.00 0.25 H new ATOM 0 HG1 THR A 9 -2.531 5.591 3.740 1.00 0.26 H new ATOM 0 HG21 THR A 9 -0.055 5.735 3.627 1.00 0.29 H new ATOM 0 HG22 THR A 9 0.738 4.489 2.633 1.00 0.29 H new ATOM 0 HG23 THR A 9 -0.168 5.807 1.852 1.00 0.29 H new ATOM 116 N ALA A 10 0.452 2.414 0.547 1.00 0.23 N ATOM 117 CA ALA A 10 1.525 1.387 0.485 1.00 0.23 C ATOM 118 C ALA A 10 2.473 1.559 1.672 1.00 0.22 C ATOM 119 O ALA A 10 3.523 2.161 1.555 1.00 0.27 O ATOM 120 CB ALA A 10 2.308 1.560 -0.815 1.00 0.23 C ATOM 0 H ALA A 10 0.485 3.119 -0.190 1.00 0.23 H new ATOM 0 HA ALA A 10 1.079 0.393 0.521 1.00 0.23 H new ATOM 0 HB1 ALA A 10 3.097 0.810 -0.867 1.00 0.23 H new ATOM 0 HB2 ALA A 10 1.635 1.439 -1.664 1.00 0.23 H new ATOM 0 HB3 ALA A 10 2.751 2.555 -0.843 1.00 0.23 H new ATOM 126 N CYS A 11 2.112 1.025 2.810 1.00 0.25 N ATOM 127 CA CYS A 11 2.985 1.136 4.019 1.00 0.25 C ATOM 128 C CYS A 11 3.588 -0.239 4.311 1.00 0.25 C ATOM 129 O CYS A 11 2.908 -1.244 4.278 1.00 0.26 O ATOM 130 CB CYS A 11 2.143 1.592 5.214 1.00 0.25 C ATOM 131 SG CYS A 11 1.189 3.061 4.753 1.00 0.33 S ATOM 0 H CYS A 11 1.242 0.512 2.956 1.00 0.25 H new ATOM 0 HA CYS A 11 3.779 1.862 3.844 1.00 0.25 H new ATOM 0 HB2 CYS A 11 1.472 0.792 5.526 1.00 0.25 H new ATOM 0 HB3 CYS A 11 2.788 1.816 6.063 1.00 0.25 H new ATOM 136 N CYS A 12 4.862 -0.293 4.584 1.00 0.24 N ATOM 137 CA CYS A 12 5.503 -1.608 4.866 1.00 0.24 C ATOM 138 C CYS A 12 5.050 -2.117 6.234 1.00 0.24 C ATOM 139 O CYS A 12 4.919 -1.361 7.177 1.00 0.27 O ATOM 140 CB CYS A 12 7.025 -1.449 4.859 1.00 0.24 C ATOM 141 SG CYS A 12 7.575 -0.953 3.207 1.00 0.24 S ATOM 0 H CYS A 12 5.485 0.513 4.624 1.00 0.24 H new ATOM 0 HA CYS A 12 5.210 -2.324 4.098 1.00 0.24 H new ATOM 0 HB2 CYS A 12 7.326 -0.702 5.593 1.00 0.24 H new ATOM 0 HB3 CYS A 12 7.500 -2.387 5.145 1.00 0.24 H new ATOM 146 N PHE A 13 4.821 -3.399 6.350 1.00 0.25 N ATOM 147 CA PHE A 13 4.386 -3.985 7.655 1.00 0.27 C ATOM 148 C PHE A 13 5.589 -4.682 8.298 1.00 0.24 C ATOM 149 O PHE A 13 5.597 -4.986 9.474 1.00 0.26 O ATOM 150 CB PHE A 13 3.269 -5.006 7.408 1.00 0.30 C ATOM 151 CG PHE A 13 3.834 -6.205 6.685 1.00 0.31 C ATOM 152 CD1 PHE A 13 4.114 -6.126 5.309 1.00 0.31 C ATOM 153 CD2 PHE A 13 4.096 -7.394 7.391 1.00 0.35 C ATOM 154 CE1 PHE A 13 4.653 -7.238 4.637 1.00 0.34 C ATOM 155 CE2 PHE A 13 4.635 -8.506 6.721 1.00 0.37 C ATOM 156 CZ PHE A 13 4.914 -8.428 5.342 1.00 0.37 C ATOM 0 H PHE A 13 4.917 -4.072 5.590 1.00 0.25 H new ATOM 0 HA PHE A 13 4.012 -3.202 8.315 1.00 0.27 H new ATOM 0 HB2 PHE A 13 2.827 -5.314 8.356 1.00 0.30 H new ATOM 0 HB3 PHE A 13 2.472 -4.554 6.817 1.00 0.30 H new ATOM 0 HD1 PHE A 13 3.915 -5.212 4.769 1.00 0.31 H new ATOM 0 HD2 PHE A 13 3.883 -7.452 8.448 1.00 0.35 H new ATOM 0 HE1 PHE A 13 4.867 -7.179 3.580 1.00 0.34 H new ATOM 0 HE2 PHE A 13 4.835 -9.419 7.262 1.00 0.37 H new ATOM 0 HZ PHE A 13 5.328 -9.281 4.826 1.00 0.37 H new ATOM 166 N SER A 14 6.605 -4.931 7.518 1.00 0.21 N ATOM 167 CA SER A 14 7.822 -5.604 8.048 1.00 0.20 C ATOM 168 C SER A 14 9.009 -5.249 7.151 1.00 0.18 C ATOM 169 O SER A 14 8.999 -4.243 6.469 1.00 0.17 O ATOM 170 CB SER A 14 7.613 -7.119 8.046 1.00 0.20 C ATOM 171 OG SER A 14 7.400 -7.560 6.712 1.00 0.25 O ATOM 0 H SER A 14 6.643 -4.694 6.527 1.00 0.21 H new ATOM 0 HA SER A 14 8.015 -5.273 9.068 1.00 0.20 H new ATOM 0 HB2 SER A 14 8.483 -7.619 8.472 1.00 0.20 H new ATOM 0 HB3 SER A 14 6.758 -7.381 8.669 1.00 0.20 H new ATOM 0 HG SER A 14 6.457 -7.438 6.474 1.00 0.25 H new ATOM 177 N TYR A 15 10.036 -6.058 7.141 1.00 0.19 N ATOM 178 CA TYR A 15 11.219 -5.747 6.282 1.00 0.20 C ATOM 179 C TYR A 15 11.965 -7.040 5.949 1.00 0.24 C ATOM 180 O TYR A 15 11.843 -8.033 6.636 1.00 0.29 O ATOM 181 CB TYR A 15 12.163 -4.796 7.032 1.00 0.22 C ATOM 182 CG TYR A 15 11.360 -3.766 7.790 1.00 0.21 C ATOM 183 CD1 TYR A 15 10.932 -2.591 7.145 1.00 0.21 C ATOM 184 CD2 TYR A 15 11.038 -3.984 9.144 1.00 0.25 C ATOM 185 CE1 TYR A 15 10.183 -1.632 7.854 1.00 0.23 C ATOM 186 CE2 TYR A 15 10.289 -3.025 9.853 1.00 0.28 C ATOM 187 CZ TYR A 15 9.861 -1.850 9.207 1.00 0.27 C ATOM 188 OH TYR A 15 9.127 -0.909 9.901 1.00 0.32 O ATOM 0 H TYR A 15 10.108 -6.916 7.687 1.00 0.19 H new ATOM 0 HA TYR A 15 10.880 -5.274 5.360 1.00 0.20 H new ATOM 0 HB2 TYR A 15 12.790 -5.361 7.722 1.00 0.22 H new ATOM 0 HB3 TYR A 15 12.831 -4.302 6.327 1.00 0.22 H new ATOM 0 HD1 TYR A 15 11.178 -2.425 6.107 1.00 0.21 H new ATOM 0 HD2 TYR A 15 11.366 -4.887 9.638 1.00 0.25 H new ATOM 0 HE1 TYR A 15 9.856 -0.729 7.360 1.00 0.23 H new ATOM 0 HE2 TYR A 15 10.043 -3.191 10.891 1.00 0.28 H new ATOM 0 HH TYR A 15 8.991 -1.214 10.822 1.00 0.32 H new ATOM 198 N THR A 16 12.746 -7.029 4.903 1.00 0.22 N ATOM 199 CA THR A 16 13.510 -8.253 4.539 1.00 0.28 C ATOM 200 C THR A 16 14.407 -8.637 5.721 1.00 0.32 C ATOM 201 O THR A 16 14.191 -8.202 6.834 1.00 0.38 O ATOM 202 CB THR A 16 14.352 -7.980 3.285 1.00 0.28 C ATOM 203 OG1 THR A 16 15.195 -9.092 3.022 1.00 0.39 O ATOM 204 CG2 THR A 16 15.206 -6.728 3.491 1.00 0.27 C ATOM 0 H THR A 16 12.887 -6.228 4.288 1.00 0.22 H new ATOM 0 HA THR A 16 12.829 -9.076 4.321 1.00 0.28 H new ATOM 0 HB THR A 16 13.685 -7.823 2.438 1.00 0.28 H new ATOM 0 HG1 THR A 16 15.730 -8.915 2.220 1.00 0.39 H new ATOM 0 HG21 THR A 16 15.800 -6.542 2.596 1.00 0.27 H new ATOM 0 HG22 THR A 16 14.558 -5.873 3.681 1.00 0.27 H new ATOM 0 HG23 THR A 16 15.870 -6.876 4.343 1.00 0.27 H new ATOM 212 N ALA A 17 15.408 -9.448 5.500 1.00 0.36 N ATOM 213 CA ALA A 17 16.306 -9.854 6.625 1.00 0.42 C ATOM 214 C ALA A 17 17.736 -9.996 6.106 1.00 0.45 C ATOM 215 O ALA A 17 18.582 -10.592 6.742 1.00 0.63 O ATOM 216 CB ALA A 17 15.833 -11.195 7.189 1.00 0.50 C ATOM 0 H ALA A 17 15.644 -9.847 4.591 1.00 0.36 H new ATOM 0 HA ALA A 17 16.277 -9.097 7.409 1.00 0.42 H new ATOM 0 HB1 ALA A 17 16.485 -11.495 8.009 1.00 0.50 H new ATOM 0 HB2 ALA A 17 14.811 -11.096 7.555 1.00 0.50 H new ATOM 0 HB3 ALA A 17 15.865 -11.951 6.405 1.00 0.50 H new ATOM 222 N ARG A 18 18.014 -9.448 4.953 1.00 0.47 N ATOM 223 CA ARG A 18 19.392 -9.542 4.384 1.00 0.48 C ATOM 224 C ARG A 18 19.723 -8.241 3.652 1.00 0.41 C ATOM 225 O ARG A 18 18.949 -7.755 2.851 1.00 0.37 O ATOM 226 CB ARG A 18 19.456 -10.712 3.395 1.00 0.53 C ATOM 227 CG ARG A 18 19.503 -12.044 4.161 1.00 0.70 C ATOM 228 CD ARG A 18 20.833 -12.183 4.941 1.00 1.15 C ATOM 229 NE ARG A 18 21.409 -13.553 4.736 1.00 1.96 N ATOM 230 CZ ARG A 18 20.670 -14.627 4.845 1.00 2.64 C ATOM 231 NH1 ARG A 18 19.428 -14.538 5.231 1.00 2.84 N ATOM 232 NH2 ARG A 18 21.189 -15.798 4.594 1.00 3.63 N ATOM 0 H ARG A 18 17.344 -8.937 4.378 1.00 0.47 H new ATOM 0 HA ARG A 18 20.110 -9.705 5.187 1.00 0.48 H new ATOM 0 HB2 ARG A 18 18.587 -10.691 2.737 1.00 0.53 H new ATOM 0 HB3 ARG A 18 20.338 -10.616 2.761 1.00 0.53 H new ATOM 0 HG2 ARG A 18 18.663 -12.101 4.853 1.00 0.70 H new ATOM 0 HG3 ARG A 18 19.397 -12.874 3.463 1.00 0.70 H new ATOM 0 HD2 ARG A 18 21.542 -11.427 4.604 1.00 1.15 H new ATOM 0 HD3 ARG A 18 20.661 -12.007 6.003 1.00 1.15 H new ATOM 0 HE ARG A 18 22.398 -13.649 4.507 1.00 1.96 H new ATOM 0 HH11 ARG A 18 19.026 -13.627 5.450 1.00 2.84 H new ATOM 0 HH12 ARG A 18 18.858 -15.380 5.314 1.00 2.84 H new ATOM 0 HH21 ARG A 18 22.167 -15.873 4.314 1.00 3.63 H new ATOM 0 HH22 ARG A 18 20.617 -16.638 4.678 1.00 3.63 H new ATOM 246 N LYS A 19 20.872 -7.678 3.909 1.00 0.40 N ATOM 247 CA LYS A 19 21.250 -6.416 3.216 1.00 0.35 C ATOM 248 C LYS A 19 21.343 -6.702 1.715 1.00 0.31 C ATOM 249 O LYS A 19 22.036 -7.602 1.285 1.00 0.33 O ATOM 250 CB LYS A 19 22.606 -5.928 3.764 1.00 0.38 C ATOM 251 CG LYS A 19 23.150 -4.737 2.947 1.00 0.40 C ATOM 252 CD LYS A 19 24.625 -4.495 3.297 1.00 0.62 C ATOM 253 CE LYS A 19 24.812 -4.443 4.816 1.00 0.97 C ATOM 254 NZ LYS A 19 24.839 -5.830 5.361 1.00 1.79 N ATOM 0 H LYS A 19 21.563 -8.037 4.567 1.00 0.40 H new ATOM 0 HA LYS A 19 20.506 -5.638 3.389 1.00 0.35 H new ATOM 0 HB2 LYS A 19 22.493 -5.634 4.807 1.00 0.38 H new ATOM 0 HB3 LYS A 19 23.325 -6.746 3.739 1.00 0.38 H new ATOM 0 HG2 LYS A 19 23.048 -4.939 1.881 1.00 0.40 H new ATOM 0 HG3 LYS A 19 22.565 -3.842 3.159 1.00 0.40 H new ATOM 0 HD2 LYS A 19 25.240 -5.290 2.876 1.00 0.62 H new ATOM 0 HD3 LYS A 19 24.963 -3.560 2.850 1.00 0.62 H new ATOM 0 HE2 LYS A 19 25.740 -3.926 5.061 1.00 0.97 H new ATOM 0 HE3 LYS A 19 24.001 -3.877 5.274 1.00 0.97 H new ATOM 0 HZ1 LYS A 19 25.563 -5.897 6.105 1.00 1.79 H new ATOM 0 HZ2 LYS A 19 23.908 -6.064 5.762 1.00 1.79 H new ATOM 0 HZ3 LYS A 19 25.065 -6.499 4.597 1.00 1.79 H new ATOM 268 N LEU A 20 20.648 -5.940 0.917 1.00 0.27 N ATOM 269 CA LEU A 20 20.694 -6.164 -0.554 1.00 0.27 C ATOM 270 C LEU A 20 22.054 -5.673 -1.103 1.00 0.27 C ATOM 271 O LEU A 20 22.337 -4.496 -0.999 1.00 0.27 O ATOM 272 CB LEU A 20 19.587 -5.344 -1.219 1.00 0.24 C ATOM 273 CG LEU A 20 18.249 -5.565 -0.508 1.00 0.23 C ATOM 274 CD1 LEU A 20 17.135 -4.925 -1.339 1.00 0.22 C ATOM 275 CD2 LEU A 20 17.971 -7.065 -0.360 1.00 0.27 C ATOM 0 H LEU A 20 20.050 -5.172 1.221 1.00 0.27 H new ATOM 0 HA LEU A 20 20.562 -7.225 -0.764 1.00 0.27 H new ATOM 0 HB2 LEU A 20 19.847 -4.286 -1.195 1.00 0.24 H new ATOM 0 HB3 LEU A 20 19.498 -5.627 -2.268 1.00 0.24 H new ATOM 0 HG LEU A 20 18.288 -5.112 0.483 1.00 0.23 H new ATOM 0 HD11 LEU A 20 16.177 -5.077 -0.842 1.00 0.22 H new ATOM 0 HD12 LEU A 20 17.326 -3.857 -1.442 1.00 0.22 H new ATOM 0 HD13 LEU A 20 17.108 -5.385 -2.327 1.00 0.22 H new ATOM 0 HD21 LEU A 20 17.017 -7.210 0.147 1.00 0.27 H new ATOM 0 HD22 LEU A 20 17.932 -7.527 -1.347 1.00 0.27 H new ATOM 0 HD23 LEU A 20 18.767 -7.526 0.225 1.00 0.27 H new ATOM 287 N PRO A 21 22.865 -6.543 -1.684 1.00 0.31 N ATOM 288 CA PRO A 21 24.163 -6.105 -2.235 1.00 0.34 C ATOM 289 C PRO A 21 23.947 -4.953 -3.219 1.00 0.30 C ATOM 290 O PRO A 21 22.956 -4.903 -3.916 1.00 0.29 O ATOM 291 CB PRO A 21 24.732 -7.348 -2.953 1.00 0.39 C ATOM 292 CG PRO A 21 23.842 -8.557 -2.550 1.00 0.42 C ATOM 293 CD PRO A 21 22.590 -7.991 -1.846 1.00 0.35 C ATOM 0 HA PRO A 21 24.845 -5.740 -1.467 1.00 0.34 H new ATOM 0 HB2 PRO A 21 24.723 -7.206 -4.034 1.00 0.39 H new ATOM 0 HB3 PRO A 21 25.769 -7.519 -2.663 1.00 0.39 H new ATOM 0 HG2 PRO A 21 23.560 -9.136 -3.429 1.00 0.42 H new ATOM 0 HG3 PRO A 21 24.385 -9.230 -1.886 1.00 0.42 H new ATOM 0 HD2 PRO A 21 21.692 -8.158 -2.441 1.00 0.35 H new ATOM 0 HD3 PRO A 21 22.427 -8.473 -0.882 1.00 0.35 H new ATOM 301 N ARG A 22 24.874 -4.038 -3.295 1.00 0.31 N ATOM 302 CA ARG A 22 24.721 -2.911 -4.255 1.00 0.30 C ATOM 303 C ARG A 22 24.383 -3.493 -5.633 1.00 0.31 C ATOM 304 O ARG A 22 23.628 -2.927 -6.397 1.00 0.31 O ATOM 305 CB ARG A 22 26.040 -2.117 -4.317 1.00 0.33 C ATOM 306 CG ARG A 22 25.768 -0.654 -4.700 1.00 0.69 C ATOM 307 CD ARG A 22 25.108 -0.578 -6.085 1.00 1.24 C ATOM 308 NE ARG A 22 25.438 0.731 -6.716 1.00 1.34 N ATOM 309 CZ ARG A 22 25.243 0.907 -7.994 1.00 2.07 C ATOM 310 NH1 ARG A 22 24.759 -0.063 -8.720 1.00 2.89 N ATOM 311 NH2 ARG A 22 25.533 2.054 -8.546 1.00 2.44 N ATOM 0 H ARG A 22 25.727 -4.023 -2.736 1.00 0.31 H new ATOM 0 HA ARG A 22 23.923 -2.240 -3.938 1.00 0.30 H new ATOM 0 HB2 ARG A 22 26.543 -2.159 -3.351 1.00 0.33 H new ATOM 0 HB3 ARG A 22 26.711 -2.571 -5.046 1.00 0.33 H new ATOM 0 HG2 ARG A 22 25.121 -0.191 -3.955 1.00 0.69 H new ATOM 0 HG3 ARG A 22 26.702 -0.092 -4.704 1.00 0.69 H new ATOM 0 HD2 ARG A 22 25.459 -1.397 -6.713 1.00 1.24 H new ATOM 0 HD3 ARG A 22 24.028 -0.688 -5.992 1.00 1.24 H new ATOM 0 HE ARG A 22 25.816 1.490 -6.149 1.00 1.34 H new ATOM 0 HH11 ARG A 22 24.533 -0.959 -8.288 1.00 2.89 H new ATOM 0 HH12 ARG A 22 24.607 0.075 -9.719 1.00 2.89 H new ATOM 0 HH21 ARG A 22 25.912 2.812 -7.978 1.00 2.44 H new ATOM 0 HH22 ARG A 22 25.381 2.192 -9.545 1.00 2.44 H new ATOM 325 N ASN A 23 24.938 -4.635 -5.944 1.00 0.34 N ATOM 326 CA ASN A 23 24.656 -5.273 -7.260 1.00 0.37 C ATOM 327 C ASN A 23 23.222 -5.809 -7.276 1.00 0.37 C ATOM 328 O ASN A 23 22.858 -6.605 -8.118 1.00 0.40 O ATOM 329 CB ASN A 23 25.633 -6.429 -7.485 1.00 0.42 C ATOM 330 CG ASN A 23 25.516 -6.925 -8.927 1.00 1.47 C ATOM 331 OD1 ASN A 23 25.421 -8.112 -9.168 1.00 2.16 O ATOM 332 ND2 ASN A 23 25.519 -6.058 -9.904 1.00 2.38 N ATOM 0 H ASN A 23 25.576 -5.153 -5.340 1.00 0.34 H new ATOM 0 HA ASN A 23 24.775 -4.534 -8.052 1.00 0.37 H new ATOM 0 HB2 ASN A 23 26.653 -6.101 -7.284 1.00 0.42 H new ATOM 0 HB3 ASN A 23 25.417 -7.242 -6.791 1.00 0.42 H new ATOM 0 HD21 ASN A 23 25.442 -6.377 -10.870 1.00 2.38 H new ATOM 0 HD22 ASN A 23 25.599 -5.062 -9.701 1.00 2.38 H new ATOM 339 N PHE A 24 22.407 -5.384 -6.345 1.00 0.33 N ATOM 340 CA PHE A 24 20.992 -5.872 -6.293 1.00 0.33 C ATOM 341 C PHE A 24 20.075 -4.700 -5.933 1.00 0.30 C ATOM 342 O PHE A 24 19.013 -4.877 -5.372 1.00 0.28 O ATOM 343 CB PHE A 24 20.883 -6.970 -5.220 1.00 0.33 C ATOM 344 CG PHE A 24 19.672 -7.847 -5.472 1.00 0.35 C ATOM 345 CD1 PHE A 24 19.573 -8.587 -6.667 1.00 0.39 C ATOM 346 CD2 PHE A 24 18.648 -7.937 -4.505 1.00 0.35 C ATOM 347 CE1 PHE A 24 18.457 -9.411 -6.895 1.00 0.41 C ATOM 348 CE2 PHE A 24 17.531 -8.762 -4.736 1.00 0.37 C ATOM 349 CZ PHE A 24 17.436 -9.498 -5.930 1.00 0.41 C ATOM 0 H PHE A 24 22.660 -4.718 -5.615 1.00 0.33 H new ATOM 0 HA PHE A 24 