USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=40 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 19 LYS NZ :NH3+ 173:sc= 0.206 (180deg=0) USER MOD Set 1.2: B 62 TYR OH : rot 180:sc= 0.128 USER MOD Set 2.1: B 44 THR OG1 : rot 144:sc= 0.983 USER MOD Set 2.2: B 47 SER OG : rot -68:sc= 0.153! USER MOD Set 3.1: A 19 LYS NZ :NH3+ 174:sc= 0.212 (180deg=0) USER MOD Set 3.2: A 62 TYR OH : rot 180:sc= 0.134 USER MOD Set 4.1: A 44 THR OG1 : rot 144:sc= 1.08 USER MOD Set 4.2: A 47 SER OG : rot -82:sc= 0.28! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -33:sc= -0.203 USER MOD Single : A 14 SER OG : rot -84:sc= 1.64 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 63:sc= 0.115! USER MOD Single : A 23 ASN : amide:sc= -3.15! K(o=-3.1!,f=0.069) 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 45:sc= -1.09 USER MOD Single : A 32 SER OG : rot -130:sc= -0.24 USER MOD Single : A 33 SER OG : rot 180:sc= -0.142 USER MOD Single : A 36 SER OG : rot 73:sc= 0.331 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -2.62! C(o=-2.6!,f=-4.6!) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 0.773 (180deg=0.083!) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0508 (180deg=-0.787) USER MOD Single : A 49 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.28) USER MOD Single : A 55 SER OG : rot -21:sc= 0.202 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=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 171:sc= -0.793 USER MOD Single : B 14 SER OG : rot -112:sc= 1.31 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 65:sc= -0.0372! USER MOD Single : B 23 ASN : amide:sc= -3.12! K(o=-3.1!,f=-0.0083) 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 27:sc= -0.952 USER MOD Single : B 32 SER OG : rot -130:sc= -0.238 USER MOD Single : B 33 SER OG : rot 180:sc= -0.132 USER MOD Single : B 36 SER OG : rot 72:sc= 0.313 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 43 GLN : amide:sc= -2.72! C(o=-2.7!,f=-4.7!) USER MOD Single : B 45 LYS NZ :NH3+ -166:sc= 0.757 (180deg=-0.0516!) USER MOD Single : B 48 LYS NZ :NH3+ -163:sc= -0.0427 (180deg=-0.741) USER MOD Single : B 49 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.27) USER MOD Single : B 55 SER OG : rot -26:sc= 0.0505 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -11.181 9.720 -3.572 1.00 0.44 N ATOM 52 CA SER A 5 -11.673 10.127 -2.220 1.00 0.30 C ATOM 53 C SER A 5 -10.649 