20.696 -6.279 -7.260 1.00 0.33 H new ATOM 0 HB2 PHE A 24 21.787 -7.580 -5.223 1.00 0.33 H new ATOM 0 HB3 PHE A 24 20.809 -6.514 -4.233 1.00 0.33 H new ATOM 0 HD1 PHE A 24 20.355 -8.521 -7.409 1.00 0.39 H new ATOM 0 HD2 PHE A 24 18.721 -7.373 -3.587 1.00 0.35 H new ATOM 0 HE1 PHE A 24 18.383 -9.978 -7.811 1.00 0.41 H new ATOM 0 HE2 PHE A 24 16.747 -8.830 -3.996 1.00 0.37 H new ATOM 0 HZ PHE A 24 16.579 -10.131 -6.107 1.00 0.41 H new ATOM 359 N VAL A 25 20.484 -3.500 -6.257 1.00 0.30 N ATOM 360 CA VAL A 25 19.647 -2.304 -5.943 1.00 0.28 C ATOM 361 C VAL A 25 19.895 -1.229 -7.003 1.00 0.30 C ATOM 362 O VAL A 25 20.747 -0.377 -6.848 1.00 0.31 O ATOM 363 CB VAL A 25 20.033 -1.751 -4.569 1.00 0.24 C ATOM 364 CG1 VAL A 25 19.101 -0.595 -4.205 1.00 0.22 C ATOM 365 CG2 VAL A 25 19.903 -2.850 -3.515 1.00 0.23 C ATOM 0 H VAL A 25 21.366 -3.297 -6.728 1.00 0.30 H new ATOM 0 HA VAL A 25 18.595 -2.588 -5.937 1.00 0.28 H new ATOM 0 HB VAL A 25 21.064 -1.398 -4.602 1.00 0.24 H new ATOM 0 HG11 VAL A 25 19.375 -0.201 -3.227 1.00 0.22 H new ATOM 0 HG12 VAL A 25 19.190 0.194 -4.952 1.00 0.22 H new ATOM 0 HG13 VAL A 25 18.072 -0.953 -4.176 1.00 0.22 H new ATOM 0 HG21 VAL A 25 20.179 -2.452 -2.538 1.00 0.23 H new ATOM 0 HG22 VAL A 25 18.873 -3.205 -3.485 1.00 0.23 H new ATOM 0 HG23 VAL A 25 20.565 -3.678 -3.769 1.00 0.23 H new ATOM 375 N VAL A 26 19.160 -1.263 -8.082 1.00 0.33 N ATOM 376 CA VAL A 26 19.356 -0.247 -9.152 1.00 0.36 C ATOM 377 C VAL A 26 18.599 1.028 -8.790 1.00 0.35 C ATOM 378 O VAL A 26 18.790 2.065 -9.393 1.00 0.37 O ATOM 379 CB VAL A 26 18.822 -0.800 -10.472 1.00 0.41 C ATOM 380 CG1 VAL A 26 19.618 -2.044 -10.863 1.00 0.78 C ATOM 381 CG2 VAL A 26 17.345 -1.169 -10.313 1.00 0.61 C ATOM 0 H VAL A 26 18.431 -1.952 -8.267 1.00 0.33 H new ATOM 0 HA VAL A 26 20.417 -0.020 -9.252 1.00 0.36 H new ATOM 0 HB VAL A 26 18.925 -0.043 -11.249 1.00 0.41 H new ATOM 0 HG11 VAL A 26 19.237 -2.439 -11.805 1.00 0.78 H new ATOM 0 HG12 VAL A 26 20.670 -1.782 -10.978 1.00 0.78 H new ATOM 0 HG13 VAL A 26 19.516 -2.801 -10.085 1.00 0.78 H new ATOM 0 HG21 VAL A 26 16.965 -1.563 -11.255 1.00 0.61 H new ATOM 0 HG22 VAL A 26 17.241 -1.925 -9.535 1.00 0.61 H new ATOM 0 HG23 VAL A 26 16.776 -0.282 -10.035 1.00 0.61 H new ATOM 391 N ASP A 27 17.741 0.963 -7.812 1.00 0.32 N ATOM 392 CA ASP A 27 16.978 2.178 -7.423 1.00 0.31 C ATOM 393 C ASP A 27 16.235 1.908 -6.120 1.00 0.27 C ATOM 394 O ASP A 27 16.423 0.888 -5.486 1.00 0.25 O ATOM 395 CB ASP A 27 15.970 2.521 -8.523 1.00 0.34 C ATOM 396 CG ASP A 27 15.413 3.926 -8.286 1.00 0.35 C ATOM 397 OD1 ASP A 27 16.208 4.838 -8.129 1.00 1.09 O ATOM 398 OD2 ASP A 27 14.201 4.066 -8.266 1.00 1.13 O ATOM 0 H ASP A 27 17.536 0.125 -7.268 1.00 0.32 H new ATOM 0 HA ASP A 27 17.664 3.014 -7.287 1.00 0.31 H new ATOM 0 HB2 ASP A 27 16.450 2.469 -9.500 1.00 0.34 H new ATOM 0 HB3 ASP A 27 15.159 1.793 -8.527 1.00 0.34 H new ATOM 403 N TYR A 28 15.389 2.811 -5.710 1.00 0.26 N ATOM 404 CA TYR A 28 14.634 2.597 -4.447 1.00 0.23 C ATOM 405 C TYR A 28 13.348 3.414 -4.468 1.00 0.25 C ATOM 406 O TYR A 28 13.009 4.051 -5.446 1.00 0.29 O ATOM 407 CB TYR A 28 15.493 2.996 -3.241 1.00 0.19 C ATOM 408 CG TYR A 28 15.617 4.505 -3.141 1.00 0.21 C ATOM 409 CD1 TYR A 28 16.245 5.237 -4.168 1.00 0.25 C ATOM 410 CD2 TYR A 28 15.114 5.178 -2.008 1.00 0.19 C ATOM 411 CE1 TYR A 28 16.368 6.635 -4.065 1.00 0.26 C ATOM 412 CE2 TYR A 28 15.238 6.574 -1.902 1.00 0.22 C ATOM 413 CZ TYR A 28 15.865 7.304 -2.931 1.00 0.25 C ATOM 414 OH TYR A 28 15.987 8.676 -2.829 1.00 0.28 O ATOM 0 H TYR A 28 15.189 3.686 -6.195 1.00 0.26 H new ATOM 0 HA TYR A 28 14.382 1.540 -4.361 1.00 0.23 H new ATOM 0 HB2 TYR A 28 15.049 2.602 -2.327 1.00 0.19 H new ATOM 0 HB3 TYR A 28 16.484 2.551 -3.332 1.00 0.19 H new ATOM 0 HD1 TYR A 28 16.633 4.724 -5.036 1.00 0.25 H new ATOM 0 HD2 TYR A 28 14.632 4.619 -1.220 1.00 0.19 H new ATOM 0 HE1 TYR A 28 16.847 7.195 -4.854 1.00 0.26 H new ATOM 0 HE2 TYR A 28 14.853 7.086 -1.033 1.00 0.22 H new ATOM 0 HH TYR A 28 15.587 8.978 -1.987 1.00 0.28 H new ATOM 424 N TYR A 29 12.623 3.379 -3.394 1.00 0.23 N ATOM 425 CA TYR A 29 11.343 4.124 -3.324 1.00 0.25 C ATOM 426 C TYR A 29 10.956 4.288 -1.850 1.00 0.22 C ATOM 427 O TYR A 29 11.040 3.360 -1.078 1.00 0.23 O ATOM 428 CB TYR A 29 10.280 3.315 -4.091 1.00 0.29 C ATOM 429 CG TYR A 29 8.886 3.723 -3.668 1.00 0.31 C ATOM 430 CD1 TYR A 29 8.474 5.057 -3.821 1.00 0.36 C ATOM 431 CD2 TYR A 29 8.006 2.769 -3.120 1.00 0.35 C ATOM 432 CE1 TYR A 29 7.178 5.443 -3.426 1.00 0.39 C ATOM 433 CE2 TYR A 29 6.710 3.152 -2.726 1.00 0.38 C ATOM 434 CZ TYR A 29 6.296 4.491 -2.878 1.00 0.36 C ATOM 435 OH TYR A 29 5.027 4.869 -2.491 1.00 0.39 O ATOM 0 H TYR A 29 12.865 2.860 -2.550 1.00 0.23 H new ATOM 0 HA TYR A 29 11.428 5.114 -3.772 1.00 0.25 H new ATOM 0 HB2 TYR A 29 10.400 3.472 -5.163 1.00 0.29 H new ATOM 0 HB3 TYR A 29 10.424 2.250 -3.907 1.00 0.29 H new ATOM 0 HD1 TYR A 29 9.150 5.787 -4.241 1.00 0.36 H new ATOM 0 HD2 TYR A 29 8.326 1.744 -3.002 1.00 0.35 H new ATOM 0 HE1 TYR A 29 6.861 6.469 -3.543 1.00 0.39 H new ATOM 0 HE2 TYR A 29 6.034 2.421 -2.308 1.00 0.38 H new ATOM 0 HH TYR A 29 4.548 4.092 -2.135 1.00 0.39 H new ATOM 445 N GLU A 30 10.535 5.455 -1.446 1.00 0.22 N ATOM 446 CA GLU A 30 10.148 5.649 -0.014 1.00 0.20 C ATOM 447 C GLU A 30 8.649 5.383 0.142 1.00 0.21 C ATOM 448 O GLU A 30 7.887 5.486 -0.798 1.00 0.24 O ATOM 449 CB GLU A 30 10.468 7.085 0.413 1.00 0.22 C ATOM 450 CG GLU A 30 11.969 7.221 0.680 1.00 0.25 C ATOM 451 CD GLU A 30 12.280 8.648 1.135 1.00 0.69 C ATOM 452 OE1 GLU A 30 11.486 9.528 0.844 1.00 1.43 O ATOM 453 OE2 GLU A 30 13.306 8.838 1.767 1.00 1.35 O ATOM 0 H GLU A 30 10.442 6.280 -2.039 1.00 0.22 H new ATOM 0 HA GLU A 30 10.707 4.957 0.616 1.00 0.20 H new ATOM 0 HB2 GLU A 30 10.163 7.783 -0.366 1.00 0.22 H new ATOM 0 HB3 GLU A 30 9.904 7.342 1.310 1.00 0.22 H new ATOM 0 HG2 GLU A 30 12.279 6.509 1.445 1.00 0.25 H new ATOM 0 HG3 GLU A 30 12.532 6.985 -0.223 1.00 0.25 H new ATOM 460 N THR A 31 8.224 5.031 1.323 1.00 0.19 N ATOM 461 CA THR A 31 6.778 4.741 1.552 1.00 0.21 C ATOM 462 C THR A 31 5.970 6.039 1.538 1.00 0.25 C ATOM 463 O THR A 31 6.432 7.072 1.094 1.00 0.27 O ATOM 464 CB THR A 31 6.616 4.077 2.918 1.00 0.20 C ATOM 465 OG1 THR A 31 7.270 4.873 3.890 1.00 0.21 O ATOM 466 CG2 THR A 31 7.232 2.677 2.882 1.00 0.20 C ATOM 0 H THR A 31 8.819 4.931 2.146 1.00 0.19 H new ATOM 0 HA THR A 31 6.417 4.083 0.761 1.00 0.21 H new ATOM 0 HB THR A 31 5.559 3.988 3.170 1.00 0.20 H new ATOM 0 HG1 THR A 31 7.531 5.729 3.490 1.00 0.21 H new ATOM 0 HG21 THR A 31 7.116 2.203 3.857 1.00 0.20 H new ATOM 0 HG22 THR A 31 6.727 2.077 2.125 1.00 0.20 H new ATOM 0 HG23 THR A 31 8.292 2.752 2.639 1.00 0.20 H new ATOM 474 N SER A 32 4.764 5.983 2.033 1.00 0.27 N ATOM 475 CA SER A 32 3.902 7.196 2.069 1.00 0.31 C ATOM 476 C SER A 32 4.186 7.982 3.347 1.00 0.33 C ATOM 477 O SER A 32 5.304 8.056 3.815 1.00 0.33 O ATOM 478 CB SER A 32 2.437 6.768 2.061 1.00 0.33 C ATOM 479 OG SER A 32 2.209 5.888 0.968 1.00 1.27 O ATOM 0 H SER A 32 4.336 5.141 2.417 1.00 0.27 H new ATOM 0 HA SER A 32 4.111 7.820 1.201 1.00 0.31 H new ATOM 0 HB2 SER A 32 2.186 6.273 2.999 1.00 0.33 H new ATOM 0 HB3 SER A 32 1.791 7.642 1.979 1.00 0.33 H new ATOM 0 HG SER A 32 1.531 6.273 0.374 1.00 1.27 H new ATOM 485 N SER A 33 3.169 8.566 3.912 1.00 0.36 N ATOM 486 CA SER A 33 3.339 9.356 5.167 1.00 0.40 C ATOM 487 C SER A 33 2.100 9.158 6.035 1.00 0.40 C ATOM 488 O SER A 33 2.174 9.092 7.246 1.00 0.42 O ATOM 489 CB SER A 33 3.469 10.833 4.815 1.00 0.46 C ATOM 490 OG SER A 33 2.174 11.378 4.595 1.00 0.48 O ATOM 0 H SER A 33 2.214 8.531 3.555 1.00 0.36 H new ATOM 0 HA SER A 33 4.231 9.027 5.700 1.00 0.40 H new ATOM 0 HB2 SER A 33 3.970 11.369 5.622 1.00 0.46 H new ATOM 0 HB3 SER A 33 4.084 10.954 3.923 1.00 0.46 H new ATOM 0 HG SER A 33 2.253 12.329 4.370 1.00 0.48 H new ATOM 496 N LEU A 34 0.961 9.068 5.404 1.00 0.39 N ATOM 497 CA LEU A 34 -0.322 8.874 6.141 1.00 0.39 C ATOM 498 C LEU A 34 -0.124 7.897 7.301 1.00 0.37 C ATOM 499 O LEU A 34 -0.381 8.211 8.446 1.00 0.40 O ATOM 500 CB LEU A 34 -1.376 8.306 5.185 1.00 0.36 C ATOM 501 CG LEU A 34 -1.283 8.998 3.824 1.00 0.39 C ATOM 502 CD1 LEU A 34 -2.453 8.551 2.943 1.00 0.40 C ATOM 503 CD2 LEU A 34 -1.332 10.518 4.015 1.00 0.45 C ATOM 0 H LEU A 34 0.863 9.122 4.390 1.00 0.39 H new ATOM 0 HA LEU A 34 -0.651 9.836 6.534 1.00 0.39 H new ATOM 0 HB2 LEU A 34 -1.229 7.233 5.066 1.00 0.36 H new ATOM 0 HB3 LEU A 34 -2.372 8.446 5.605 1.00 0.36 H new ATOM 0 HG LEU A 34 -0.343 8.727 3.343 1.00 0.39 H new ATOM 0 HD11 LEU A 34 -2.387 9.044 1.973 1.00 0.40 H new ATOM 0 HD12 LEU A 34 -2.412 7.471 2.805 1.00 0.40 H new ATOM 0 HD13 LEU A 34 -3.394 8.820 3.423 1.00 0.40 H new ATOM 0 HD21 LEU A 34 -1.266 11.009 3.044 1.00 0.45 H new ATOM 0 HD22 LEU A 34 -2.269 10.794 4.498 1.00 0.45 H new ATOM 0 HD23 LEU A 34 -0.496 10.833 4.639 1.00 0.45 H new ATOM 515 N CYS A 35 0.327 6.712 7.008 1.00 0.33 N ATOM 516 CA CYS A 35 0.538 5.711 8.087 1.00 0.34 C ATOM 517 C CYS A 35 1.733 6.140 8.947 1.00 0.39 C ATOM 518 O CYS A 35 2.785 6.472 8.446 1.00 0.38 O ATOM 519 CB CYS A 35 0.798 4.333 7.469 1.00 0.32 C ATOM 520 SG CYS A 35 1.849 4.504 6.004 1.00 0.39 S ATOM 0 H CYS A 35 0.559 6.393 6.067 1.00 0.33 H new ATOM 0 HA CYS A 35 -0.352 5.652 8.714 1.00 0.34 H new ATOM 0 HB2 CYS A 35 1.279 3.682 8.199 1.00 0.32 H new ATOM 0 HB3 CYS A 35 -0.147 3.863 7.197 1.00 0.32 H new ATOM 525 N SER A 36 1.561 6.162 10.239 1.00 0.44 N ATOM 526 CA SER A 36 2.670 6.586 11.145 1.00 0.51 C ATOM 527 C SER A 36 3.840 5.590 11.108 1.00 0.51 C ATOM 528 O SER A 36 4.521 5.407 12.097 1.00 0.58 O ATOM 529 CB SER A 36 2.139 6.681 12.575 1.00 0.59 C ATOM 530 OG SER A 36 1.533 5.447 12.934 1.00 1.41 O ATOM 0 H SER A 36 0.695 5.903 10.711 1.00 0.44 H new ATOM 0 HA SER A 36 3.036 7.555 10.805 1.00 0.51 H new ATOM 0 HB2 SER A 36 2.952 6.913 13.262 1.00 0.59 H new ATOM 0 HB3 SER A 36 1.414 7.491 12.653 1.00 0.59 H new ATOM 0 HG SER A 36 1.193 5.504 13.851 1.00 1.41 H new ATOM 536 N GLN A 37 4.096 4.937 10.000 1.00 0.45 N ATOM 537 CA GLN A 37 5.238 3.966 9.973 1.00 0.47 C ATOM 538 C GLN A 37 5.785 3.799 8.546 1.00 0.36 C ATOM 539 O GLN A 37 5.686 2.728 7.982 1.00 0.35 O ATOM 540 CB GLN A 37 4.754 2.609 10.491 1.00 0.55 C ATOM 541 CG GLN A 37 3.412 2.260 9.843 1.00 0.78 C ATOM 542 CD GLN A 37 2.974 0.866 10.296 1.00 0.79 C ATOM 543 OE1 GLN A 37 1.814 0.644 10.581 1.00 1.24 O ATOM 544 NE2 GLN A 37 3.859 -0.090 10.375 1.00 1.47 N ATOM 0 H GLN A 37 3.575 5.030 9.128 1.00 0.45 H new ATOM 0 HA GLN A 37 6.038 4.351 10.606 1.00 0.47 H new ATOM 0 HB2 GLN A 37 5.490 1.838 10.264 1.00 0.55 H new ATOM 0 HB3 GLN A 37 4.649 2.639 11.575 1.00 0.55 H new ATOM 0 HG2 GLN A 37 2.659 2.998 10.121 1.00 0.78 H new ATOM 0 HG3 GLN A 37 3.502 2.290 8.757 1.00 0.78 H new ATOM 0 HE21 GLN A 37 4.833 0.096 10.136 1.00 1.47 H new ATOM 0 HE22 GLN A 37 3.577 -1.023 10.676 1.00 1.47 H new ATOM 553 N PRO A 38 6.370 4.845 8.006 1.00 0.34 N ATOM 554 CA PRO A 38 6.955 4.789 6.652 1.00 0.26 C ATOM 555 C PRO A 38 8.218 3.913 6.683 1.00 0.25 C ATOM 556 O PRO A 38 8.626 3.425 7.718 1.00 0.27 O ATOM 557 CB PRO A 38 7.306 6.257 6.316 1.00 0.33 C ATOM 558 CG PRO A 38 7.127 7.087 7.622 1.00 0.43 C ATOM 559 CD PRO A 38 6.489 6.158 8.679 1.00 0.43 C ATOM 0 HA PRO A 38 6.283 4.359 5.910 1.00 0.26 H new ATOM 0 HB2 PRO A 38 8.330 6.333 5.950 1.00 0.33 H new ATOM 0 HB3 PRO A 38 6.656 6.637 5.527 1.00 0.33 H new ATOM 0 HG2 PRO A 38 8.088 7.463 7.972 1.00 0.43 H new ATOM 0 HG3 PRO A 38 6.492 7.955 7.441 1.00 0.43 H new ATOM 0 HD2 PRO A 38 7.110 6.090 9.572 1.00 0.43 H new ATOM 0 HD3 PRO A 38 5.515 6.530 8.996 1.00 0.43 H new ATOM 567 N ALA A 39 8.838 3.725 5.554 1.00 0.23 N ATOM 568 CA ALA A 39 10.072 2.903 5.490 1.00 0.22 C ATOM 569 C ALA A 39 10.714 3.118 4.123 1.00 0.19 C ATOM 570 O ALA A 39 10.119 3.707 3.243 1.00 0.22 O ATOM 571 CB ALA A 39 9.719 1.424 5.660 1.00 0.23 C ATOM 0 H ALA A 39 8.536 4.113 4.660 1.00 0.23 H new ATOM 0 HA ALA A 39 10.759 3.194 6.285 1.00 0.22 H new ATOM 0 HB1 ALA A 39 10.628 0.825 5.612 1.00 0.23 H new ATOM 0 HB2 ALA A 39 9.236 1.274 6.626 1.00 0.23 H new ATOM 0 HB3 ALA A 39 9.041 1.118 4.864 1.00 0.23 H new ATOM 577 N VAL A 40 11.910 2.632 3.920 1.00 0.15 N ATOM 578 CA VAL A 40 12.567 2.797 2.589 1.00 0.13 C ATOM 579 C VAL A 40 12.370 1.500 1.810 1.00 0.13 C ATOM 580 O VAL A 40 12.452 0.417 2.354 1.00 0.18 O ATOM 581 CB VAL A 40 14.063 3.083 2.776 1.00 0.12 C ATOM 582 CG1 VAL A 40 14.812 2.847 1.458 1.00 0.12 C ATOM 583 CG2 VAL A 40 14.243 4.543 3.193 1.00 0.16 C ATOM 0 H VAL A 40 12.460 2.129 4.616 1.00 0.15 H new ATOM 0 HA VAL A 40 12.128 3.634 2.046 1.00 0.13 H new ATOM 0 HB VAL A 40 14.462 2.418 3.542 1.00 0.12 H new ATOM 0 HG11 VAL A 40 15.873 3.053 1.601 1.00 0.12 H new ATOM 0 HG12 VAL A 40 14.682 1.811 1.146 1.00 0.12 H new ATOM 0 HG13 VAL A 40 14.414 3.510 0.690 1.00 0.12 H new ATOM 0 HG21 VAL A 40 15.304 4.755 3.328 1.00 0.16 H new ATOM 0 HG22 VAL A 40 13.839 5.195 2.419 1.00 0.16 H new ATOM 0 HG23 VAL A 40 13.715 4.722 4.130 1.00 0.16 H new ATOM 593 N VAL A 41 12.094 1.611 0.541 1.00 0.15 N ATOM 594 CA VAL A 41 11.864 0.401 -0.309 1.00 0.16 C ATOM 595 C VAL A 41 12.953 0.316 -1.381 1.00 0.16 C ATOM 596 O VAL A 41 13.060 1.169 -2.234 1.00 0.18 O ATOM 597 CB VAL A 41 10.489 0.525 -0.970 1.00 0.21 C ATOM 598 CG1 VAL A 41 10.035 -0.832 -1.492 1.00 0.25 C ATOM 599 CG2 VAL A 41 9.479 1.029 0.064 1.00 0.23 C ATOM 0 H VAL A 41 12.016 2.500 0.046 1.00 0.15 H new ATOM 0 HA VAL A 41 11.900 -0.501 0.301 1.00 0.16 H new ATOM 0 HB VAL A 41 10.554 1.225 -1.803 1.00 0.21 H new ATOM 0 HG11 VAL A 41 9.056 -0.733 -1.960 1.00 0.25 H new ATOM 0 HG12 VAL A 41 10.753 -1.198 -2.226 1.00 0.25 H new ATOM 0 HG13 VAL A 41 9.971 -1.538 -0.664 1.00 0.25 H new ATOM 0 HG21 VAL A 41 8.497 1.120 -0.401 1.00 0.23 H new ATOM 0 HG22 VAL A 41 9.424 0.324 0.893 1.00 0.23 H new ATOM 0 HG23 VAL A 41 9.795 2.003 0.437 1.00 0.23 H new ATOM 609 N PHE A 42 13.767 -0.704 -1.344 1.00 0.15 N ATOM 610 CA PHE A 42 14.853 -0.825 -2.363 1.00 0.17 C ATOM 611 C PHE A 42 14.332 -1.574 -3.591 1.00 0.21 C ATOM 612 O PHE A 42 13.686 -2.597 -3.482 1.00 0.23 O ATOM 613 CB PHE A 42 16.031 -1.606 -1.771 1.00 0.16 C ATOM 614 CG PHE A 42 16.798 -0.734 -0.800 1.00 0.14 C ATOM 615 CD1 PHE A 42 17.460 0.422 -1.260 1.00 0.14 C ATOM 616 CD2 PHE A 42 16.860 -1.083 0.564 1.00 0.13 C ATOM 617 CE1 PHE A 42 18.181 1.227 -0.358 1.00 0.14 C ATOM 618 CE2 PHE A 42 17.581 -0.278 1.464 1.00 0.14 C ATOM 619 CZ PHE A 42 18.242 0.877 1.003 1.00 0.14 C ATOM 0 H PHE A 42 13.729 -1.456 -0.656 1.00 0.15 H new ATOM 0 HA PHE A 42 15.178 0.174 -2.652 1.00 0.17 H new ATOM 0 HB2 PHE A 42 15.667 -2.498 -1.261 1.00 0.16 H new ATOM 0 HB3 PHE A 42 16.692 -1.943 -2.570 1.00 0.16 H new ATOM 0 HD1 PHE A 42 17.414 0.690 -2.305 1.00 0.14 H new ATOM 0 HD2 PHE A 42 16.354 -1.969 0.918 1.00 0.13 H new ATOM 0 HE1 PHE A 42 18.687 2.113 -0.711 1.00 0.14 H new ATOM 0 HE2 PHE A 42 17.628 -0.546 2.509 1.00 0.14 H new ATOM 0 HZ PHE A 42 18.796 1.494 1.695 1.00 0.14 H new ATOM 629 N GLN A 43 14.634 -1.079 -4.763 1.00 0.24 N ATOM 630 CA GLN A 43 14.190 -1.763 -6.013 1.00 0.28 C ATOM 631 C GLN A 43 15.355 -2.626 -6.502 1.00 0.30 C ATOM 632 O GLN A 43 16.445 -2.127 -6.713 1.00 0.30 O ATOM 633 CB GLN A 43 13.828 -0.707 -7.058 1.00 0.32 C ATOM 634 CG GLN A 43 12.602 0.078 -6.587 1.00 0.32 C ATOM 635 CD GLN A 43 12.414 1.312 -7.472 1.00 0.58 C ATOM 636 OE1 GLN A 43 12.251 2.410 -6.978 1.00 1.29 O ATOM 637 NE2 GLN A 43 12.428 1.176 -8.770 1.00 1.31 N ATOM 0 H GLN A 43 15.172 -0.225 -4.908 1.00 0.24 H new ATOM 0 HA GLN A 43 13.314 -2.387 -5.837 1.00 0.28 H new ATOM 0 HB2 GLN A 43 14.669 -0.031 -7.213 1.00 0.32 H new ATOM 0 HB3 GLN A 43 13.622 -1.184 -8.016 1.00 0.32 H new ATOM 0 HG2 GLN A 43 11.714 -0.553 -6.631 1.00 0.32 H new ATOM 0 HG3 GLN A 43 12.727 0.379 -5.547 1.00 0.32 H new ATOM 0 HE21 GLN A 43 12.565 0.254 -9.185 1.00 1.31 H new ATOM 0 HE22 GLN A 43 12.302 1.991 -9.370 1.00 1.31 H new ATOM 646 N THR A 44 15.163 -3.927 -6.636 1.00 0.32 N ATOM 647 CA THR A 44 16.313 -4.810 -7.049 1.00 0.34 C ATOM 648 C THR A 44 16.276 -5.152 -8.538 1.00 0.39 C ATOM 649 O THR A 44 15.719 -4.437 -9.348 1.00 0.41 O ATOM 650 CB THR A 44 16.261 -6.107 -6.246 1.00 0.34 C ATOM 651 OG1 THR A 44 15.332 -6.993 -6.848 1.00 0.38 O ATOM 652 CG2 THR A 44 15.818 -5.791 -4.819 1.00 0.29 C ATOM 0 H THR A 44 14.277 -4.407 -6.480 1.00 0.32 H new ATOM 0 HA THR A 44 17.235 -4.262 -6.853 1.00 0.34 H new ATOM 0 HB THR A 44 17.246 -6.574 -6.228 1.00 0.34 H new ATOM 0 HG1 THR A 44 15.663 -7.913 -6.775 1.00 0.38 H new ATOM 0 HG21 THR A 44 15.778 -6.712 -4.238 1.00 0.29 H new ATOM 0 HG22 THR A 44 16.529 -5.104 -4.361 1.00 0.29 H new ATOM 0 HG23 THR A 44 14.830 -5.331 -4.838 1.00 0.29 H new ATOM 660 N LYS A 45 16.903 -6.252 -8.894 1.00 0.43 N ATOM 661 CA LYS A 45 16.968 -6.690 -10.325 1.00 0.48 C ATOM 662 C LYS A 45 16.232 -8.024 -10.509 1.00 0.51 C ATOM 663 O LYS A 45 15.787 -8.342 -11.594 1.00 0.56 O ATOM 664 CB LYS A 45 18.438 -6.884 -10.718 1.00 0.50 C ATOM 665 CG LYS A 45 19.282 -5.714 -10.207 1.00 0.46 C ATOM 666 CD LYS A 45 20.744 -5.937 -10.606 1.00 0.49 C ATOM 667 CE LYS A 45 21.570 -4.693 -10.272 1.00 0.54 C ATOM 668 NZ LYS A 45 23.015 -5.054 -10.233 1.00 1.55 N ATOM 0 H LYS A 45 17.380 -6.873 -8.240 1.00 0.43 H new ATOM 0 HA LYS A 45 16.498 -5.931 -10.950 1.00 0.48 H new ATOM 0 HB2 LYS A 45 18.812 -7.820 -10.303 1.00 0.50 H new ATOM 0 HB3 LYS A 45 18.525 -6.958 -11.802 1.00 0.50 H new ATOM 0 HG2 LYS A 45 18.917 -4.776 -10.626 1.00 0.46 H new ATOM 0 HG3 LYS A 45 19.196 -5.634 -9.123 1.00 0.46 H new ATOM 0 HD2 LYS A 45 21.146 -6.803 -10.080 1.00 0.49 H new ATOM 0 HD3 LYS A 45 20.810 -6.153 -11.672 1.00 0.49 H new ATOM 0 HE2 LYS A 45 21.398 -3.917 -11.018 1.00 0.54 H new ATOM 0 HE3 LYS A 45 21.260 -4.284 -9.310 1.00 0.54 H new ATOM 0 HZ1 LYS A 45 23.550 -4.294 -9.766 1.00 1.55 H new ATOM 0 HZ2 LYS A 45 23.137 -5.940 -9.702 1.00 1.55 H new ATOM 0 HZ3 LYS A 45 23.368 -5.180 -11.203 1.00 1.55 H new ATOM 682 N ARG A 46 16.111 -8.812 -9.463 1.00 0.50 N ATOM 683 CA ARG A 46 15.413 -10.141 -9.574 1.00 0.54 C ATOM 684 C ARG A 46 14.206 -10.142 -8.636 1.00 0.49 C ATOM 685 O ARG A 46 13.883 -11.125 -8.006 1.00 0.48 O ATOM 686 CB ARG A 46 16.397 -11.264 -9.187 1.00 0.59 C ATOM 687 CG ARG A 46 15.931 -12.646 -9.730 1.00 0.72 C ATOM 688 CD ARG A 46 15.021 -13.388 -8.721 1.00 0.92 C ATOM 689 NE ARG A 46 15.364 -14.847 -8.719 1.00 1.48 N ATOM 690 CZ ARG A 46 15.494 -15.515 -9.835 1.00 2.13 C ATOM 691 NH1 ARG A 46 15.166 -14.975 -10.975 1.00 2.62 N ATOM 692 NH2 ARG A 46 15.906 -16.754 -9.802 1.00 2.82 N ATOM 0 H ARG A 46 16.467 -8.592 -8.533 1.00 0.50 H new ATOM 0 HA ARG A 46 15.073 -10.309 -10.596 1.00 0.54 H new ATOM 0 HB2 ARG A 46 17.387 -11.033 -9.580 1.00 0.59 H new ATOM 0 HB3 ARG A 46 16.488 -11.311 -8.102 1.00 0.59 H new ATOM 0 HG2 ARG A 46 15.393 -12.505 -10.667 1.00 0.72 H new ATOM 0 HG3 ARG A 46 16.803 -13.261 -9.952 1.00 0.72 H new ATOM 0 HD2 ARG A 46 15.152 -12.971 -7.722 1.00 0.92 H new ATOM 0 HD3 ARG A 46 13.974 -13.250 -8.990 1.00 0.92 H new ATOM 0 HE ARG A 46 15.499 -15.328 -7.830 1.00 1.48 H new ATOM 0 HH11 ARG A 46 14.804 -14.022 -11.002 1.00 2.62 H new ATOM 0 HH12 ARG A 46 15.272 -15.506 -11.840 1.00 2.62 H new ATOM 0 HH21 ARG A 46 16.124 -17.195 -8.909 1.00 2.82 H new ATOM 0 HH22 ARG A 46 16.009 -17.280 -10.670 1.00 2.82 H new ATOM 706 N SER A 47 13.530 -9.036 -8.559 1.00 0.46 N ATOM 707 CA SER A 47 12.334 -8.935 -7.696 1.00 0.42 C ATOM 708 C SER A 47 11.578 -7.686 -8.125 1.00 0.42 C ATOM 709 O SER A 47 11.242 -7.520 -9.281 1.00 0.46 O ATOM 710 CB SER A 47 12.750 -8.831 -6.221 1.00 0.38 C ATOM 711 OG SER A 47 13.266 -7.535 -5.960 1.00 1.07 O ATOM 0 H SER A 47 13.762 -8.183 -9.068 1.00 0.46 H new ATOM 0 HA SER A 47 11.705 -9.820 -7.798 1.00 0.42 H new ATOM 0 HB2 SER A 47 11.893 -9.028 -5.577 1.00 0.38 H new ATOM 0 HB3 SER A 47 13.502 -9.586 -5.991 1.00 0.38 H new ATOM 0 HG SER A 47 14.186 -7.476 -6.294 1.00 1.07 H new ATOM 717 N LYS A 48 11.336 -6.796 -7.226 1.00 0.38 N ATOM 718 CA LYS A 48 10.638 -5.541 -7.593 1.00 0.40 C ATOM 719 C LYS A 48 10.875 -4.523 -6.487 1.00 0.35 C ATOM 720 O LYS A 48 11.645 -3.602 -6.641 1.00 0.34 O ATOM 721 CB LYS A 48 9.123 -5.781 -7.808 1.00 0.44 C ATOM 722 CG LYS A 48 8.642 -7.017 -7.040 1.00 1.11 C ATOM 723 CD LYS A 48 7.110 -7.093 -7.149 1.00 1.38 C ATOM 724 CE LYS A 48 6.595 -8.468 -6.696 1.00 2.13 C ATOM 725 NZ LYS A 48 5.273 -8.729 -7.331 1.00 2.73 N ATOM 0 H LYS A 48 11.591 -6.879 -6.242 1.00 0.38 H new ATOM 0 HA LYS A 48 11.035 -5.165 -8.536 1.00 0.40 H new ATOM 0 HB2 LYS A 48 8.563 -4.905 -7.479 1.00 0.44 H new ATOM 0 HB3 LYS A 48 8.920 -5.909 -8.871 1.00 0.44 H new ATOM 0 HG2 LYS A 48 9.096 -7.919 -7.451 1.00 1.11 H new ATOM 0 HG3 LYS A 48 8.945 -6.955 -5.995 1.00 1.11 H new ATOM 0 HD2 LYS A 48 6.659 -6.312 -6.537 1.00 1.38 H new ATOM 0 HD3 LYS A 48 6.805 -6.907 -8.179 1.00 1.38 H new ATOM 0 HE2 LYS A 48 7.306 -9.246 -6.975 1.00 2.13 H new ATOM 0 HE3 LYS A 48 6.502 -8.495 -5.610 1.00 2.13 H new ATOM 0 HZ1 LYS A 48 4.920 -9.659 -7.028 1.00 2.73 H new ATOM 0 HZ2 LYS A 48 4.598 -7.992 -7.044 1.00 2.73 H new ATOM 0 HZ3 LYS A 48 5.377 -8.719 -8.366 1.00 2.73 H new ATOM 739 N GLN A 49 10.212 -4.692 -5.372 1.00 0.33 N ATOM 740 CA GLN A 49 10.368 -3.743 -4.229 1.00 0.30 C ATOM 741 C GLN A 49 10.639 -4.528 -2.936 1.00 0.25 C ATOM 742 O GLN A 49 10.101 -5.598 -2.714 1.00 0.26 O ATOM 743 CB GLN A 49 9.061 -2.939 -4.090 1.00 0.35 C ATOM 744 CG GLN A 49 9.144 -1.643 -4.907 1.00 0.82 C ATOM 745 CD GLN A 49 7.775 -0.960 -4.924 1.00 0.89 C ATOM 746 OE1 GLN A 49 7.599 0.060 -5.559 1.00 1.53 O ATOM 747 NE2 GLN A 49 6.790 -1.486 -4.247 1.00 1.52 N ATOM 0 H GLN A 49 9.560 -5.458 -5.203 1.00 0.33 H new ATOM 0 HA GLN A 49 11.206 -3.069 -4.409 1.00 0.30 H new ATOM 0 HB2 GLN A 49 8.218 -3.540 -4.433 1.00 0.35 H new ATOM 0 HB3 GLN A 49 8.880 -2.705 -3.041 1.00 0.35 H new ATOM 0 HG2 GLN A 49 9.890 -0.976 -4.475 1.00 0.82 H new ATOM 0 HG3 GLN A 49 9.465 -1.863 -5.925 1.00 0.82 H new ATOM 0 HE21 GLN A 49 6.938 -2.343 -3.714 1.00 1.52 H new ATOM 0 HE22 GLN A 49 5.873 -1.040 -4.252 1.00 1.52 H new ATOM 756 N VAL A 50 11.465 -3.989 -2.075 1.00 0.23 N ATOM 757 CA VAL A 50 11.778 -4.669 -0.781 1.00 0.19 C ATOM 758 C VAL A 50 11.823 -3.621 0.323 1.00 0.16 C ATOM 759 O VAL A 50 12.580 -2.676 0.258 1.00 0.15 O ATOM 760 CB VAL A 50 13.132 -5.374 -0.877 1.00 0.22 C ATOM 761 CG1 VAL A 50 13.338 -6.255 0.358 1.00 0.24 C ATOM 762 CG2 VAL A 50 13.161 -6.240 -2.140 1.00 0.31 C ATOM 0 H VAL A 50 11.941 -3.098 -2.215 1.00 0.23 H new ATOM 0 HA VAL A 50 11.011 -5.411 -0.560 1.00 0.19 H new ATOM 0 HB VAL A 50 13.930 -4.633 -0.926 1.00 0.22 H new ATOM 0 HG11 VAL A 50 14.303 -6.757 0.290 1.00 0.24 H new ATOM 0 HG12 VAL A 50 13.314 -5.636 1.255 1.00 0.24 H new ATOM 0 HG13 VAL A 50 12.544 -7.000 0.410 1.00 0.24 H new ATOM 0 HG21 VAL A 50 14.124 -6.745 -2.213 1.00 0.31 H new ATOM 0 HG22 VAL A 50 12.365 -6.983 -2.090 1.00 0.31 H new ATOM 0 HG23 VAL A 50 13.014 -5.609 -3.017 1.00 0.31 H new ATOM 772 N CYS A 51 11.016 -3.775 1.335 1.00 0.16 N ATOM 773 CA CYS A 51 11.005 -2.776 2.435 1.00 0.15 C ATOM 774 C CYS A 51 12.276 -2.923 3.268 1.00 0.14 C ATOM 775 O CYS A 51 12.846 -3.991 3.367 1.00 0.16 O ATOM 776 CB CYS A 51 9.783 -3.022 3.321 1.00 0.17 C ATOM 777 SG CYS A 51 8.276 -2.661 2.385 1.00 0.21 S ATOM 0 H CYS A 51 10.363 -4.551 1.446 1.00 0.16 H new ATOM 0 HA CYS A 51 10.961 -1.770 2.018 1.00 0.15 H new ATOM 0 HB2 CYS A 51 9.772 -4.057 3.664 1.00 0.17 H new ATOM 0 HB3 CYS A 51 9.832 -2.392 4.209 1.00 0.17 H new ATOM 782 N ALA A 52 12.731 -1.850 3.861 1.00 0.12 N ATOM 783 CA ALA A 52 13.975 -1.911 4.683 1.00 0.13 C ATOM 784 C ALA A 52 13.825 -1.005 5.906 1.00 0.15 C ATOM 785 O ALA A 52 13.363 0.116 5.811 1.00 0.15 O ATOM 786 CB ALA A 52 15.158 -1.431 3.839 1.00 0.11 C ATOM 0 H ALA A 52 12.292 -0.931 3.811 1.00 0.12 H new ATOM 0 HA ALA A 52 14.147 -2.936 5.011 1.00 0.13 H new ATOM 0 HB1 ALA A 52 16.070 -1.473 4.434 1.00 0.11 H new ATOM 0 HB2 ALA A 52 15.265 -2.073 2.964 1.00 0.11 H new ATOM 0 HB3 ALA A 52 14.982 -0.405 3.517 1.00 0.11 H new ATOM 792 N ASP A 53 14.211 -1.487 7.055 1.00 0.18 N ATOM 793 CA ASP A 53 14.096 -0.670 8.295 1.00 0.22 C ATOM 794 C ASP A 53 15.109 0.507 8.231 1.00 0.21 C ATOM 795 O ASP A 53 16.297 0.257 8.190 1.00 0.22 O ATOM 796 CB ASP A 53 14.424 -1.563 9.503 1.00 0.27 C ATOM 797 CG ASP A 53 15.496 -2.583 9.110 1.00 1.35 C ATOM 798 OD1 ASP A 53 16.292 -2.272 8.241 1.00 2.10 O ATOM 799 OD2 ASP A 53 15.500 -3.659 9.686 1.00 2.17 O ATOM 0 H ASP A 53 14.604 -2.419 7.189 1.00 0.18 H new ATOM 0 HA ASP A 53 13.086 -0.271 8.389 1.00 0.22 H new ATOM 0 HB2 ASP A 53 14.776 -0.953 10.335 1.00 0.27 H new ATOM 0 HB3 ASP A 53 13.525 -2.077 9.843 1.00 0.27 H new ATOM 804 N PRO A 54 14.648 1.757 8.223 1.00 0.22 N ATOM 805 CA PRO A 54 15.578 2.908 8.163 1.00 0.24 C ATOM 806 C PRO A 54 16.499 2.923 9.396 1.00 0.28 C ATOM 807 O PRO A 54 17.392 3.739 9.503 1.00 0.30 O ATOM 808 CB PRO A 54 14.670 4.160 8.148 1.00 0.27 C ATOM 809 CG PRO A 54 13.193 3.674 8.211 1.00 0.27 C ATOM 810 CD PRO A 54 13.212 2.130 8.266 1.00 0.24 C ATOM 0 HA PRO A 54 16.227 2.864 7.288 1.00 0.24 H new ATOM 0 HB2 PRO A 54 14.896 4.807 8.996 1.00 0.27 H new ATOM 0 HB3 PRO A 54 14.842 4.746 7.245 1.00 0.27 H new ATOM 0 HG2 PRO A 54 12.692 4.082 9.089 1.00 0.27 H new ATOM 0 HG3 PRO A 54 12.639 4.019 7.338 1.00 0.27 H new ATOM 0 HD2 PRO A 54 12.737 1.762 9.175 1.00 0.24 H new ATOM 0 HD3 PRO A 54 12.668 1.699 7.425 1.00 0.24 H new ATOM 818 N SER A 55 16.273 2.047 10.330 1.00 0.31 N ATOM 819 CA SER A 55 17.118 2.033 11.561 1.00 0.36 C ATOM 820 C SER A 55 18.485 1.409 11.265 1.00 0.36 C ATOM 821 O SER A 55 19.443 1.635 11.978 1.00 0.40 O ATOM 822 CB SER A 55 16.415 1.219 12.648 1.00 0.40 C ATOM 823 OG SER A 55 17.130 1.351 13.870 1.00 1.42 O ATOM 0 H SER A 55 15.540 1.338 10.298 1.00 0.31 H new ATOM 0 HA SER A 55 17.265 3.059 11.899 1.00 0.36 H new ATOM 0 HB2 SER A 55 15.390 1.567 12.774 1.00 0.40 H new ATOM 0 HB3 SER A 55 16.362 0.170 12.356 1.00 0.40 H new ATOM 0 HG SER A 55 16.681 0.832 14.569 1.00 1.42 H new ATOM 829 N GLU A 56 18.592 0.628 10.226 1.00 0.33 N ATOM 830 CA GLU A 56 19.906 -0.001 9.899 1.00 0.34 C ATOM 831 C GLU A 56 20.779 1.005 9.143 