9.718 -1.147 1.00 0.27 C ATOM 54 O SER A 5 -10.072 10.553 -0.480 1.00 0.30 O ATOM 55 CB SER A 5 -13.039 9.467 -1.955 1.00 0.49 C ATOM 56 OG SER A 5 -13.978 10.474 -1.601 1.00 1.52 O ATOM 0 HA SER A 5 -11.794 11.210 -2.181 1.00 0.30 H new ATOM 0 HB2 SER A 5 -13.377 8.932 -2.842 1.00 0.49 H new ATOM 0 HB3 SER A 5 -12.954 8.733 -1.154 1.00 0.49 H new ATOM 0 HG SER A 5 -14.851 10.062 -1.432 1.00 1.52 H new ATOM 62 N ASP A 6 -10.420 8.441 -0.977 1.00 0.24 N ATOM 63 CA ASP A 6 -9.432 7.988 0.053 1.00 0.23 C ATOM 64 C ASP A 6 -8.919 6.584 -0.302 1.00 0.21 C ATOM 65 O ASP A 6 -9.227 5.631 0.386 1.00 0.20 O ATOM 66 CB ASP A 6 -10.107 7.946 1.435 1.00 0.25 C ATOM 67 CG ASP A 6 -9.037 7.938 2.530 1.00 1.26 C ATOM 68 OD1 ASP A 6 -8.516 6.871 2.812 1.00 2.03 O ATOM 69 OD2 ASP A 6 -8.757 8.997 3.066 1.00 2.00 O ATOM 0 H ASP A 6 -10.872 7.693 -1.504 1.00 0.24 H new ATOM 0 HA ASP A 6 -8.596 8.687 0.076 1.00 0.23 H new ATOM 0 HB2 ASP A 6 -10.761 8.809 1.558 1.00 0.25 H new ATOM 0 HB3 ASP A 6 -10.733 7.058 1.518 1.00 0.25 H new ATOM 74 N PRO A 7 -8.155 6.483 -1.370 1.00 0.22 N ATOM 75 CA PRO A 7 -7.614 5.182 -1.807 1.00 0.22 C ATOM 76 C PRO A 7 -6.647 4.627 -0.735 1.00 0.20 C ATOM 77 O PRO A 7 -6.279 5.340 0.178 1.00 0.20 O ATOM 78 CB PRO A 7 -6.880 5.485 -3.136 1.00 0.25 C ATOM 79 CG PRO A 7 -6.990 7.016 -3.395 1.00 0.27 C ATOM 80 CD PRO A 7 -7.778 7.634 -2.218 1.00 0.26 C ATOM 0 HA PRO A 7 -8.386 4.425 -1.945 1.00 0.22 H new ATOM 0 HB2 PRO A 7 -5.835 5.181 -3.074 1.00 0.25 H new ATOM 0 HB3 PRO A 7 -7.327 4.925 -3.957 1.00 0.25 H new ATOM 0 HG2 PRO A 7 -5.999 7.464 -3.469 1.00 0.27 H new ATOM 0 HG3 PRO A 7 -7.499 7.209 -4.340 1.00 0.27 H new ATOM 0 HD2 PRO A 7 -7.168 8.349 -1.666 1.00 0.26 H new ATOM 0 HD3 PRO A 7 -8.659 8.171 -2.570 1.00 0.26 H new ATOM 88 N PRO A 8 -6.260 3.372 -0.873 1.00 0.21 N ATOM 89 CA PRO A 8 -5.335 2.734 0.088 1.00 0.22 C ATOM 90 C PRO A 8 -3.974 3.449 0.064 1.00 0.22 C ATOM 91 O PRO A 8 -3.864 4.583 -0.359 1.00 0.22 O ATOM 92 CB PRO A 8 -5.206 1.270 -0.398 1.00 0.24 C ATOM 93 CG PRO A 8 -5.952 1.165 -1.761 1.00 0.26 C ATOM 94 CD PRO A 8 -6.705 2.496 -1.980 1.00 0.24 C ATOM 0 HA PRO A 8 -5.695 2.786 1.116 1.00 0.22 H new ATOM 0 HB2 PRO A 8 -4.158 0.994 -0.512 1.00 0.24 H new ATOM 0 HB3 PRO A 8 -5.639 0.584 0.330 1.00 0.24 H new ATOM 0 HG2 PRO A 8 -5.246 0.986 -2.572 1.00 0.26 H new ATOM 0 HG3 PRO A 8 -6.649 0.327 -1.754 1.00 0.26 H new ATOM 0 HD2 PRO A 