1.00 0.33 C ATOM 832 O GLU A 56 20.425 1.494 8.088 1.00 0.29 O ATOM 833 CB GLU A 56 19.674 -1.252 9.044 1.00 0.31 C ATOM 834 CG GLU A 56 19.289 -2.445 9.934 1.00 0.35 C ATOM 835 CD GLU A 56 18.222 -2.028 10.954 1.00 1.30 C ATOM 836 OE1 GLU A 56 17.281 -1.360 10.559 1.00 2.08 O ATOM 837 OE2 GLU A 56 18.365 -2.386 12.111 1.00 2.01 O ATOM 0 H GLU A 56 17.829 0.397 9.589 1.00 0.33 H new ATOM 0 HA GLU A 56 20.416 -0.290 10.818 1.00 0.34 H new ATOM 0 HB2 GLU A 56 18.884 -1.062 8.317 1.00 0.31 H new ATOM 0 HB3 GLU A 56 20.576 -1.487 8.480 1.00 0.31 H new ATOM 0 HG2 GLU A 56 18.912 -3.261 9.317 1.00 0.35 H new ATOM 0 HG3 GLU A 56 20.171 -2.819 10.453 1.00 0.35 H new ATOM 844 N SER A 57 21.913 1.324 9.695 1.00 0.37 N ATOM 845 CA SER A 57 22.832 2.308 9.056 1.00 0.38 C ATOM 846 C SER A 57 23.067 1.979 7.578 1.00 0.35 C ATOM 847 O SER A 57 23.144 2.866 6.751 1.00 0.34 O ATOM 848 CB SER A 57 24.171 2.294 9.792 1.00 0.44 C ATOM 849 OG SER A 57 25.037 3.259 9.210 1.00 1.37 O ATOM 0 H SER A 57 22.249 0.939 10.577 1.00 0.37 H new ATOM 0 HA SER A 57 22.371 3.294 9.116 1.00 0.38 H new ATOM 0 HB2 SER A 57 24.020 2.514 10.849 1.00 0.44 H new ATOM 0 HB3 SER A 57 24.621 1.303 9.734 1.00 0.44 H new ATOM 0 HG SER A 57 25.896 3.254 9.681 1.00 1.37 H new ATOM 855 N TRP A 58 23.208 0.729 7.231 1.00 0.34 N ATOM 856 CA TRP A 58 23.466 0.403 5.799 1.00 0.32 C ATOM 857 C TRP A 58 22.301 0.896 4.945 1.00 0.27 C ATOM 858 O TRP A 58 22.477 1.295 3.813 1.00 0.27 O ATOM 859 CB TRP A 58 23.699 -1.107 5.618 1.00 0.34 C ATOM 860 CG TRP A 58 22.414 -1.877 5.607 1.00 0.31 C ATOM 861 CD1 TRP A 58 21.973 -2.654 6.623 1.00 0.32 C ATOM 862 CD2 TRP A 58 21.422 -1.993 4.543 1.00 0.27 C ATOM 863 NE1 TRP A 58 20.776 -3.241 6.254 1.00 0.29 N ATOM 864 CE2 TRP A 58 20.388 -2.861 4.988 1.00 0.26 C ATOM 865 CE3 TRP A 58 21.313 -1.436 3.246 1.00 0.27 C ATOM 866 CZ2 TRP A 58 19.285 -3.165 4.180 1.00 0.25 C ATOM 867 CZ3 TRP A 58 20.203 -1.740 2.428 1.00 0.27 C ATOM 868 CH2 TRP A 58 19.191 -2.602 2.896 1.00 0.26 C ATOM 0 H TRP A 58 23.157 -0.069 7.864 1.00 0.34 H new ATOM 0 HA TRP A 58 24.373 0.911 5.472 1.00 0.32 H new ATOM 0 HB2 TRP A 58 24.234 -1.282 4.685 1.00 0.34 H new ATOM 0 HB3 TRP A 58 24.335 -1.475 6.423 1.00 0.34 H new ATOM 0 HD1 TRP A 58 22.475 -2.793 7.569 1.00 0.32 H new ATOM 0 HE1 TRP A 58 20.245 -3.878 6.848 1.00 0.29 H new ATOM 0 HE3 TRP A 58 22.084 -0.774 2.880 1.00 0.27 H new ATOM 0 HZ2 TRP A 58 18.512 -3.827 4.541 1.00 0.25 H new ATOM 0 HZ3 TRP A 58 20.129 -1.310 1.440 1.00 0.27 H new ATOM 0 HH2 TRP A 58 18.343 -2.830 2.267 1.00 0.26 H new ATOM 879 N VAL A 59 21.119 0.904 5.482 1.00 0.24 N ATOM 880 CA VAL A 59 19.962 1.397 4.691 1.00 0.20 C ATOM 881 C VAL A 59 20.166 2.881 4.409 1.00 0.22 C ATOM 882 O VAL A 59 20.026 3.336 3.293 1.00 0.21 O ATOM 883 CB VAL A 59 18.681 1.186 5.493 1.00 0.19 C ATOM 884 CG1 VAL A 59 17.481 1.739 4.718 1.00 0.18 C ATOM 885 CG2 VAL A 59 18.500 -0.313 5.731 1.00 0.19 C ATOM 0 H VAL A 59 20.903 0.593 6.429 1.00 0.24 H new ATOM 0 HA VAL A 59 19.883 0.854 3.749 1.00 0.20 H new ATOM 0 HB VAL A 59 18.749 1.710 6.446 1.00 0.19 H new ATOM 0 HG11 VAL A 59 16.571 1.584 5.298 1.00 0.18 H new ATOM 0 HG12 VAL A 59 17.622 2.805 4.542 1.00 0.18 H new ATOM 0 HG13 VAL A 59 17.395 1.221 3.763 1.00 0.18 H new ATOM 0 HG21 VAL A 59 17.588 -0.483 6.304 1.00 0.19 H new ATOM 0 HG22 VAL A 59 18.428 -0.827 4.773 1.00 0.19 H new ATOM 0 HG23 VAL A 59 19.355 -0.699 6.287 1.00 0.19 H new ATOM 895 N GLN A 60 20.516 3.634 5.409 1.00 0.25 N ATOM 896 CA GLN A 60 20.750 5.088 5.188 1.00 0.28 C ATOM 897 C GLN A 60 21.963 5.266 4.269 1.00 0.30 C ATOM 898 O GLN A 60 22.009 6.162 3.449 1.00 0.31 O ATOM 899 CB GLN A 60 21.016 5.774 6.529 1.00 0.33 C ATOM 900 CG GLN A 60 20.931 7.291 6.354 1.00 1.25 C ATOM 901 CD GLN A 60 21.049 7.972 7.718 1.00 1.65 C ATOM 902 OE1 GLN A 60 20.673 7.407 8.726 1.00 2.33 O ATOM 903 NE2 GLN A 60 21.559 9.170 7.794 1.00 2.14 N ATOM 0 H GLN A 60 20.650 3.310 6.367 1.00 0.25 H new ATOM 0 HA GLN A 60 19.871 5.536 4.725 1.00 0.28 H new ATOM 0 HB2 GLN A 60 20.289 5.442 7.270 1.00 0.33 H new ATOM 0 HB3 GLN A 60 22.001 5.495 6.903 1.00 0.33 H new ATOM 0 HG2 GLN A 60 21.727 7.636 5.694 1.00 1.25 H new ATOM 0 HG3 GLN A 60 19.986 7.560 5.882 1.00 1.25 H new ATOM 0 HE21 GLN A 60 21.875 9.644 6.948 1.00 2.14 H new ATOM 0 HE22 GLN A 60 21.642 9.632 8.699 1.00 2.14 H new ATOM 912 N GLU A 61 22.947 4.418 4.406 1.00 0.31 N ATOM 913 CA GLU A 61 24.165 4.530 3.550 1.00 0.33 C ATOM 914 C GLU A 61 23.808 4.259 2.087 1.00 0.31 C ATOM 915 O GLU A 61 24.164 5.010 1.201 1.00 0.32 O ATOM 916 CB GLU A 61 25.209 3.513 4.016 1.00 0.35 C ATOM 917 CG GLU A 61 26.538 3.785 3.308 1.00 0.40 C ATOM 918 CD GLU A 61 27.612 2.848 3.860 1.00 1.29 C ATOM 919 OE1 GLU A 61 28.225 3.201 4.854 1.00 1.99 O ATOM 920 OE2 GLU A 61 27.806 1.792 3.280 1.00 2.03 O ATOM 0 H GLU A 61 22.960 3.649 5.076 1.00 0.31 H new ATOM 0 HA GLU A 61 24.569 5.539 3.636 1.00 0.33 H new ATOM 0 HB2 GLU A 61 25.340 3.579 5.096 1.00 0.35 H new ATOM 0 HB3 GLU A 61 24.869 2.501 3.798 1.00 0.35 H new ATOM 0 HG2 GLU A 61 26.427 3.635 2.234 1.00 0.40 H new ATOM 0 HG3 GLU A 61 26.835 4.823 3.456 1.00 0.40 H new ATOM 927 N TYR A 62 23.114 3.186 1.825 1.00 0.28 N ATOM 928 CA TYR A 62 22.740 2.862 0.417 1.00 0.28 C ATOM 929 C TYR A 62 21.864 3.982 -0.152 1.00 0.28 C ATOM 930 O TYR A 62 21.952 4.317 -1.317 1.00 0.30 O ATOM 931 CB TYR A 62 21.970 1.531 0.376 1.00 0.25 C ATOM 932 CG TYR A 62 22.932 0.353 0.388 1.00 0.27 C ATOM 933 CD1 TYR A 62 23.945 0.259 1.365 1.00 0.29 C ATOM 934 CD2 TYR A 62 22.806 -0.660 -0.587 1.00 0.27 C ATOM 935 CE1 TYR A 62 24.825 -0.841 1.366 1.00 0.32 C ATOM 936 CE2 TYR A 62 23.688 -1.757 -0.586 1.00 0.29 C ATOM 937 CZ TYR A 62 24.697 -1.847 0.391 1.00 0.31 C ATOM 938 OH TYR A 62 25.559 -2.924 0.393 1.00 0.34 O ATOM 0 H TYR A 62 22.789 2.519 2.524 1.00 0.28 H new ATOM 0 HA TYR A 62 23.645 2.770 -0.183 1.00 0.28 H new ATOM 0 HB2 TYR A 62 21.298 1.467 1.232 1.00 0.25 H new ATOM 0 HB3 TYR A 62 21.350 1.491 -0.519 1.00 0.25 H new ATOM 0 HD1 TYR A 62 24.046 1.031 2.113 1.00 0.29 H new ATOM 0 HD2 TYR A 62 22.031 -0.593 -1.336 1.00 0.27 H new ATOM 0 HE1 TYR A 62 25.599 -0.912 2.116 1.00 0.32 H new ATOM 0 HE2 TYR A 62 23.590 -2.529 -1.335 1.00 0.29 H new ATOM 0 HH TYR A 62 25.332 -3.526 -0.346 1.00 0.34 H new ATOM 948 N VAL A 63 21.027 4.571 0.656 1.00 0.27 N ATOM 949 CA VAL A 63 20.164 5.669 0.152 1.00 0.28 C ATOM 950 C VAL A 63 21.058 6.839 -0.229 1.00 0.32 C ATOM 951 O VAL A 63 20.851 7.502 -1.224 1.00 0.34 O ATOM 952 CB VAL A 63 19.190 6.098 1.253 1.00 0.28 C ATOM 953 CG1 VAL A 63 18.462 7.379 0.833 1.00 0.32 C ATOM 954 CG2 VAL A 63 18.166 4.985 1.486 1.00 0.25 C ATOM 0 H VAL A 63 20.905 4.338 1.642 1.00 0.27 H new ATOM 0 HA VAL A 63 19.592 5.337 -0.715 1.00 0.28 H new ATOM 0 HB VAL A 63 19.745 6.285 2.172 1.00 0.28 H new ATOM 0 HG11 VAL A 63 17.770 7.679 1.620 1.00 0.32 H new ATOM 0 HG12 VAL A 63 19.190 8.173 0.667 1.00 0.32 H new ATOM 0 HG13 VAL A 63 17.907 7.197 -0.087 1.00 0.32 H new ATOM 0 HG21 VAL A 63 17.471 5.288 2.269 1.00 0.25 H new ATOM 0 HG22 VAL A 63 17.615 4.799 0.564 1.00 0.25 H new ATOM 0 HG23 VAL A 63 18.682 4.074 1.790 1.00 0.25 H new ATOM 964 N TYR A 64 22.059 7.089 0.562 1.00 0.34 N ATOM 965 CA TYR A 64 22.980 8.210 0.259 1.00 0.38 C ATOM 966 C TYR A 64 23.687 7.931 -1.065 1.00 0.38 C ATOM 967 O TYR A 64 23.828 8.796 -1.905 1.00 0.41 O ATOM 968 CB TYR A 64 24.016 8.328 1.381 1.00 0.41 C ATOM 969 CG TYR A 64 24.666 9.693 1.338 1.00 0.46 C ATOM 970 CD1 TYR A 64 23.954 10.825 1.778 1.00 0.48 C ATOM 971 CD2 TYR A 64 25.984 9.832 0.859 1.00 0.49 C ATOM 972 CE1 TYR A 64 24.559 12.096 1.739 1.00 0.52 C ATOM 973 CE2 TYR A 64 26.588 11.103 0.820 1.00 0.54 C ATOM 974 CZ TYR A 64 25.875 12.235 1.260 1.00 0.55 C ATOM 975 OH TYR A 64 26.467 13.481 1.222 1.00 0.60 O ATOM 0 H TYR A 64 22.279 6.563 1.408 1.00 0.34 H new ATOM 0 HA TYR A 64 22.420 9.142 0.184 1.00 0.38 H new ATOM 0 HB2 TYR A 64 23.537 8.174 2.348 1.00 0.41 H new ATOM 0 HB3 TYR A 64 24.773 7.551 1.272 1.00 0.41 H new ATOM 0 HD1 TYR A 64 22.944 10.719 2.145 1.00 0.48 H new ATOM 0 HD2 TYR A 64 26.531 8.964 0.522 1.00 0.49 H new ATOM 0 HE1 TYR A 64 24.013 12.964 2.077 1.00 0.52 H new ATOM 0 HE2 TYR A 64 27.598 11.210 0.453 1.00 0.54 H new ATOM 0 HH TYR A 64 27.376 13.400 0.866 1.00 0.60 H new ATOM 985 N ASP A 65 24.129 6.722 -1.248 1.00 0.36 N ATOM 986 CA ASP A 65 24.834 6.362 -2.510 1.00 0.37 C ATOM 987 C ASP A 65 23.884 6.543 -3.697 1.00 0.37 C ATOM 988 O ASP A 65 24.288 6.928 -4.777 1.00 0.40 O ATOM 989 CB ASP A 65 25.285 4.900 -2.430 1.00 0.35 C ATOM 990 CG ASP A 65 26.553 4.796 -1.579 1.00 0.39 C ATOM 991 OD1 ASP A 65 27.444 5.607 -1.776 1.00 1.15 O ATOM 992 OD2 ASP A 65 26.612 3.908 -0.744 1.00 1.11 O ATOM 0 H ASP A 65 24.033 5.962 -0.575 1.00 0.36 H new ATOM 0 HA ASP A 65 25.702 7.007 -2.645 1.00 0.37 H new ATOM 0 HB2 ASP A 65 24.494 4.289 -1.996 1.00 0.35 H new ATOM 0 HB3 ASP A 65 25.475 4.513 -3.431 1.00 0.35 H new ATOM 997 N LEU A 66 22.627 6.267 -3.503 1.00 0.33 N ATOM 998 CA LEU A 66 21.644 6.417 -4.610 1.00 0.34 C ATOM 999 C LEU A 66 21.409 7.906 -4.883 1.00 0.39 C ATOM 1000 O LEU A 66 21.125 8.308 -5.994 1.00 0.42 O ATOM 1001 CB LEU A 66 20.330 5.744 -4.195 1.00 0.31 C ATOM 1002 CG LEU A 66 20.420 4.218 -4.413 1.00 0.28 C ATOM 1003 CD1 LEU A 66 19.389 3.507 -3.535 1.00 0.24 C ATOM 1004 CD2 LEU A 66 20.131 3.870 -5.883 1.00 0.30 C ATOM 0 H LEU A 66 22.235 5.942 -2.619 1.00 0.33 H new ATOM 0 HA LEU A 66 22.023 5.948 -5.518 1.00 0.34 H new ATOM 0 HB2 LEU A 66 20.119 5.957 -3.147 1.00 0.31 H new ATOM 0 HB3 LEU A 66 19.504 6.154 -4.776 1.00 0.31 H new ATOM 0 HG LEU A 66 21.427 3.893 -4.150 1.00 0.28 H new ATOM 0 HD11 LEU A 66 19.457 2.431 -3.693 1.00 0.24 H new ATOM 0 HD12 LEU A 66 19.586 3.733 -2.487 1.00 0.24 H new ATOM 0 HD13 LEU A 66 18.388 3.850 -3.798 1.00 0.24 H new ATOM 0 HD21 LEU A 66 20.198 2.791 -6.021 1.00 0.30 H new ATOM 0 HD22 LEU A 66 19.129 4.208 -6.147 1.00 0.30 H new ATOM 0 HD23 LEU A 66 20.861 4.364 -6.524 1.00 0.30 H new ATOM 1016 N GLU A 67 21.532 8.725 -3.878 1.00 0.40 N ATOM 1017 CA GLU A 67 21.325 10.188 -4.077 1.00 0.45 C ATOM 1018 C GLU A 67 22.514 10.760 -4.845 1.00 0.50 C ATOM 1019 O GLU A 67 22.396 11.731 -5.565 1.00 0.55 O ATOM 1020 CB GLU A 67 21.225 10.875 -2.714 1.00 0.46 C ATOM 1021 CG GLU A 67 19.945 10.429 -2.003 1.00 0.44 C ATOM 1022 CD GLU A 67 18.746 11.200 -2.561 1.00 1.13 C ATOM 1023 OE1 GLU A 67 18.307 10.867 -3.651 1.00 1.81 O ATOM 1024 OE2 GLU A 67 18.286 12.109 -1.890 1.00 1.88 O ATOM 0 H GLU A 67 21.767 8.446 -2.926 1.00 0.40 H new ATOM 0 HA GLU A 67 20.407 10.358 -4.639 1.00 0.45 H new ATOM 0 HB2 GLU A 67 22.095 10.627 -2.106 1.00 0.46 H new ATOM 0 HB3 GLU A 67 21.223 11.958 -2.841 1.00 0.46 H new ATOM 0 HG2 GLU A 67 19.796 9.358 -2.140 1.00 0.44 H new ATOM 0 HG3 GLU A 67 20.034 10.603 -0.931 1.00 0.44 H new ATOM 1116 N SER B 5 10.568 -9.706 -3.316 1.00 0.44 N ATOM 1117 CA SER B 5 11.218 -10.088 -2.027 1.00 0.30 C ATOM 1118 C SER B 5 10.314 -9.673 -0.853 1.00 0.27 C ATOM 1119 O SER B 5 9.828 -10.505 -0.112 1.00 0.30 O ATOM 1120 CB SER B 5 12.596 -9.410 -1.931 1.00 0.49 C ATOM 1121 OG SER B 5 13.587 -10.407 -1.717 1.00 1.52 O ATOM 0 HA SER B 5 11.360 -11.168 -1.985 1.00 0.30 H new ATOM 0 HB2 SER B 5 12.809 -8.858 -2.846 1.00 0.49 H new ATOM 0 HB3 SER B 5 12.605 -8.689 -1.114 1.00 0.49 H new ATOM 0 HG SER B 5 14.469 -9.984 -1.656 1.00 1.52 H new ATOM 1127 N ASP B 6 10.082 -8.398 -0.682 1.00 0.24 N ATOM 1128 CA ASP B 6 9.202 -7.941 0.441 1.00 0.23 C ATOM 1129 C ASP B 6 8.651 -6.539 0.132 1.00 0.21 C ATOM 1130 O ASP B 6 9.023 -5.582 0.781 1.00 0.20 O ATOM 1131 CB ASP B 6 10.012 -7.894 1.748 1.00 0.25 C ATOM 1132 CG ASP B 6 9.058 -7.903 2.945 1.00 1.26 C ATOM 1133 OD1 ASP B 6 7.872 -7.709 2.734 1.00 2.03 O ATOM 1134 OD2 ASP B 6 9.530 -8.105 4.052 1.00 2.00 O ATOM 0 H ASP B 6 10.461 -7.654 -1.267 1.00 0.24 H new ATOM 0 HA ASP B 6 8.373 -8.640 0.552 1.00 0.23 H new ATOM 0 HB2 ASP B 6 10.686 -8.749 1.801 1.00 0.25 H new ATOM 0 HB3 ASP B 6 10.632 -6.998 1.771 1.00 0.25 H new ATOM 1139 N PRO B 7 7.781 -6.446 -0.852 1.00 0.22 N ATOM 1140 CA PRO B 7 7.192 -5.148 -1.237 1.00 0.22 C ATOM 1141 C PRO B 7 6.326 -4.600 -0.081 1.00 0.20 C ATOM 1142 O PRO B 7 6.011 -5.327 0.840 1.00 0.20 O ATOM 1143 CB PRO B 7 6.333 -5.458 -2.487 1.00 0.25 C ATOM 1144 CG PRO B 7 6.426 -6.990 -2.751 1.00 0.27 C ATOM 1145 CD PRO B 7 7.323 -7.601 -1.651 1.00 0.26 C ATOM 0 HA PRO B 7 7.944 -4.388 -1.449 1.00 0.22 H new ATOM 0 HB2 PRO B 7 5.297 -5.159 -2.324 1.00 0.25 H new ATOM 0 HB3 PRO B 7 6.695 -4.898 -3.349 1.00 0.25 H new ATOM 0 HG2 PRO B 7 5.435 -7.443 -2.732 1.00 0.27 H new ATOM 0 HG3 PRO B 7 6.845 -7.184 -3.738 1.00 0.27 H new ATOM 0 HD2 PRO B 7 6.768 -8.311 -1.038 1.00 0.26 H new ATOM 0 HD3 PRO B 7 8.165 -8.142 -2.083 1.00 0.26 H new ATOM 1153 N PRO B 8 5.954 -3.337 -0.166 1.00 0.21 N ATOM 1154 CA PRO B 8 5.114 -2.706 0.872 1.00 0.22 C ATOM 1155 C PRO B 8 3.752 -3.413 0.930 1.00 0.22 C ATOM 1156 O PRO B 8 3.607 -4.539 0.495 1.00 0.22 O ATOM 1157 CB PRO B 8 4.963 -1.233 0.419 1.00 0.24 C ATOM 1158 CG PRO B 8 5.598 -1.117 -0.997 1.00 0.26 C ATOM 1159 CD PRO B 8 6.334 -2.443 -1.283 1.00 0.24 C ATOM 0 HA PRO B 8 5.547 -2.772 1.870 1.00 0.22 H new ATOM 0 HB2 PRO B 8 3.912 -0.945 0.394 1.00 0.24 H new ATOM 0 HB3 PRO B 8 5.461 -0.563 1.120 1.00 0.24 H new ATOM 0 HG2 PRO B 8 4.830 -0.935 -1.748 1.00 0.26 H new ATOM 0 HG3 PRO B 8 6.291 -0.277 -1.039 1.00 0.26 H new ATOM 0 HD2 PRO B 8 6.035 -2.862 -2.244 1.00 0.24 H new ATOM 0 HD3 PRO B 8 7.413 -2.296 -1.322 1.00 0.24 H new ATOM 1167 N THR B 9 2.752 -2.757 1.458 1.00 0.23 N ATOM 1168 CA THR B 9 1.401 -3.385 1.537 1.00 0.24 C ATOM 1169 C THR B 9 0.332 -2.295 1.528 1.00 0.24 C ATOM 1170 O THR B 9 0.314 -1.416 2.366 1.00 0.25 O ATOM 1171 CB THR B 9 1.290 -4.198 2.826 1.00 0.25 C ATOM 1172 OG1 THR B 9 2.424 -5.044 2.948 1.00 0.26 O ATOM 1173 CG2 THR B 9 0.018 -5.047 2.787 1.00 0.29 C ATOM 0 H THR B 9 2.813 -1.812 1.838 1.00 0.23 H new ATOM 0 HA THR B 9 1.256 -4.043 0.680 1.00 0.24 H new ATOM 0 HB THR B 9 1.247 -3.523 3.681 1.00 0.25 H new ATOM 0 HG1 THR B 9 2.475 -5.393 3.862 1.00 0.26 H new ATOM 0 HG21 THR B 9 -0.061 -5.627 3.707 1.00 0.29 H new ATOM 0 HG22 THR B 9 -0.851 -4.396 2.693 1.00 0.29 H new ATOM 0 HG23 THR B 9 0.058 -5.724 1.934 1.00 0.29 H new ATOM 1181 N ALA B 10 -0.560 -2.350 0.580 1.00 0.23 N ATOM 1182 CA ALA B 10 -1.633 -1.323 0.500 1.00 0.23 C ATOM 1183 C ALA B 10 -2.583 -1.480 1.686 1.00 0.22 C ATOM 1184 O ALA B 10 -3.633 -2.082 1.576 1.00 0.27 O ATOM 1185 CB ALA B 10 -2.412 -1.515 -0.800 1.00 0.23 C ATOM 0 H ALA B 10 -0.592 -3.066 -0.146 1.00 0.23 H new ATOM 0 HA ALA B 10 -1.189 -0.328 0.523 1.00 0.23 H new ATOM 0 HB1 ALA B 10 -3.201 -0.765 -0.866 1.00 0.23 H new ATOM 0 HB2 ALA B 10 -1.736 -1.406 -1.648 1.00 0.23 H new ATOM 0 HB3 ALA B 10 -2.856 -2.511 -0.815 1.00 0.23 H new ATOM 1191 N CYS B 11 -2.227 -0.929 2.818 1.00 0.25 N ATOM 1192 CA CYS B 11 -3.103 -1.022 4.026 1.00 0.25 C ATOM 1193 C CYS B 11 -3.707 0.355 4.297 1.00 0.25 C ATOM 1194 O CYS B 11 -3.026 1.361 4.251 1.00 0.26 O ATOM 1195 CB CYS B 11 -2.265 -1.462 5.229 1.00 0.25 C ATOM 1196 SG CYS B 11 -1.310 -2.937 4.791 1.00 0.34 S ATOM 0 H CYS B 11 -1.358 -0.413 2.959 1.00 0.25 H new ATOM 0 HA CYS B 11 -3.897 -1.750 3.859 1.00 0.25 H new ATOM 0 HB2 CYS B 11 -1.594 -0.658 5.532 1.00 0.25 H new ATOM 0 HB3 CYS B 11 -2.913 -1.674 6.079 1.00 0.25 H new ATOM 1201 N CYS B 12 -4.981 0.415 4.566 1.00 0.24 N ATOM 1202 CA CYS B 12 -5.622 1.733 4.827 1.00 0.24 C ATOM 1203 C CYS B 12 -5.173 2.262 6.190 1.00 0.24 C ATOM 1204 O CYS B 12 -5.046 1.519 7.144 1.00 0.27 O ATOM 1205 CB CYS B 12 -7.145 1.575 4.819 1.00 0.24 C ATOM 1206 SG CYS B 12 -7.689 1.056 3.172 1.00 0.24 S ATOM 0 H CYS B 12 -5.605 -0.390 4.616 1.00 0.24 H new ATOM 0 HA CYS B 12 -5.326 2.437 4.049 1.00 0.24 H new ATOM 0 HB2 CYS B 12 -7.449 0.839 5.563 1.00 0.24 H new ATOM 0 HB3 CYS B 12 -7.621 2.517 5.091 1.00 0.24 H new ATOM 1211 N PHE B 13 -4.945 3.546 6.288 1.00 0.25 N ATOM 1212 CA PHE B 13 -4.513 4.149 7.587 1.00 0.27 C ATOM 1213 C PHE B 13 -5.717 4.855 8.216 1.00 0.24 C ATOM 1214 O PHE B 13 -5.728 5.175 9.387 1.00 0.26 O ATOM 1215 CB PHE B 13 -3.395 5.166 7.328 1.00 0.30 C ATOM 1216 CG PHE B 13 -3.959 6.355 6.586 1.00 0.31 C ATOM 1217 CD1 PHE B 13 -4.234 6.257 5.210 1.00 0.31 C ATOM 1218 CD2 PHE B 13 -4.221 7.555 7.275 1.00 0.35 C ATOM 1219 CE1 PHE B 13 -4.771 7.359 4.522 1.00 0.34 C ATOM 1220 CE2 PHE B 13 -4.760 8.657 6.587 1.00 0.37 C ATOM 1221 CZ PHE B 13 -5.035 8.561 5.209 1.00 0.37 C ATOM 0 H PHE B 13 -5.040 4.209 5.518 1.00 0.25 H new ATOM 0 HA PHE B 13 -4.142 3.375 8.259 1.00 0.27 H new ATOM 0 HB2 PHE B 13 -2.955 5.488 8.272 1.00 0.30 H new ATOM 0 HB3 PHE B 13 -2.597 4.705 6.746 1.00 0.30 H new ATOM 0 HD1 PHE B 13 -4.033 5.336 4.683 1.00 0.31 H new ATOM 0 HD2 PHE B 13 -4.008 7.629 8.331 1.00 0.35 H new ATOM 0 HE1 PHE B 13 -4.982 7.284 3.465 1.00 0.34 H new ATOM 0 HE2 PHE B 13 -4.963 9.577 7.115 1.00 0.37 H new ATOM 0 HZ PHE B 13 -5.448 9.407 4.680 1.00 0.37 H new ATOM 1231 N SER B 14 -6.732 5.093 7.429 1.00 0.21 N ATOM 1232 CA SER B 14 -7.951 5.774 7.947 1.00 0.20 C ATOM 1233 C SER B 14 -9.135 5.406 7.051 1.00 0.18 C ATOM 1234 O SER B 14 -9.122 4.391 6.384 1.00 0.17 O ATOM 1235 CB SER B 14 -7.742 7.288 7.924 1.00 0.20 C ATOM 1236 OG SER B 14 -7.525 7.711 6.584 1.00 0.25 O ATOM 0 H SER B 14 -6.768 4.842 6.441 1.00 0.21 H new ATOM 0 HA SER B 14 -8.147 5.458 8.972 1.00 0.20 H new ATOM 0 HB2 SER B 14 -8.613 7.794 8.341 1.00 0.20 H new ATOM 0 HB3 SER B 14 -6.889 7.559 8.546 1.00 0.20 H new ATOM 0 HG SER B 14 -6.575 7.616 6.361 1.00 0.25 H new ATOM 1242 N TYR B 15 -10.161 6.214 7.027 1.00 0.19 N ATOM 1243 CA TYR B 15 -11.342 5.891 6.169 1.00 0.20 C ATOM 1244 C TYR B 15 -12.086 7.179 5.815 1.00 0.24 C ATOM 1245 O TYR B 15 -11.967 8.183 6.489 1.00 0.29 O ATOM 1246 CB TYR B 15 -12.289 4.951 6.929 1.00 0.22 C ATOM 1247 CG TYR B 15 -11.487 3.932 7.704 1.00 0.21 C ATOM 1248 CD1 TYR B 15 -11.058 2.748 7.076 1.00 0.21 C ATOM 1249 CD2 TYR B 15 -11.170 4.169 9.055 1.00 0.25 C ATOM 1250 CE1 TYR B 15 -10.310 1.800 7.801 1.00 0.23 C ATOM 1251 CE2 TYR B 15 -10.423 3.220 9.779 1.00 0.28 C ATOM 1252 CZ TYR B 15 -9.992 2.036 9.153 1.00 0.27 C ATOM 1253 OH TYR B 15 -9.260 1.105 9.862 1.00 0.32 O ATOM 0 H TYR B 15 -10.234 7.080 7.561 1.00 0.19 H new ATOM 0 HA TYR B 15 -11.000 5.404 5.256 1.00 0.20 H new ATOM 0 HB2 TYR B 15 -12.918 5.526 7.609 1.00 0.22 H new ATOM 0 HB3 TYR B 15 -12.955 4.447 6.229 1.00 0.22 H new ATOM 0 HD1 TYR B 15 -11.302 2.567 6.040 1.00 0.21 H new ATOM 0 HD2 TYR B 15 -11.500 5.078 9.536 1.00 0.25 H new ATOM 0 HE1 TYR B 15 -9.980 0.891 7.320 1.00 0.23 H new ATOM 0 HE2 TYR B 15 -10.181 3.401 10.816 1.00 0.28 H new ATOM 0 HH TYR B 15 -9.127 1.423 10.779 1.00 0.32 H new ATOM 1263 N THR B 16 -12.866 7.153 4.767 1.00 0.22 N ATOM 1264 CA THR B 16 -13.629 8.373 4.384 1.00 0.28 C ATOM 1265 C THR B 16 -14.528 8.774 5.557 1.00 0.32 C ATOM 1266 O THR B 16 -14.315 8.354 6.677 1.00 0.38 O ATOM 1267 CB THR B 16 -14.467 8.082 3.132 1.00 0.28 C ATOM 1268 OG1 THR B 16 -15.308 9.191 2.852 1.00 0.39 O ATOM 1269 CG2 THR B 16 -15.322 6.833 3.354 1.00 0.27 C ATOM 0 H THR B 16 -13.006 6.343 4.163 1.00 0.22 H new ATOM 0 HA THR B 16 -12.948 9.193 4.157 1.00 0.28 H new ATOM 0 HB THR B 16 -13.798 7.911 2.288 1.00 0.28 H new ATOM 0 HG1 THR B 16 -14.771 10.010 2.825 1.00 0.39 H new ATOM 0 HG21 THR B 16 -15.914 6.634 2.461 1.00 0.27 H new ATOM 0 HG22 THR B 16 -14.674 5.980 3.558 1.00 0.27 H new ATOM 0 HG23 THR B 16 -15.988 6.994 4.202 1.00 0.27 H new ATOM 1277 N ALA B 17 -15.528 9.581 5.323 1.00 0.36 N ATOM 1278 CA ALA B 17 -16.429 10.003 6.439 1.00 0.42 C ATOM 1279 C ALA B 17 -17.858 10.137 5.915 1.00 0.45 C ATOM 1280 O ALA B 17 -18.706 10.743 6.541 1.00 0.63 O ATOM 1281 CB ALA B 17 -15.959 11.351 6.986 1.00 0.50 C ATOM 0 H ALA B 17 -15.761 9.967 4.408 1.00 0.36 H new ATOM 0 HA ALA B 17 -16.402 9.257 7.233 1.00 0.42 H new ATOM 0 HB1 ALA B 17 -16.614 11.662 7.800 1.00 0.50 H new ATOM 0 HB2 ALA B 17 -14.938 11.257 7.357 1.00 0.50 H new ATOM 0 HB3 ALA B 17 -15.989 12.097 6.191 1.00 0.50 H new ATOM 1287 N ARG B 18 -18.134 9.573 4.770 1.00 0.47 N ATOM 1288 CA ARG B 18 -19.509 9.660 4.195 1.00 0.48 C ATOM 1289 C ARG B 18 -19.839 8.348 3.479 1.00 0.41 C ATOM 1290 O ARG B 18 -19.062 7.850 2.689 1.00 0.37 O ATOM 1291 CB ARG B 18 -19.570 10.815 3.190 1.00 0.53 C ATOM 1292 CG ARG B 18 -19.620 12.158 3.937 1.00 0.70 C ATOM 1293 CD ARG B 18 -20.953 12.309 4.710 1.00 1.15 C ATOM 1294 NE ARG B 18 -21.528 13.675 4.484 1.00 1.96 N ATOM 1295 CZ ARG B 18 -20.789 14.751 4.581 1.00 2.64 C ATOM 1296 NH1 ARG B 18 -19.547 14.668 4.972 1.00 2.84 N ATOM 1297 NH2 ARG B 18 -21.307 15.919 4.313 1.00 3.63 N ATOM 0 H ARG B 18 -17.463 9.053 4.205 1.00 0.47 H new ATOM 0 HA ARG B 18 -20.229 9.835 4.994 1.00 0.48 H new ATOM 0 HB2 ARG B 18 -18.699 10.785 2.536 1.00 0.53 H new ATOM 0 HB3 ARG B 18 -20.449 10.710 2.555 1.00 0.53 H new ATOM 0 HG2 ARG B 18 -18.782 12.224 4.631 1.00 0.70 H new ATOM 0 HG3 ARG B 18 -19.511 12.978 3.227 1.00 0.70 H new ATOM 0 HD2 ARG B 18 -21.661 11.549 4.381 1.00 1.15 H new ATOM 0 HD3 ARG B 18 -20.785 12.148 5.775 1.00 1.15 H new ATOM 0 HE ARG B 18 -22.516 13.768 4.250 1.00 1.96 H new ATOM 0 HH11 ARG B 18 -19.145 13.760 5.205 1.00 2.84 H new ATOM 0 HH12 ARG B 18 -18.978 15.511 5.045 1.00 2.84 H new ATOM 0 HH21 ARG B 18 -22.284 15.991 4.029 1.00 3.63 H new ATOM 0 HH22 ARG B 18 -20.735 16.760 4.387 1.00 3.63 H new ATOM 1311 N LYS B 19 -20.988 7.789 3.742 1.00 0.40 N ATOM 1312 CA LYS B 19 -21.365 6.517 3.065 1.00 0.35 C ATOM 1313 C LYS B 19 -21.453 6.782 1.561 1.00 0.31 C ATOM 1314 O LYS B 19 -22.146 7.676 1.117 1.00 0.33 O ATOM 1315 CB LYS B 19 -22.722 6.037 3.617 1.00 0.38 C ATOM 1316 CG LYS B 19 -23.265 4.835 2.816 1.00 0.40 C ATOM 1317 CD LYS B 19 -24.739 4.597 3.165 1.00 0.62 C ATOM 1318 CE LYS B 19 -24.930 4.567 4.684 1.00 0.97 C ATOM 1319 NZ LYS B 19 -24.961 5.961 5.209 1.00 1.79 N ATOM 0 H LYS B 19 -21.680 8.157 4.395 1.00 0.40 H new ATOM 0 HA LYS B 19 -20.623 5.741 3.250 1.00 0.35 H new ATOM 0 HB2 LYS B 19 -22.611 5.757 4.665 1.00 0.38 H new ATOM 0 HB3 LYS B 19 -23.441 6.855 3.580 1.00 0.38 H new ATOM 0 HG2 LYS B 19 -23.161 5.023 1.747 1.00 0.40 H new ATOM 0 HG3 LYS B 19 -22.680 3.943 3.041 1.00 0.40 H new ATOM 0 HD2 LYS B 19 -25.354 5.385 2.730 1.00 0.62 H new ATOM 0 HD3 LYS B 19 -25.074 3.655 2.731 1.00 0.62 H new ATOM 0 HE2 LYS B 19 -25.858 4.052 4.934 1.00 0.97 H new ATOM 0 HE3 LYS B 19 -24.119 4.009 5.152 1.00 0.97 H new ATOM 0 HZ1 LYS B 19 -24.032 6.202 5.609 1.00 1.79 H new ATOM 0 HZ2 LYS B 19 -25.186 6.618 4.435 1.00 1.79 H new ATOM 0 HZ3 LYS B 19 -25.687 6.037 5.950 1.00 1.79 H new ATOM 1333 N LEU B 20 -20.757 6.008 0.775 1.00 0.27 N ATOM 1334 CA LEU B 20 -20.799 6.211 -0.698 1.00 0.27 C ATOM 1335 C LEU B 20 -22.157 5.713 -1.245 1.00 0.27 C ATOM 1336 O LEU B 20 -22.440 4.538 -1.125 1.00 0.27 O ATOM 1337 CB LEU B 20 -19.690 5.383 -1.349 1.00 0.24 C ATOM 1338 CG LEU B 20 -18.354 5.614 -0.638 1.00 0.23 C ATOM 1339 CD1 LEU B 20 -17.238 4.963 -1.456 1.00 0.22 C ATOM 1340 CD2 LEU B 20 -18.075 7.116 -0.510 1.00 0.27 C ATOM 0 H LEU B 20 -20.161 5.243 1.091 1.00 0.27 H new ATOM 0 HA LEU B 20 -20.667 7.270 -0.921 1.00 0.27 H new ATOM 0 HB2 LEU B 20 -19.949 4.325 -1.311 1.00 0.24 H new ATOM 0 HB3 LEU B 20 -19.599 5.652 -2.401 1.00 0.24 H new ATOM 0 HG LEU B 20 -18.397 5.175 0.359 1.00 0.23 H new ATOM 0 HD11 LEU B 20 -16.282 5.122 -0.958 1.00 0.22 H new ATOM 0 HD12 LEU B 20 -17.428 3.893 -1.544 1.00 0.22 H new ATOM 0 HD13 LEU B 20 -17.208 5.409 -2.450 1.00 0.22 H new ATOM 0 HD21 LEU B 20 -17.122 7.267 -0.003 1.00 0.27 H new ATOM 0 HD22 LEU B 20 -18.033 7.564 -1.503 1.00 0.27 H new ATOM 0 HD23 LEU B 20 -18.872 7.586 0.067 1.00 0.27 H new ATOM 1352 N PRO B 21 -22.966 6.576 -1.841 1.00 0.31 N ATOM 1353 CA PRO B 21 -24.262 6.129 -2.387 1.00 0.34 C ATOM 1354 C PRO B 21 -24.044 4.964 -3.355 1.00 0.30 C ATOM 1355 O PRO B 21 -23.051 4.903 -4.050 1.00 0.29 O ATOM 1356 CB PRO B 21 -24.830 7.363 -3.124 1.00 0.39 C ATOM 1357 CG PRO B 21 -23.941 8.576 -2.738 1.00 0.42 C ATOM 1358 CD PRO B 21 -22.691 8.021 -2.022 1.00 0.35 C ATOM 0 HA PRO B 21 -24.944 5.774 -1.615 1.00 0.34 H new ATOM 0 HB2 PRO B 21 -24.820 7.206 -4.203 1.00 0.39 H new ATOM 0 HB3 PRO B 21 -25.867 7.539 -2.838 1.00 0.39 H new ATOM 0 HG2 PRO B 21 -23.656 9.141 -3.625 1.00 0.42 H new ATOM 0 HG3 PRO B 21 -24.485 9.259 -2.086 1.00 0.42 H new ATOM 0 HD2 PRO B 21 -21.792 8.181 -2.617 1.00 0.35 H new ATOM 0 HD3 PRO B 21 -22.532 8.516 -1.064 1.00 0.35 H new ATOM 1366 N ARG B 22 -24.970 4.048 -3.421 1.00 0.31 N ATOM 1367 CA ARG B 22 -24.815 2.907 -4.364 1.00 0.30 C ATOM 1368 C ARG B 22 -24.474 3.470 -5.749 1.00 0.31 C ATOM 1369 O ARG B 22 -23.716 2.893 -6.504 1.00 0.31 O ATOM 1370 CB ARG B 22 -26.134 2.113 -4.419 1.00 0.33 C ATOM 1371 CG ARG B 22 -25.861 0.644 -4.781 1.00 0.69 C ATOM 1372 CD ARG B 22 -25.197 0.549 -6.163 1.00 1.24 C ATOM 1373 NE ARG B 22 -25.526 -0.769 -6.776 1.00 1.34 N ATOM 1374 CZ ARG B 22 -25.328 -0.963 -8.051 1.00 2.07 C ATOM 1375 NH1 ARG B 22 -24.841 -0.004 -8.789 1.00 2.89 N ATOM 1376 NH2 ARG B 22 -25.616 -2.117 -8.587 1.00 2.44 N ATOM 0 H ARG B 22 -25.825 4.041 -2.864 1.00 0.31 H new ATOM 0 HA ARG B 22 -24.019 2.240 -4.035 1.00 0.30 H new ATOM 0 HB2 ARG B 22 -26.640 2.169 -3.455 1.00 0.33 H new ATOM 0 HB3 ARG B 22 -26.803 2.557 -5.156 1.00 0.33 H new ATOM 0 HG2 ARG B 22 -25.216 0.191 -4.028 1.00 0.69 H new ATOM 0 HG3 ARG B 22 -26.795 0.083 -4.780 1.00 0.69 H new ATOM 0 HD2 ARG B 22 -25.546 1.359 -6.804 1.00 1.24 H new ATOM 0 HD3 ARG B 22 -24.117 0.660 -6.069 1.00 1.24 H new ATOM 0 HE ARG B 22 -25.906 -1.519 -6.199 1.00 1.34 H new ATOM 0 HH11 ARG B 22 -24.615 0.898 -8.369 1.00 2.89 H new ATOM 0 HH12 ARG B 22 -24.686 -0.156 -9.786 1.00 2.89 H new ATOM 0 HH21 ARG B 22 -25.996 -2.867 -8.009 1.00 2.44 H new ATOM 0 HH22 ARG B 22 -25.461 -2.269 -9.584 1.00 2.44 H new ATOM 1390 N ASN B 23 -25.027 4.607 -6.078 1.00 0.34 N ATOM 1391 CA ASN B 23 -24.742 5.227 -7.403 1.00 0.37 C ATOM 1392 C ASN B 23 -23.308 5.763 -7.422 1.00 0.37 C ATOM 1393 O ASN B 23 -22.941 6.546 -8.275 1.00 0.40 O ATOM 1394 CB ASN B 23 -25.718 6.380 -7.647 1.00 0.42 C ATOM 1395 CG ASN B 23 -25.597 6.855 -9.095 1.00 1.47 C ATOM 1396 OD1 ASN B 23 -25.501 8.038 -9.353 1.00 2.16 O ATOM 1397 ND2 ASN B 23 -25.597 5.976 -10.060 1.00 2.38 N ATOM 0 H ASN B 23 -25.666 5.134 -5.483 1.00 0.34 H new ATOM 0 HA ASN B 23 -24.859 4.477 -8.185 1.00 0.37 H new ATOM 0 HB2 ASN B 23 -26.739 6.055 -7.444 1.00 0.42 H new ATOM 0 HB3 ASN B 23 -25.503 7.202 -6.965 1.00 0.42 H new ATOM 0 HD21 ASN B 23 -25.516 6.283 -11.029 1.00 2.38 H new ATOM 0 HD22 ASN B 23 -25.678 4.982 -9.845 1.00 2.38 H new ATOM 1404 N PHE B 24 -22.495 5.351 -6.483 1.00 0.33 N ATOM 1405 CA PHE B 24 -21.080 5.840 -6.434 1.00 0.33 C ATOM 1406 C PHE B 24 -20.165 4.672 -6.055 1.00 0.30 C ATOM 1407 O PHE B 24 -19.103 4.857 -5.494 1.00 0.28 O ATOM 1408 CB PHE B 24 -20.974 6.952 -5.376 1.00 0.33 C ATOM 1409 CG PHE B 24 -19.763 7.825 -5.637 1.00 0.35 C ATOM 1410 CD1 PHE B 24 -19.660 8.550 -6.842 1.00 0.39 C ATOM 1411 CD2 PHE B 24 -18.741 7.930 -4.669 1.00 0.35 C ATOM 1412 CE1 PHE B 24 -18.543 9.369 -7.079 1.00 0.41 C ATOM 1413 CE2 PHE B 24 -17.624 8.750 -4.907 1.00 0.37 C ATOM 1414 CZ PHE B 24 -17.525 9.471 -6.112 1.00 0.41 C ATOM 0 H PHE B 24 -22.749 4.695 -5.745 1.00 0.33 H new ATOM 0 HA PHE B 24 -20.781 6.234 -7.405 1.00 0.33 H new ATOM 0 HB2 PHE B 24 -21.878 7.561 -5.390 1.00 0.33 H new ATOM 0 HB3 PHE B 24 -20.903 6.510 -4.382 1.00 0.33 H new ATOM 0 HD1 PHE B 24 -20.441 8.476 -7.584 1.00 0.39 H new ATOM 0 HD2 PHE B 24 -18.817 7.379 -3.743 1.00 0.35 H new ATOM 0 HE1 PHE B 24 -18.465 9.921 -8.004 1.00 0.41 H new ATOM 0 HE2 PHE B 24 -16.842 8.827 -4.166 1.00 0.37 H new ATOM 0 HZ PHE B 24 -16.668 10.102 -6.295 1.00 0.41 H new ATOM 1424 N VAL B 25 -20.572 3.468 -6.364 1.00 0.30 N ATOM 1425 CA VAL B 25 -19.737 2.277 -6.030 1.00 0.28 C ATOM 1426 C VAL B 25 -19.982 1.187 -7.076 1.00 0.30 C ATOM 1427 O VAL B 25 -20.835 0.337 -6.911 1.00 0.31 O ATOM 1428 CB VAL B 25 -20.127 1.743 -4.650 1.00 0.24 C ATOM 1429 CG1 VAL B 25 -19.195 0.592 -4.267 1.00 0.22 C ATOM 1430 CG2 VAL B 25 -19.999 2.857 -3.611 1.00 0.23 C ATOM 0 H VAL B 25 -21.452 3.258 -6.836 1.00 0.30 H new ATOM 0 HA VAL B 25 -18.685 2.561 -6.024 1.00 0.28 H new ATOM 0 HB VAL B 25 -21.158 1.389 -4.681 1.00 0.24 H new ATOM 0 HG11 VAL B 25 -19.472 0.211 -3.284 1.00 0.22 H new ATOM 0 HG12 VAL B 25 -19.282 -0.207 -5.003 1.00 0.22 H new ATOM 0 HG13 VAL B 25 -18.166 0.951 -4.240 1.00 0.22 H new ATOM 0 HG21 VAL B 25 -20.278 2.473 -2.630 1.00 0.23 H new ATOM 0 HG22 VAL B 25 -18.969 3.212 -3.583 1.00 0.23 H new ATOM 0 HG23 VAL B 25 -20.659 3.682 -3.879 1.00 0.23 H new ATOM 1440 N VAL B 26 -19.244 1.206 -8.153 1.00 0.33 N ATOM 1441 CA VAL B 26 -19.436 0.175 -9.209 1.00 0.36 C ATOM 1442 C VAL B 26 -18.681 -1.095 -8.827 1.00 0.35 C ATOM 1443 O VAL B 26 -18.870 -2.141 -9.416 1.00 0.37 O ATOM 1444 CB VAL B 26 -18.899 0.708 -10.535 1.00 0.41 C ATOM 1445 CG1 VAL B 26 -19.694 1.947 -10.946 1.00 0.78 C ATOM 1446 CG2 VAL B 26 -17.422 1.080 -10.378 1.00 0.61 C ATOM 0 H VAL B 26 -18.515 1.893 -8.346 1.00 0.33 H new ATOM 0 HA VAL B 26 -20.497 -0.053 -9.308 1.00 0.36 H new ATOM 0 HB VAL B 26 -19.000 -0.061 -11.301 1.00 0.41 H new ATOM 0 HG11 VAL B 26 -19.311 2.328 -11.893 1.00 0.78 H new ATOM 0 HG12 VAL B 26 -20.745 1.683 -11.060 1.00 0.78 H new ATOM 0 HG13 VAL B 26 -19.594 2.715 -10.179 1.00 0.78 H new ATOM 0 HG21 VAL B 26 -17.040 1.460 -11.325 1.00 0.61 H new ATOM 0 HG22 VAL B 26 -17.320 1.848 -9.611 1.00 0.61 H new ATOM 0 HG23 VAL B 26 -16.854 0.197 -10.086 1.00 0.61 H new ATOM 1456 N ASP B 27 -17.825 -1.016 -7.848 1.00 0.32 N ATOM 1457 CA ASP B 27 -17.063 -2.225 -7.439 1.00 0.31 C ATOM 1458 C ASP B 27 -16.324 -1.937 -6.138 1.00 0.27 C ATOM 1459 O ASP B 27 -16.514 -0.908 -5.519 1.00 0.25 O ATOM 1460 CB ASP B 27 -16.053 -2.584 -8.532 1.00 0.34 C ATOM 1461 CG ASP B 27 -15.496 -3.985 -8.273 1.00 0.35 C ATOM 1462 OD1 ASP B 27 -16.292 -4.895 -8.105 1.00 1.09 O ATOM 1463 OD2 ASP B 27 -14.284 -4.125 -8.248 1.00 1.13 O ATOM 0 H ASP B 27 -17.621 -0.170 -7.316 1.00 0.32 H new ATOM 0 HA ASP B 27 -17.749 -3.059 -7.292 1.00 0.31 H new ATOM 0 HB2 ASP B 27 -16.532 -2.547 -9.511 1.00 0.34 H new ATOM 0 HB3 ASP B 27 -15.242 -1.856 -8.546 1.00 0.34 H new ATOM 1468 N TYR B 28 -15.479 -2.835 -5.714 1.00 0.26 N ATOM 1469 CA TYR B 28 -14.728 -2.603 -4.451 1.00 0.23 C ATOM 1470 C TYR B 28 -13.441 -3.420 -4.457 1.00 0.25 C ATOM 1471 O TYR B 28 -13.102 -4.071 -5.425 1.00 0.29 O ATOM 1472 CB TYR B 28 -15.591 -2.985 -3.243 1.00 0.19 C ATOM 1473 CG TYR B 28 -15.715 -4.492 -3.120 1.00 0.21 C ATOM 1474 CD1 TYR B 28 -16.340 -5.239 -4.140 1.00 0.25 C ATOM 1475 CD2 TYR B 28 -15.215 -5.149 -1.977 1.00 0.19 C ATOM 1476 CE1 TYR B 28 -16.464 -6.635 -4.017 1.00 0.27 C ATOM 1477 CE2 TYR B 28 -15.338 -6.544 -1.853 1.00 0.22 C ATOM 1478 CZ TYR B 28 -15.963 -7.289 -2.873 1.00 0.25 C ATOM 1479 OH TYR B 28 -16.085 -8.659 -2.751 1.00 0.28 O ATOM 0 H TYR B 28 -15.277 -3.716 -6.186 1.00 0.26 H new ATOM 0 HA TYR B 28 -14.477 -1.545 -4.378 1.00 0.23 H new ATOM 0 HB2 TYR B 28 -15.151 -2.577 -2.333 1.00 0.19 H new ATOM 0 HB3 TYR B 28 -16.582 -2.542 -3.344 1.00 0.19 H new ATOM 0 HD1 TYR B 28 -16.724 -4.739 -5.017 1.00 0.25 H new ATOM 0 HD2 TYR B 28 -14.736 -4.579 -1.195 1.00 0.19 H new ATOM 0 HE1 TYR B 28 -16.943 -7.206 -4.799 1.00 0.27 H new ATOM 0 HE2 TYR B 28 -14.954 -7.044 -0.976 1.00 0.22 H new ATOM 0 HH TYR B 28 -15.687 -8.949 -1.904 1.00 0.28 H new ATOM 1489 N TYR B 29 -12.720 -3.370 -3.382 1.00 0.23 N ATOM 1490 CA TYR B 29 -11.440 -4.113 -3.299 1.00 0.25 C ATOM 1491 C TYR B 29 -11.057 -4.256 -1.820 1.00 0.22 C ATOM 1492 O TYR B 29 -11.143 -3.318 -1.062 1.00 0.23 O ATOM 1493 CB TYR B 29 -10.375 -3.316 -4.072 1.00 0.29 C ATOM 1494 CG TYR B 29 -8.982 -3.718 -3.641 1.00 0.31 C ATOM 1495 CD1 TYR B 29 -8.569 -5.054 -3.774 1.00 0.36 C ATOM 1496 CD2 TYR B 29 -8.104 -2.755 -3.104 1.00 0.35 C ATOM 1497 CE1 TYR B 29 -7.275 -5.434 -3.369 1.00 0.39 C ATOM 1498 CE2 TYR B 29 -6.809 -3.134 -2.700 1.00 0.38 C ATOM 1499 CZ TYR B 29 -6.395 -4.474 -2.832 1.00 0.36 C ATOM 1500 OH TYR B 29 -5.126 -4.846 -2.436 1.00 0.39 O ATOM 0 H TYR B 29 -12.965 -2.840 -2.546 1.00 0.23 H new ATOM 0 HA TYR B 29 -11.524 -5.109 -3.735 1.00 0.25 H new ATOM 0 HB2 TYR B 29 -10.493 -3.487 -5.142 1.00 0.29 H new ATOM 0 HB3 TYR B 29 -10.519 -2.249 -3.902 1.00 0.29 H new ATOM 0 HD1 TYR B 29 -9.244 -5.789 -4.187 1.00 0.36 H new ATOM 0 HD2 TYR B 29 -8.424 -1.728 -3.002 1.00 0.35 H new ATOM 0 HE1 TYR B 29 -6.957 -6.461 -3.470 1.00 0.39 H new ATOM 0 HE2 TYR B 29 -6.134 -2.398 -2.289 1.00 0.38 H new ATOM 0 HH TYR B 29 -4.649 -4.063 -2.089 1.00 0.39 H new ATOM 1510 N GLU B 30 -10.638 -5.418 -1.399 1.00 0.22 N ATOM 1511 CA GLU B 30 -10.255 -5.592 0.036 1.00 0.20 C ATOM 1512 C GLU B 30 -8.755 -5.324 0.193 1.00 0.21 C ATOM 1513 O GLU B 30 -7.991 -5.440 -0.744 1.00 0.24 O ATOM 1514 CB GLU B 30 -10.575 -7.021 0.483 1.00 0.22 C ATOM 1515 CG GLU B 30 -12.078 -7.154 0.748 1.00 0.25 C ATOM 1516 CD GLU B 30 -12.389 -8.575 1.221 1.00 0.69 C ATOM 1517 OE1 GLU B 30 -11.594 -9.458 0.945 1.00 1.43 O ATOM 1518 OE2 GLU B 30 -13.417 -8.755 1.854 1.00 1.35 O ATOM 0 H GLU B 30 -10.544 -6.251 -1.980 1.00 0.22 H new ATOM 0 HA GLU B 30 -10.817 -4.891 0.653 1.00 0.20 H new ATOM 0 HB2 GLU B 30 -10.267 -7.730 -0.285 1.00 0.22 H new ATOM 0 HB3 GLU B 30 -10.014 -7.265 1.385 1.00 0.22 H new ATOM 0 HG2 GLU B 30 -12.390 -6.432 1.502 1.00 0.25 H new ATOM 0 HG3 GLU B 30 -12.639 -6.930 -0.159 1.00 0.25 H new ATOM 1525 N THR B 31 -8.334 -4.956 1.370 1.00 0.19 N ATOM 1526 CA THR B 31 -6.889 -4.663 1.599 1.00 0.21 C ATOM 1527 C THR B 31 -6.081 -5.960 1.605 1.00 0.25 C ATOM 1528 O THR B 31 -6.541 -6.999 1.175 1.00 0.27 O ATOM 1529 CB THR B 31 -6.731 -3.979 2.955 1.00 0.20 C ATOM 1530 OG1 THR B 31 -7.387 -4.762 3.938 1.00 0.21 O ATOM 1531 CG2 THR B 31 -7.347 -2.580 2.900 1.00 0.20 C ATOM 0 H THR B 31 -8.931 -4.844 2.189 1.00 0.19 H new ATOM 0 HA THR B 31 -6.525 -4.017 0.800 1.00 0.21 H new ATOM 0 HB THR B 31 -5.675 -3.886 3.206 1.00 0.20 H new ATOM 0 HG1 THR B 31 -7.446 -5.691 3.631 1.00 0.21 H new ATOM 0 HG21 THR B 31 -7.233 -2.094 3.869 1.00 0.20 H new ATOM 0 HG22 THR B 31 -6.841 -1.990 2.136 1.00 0.20 H new ATOM 0 HG23 THR B 31 -8.406 -2.658 2.656 1.00 0.20 H new ATOM 1539 N SER B 32 -4.876 -5.898 2.102 1.00 0.27 N ATOM 1540 CA SER B 32 -4.015 -7.109 2.159 1.00 0.31 C ATOM 1541 C SER B 32 -4.302 -7.878 3.446 1.00 0.33 C ATOM 1542 O SER B 32 -5.422 -7.945 3.913 1.00 0.33 O ATOM 1543 CB SER B 32 -2.549 -6.682 2.149 1.00 0.33 C ATOM 1544 OG SER B 32 -2.318 -5.817 1.045 1.00 1.27 O ATOM 0 H SER B 32 -4.449 -5.050 2.474 1.00 0.27 H new ATOM 0 HA SER B 32 -4.223 -7.745 1.299 1.00 0.31 H new ATOM 0 HB2 SER B 32 -2.300 -6.175 3.081 1.00 0.33 H new ATOM 0 HB3 SER B 32 -1.904 -7.558 2.080 1.00 0.33 H new ATOM 0 HG SER B 32 -1.639 -6.210 0.458 1.00 1.27 H new ATOM 1550 N SER B 33 -3.287 -8.453 4.022 1.00 0.36 N ATOM 1551 CA SER B 33 -3.459 -9.226 5.289 1.00 0.40 C ATOM 1552 C SER B 33 -2.224 -9.016 6.156 1.00 0.40 C ATOM 1553 O SER B 33 -2.301 -8.933 7.366 1.00 0.42 O ATOM 1554 CB SER B 33 -3.588 -10.708 4.957 1.00 0.46 C ATOM 1555 OG SER B 33 -2.293 -11.256 4.747 1.00 0.48 O ATOM 0 H SER B 33 -2.331 -8.422 3.667 1.00 0.36 H new ATOM 0 HA SER B 33 -4.352 -8.889 5.816 1.00 0.40 H new ATOM 0 HB2 SER B 33 -4.090 -11.232 5.770 1.00 0.46 H new ATOM 0 HB3 SER B 33 -4.201 -10.841 4.065 1.00 0.46 H new ATOM 0 HG SER B 33 -2.372 -12.210 4.535 1.00 0.48 H new ATOM 1561 N LEU B 34 -1.083 -8.935 5.528 1.00 0.39 N ATOM 1562 CA LEU B 34 0.199 -8.730 6.266 1.00 0.39 C ATOM 1563 C LEU B 34 -0.002 -7.737 7.412 1.00 0.37 C ATOM 1564 O LEU B 34 0.251 -8.035 8.562 1.00 0.40 O ATOM 1565 CB LEU B 34 1.255 -8.175 5.305 1.00 0.36 C ATOM 1566 CG LEU B 34 1.166 -8.886 3.953 1.00 0.39 C ATOM 1567 CD1 LEU B 34 2.338 -8.452 3.070 1.00 0.40 C ATOM 1568 CD2 LEU B 34 1.214 -10.404 4.165 1.00 0.45 C ATOM 0 H LEU B 34 -0.982 -9.003 4.515 1.00 0.39 H new ATOM 0 HA LEU B 34 0.528 -9.686 6.673 1.00 0.39 H new ATOM 0 HB2 LEU B 34 1.108 -7.103 5.171 1.00 0.36 H new ATOM 0 HB3 LEU B 34 2.250 -8.309 5.730 1.00 0.36 H new ATOM 0 HG LEU B 34 0.228 -8.621 3.465 1.00 0.39 H new ATOM 0 HD11 LEU B 34 2.275 -8.958 2.107 1.00 0.40 H new ATOM 0 HD12 LEU B 34 2.298 -7.374 2.916 1.00 0.40 H new ATOM 0 HD13 LEU B 34 3.277 -8.714 3.557 1.00 0.40 H new ATOM 0 HD21 LEU B 34 1.150 -10.908 3.201 1.00 0.45 H new ATOM 0 HD22 LEU B 34 2.150 -10.674 4.654 1.00 0.45 H new ATOM 0 HD23 LEU B 34 0.376 -10.711 4.791 1.00 0.45 H new ATOM 1580 N CYS B 35 -0.453 -6.556 7.100 1.00 0.33 N ATOM 1581 CA CYS B 35 -0.667 -5.541 8.165 1.00 0.34 C ATOM 1582 C CYS B 35 -1.864 -5.958 9.027 1.00 0.39 C ATOM 1583 O CYS B 35 -2.915 -6.296 8.527 1.00 0.39 O ATOM 1584 CB CYS B 35 -0.925 -4.171 7.525 1.00 0.32 C ATOM 1585 SG CYS B 35 -1.971 -4.363 6.062 1.00 0.40 S ATOM 0 H CYS B 35 -0.682 -6.250 6.154 1.00 0.33 H new ATOM 0 HA CYS B 35 0.220 -5.473 8.795 1.00 0.34 H new ATOM 0 HB2 CYS B 35 -1.408 -3.509 8.244 1.00 0.32 H new ATOM 0 HB3 CYS B 35 0.021 -3.705 7.248 1.00 0.32 H new ATOM 1590 N SER B 36 -1.697 -5.961 10.320 1.00 0.44 N ATOM 1591 CA SER B 36 -2.808 -6.373 11.229 1.00 0.51 C ATOM 1592 C SER B 36 -3.978 -5.376 11.174 1.00 0.51 C ATOM 1593 O SER B 36 -4.661 -5.180 12.159 1.00 0.58 O ATOM 1594 CB SER B 36 -2.281 -6.447 12.662 1.00 0.59 C ATOM 1595 OG SER B 36 -1.675 -5.208 13.005 1.00 1.41 O ATOM 0 H SER B 36 -0.833 -5.694 10.791 1.00 0.44 H new ATOM 0 HA SER B 36 -3.173 -7.347 10.903 1.00 0.51 H new ATOM 0 HB2 SER B 36 -3.096 -6.669 13.350 1.00 0.59 H new ATOM 0 HB3 SER B 36 -1.557 -7.257 12.754 1.00 0.59 H new ATOM 0 HG SER B 36 -1.338 -5.252 13.924 1.00 1.41 H new ATOM 1601 N GLN B 37 -4.230 -4.739 10.056 1.00 0.45 N ATOM 1602 CA GLN B 37 -5.372 -3.770 10.012 1.00 0.47 C ATOM 1603 C GLN B 37 -5.916 -3.621 8.583 1.00 0.36 C ATOM 1604 O GLN B 37 -5.815 -2.559 8.003 1.00 0.35 O ATOM 1605 CB GLN B 37 -4.890 -2.405 10.513 1.00 0.55 C ATOM 1606 CG GLN B 37 -3.546 -2.064 9.863 1.00 0.78 C ATOM 1607 CD GLN B 37 -3.108 -0.664 10.298 1.00 0.79 C ATOM 1608 OE1 GLN B 37 -1.949 -0.439 10.583 1.00 1.24 O ATOM 1609 NE2 GLN B 37 -3.994 0.292 10.362 1.00 1.48 N ATOM 0 H GLN B 37 -3.706 -4.844 9.187 1.00 0.45 H new ATOM 0 HA GLN B 37 -6.173 -4.148 10.648 1.00 0.47 H new ATOM 0 HB2 GLN B 37 -5.626 -1.638 10.273 1.00 0.55 H new ATOM 0 HB3 GLN B 37 -4.787 -2.420 11.598 1.00 0.55 H new ATOM 0 HG2 GLN B 37 -2.794 -2.798 10.152 1.00 0.78 H new ATOM 0 HG3 GLN B 37 -3.634 -2.108 8.777 1.00 0.78 H new ATOM 0 HE21 GLN B 37 -4.967 0.102 10.122 1.00 1.48 H new ATOM 0 HE22 GLN B 37 -3.713 1.229 10.651 1.00 1.48 H new ATOM 1618 N PRO B 38 -6.499 -4.676 8.055 1.00 0.34 N ATOM 1619 CA PRO B 38 -7.080 -4.639 6.699 1.00 0.26 C ATOM 1620 C PRO B 38 -8.344 -3.762 6.713 1.00 0.25 C ATOM 1621 O PRO B 38 -8.755 -3.260 7.741 1.00 0.27 O ATOM 1622 CB PRO B 38 -7.431 -6.112 6.383 1.00 0.33 C ATOM 1623 CG PRO B 38 -7.255 -6.923 7.701 1.00 0.43 C ATOM 1624 CD PRO B 38 -6.621 -5.979 8.746 1.00 0.43 C ATOM 0 HA PRO B 38 -6.405 -4.219 5.953 1.00 0.26 H new ATOM 0 HB2 PRO B 38 -8.454 -6.193 6.016 1.00 0.33 H new ATOM 0 HB3 PRO B 38 -6.780 -6.503 5.601 1.00 0.33 H new ATOM 0 HG2 PRO B 38 -8.217 -7.295 8.054 1.00 0.43 H new ATOM 0 HG3 PRO B 38 -6.619 -7.792 7.534 1.00 0.43 H new ATOM 0 HD2 PRO B 38 -7.245 -5.898 9.636 1.00 0.43 H new ATOM 0 HD3 PRO B 38 -5.648 -6.346 9.072 1.00 0.43 H new ATOM 1632 N ALA B 39 -8.959 -3.590 5.581 1.00 0.23 N ATOM 1633 CA ALA B 39 -10.194 -2.770 5.502 1.00 0.22 C ATOM 1634 C ALA B 39 -10.832 -3.003 4.136 1.00 0.19 C ATOM 1635 O ALA B 39 -10.234 -3.605 3.266 1.00 0.22 O ATOM 1636 CB ALA B 39 -9.840 -1.288 5.652 1.00 0.23 C ATOM 0 H ALA B 39 -8.653 -3.989 4.694 1.00 0.23 H new ATOM 0 HA ALA B 39 -10.884 -3.051 6.298 1.00 0.22 H new ATOM 0 HB1 ALA B 39 -10.749 -0.689 5.593 1.00 0.23 H new ATOM 0 HB2 ALA B 39 -9.359 -1.125 6.616 1.00 0.23 H new ATOM 0 HB3 ALA B 39 -9.160 -0.994 4.853 1.00 0.23 H new ATOM 1642 N VAL B 40 -12.027 -2.520 3.924 1.00 0.15 N ATOM 1643 CA VAL B 40 -12.680 -2.704 2.593 1.00 0.13 C ATOM 1644 C VAL B 40 -12.481 -1.417 1.796 1.00 0.13 C ATOM 1645 O VAL B 40 -12.564 -0.327 2.325 1.00 0.18 O ATOM 1646 CB VAL B 40 -14.178 -2.987 2.779 1.00 0.12 C ATOM 1647 CG1 VAL B 40 -14.921 -2.770 1.456 1.00 0.12 C ATOM 1648 CG2 VAL B 40 -14.359 -4.440 3.218 1.00 0.16 C ATOM 0 H VAL B 40 -12.579 -2.007 4.612 1.00 0.15 H new ATOM 0 HA VAL B 40 -12.239 -3.549 2.064 1.00 0.13 H new ATOM 0 HB VAL B 40 -14.581 -2.311 3.533 1.00 0.12 H new ATOM 0 HG11 VAL B 40 -15.983 -2.973 1.597 1.00 0.12 H new ATOM 0 HG12 VAL B 40 -14.789 -1.738 1.130 1.00 0.12 H new ATOM 0 HG13 VAL B 40 -14.520 -3.444 0.699 1.00 0.12 H new ATOM 0 HG21 VAL B 40 -15.420 -4.650 3.353 1.00 0.16 H new ATOM 0 HG22 VAL B 40 -13.952 -5.104 2.456 1.00 0.16 H new ATOM 0 HG23 VAL B 40 -13.835 -4.604 4.159 1.00 0.16 H new ATOM 1658 N VAL B 41 -12.202 -1.548 0.529 1.00 0.15 N ATOM 1659 CA VAL B 41 -11.969 -0.348 -0.337 1.00 0.16 C ATOM 1660 C VAL B 41 -13.055 -0.279 -1.413 1.00 0.16 C ATOM 1661 O VAL B 41 -13.160 -1.144 -2.254 1.00 0.18 O ATOM 1662 CB VAL B 41 -10.593 -0.483 -0.992 1.00 0.21 C ATOM 1663 CG1 VAL B 41 -10.136 0.868 -1.531 1.00 0.25 C ATOM 1664 CG2 VAL B 41 -9.585 -0.972 0.051 1.00 0.23 C ATOM 0 H VAL B 41 -12.124 -2.444 0.047 1.00 0.15 H new ATOM 0 HA VAL B 41 -12.006 0.563 0.260 1.00 0.16 H new ATOM 0 HB VAL B 41 -10.657 -1.195 -1.814 1.00 0.21 H new ATOM 0 HG11 VAL B 41 -9.156 0.762 -1.995 1.00 0.25 H new ATOM 0 HG12 VAL B 41 -10.852 1.225 -2.272 1.00 0.25 H new ATOM 0 HG13 VAL B 41 -10.074 1.584 -0.712 1.00 0.25 H new ATOM 0 HG21 VAL B 41 -8.602 -1.070 -0.411 1.00 0.23 H new ATOM 0 HG22 VAL B 41 -9.531 -0.254 0.870 1.00 0.23 H new ATOM 0 HG23 VAL B 41 -9.902 -1.940 0.438 1.00 0.23 H new ATOM 1674 N PHE B 42 -13.869 0.741 -1.393 1.00 0.15 N ATOM 1675 CA PHE B 42 -14.951 0.848 -2.416 1.00 0.17 C ATOM 1676 C PHE B 42 -14.429 1.580 -3.653 1.00 0.21 C ATOM 1677 O PHE B 42 -13.783 2.605 -3.557 1.00 0.23 O ATOM 1678 CB PHE B 42 -16.132 1.637 -1.839 1.00 0.16 C ATOM 1679 CG PHE B 42 -16.902 0.779 -0.858 1.00 0.14 C ATOM 1680 CD1 PHE B 42 -17.563 -0.383 -1.304 1.00 0.14 C ATOM 1681 CD2 PHE B 42 -16.967 1.147 0.501 1.00 0.13 C ATOM 1682 CE1 PHE B 42 -18.286 -1.175 -0.392 1.00 0.14 C ATOM 1683 CE2 PHE B 42 -17.692 0.355 1.411 1.00 0.14 C ATOM 1684 CZ PHE B 42 -18.351 -0.807 0.965 1.00 0.14 C ATOM 0 H PHE B 42 -13.833 1.503 -0.716 1.00 0.15 H new ATOM 0 HA PHE B 42 -15.273 -0.156 -2.691 1.00 0.17 H new ATOM 0 HB2 PHE B 42 -15.770 2.536 -1.341 1.00 0.16 H new ATOM 0 HB3 PHE B 42 -16.790 1.962 -2.645 1.00 0.16 H new ATOM 0 HD1 PHE B 42 -17.515 -0.666 -2.345 1.00 0.14 H new ATOM 0 HD2 PHE B 42 -16.460 2.037 0.844 1.00 0.13 H new ATOM 0 HE1 PHE B 42 -18.791 -2.066 -0.734 1.00 0.14 H new ATOM 0 HE2 PHE B 42 -17.743 0.639 2.452 1.00 0.14 H new ATOM 0 HZ PHE B 42 -18.906 -1.415 1.664 1.00 0.14 H new ATOM 1694 N GLN B 43 -14.727 1.069 -4.819 1.00 0.24 N ATOM 1695 CA GLN B 43 -14.280 1.735 -6.078 1.00 0.28 C ATOM 1696 C GLN B 43 -15.443 2.591 -6.582 1.00 0.30 C ATOM 1697 O GLN B 43 -16.532 2.088 -6.789 1.00 0.30 O ATOM 1698 CB GLN B 43 -13.915 0.664 -7.107 1.00 0.32 C ATOM 1699 CG GLN B 43 -12.689 -0.115 -6.621 1.00 0.32 C ATOM 1700 CD GLN B 43 -12.499 -1.360 -7.488 1.00 0.58 C ATOM 1701 OE1 GLN B 43 -12.338 -2.450 -6.978 1.00 1.29 O ATOM 1702 NE2 GLN B 43 -12.510 -1.242 -8.788 1.00 1.31 N ATOM 0 H GLN B 43 -15.265 0.213 -4.954 1.00 0.24 H new ATOM 0 HA GLN B 43 -13.404 2.361 -5.908 1.00 0.28 H new ATOM 0 HB2 GLN B 43 -14.755 -0.015 -7.255 1.00 0.32 H new ATOM 0 HB3 GLN B 43 -13.706 1.127 -8.071 1.00 0.32 H new ATOM 0 HG2 GLN B 43 -11.801 0.515 -6.671 1.00 0.32 H new ATOM 0 HG3 GLN B 43 -12.817 -0.402 -5.577 1.00 0.32 H new ATOM 0 HE21 GLN B 43 -12.645 -0.326 -9.216 1.00 1.31 H new ATOM 0 HE22 GLN B 43 -12.383 -2.066 -9.376 1.00 1.31 H new ATOM 1711 N THR B 44 -15.250 3.889 -6.732 1.00 0.32 N ATOM 1712 CA THR B 44 -16.400 4.766 -7.162 1.00 0.34 C ATOM 1713 C THR B 44 -16.359 5.088 -8.656 1.00 0.39 C ATOM 1714 O THR B 44 -15.800 4.361 -9.454 1.00 0.41 O ATOM 1715 CB THR B 44 -16.350 6.075 -6.377 1.00 0.34 C ATOM 1716 OG1 THR B 44 -15.419 6.952 -6.990 1.00 0.38 O ATOM 1717 CG2 THR B 44 -15.911 5.779 -4.944 1.00 0.29 C ATOM 0 H THR B 44 -14.364 4.371 -6.579 1.00 0.32 H new ATOM 0 HA THR B 44 -17.322 4.220 -6.962 1.00 0.34 H new ATOM 0 HB THR B 44 -17.335 6.543 -6.368 1.00 0.34 H new ATOM 0 HG1 THR B 44 -15.749 7.873 -6.931 1.00 0.38 H new ATOM 0 HG21 THR B 44 -15.872 6.708 -4.376 1.00 0.29 H new ATOM 0 HG22 THR B 44 -16.624 5.098 -4.478 1.00 0.29 H new ATOM 0 HG23 THR B 44 -14.923 5.319 -4.954 1.00 0.29 H new ATOM 1725 N LYS B 45 -16.985 6.184 -9.029 1.00 0.43 N ATOM 1726 CA LYS B 45 -17.045 6.600 -10.466 1.00 0.48 C ATOM 1727 C LYS B 45 -16.308 7.932 -10.667 1.00 0.51 C ATOM 1728 O LYS B 45 -15.861 8.235 -11.755 1.00 0.56 O ATOM 1729 CB LYS B 45 -18.515 6.789 -10.866 1.00 0.50 C ATOM 1730 CG LYS B 45 -19.359 5.626 -10.341 1.00 0.46 C ATOM 1731 CD LYS B 45 -20.820 5.844 -10.746 1.00 0.49 C ATOM 1732 CE LYS B 45 -21.648 4.604 -10.398 1.00 0.54 C ATOM 1733 NZ LYS B 45 -23.093 4.966 -10.368 1.00 1.55 N ATOM 0 H LYS B 45 -17.463 6.815 -8.386 1.00 0.43 H new ATOM 0 HA LYS B 45 -16.573 5.832 -11.079 1.00 0.48 H new ATOM 0 HB2 LYS B 45 -18.890 7.730 -10.465 1.00 0.50 H new ATOM 0 HB3 LYS B 45 -18.599 6.848 -11.951 1.00 0.50 H new ATOM 0 HG2 LYS B 45 -18.993 4.683 -10.747 1.00 0.46 H new ATOM 0 HG3 LYS B 45 -19.275 5.560 -9.256 1.00 0.46 H new ATOM 0 HD2 LYS B 45 -21.223 6.717 -10.232 1.00 0.49 H new ATOM 0 HD3 LYS B 45 -20.884 6.046 -11.815 1.00 0.49 H new ATOM 0 HE2 LYS B 45 -21.474 3.819 -11.134 1.00 0.54 H new ATOM 0 HE3 LYS B 45 -21.341 4.208 -9.430 1.00 0.54 H new ATOM 0 HZ1 LYS B 45 -23.634 4.197 -9.923 1.00 1.55 H new ATOM 0 HZ2 LYS B 45 -23.220 5.841 -9.821 1.00 1.55 H new ATOM 0 HZ3 LYS B 45 -23.434 5.113 -11.339 1.00 1.55 H new ATOM 1747 N ARG B 46 -16.190 8.734 -9.631 1.00 0.50 N ATOM 1748 CA ARG B 46 -15.492 10.061 -9.759 1.00 0.54 C ATOM 1749 C ARG B 46 -14.289 10.076 -8.818 1.00 0.49 C ATOM 1750 O ARG B 46 -13.966 11.068 -8.201 1.00 0.48 O ATOM 1751 CB ARG B 46 -16.478 11.191 -9.392 1.00 0.59 C ATOM 1752 CG ARG B 46 -16.009 12.564 -9.952 1.00 0.72 C ATOM 1753 CD ARG B 46 -15.102 13.320 -8.950 1.00 0.92 C ATOM 1754 NE ARG B 46 -15.446 14.779 -8.971 1.00 1.48 N ATOM 1755 CZ ARG B 46 -15.572 15.433 -10.095 1.00 2.13 C ATOM 1756 NH1 ARG B 46 -15.241 14.875 -11.228 1.00 2.62 N ATOM 1757 NH2 ARG B 46 -15.984 16.671 -10.081 1.00 2.82 N ATOM 0 H ARG B 46 -16.548 8.527 -8.699 1.00 0.50 H new ATOM 0 HA ARG B 46 -15.149 10.214 -10.782 1.00 0.54 H new ATOM 0 HB2 ARG B 46 -17.466 10.955 -9.787 1.00 0.59 H new ATOM 0 HB3 ARG B 46 -16.574 11.253 -8.308 1.00 0.59 H new ATOM 0 HG2 ARG B 46 -15.468 12.409 -10.885 1.00 0.72 H new ATOM 0 HG3 ARG B 46 -16.880 13.176 -10.186 1.00 0.72 H new ATOM 0 HD2 ARG B 46 -15.236 12.918 -7.946 1.00 0.92 H new ATOM 0 HD3 ARG B 46 -14.054 13.178 -9.213 1.00 0.92 H new ATOM 0 HE ARG B 46 -15.585 15.272 -8.089 1.00 1.48 H new ATOM 0 HH11 ARG B 46 -14.881 13.921 -11.241 1.00 2.62 H new ATOM 0 HH12 ARG B 46 -15.343 15.393 -12.101 1.00 2.62 H new ATOM 0 HH21 ARG B 46 -16.206 17.125 -9.195 1.00 2.82 H new ATOM 0 HH22 ARG B 46 -16.084 17.185 -10.956 1.00 2.82 H new ATOM 1771 N SER B 47 -13.612 8.970 -8.723 1.00 0.46 N ATOM 1772 CA SER B 47 -12.420 8.882 -7.855 1.00 0.42 C ATOM 1773 C SER B 47 -11.662 7.627 -8.266 1.00 0.42 C ATOM 1774 O SER B 47 -11.323 7.446 -9.419 1.00 0.46 O ATOM 1775 CB SER B 47 -12.838 8.799 -6.381 1.00 0.38 C ATOM 1776 OG SER B 47 -13.356 7.507 -6.103 1.00 1.07 O ATOM 0 H SER B 47 -13.842 8.110 -9.221 1.00 0.46 H new ATOM 0 HA SER B 47 -11.792 9.766 -7.966 1.00 0.42 H new ATOM 0 HB2 SER B 47 -11.982 9.004 -5.738 1.00 0.38 H new ATOM 0 HB3 SER B 47 -13.590 9.558 -6.163 1.00 0.38 H new ATOM 0 HG SER B 47 -14.237 7.411 -6.522 1.00 1.07 H new ATOM 1782 N LYS B 48 -11.422 6.750 -7.354 1.00 0.38 N ATOM 1783 CA LYS B 48 -10.722 5.490 -7.701 1.00 0.40 C ATOM 1784 C LYS B 48 -10.963 4.488 -6.581 1.00 0.35 C ATOM 1785 O LYS B 48 -11.733 3.564 -6.724 1.00 0.34 O ATOM 1786 CB LYS B 48 -9.208 5.727 -7.915 1.00 0.44 C ATOM 1787 CG LYS B 48 -8.728 6.974 -7.163 1.00 1.11 C ATOM 1788 CD LYS B 48 -7.195 7.049 -7.268 1.00 1.38 C ATOM 1789 CE LYS B 48 -6.683 8.430 -6.833 1.00 2.13 C ATOM 1790 NZ LYS B 48 -5.358 8.681 -7.468 1.00 2.73 N ATOM 0 H LYS B 48 -11.680 6.846 -6.372 1.00 0.38 H new ATOM 0 HA LYS B 48 -11.115 5.101 -8.640 1.00 0.40 H new ATOM 0 HB2 LYS B 48 -8.649 4.856 -7.573 1.00 0.44 H new ATOM 0 HB3 LYS B 48 -9.002 5.840 -8.979 1.00 0.44 H new ATOM 0 HG2 LYS B 48 -9.181 7.870 -7.588 1.00 1.11 H new ATOM 0 HG3 LYS B 48 -9.034 6.927 -6.118 1.00 1.11 H new ATOM 0 HD2 LYS B 48 -6.745 6.277 -6.644 1.00 1.38 H new ATOM 0 HD3 LYS B 48 -6.886 6.849 -8.294 1.00 1.38 H new ATOM 0 HE2 LYS B 48 -7.393 9.204 -7.126 1.00 2.13 H new ATOM 0 HE3 LYS B 48 -6.594 8.473 -5.747 1.00 2.13 H new ATOM 0 HZ1 LYS B 48 -5.005 9.615 -7.177 1.00 2.73 H new ATOM 0 HZ2 LYS B 48 -4.685 7.948 -7.167 1.00 2.73 H new ATOM 0 HZ3 LYS B 48 -5.459 8.655 -8.503 1.00 2.73 H new ATOM 1804 N GLN B 49 -10.303 4.672 -5.467 1.00 0.33 N ATOM 1805 CA GLN B 49 -10.462 3.739 -4.311 1.00 0.30 C ATOM 1806 C GLN B 49 -10.736 4.543 -3.029 1.00 0.25 C ATOM 1807 O GLN B 49 -10.199 5.616 -2.822 1.00 0.26 O ATOM 1808 CB GLN B 49 -9.154 2.938 -4.157 1.00 0.35 C ATOM 1809 CG GLN B 49 -9.237 1.630 -4.955 1.00 0.82 C ATOM 1810 CD GLN B 49 -7.867 0.948 -4.959 1.00 0.89 C ATOM 1811 OE1 GLN B 49 -7.690 -0.081 -5.579 1.00 1.53 O ATOM 1812 NE2 GLN B 49 -6.884 1.482 -4.287 1.00 1.52 N ATOM 0 H GLN B 49 -9.651 5.440 -5.307 1.00 0.33 H new ATOM 0 HA GLN B 49 -11.299 3.063 -4.483 1.00 0.30 H new ATOM 0 HB2 GLN B 49 -8.311 3.533 -4.507 1.00 0.35 H new ATOM 0 HB3 GLN B 49 -8.974 2.720 -3.104 1.00 0.35 H new ATOM 0 HG2 GLN B 49 -9.983 0.969 -4.514 1.00 0.82 H new ATOM 0 HG3 GLN B 49 -9.557 1.834 -5.977 1.00 0.82 H new ATOM 0 HE21 GLN B 49 -7.033 2.346 -3.766 1.00 1.52 H new ATOM 0 HE22 GLN B 49 -5.967 1.035 -4.283 1.00 1.52 H new ATOM 1821 N VAL B 50 -11.565 4.016 -2.164 1.00 0.23 N ATOM 1822 CA VAL B 50 -11.881 4.714 -0.880 1.00 0.19 C ATOM 1823 C VAL B 50 -11.930 3.681 0.239 1.00 0.16 C ATOM 1824 O VAL B 50 -12.686 2.736 0.185 1.00 0.15 O ATOM 1825 CB VAL B 50 -13.236 5.418 -0.990 1.00 0.22 C ATOM 1826 CG1 VAL B 50 -13.445 6.315 0.233 1.00 0.24 C ATOM 1827 CG2 VAL B 50 -13.261 6.267 -2.265 1.00 0.31 C ATOM 0 H VAL B 50 -12.041 3.123 -2.294 1.00 0.23 H new ATOM 0 HA VAL B 50 -11.114 5.458 -0.667 1.00 0.19 H new ATOM 0 HB VAL B 50 -14.034 4.677 -1.032 1.00 0.22 H new ATOM 0 HG11 VAL B 50 -14.410 6.817 0.156 1.00 0.24 H new ATOM 0 HG12 VAL B 50 -13.424 5.707 1.138 1.00 0.24 H new ATOM 0 HG13 VAL B 50 -12.651 7.060 0.278 1.00 0.24 H new ATOM 0 HG21 VAL B 50 -14.224 6.771 -2.348 1.00 0.31 H new ATOM 0 HG22 VAL B 50 -12.465 7.011 -2.223 1.00 0.31 H new ATOM 0 HG23 VAL B 50 -13.111 5.625 -3.133 1.00 0.31 H new ATOM 1837 N CYS B 51 -11.127 3.850 1.251 1.00 0.16 N ATOM 1838 CA CYS B 51 -11.118 2.866 2.366 1.00 0.15 C ATOM 1839 C CYS B 51 -12.391 3.026 3.193 1.00 0.14 C ATOM 1840 O CYS B 51 -12.961 4.095 3.275 1.00 0.16 O ATOM 1841 CB CYS B 51 -9.898 3.125 3.250 1.00 0.17 C ATOM 1842 SG CYS B 51 -8.389 2.750 2.323 1.00 0.21 S ATOM 0 H CYS B 51 -10.476 4.628 1.354 1.00 0.16 H new ATOM 0 HA CYS B 51 -11.073 1.853 1.965 1.00 0.15 H new ATOM 0 HB2 CYS B 51 -9.887 4.165 3.578 1.00 0.17 H new ATOM 0 HB3 CYS B 51 -9.949 2.509 4.148 1.00 0.17 H new ATOM 1847 N ALA B 52 -12.848 1.961 3.798 1.00 0.12 N ATOM 1848 CA ALA B 52 -14.095 2.033 4.615 1.00 0.13 C ATOM 1849 C ALA B 52 -13.948 1.144 5.852 1.00 0.15 C ATOM 1850 O ALA B 52 -13.485 0.022 5.774 1.00 0.15 O ATOM 1851 CB ALA B 52 -15.275 1.541 3.777 1.00 0.11 C ATOM 0 H ALA B 52 -12.409 1.041 3.761 1.00 0.12 H new ATOM 0 HA ALA B 52 -14.268 3.063 4.926 1.00 0.13 H new ATOM 0 HB1 ALA B 52 -16.188 1.592 4.370 1.00 0.11 H new ATOM 0 HB2 ALA B 52 -15.381 2.170 2.893 1.00 0.11 H new ATOM 0 HB3 ALA B 52 -15.098 0.510 3.470 1.00 0.11 H new ATOM 1857 N ASP B 53 -14.337 1.643 6.992 1.00 0.18 N ATOM 1858 CA ASP B 53 -14.224 0.843 8.245 1.00 0.22 C ATOM 1859 C ASP B 53 -15.237 -0.335 8.195 1.00 0.21 C ATOM 1860 O ASP B 53 -16.426 -0.085 8.147 1.00 0.22 O ATOM 1861 CB ASP B 53 -14.556 1.753 9.439 1.00 0.27 C ATOM 1862 CG ASP B 53 -15.626 2.769 9.029 1.00 1.35 C ATOM 1863 OD1 ASP B 53 -16.421 2.444 8.162 1.00 2.10 O ATOM 1864 OD2 ASP B 53 -15.633 3.852 9.590 1.00 2.17 O ATOM 0 H ASP B 53 -14.731 2.576 7.111 1.00 0.18 H new ATOM 0 HA ASP B 53 -13.214 0.446 8.348 1.00 0.22 H new ATOM 0 HB2 ASP B 53 -14.911 1.154 10.278 1.00 0.27 H new ATOM 0 HB3 ASP B 53 -13.658 2.271 9.775 1.00 0.27 H new ATOM 1869 N PRO B 54 -14.776 -1.584 8.206 1.00 0.22 N ATOM 1870 CA PRO B 54 -15.707 -2.736 8.160 1.00 0.24 C ATOM 1871 C PRO B 54 -16.631 -2.734 9.390 1.00 0.28 C ATOM 1872 O PRO B 54 -17.525 -3.549 9.506 1.00 0.30 O ATOM 1873 CB PRO B 54 -14.798 -3.988 8.164 1.00 0.27 C ATOM 1874 CG PRO B 54 -13.323 -3.501 8.224 1.00 0.27 C ATOM 1875 CD PRO B 54 -13.342 -1.957 8.258 1.00 0.24 C ATOM 0 HA PRO B 54 -16.354 -2.704 7.283 1.00 0.24 H new ATOM 0 HB2 PRO B 54 -15.026 -4.623 9.020 1.00 0.27 H new ATOM 0 HB3 PRO B 54 -14.967 -4.586 7.269 1.00 0.27 H new ATOM 0 HG2 PRO B 54 -12.825 -3.897 9.109 1.00 0.27 H new ATOM 0 HG3 PRO B 54 -12.766 -3.858 7.358 1.00 0.27 H new ATOM 0 HD2 PRO B 54 -12.869 -1.577 9.164 1.00 0.24 H new ATOM 0 HD3 PRO B 54 -12.795 -1.538 7.413 1.00 0.24 H new ATOM 1883 N SER B 55 -16.408 -1.845 10.313 1.00 0.31 N ATOM 1884 CA SER B 55 -17.256 -1.813 11.541 1.00 0.36 C ATOM 1885 C SER B 55 -18.623 -1.193 11.233 1.00 0.36 C ATOM 1886 O SER B 55 -19.582 -1.410 11.946 1.00 0.40 O ATOM 1887 CB SER B 55 -16.556 -0.984 12.618 1.00 0.40 C ATOM 1888 OG SER B 55 -17.275 -1.098 13.840 1.00 1.42 O ATOM 0 H SER B 55 -15.675 -1.137 10.273 1.00 0.31 H new ATOM 0 HA SER B 55 -17.404 -2.834 11.893 1.00 0.36 H new ATOM 0 HB2 SER B 55 -15.531 -1.331 12.752 1.00 0.40 H new ATOM 0 HB3 SER B 55 -16.501 0.060 12.311 1.00 0.40 H new ATOM 0 HG SER B 55 -16.828 -0.569 14.533 1.00 1.42 H new ATOM 1894 N GLU B 56 -18.726 -0.428 10.181 1.00 0.33 N ATOM 1895 CA GLU B 56 -20.039 0.197 9.842 1.00 0.33 C ATOM 1896 C GLU B 56 -20.911 -0.820 9.098 1.00 0.33 C ATOM 1897 O GLU B 56 -20.553 -1.323 8.051 1.00 0.29 O ATOM 1898 CB GLU B 56 -19.805 1.435 8.970 1.00 0.31 C ATOM 1899 CG GLU B 56 -19.423 2.641 9.846 1.00 0.35 C ATOM 1900 CD GLU B 56 -18.359 2.239 10.873 1.00 1.30 C ATOM 1901 OE1 GLU B 56 -17.417 1.566 10.491 1.00 2.08 O ATOM 1902 OE2 GLU B 56 -18.505 2.613 12.025 1.00 2.01 O ATOM 0 H GLU B 56 -17.961 -0.208 9.543 1.00 0.33 H new ATOM 0 HA GLU B 56 -20.550 0.500 10.756 1.00 0.33 H new ATOM 0 HB2 GLU B 56 -19.013 1.235 8.249 1.00 0.31 H new ATOM 0 HB3 GLU B 56 -20.706 1.662 8.400 1.00 0.31 H new ATOM 0 HG2 GLU B 56 -19.046 3.449 9.219 1.00 0.35 H new ATOM 0 HG3 GLU B 56 -20.307 3.021 10.358 1.00 0.35 H new ATOM 1909 N SER B 57 -22.046 -1.131 9.652 1.00 0.37 N ATOM 1910 CA SER B 57 -22.963 -2.123 9.024 1.00 0.38 C ATOM 1911 C SER B 57 -23.195 -1.816 7.542 1.00 0.35 C ATOM 1912 O SER B 57 -23.270 -2.713 6.727 1.00 0.34 O ATOM 1913 CB SER B 57 -24.305 -2.100 9.757 1.00 0.44 C ATOM 1914 OG SER B 57 -25.169 -3.072 9.185 1.00 1.37 O ATOM 0 H SER B 57 -22.384 -0.734 10.528 1.00 0.37 H new ATOM 0 HA SER B 57 -22.501 -3.107 9.099 1.00 0.38 H new ATOM 0 HB2 SER B 57 -24.157 -2.307 10.817 1.00 0.44 H new ATOM 0 HB3 SER B 57 -24.755 -1.110 9.685 1.00 0.44 H new ATOM 0 HG SER B 57 -26.030 -3.061 9.654 1.00 1.37 H new ATOM 1920 N TRP B 58 -23.335 -0.571 7.175 1.00 0.34 N ATOM 1921 CA TRP B 58 -23.588 -0.265 5.739 1.00 0.32 C ATOM 1922 C TRP B 58 -22.422 -0.770 4.894 1.00 0.27 C ATOM 1923 O TRP B 58 -22.595 -1.185 3.768 1.00 0.27 O ATOM 1924 CB TRP B 58 -23.821 1.242 5.535 1.00 0.34 C ATOM 1925 CG TRP B 58 -22.536 2.012 5.517 1.00 0.31 C ATOM 1926 CD1 TRP B 58 -22.097 2.803 6.524 1.00 0.32 C ATOM 1927 CD2 TRP B 58 -21.541 2.114 4.454 1.00 0.27 C ATOM 1928 NE1 TRP B 58 -20.900 3.385 6.150 1.00 0.29 N ATOM 1929 CE2 TRP B 58 -20.508 2.987 4.891 1.00 0.26 C ATOM 1930 CE3 TRP B 58 -21.428 1.538 3.166 1.00 0.27 C ATOM 1931 CZ2 TRP B 58 -19.402 3.281 4.080 1.00 0.25 C ATOM 1932 CZ3 TRP B 58 -20.316 1.831 2.348 1.00 0.27 C ATOM 1933 CH2 TRP B 58 -19.305 2.700 2.805 1.00 0.26 C ATOM 0 H TRP B 58 -23.286 0.236 7.797 1.00 0.34 H new ATOM 0 HA TRP B 58 -24.494 -0.778 5.418 1.00 0.32 H new ATOM 0 HB2 TRP B 58 -24.353 1.403 4.597 1.00 0.34 H new ATOM 0 HB3 TRP B 58 -24.460 1.621 6.333 1.00 0.34 H new ATOM 0 HD1 TRP B 58 -22.601 2.955 7.467 1.00 0.32 H new ATOM 0 HE1 TRP B 58 -20.371 4.031 6.736 1.00 0.29 H new ATOM 0 HE3 TRP B 58 -22.197 0.870 2.807 1.00 0.27 H new ATOM 0 HZ2 TRP B 58 -18.631 3.949 4.433 1.00 0.25 H new ATOM 0 HZ3 TRP B 58 -20.239 1.387 1.367 1.00 0.27 H new ATOM 0 HH2 TRP B 58 -18.456 2.919 2.175 1.00 0.26 H new ATOM 1944 N VAL B 59 -21.240 -0.770 5.434 1.00 0.24 N ATOM 1945 CA VAL B 59 -20.082 -1.274 4.654 1.00 0.20 C ATOM 1946 C VAL B 59 -20.283 -2.761 4.393 1.00 0.22 C ATOM 1947 O VAL B 59 -20.141 -3.233 3.284 1.00 0.21 O ATOM 1948 CB VAL B 59 -18.802 -1.051 5.456 1.00 0.19 C ATOM 1949 CG1 VAL B 59 -17.600 -1.616 4.693 1.00 0.18 C ATOM 1950 CG2 VAL B 59 -18.623 0.450 5.674 1.00 0.19 C ATOM 0 H VAL B 59 -21.026 -0.445 6.377 1.00 0.24 H new ATOM 0 HA VAL B 59 -20.002 -0.744 3.705 1.00 0.20 H new ATOM 0 HB VAL B 59 -18.871 -1.561 6.417 1.00 0.19 H new ATOM 0 HG11 VAL B 59 -16.692 -1.452 5.273 1.00 0.18 H new ATOM 0 HG12 VAL B 59 -17.741 -2.685 4.533 1.00 0.18 H new ATOM 0 HG13 VAL B 59 -17.511 -1.113 3.730 1.00 0.18 H new ATOM 0 HG21 VAL B 59 -17.712 0.629 6.246 1.00 0.19 H new ATOM 0 HG22 VAL B 59 -18.550 0.952 4.709 1.00 0.19 H new ATOM 0 HG23 VAL B 59 -19.479 0.843 6.223 1.00 0.19 H new ATOM 1960 N GLN B 60 -20.636 -3.501 5.402 1.00 0.25 N ATOM 1961 CA GLN B 60 -20.871 -4.957 5.201 1.00 0.28 C ATOM 1962 C GLN B 60 -22.081 -5.149 4.282 1.00 0.30 C ATOM 1963 O GLN B 60 -22.125 -6.056 3.474 1.00 0.31 O ATOM 1964 CB GLN B 60 -21.141 -5.625 6.551 1.00 0.33 C ATOM 1965 CG GLN B 60 -21.054 -7.145 6.397 1.00 1.25 C ATOM 1966 CD GLN B 60 -21.177 -7.806 7.771 1.00 1.65 C ATOM 1967 OE1 GLN B 60 -20.804 -7.227 8.772 1.00 2.33 O ATOM 1968 NE2 GLN B 60 -21.688 -9.003 7.862 1.00 2.14 N ATOM 0 H GLN B 60 -20.772 -3.164 6.355 1.00 0.25 H new ATOM 0 HA GLN B 60 -19.990 -5.410 4.747 1.00 0.28 H new ATOM 0 HB2 GLN B 60 -20.416 -5.282 7.289 1.00 0.33 H new ATOM 0 HB3 GLN B 60 -22.128 -5.342 6.917 1.00 0.33 H new ATOM 0 HG2 GLN B 60 -21.847 -7.500 5.739 1.00 1.25 H new ATOM 0 HG3 GLN B 60 -20.107 -7.420 5.933 1.00 1.25 H new ATOM 0 HE21 GLN B 60 -22.001 -9.489 7.022 1.00 2.14 H new ATOM 0 HE22 GLN B 60 -21.774 -9.453 8.773 1.00 2.14 H new ATOM 1977 N GLU B 61 -23.065 -4.300 4.404 1.00 0.31 N ATOM 1978 CA GLU B 61 -24.281 -4.424 3.546 1.00 0.33 C ATOM 1979 C GLU B 61 -23.920 -4.172 2.080 1.00 0.31 C ATOM 1980 O GLU B 61 -24.274 -4.936 1.204 1.00 0.32 O ATOM 1981 CB GLU B 61 -25.326 -3.400 3.995 1.00 0.35 C ATOM 1982 CG GLU B 61 -26.653 -3.682 3.286 1.00 0.40 C ATOM 1983 CD GLU B 61 -27.730 -2.736 3.823 1.00 1.29 C ATOM 1984 OE1 GLU B 61 -28.344 -3.076 4.820 1.00 1.99 O ATOM 1985 OE2 GLU B 61 -27.921 -1.688 3.227 1.00 2.03 O ATOM 0 H GLU B 61 -23.080 -3.522 5.064 1.00 0.31 H new ATOM 0 HA GLU B 61 -24.685 -5.432 3.645 1.00 0.33 H new ATOM 0 HB2 GLU B 61 -25.460 -3.451 5.075 1.00 0.35 H new ATOM 0 HB3 GLU B 61 -24.985 -2.391 3.764 1.00 0.35 H new ATOM 0 HG2 GLU B 61 -26.539 -3.547 2.210 1.00 0.40 H new ATOM 0 HG3 GLU B 61 -26.951 -4.718 3.447 1.00 0.40 H new ATOM 1992 N TYR B 62 -23.224 -3.104 1.805 1.00 0.28 N ATOM 1993 CA TYR B 62 -22.848 -2.799 0.395 1.00 0.28 C ATOM 1994 C TYR B 62 -21.970 -3.927 -0.157 1.00 0.28 C ATOM 1995 O TYR B 62 -22.055 -4.279 -1.317 1.00 0.30 O ATOM 1996 CB TYR B 62 -22.078 -1.469 0.336 1.00 0.25 C ATOM 1997 CG TYR B 62 -23.039 -0.291 0.328 1.00 0.27 C ATOM 1998 CD1 TYR B 62 -24.055 -0.184 1.302 1.00 0.29 C ATOM 1999 CD2 TYR B 62 -22.911 0.707 -0.661 1.00 0.27 C ATOM 2000 CE1 TYR B 62 -24.935 0.916 1.284 1.00 0.32 C ATOM 2001 CE2 TYR B 62 -23.792 1.804 -0.676 1.00 0.29 C ATOM 2002 CZ TYR B 62 -24.804 1.909 0.296 1.00 0.31 C ATOM 2003 OH TYR B 62 -25.667 2.986 0.281 1.00 0.34 O ATOM 0 H TYR B 62 -22.899 -2.428 2.496 1.00 0.28 H new ATOM 0 HA TYR B 62 -23.752 -2.715 -0.208 1.00 0.28 H new ATOM 0 HB2 TYR B 62 -21.408 -1.393 1.193 1.00 0.25 H new ATOM 0 HB3 TYR B 62 -21.456 -1.443 -0.558 1.00 0.25 H new ATOM 0 HD1 TYR B 62 -24.158 -0.945 2.061 1.00 0.29 H new ATOM 0 HD2 TYR B 62 -22.135 0.629 -1.408 1.00 0.27 H new ATOM 0 HE1 TYR B 62 -25.712 0.997 2.030 1.00 0.32 H new ATOM 0 HE2 TYR B 62 -23.691 2.566 -1.434 1.00 0.29 H new ATOM 0 HH TYR B 62 -25.438 3.578 -0.465 1.00 0.34 H new ATOM 2013 N VAL B 63 -21.135 -4.504 0.661 1.00 0.27 N ATOM 2014 CA VAL B 63 -20.271 -5.611 0.176 1.00 0.28 C ATOM 2015 C VAL B 63 -21.164 -6.785 -0.192 1.00 0.32 C ATOM 2016 O VAL B 63 -20.954 -7.462 -1.177 1.00 0.34 O ATOM 2017 CB VAL B 63 -19.300 -6.023 1.285 1.00 0.28 C ATOM 2018 CG1 VAL B 63 -18.571 -7.310 0.886 1.00 0.32 C ATOM 2019 CG2 VAL B 63 -18.276 -4.907 1.505 1.00 0.25 C ATOM 0 H VAL B 63 -21.015 -4.256 1.643 1.00 0.27 H new ATOM 0 HA VAL B 63 -19.696 -5.292 -0.694 1.00 0.28 H new ATOM 0 HB VAL B 63 -19.858 -6.196 2.205 1.00 0.28 H new ATOM 0 HG11 VAL B 63 -17.881 -7.598 1.679 1.00 0.32 H new ATOM 0 HG12 VAL B 63 -19.298 -8.107 0.730 1.00 0.32 H new ATOM 0 HG13 VAL B 63 -18.014 -7.142 -0.036 1.00 0.32 H new ATOM 0 HG21 VAL B 63 -17.584 -5.199 2.295 1.00 0.25 H new ATOM 0 HG22 VAL B 63 -17.722 -4.734 0.582 1.00 0.25 H new ATOM 0 HG23 VAL B 63 -18.792 -3.992 1.795 1.00 0.25 H new ATOM 2029 N TYR B 64 -22.167 -7.025 0.599 1.00 0.34 N ATOM 2030 CA TYR B 64 -23.087 -8.149 0.310 1.00 0.38 C ATOM 2031 C TYR B 64 -23.790 -7.888 -1.019 1.00 0.39 C ATOM 2032 O TYR B 64 -23.930 -8.765 -1.848 1.00 0.41 O ATOM 2033 CB TYR B 64 -24.126 -8.250 1.431 1.00 0.41 C ATOM 2034 CG TYR B 64 -24.777 -9.615 1.406 1.00 0.46 C ATOM 2035 CD1 TYR B 64 -24.066 -10.742 1.864 1.00 0.48 C ATOM 2036 CD2 TYR B 64 -26.093 -9.762 0.925 1.00 0.49 C ATOM 2037 CE1 TYR B 64 -24.670 -12.013 1.841 1.00 0.52 C ATOM 2038 CE2 TYR B 64 -26.697 -11.034 0.902 1.00 0.54 C ATOM 2039 CZ TYR B 64 -25.985 -12.159 1.359 1.00 0.55 C ATOM 2040 OH TYR B 64 -26.578 -13.405 1.337 1.00 0.60 O ATOM 0 H TYR B 64 -22.389 -6.487 1.437 1.00 0.34 H new ATOM 0 HA TYR B 64 -22.528 -9.083 0.249 1.00 0.38 H new ATOM 0 HB2 TYR B 64 -23.650 -8.082 2.397 1.00 0.41 H new ATOM 0 HB3 TYR B 64 -24.882 -7.474 1.309 1.00 0.41 H new ATOM 0 HD1 TYR B 64 -23.057 -10.630 2.233 1.00 0.48 H new ATOM 0 HD2 TYR B 64 -26.639 -8.899 0.574 1.00 0.49 H new ATOM 0 HE1 TYR B 64 -24.125 -12.876 2.193 1.00 0.52 H new ATOM 0 HE2 TYR B 64 -27.706 -11.146 0.534 1.00 0.54 H new ATOM 0 HH TYR B 64 -27.486 -13.329 0.976 1.00 0.60 H new ATOM 2050 N ASP B 65 -24.231 -6.683 -1.220 1.00 0.36 N ATOM 2051 CA ASP B 65 -24.933 -6.340 -2.489 1.00 0.37 C ATOM 2052 C ASP B 65 -23.981 -6.537 -3.672 1.00 0.37 C ATOM 2053 O ASP B 65 -24.380 -6.938 -4.746 1.00 0.40 O ATOM 2054 CB ASP B 65 -25.385 -4.877 -2.431 1.00 0.35 C ATOM 2055 CG ASP B 65 -26.656 -4.761 -1.586 1.00 0.39 C ATOM 2056 OD1 ASP B 65 -27.546 -5.574 -1.775 1.00 1.15 O ATOM 2057 OD2 ASP B 65 -26.717 -3.862 -0.764 1.00 1.11 O ATOM 0 H ASP B 65 -24.136 -5.913 -0.557 1.00 0.36 H new ATOM 0 HA ASP B 65 -25.800 -6.988 -2.616 1.00 0.37 H new ATOM 0 HB2 ASP B 65 -24.595 -4.259 -2.003 1.00 0.35 H new ATOM 0 HB3 ASP B 65 -25.571 -4.504 -3.438 1.00 0.35 H new ATOM 2062 N LEU B 66 -22.724 -6.259 -3.477 1.00 0.33 N ATOM 2063 CA LEU B 66 -21.738 -6.425 -4.580 1.00 0.34 C ATOM 2064 C LEU B 66 -21.502 -7.917 -4.830 1.00 0.39 C ATOM 2065 O LEU B 66 -21.215 -8.334 -5.935 1.00 0.42 O ATOM 2066 CB LEU B 66 -20.424 -5.746 -4.171 1.00 0.31 C ATOM 2067 CG LEU B 66 -20.515 -4.224 -4.411 1.00 0.28 C ATOM 2068 CD1 LEU B 66 -19.485 -3.500 -3.539 1.00 0.24 C ATOM 2069 CD2 LEU B 66 -20.221 -3.896 -5.884 1.00 0.30 C ATOM 0 H LEU B 66 -22.334 -5.922 -2.597 1.00 0.33 H new ATOM 0 HA LEU B 66 -22.115 -5.969 -5.495 1.00 0.34 H new ATOM 0 HB2 LEU B 66 -20.215 -5.944 -3.120 1.00 0.31 H new ATOM 0 HB3 LEU B 66 -19.596 -6.163 -4.744 1.00 0.31 H new ATOM 0 HG LEU B 66 -21.523 -3.896 -4.156 1.00 0.28 H new ATOM 0 HD11 LEU B 66 -19.553 -2.426 -3.712 1.00 0.24 H new ATOM 0 HD12 LEU B 66 -19.684 -3.712 -2.489 1.00 0.24 H new ATOM 0 HD13 LEU B 66 -18.484 -3.846 -3.795 1.00 0.24 H new ATOM 0 HD21 LEU B 66 -20.289 -2.819 -6.038 1.00 0.30 H new ATOM 0 HD22 LEU B 66 -19.217 -4.236 -6.139 1.00 0.30 H new ATOM 0 HD23 LEU B 66 -20.948 -4.400 -6.521 1.00 0.30 H new ATOM 2081 N GLU B 67 -21.628 -8.722 -3.815 1.00 0.40 N ATOM 2082 CA GLU B 67 -21.419 -10.187 -3.993 1.00 0.45 C ATOM 2083 C GLU B 67 -22.607 -10.770 -4.756 1.00 0.50 C ATOM 2084 O GLU B 67 -22.487 -11.752 -5.462 1.00 0.55 O ATOM 2085 CB GLU B 67 -21.324 -10.855 -2.620 1.00 0.46 C ATOM 2086 CG GLU B 67 -20.046 -10.400 -1.912 1.00 0.44 C ATOM 2087 CD GLU B 67 -18.845 -11.178 -2.456 1.00 1.13 C ATOM 2088 OE1 GLU B 67 -18.404 -10.861 -3.549 1.00 1.81 O ATOM 2089 OE2 GLU B 67 -18.387 -12.078 -1.771 1.00 1.88 O ATOM 0 H GLU B 67 -21.867 -8.430 -2.867 1.00 0.40 H new ATOM 0 HA GLU B 67 -20.499 -10.364 -4.549 1.00 0.45 H new ATOM 0 HB2 GLU B 67 -22.196 -10.597 -2.019 1.00 0.46 H new ATOM 0 HB3 GLU B 67 -21.323 -11.939 -2.732 1.00 0.46 H new ATOM 0 HG2 GLU B 67 -19.897 -9.331 -2.063 1.00 0.44 H new ATOM 0 HG3 GLU B 67 -20.138 -10.560 -0.838 1.00 0.44 H new