8 -6.464 2.931 -2.950 1.00 0.24 H new ATOM 0 HD3 PRO A 8 -7.785 2.348 -1.957 1.00 0.24 H new ATOM 102 N THR A 9 -2.941 2.789 0.518 1.00 0.23 N ATOM 103 CA THR A 9 -1.591 3.421 0.522 1.00 0.24 C ATOM 104 C THR A 9 -0.515 2.335 0.548 1.00 0.24 C ATOM 105 O THR A 9 -0.526 1.451 1.380 1.00 0.25 O ATOM 106 CB THR A 9 -1.447 4.306 1.762 1.00 0.25 C ATOM 107 OG1 THR A 9 -2.621 5.090 1.919 1.00 0.26 O ATOM 108 CG2 THR A 9 -0.234 5.224 1.599 1.00 0.29 C ATOM 0 H THR A 9 -2.975 1.838 0.886 1.00 0.23 H new ATOM 0 HA THR A 9 -1.474 4.027 -0.377 1.00 0.24 H new ATOM 0 HB THR A 9 -1.307 3.679 2.643 1.00 0.25 H new ATOM 0 HG1 THR A 9 -2.988 5.310 1.037 1.00 0.26 H new ATOM 0 HG21 THR A 9 -0.133 5.854 2.483 1.00 0.29 H new ATOM 0 HG22 THR A 9 0.666 4.620 1.479 1.00 0.29 H new ATOM 0 HG23 THR A 9 -0.369 5.853 0.719 1.00 0.29 H new ATOM 116 N ALA A 10 0.414 2.401 -0.363 1.00 0.23 N ATOM 117 CA ALA A 10 1.497 1.382 -0.403 1.00 0.23 C ATOM 118 C ALA A 10 2.416 1.557 0.807 1.00 0.22 C ATOM 119 O ALA A 10 3.468 2.160 0.713 1.00 0.27 O ATOM 120 CB ALA A 10 2.307 1.563 -1.684 1.00 0.23 C ATOM 0 H ALA A 10 0.470 3.120 -1.084 1.00 0.23 H new ATOM 0 HA ALA A 10 1.059 0.384 -0.380 1.00 0.23 H new ATOM 0 HB1 ALA A 10 3.103 0.819 -1.720 1.00 0.23 H new ATOM 0 HB2 ALA A 10 1.654 1.438 -2.548 1.00 0.23 H new ATOM 0 HB3 ALA A 10 2.743 2.562 -1.701 1.00 0.23 H new ATOM 126 N CYS A 11 2.032 1.026 1.940 1.00 0.25 N ATOM 127 CA CYS A 11 2.880 1.144 3.169 1.00 0.25 C ATOM 128 C CYS A 11 3.479 -0.227 3.486 1.00 0.25 C ATOM 129 O CYS A 11 2.827 -1.244 3.357 1.00 0.26 O ATOM 130 CB CYS A 11 2.012 1.607 4.342 1.00 0.25 C ATOM 131 SG CYS A 11 1.145 3.131 3.888 1.00 0.33 S ATOM 0 H CYS A 11 1.161 0.511 2.069 1.00 0.25 H new ATOM 0 HA CYS A 11 3.678 1.868 3.004 1.00 0.25 H new ATOM 0 HB2 CYS A 11 1.293 0.831 4.604 1.00 0.25 H new ATOM 0 HB3 CYS A 11 2.632 1.777 5.222 1.00 0.25 H new ATOM 136 N CYS A 12 4.720 -0.266 3.891 1.00 0.24 N ATOM 137 CA CYS A 12 5.356 -1.575 4.207 1.00 0.24 C ATOM 138 C CYS A 12 4.816 -2.100 5.538 1.00 0.24 C ATOM 139 O CYS A 12 4.544 -1.343 6.450 1.00 0.27 O ATOM 140 CB CYS A 12 6.873 -1.400 4.307 1.00 0.24 C ATOM 141 SG CYS A 12 7.545 -0.994 2.675 1.00 0.24 S ATOM 0 H CYS A 12 5.319 0.550 4.016 1.00 0.24 H new ATOM 0 HA CYS A 12 5.125 -2.287 3.415 1.00 0.24 H new ATOM 0 HB2 CYS A 12 7.112 -0.609 5.017 1.00 0.24 H new ATOM 0 HB3 CYS A 12 7.331 -2.315 4.683 1.00 0.24 H new ATOM 146 N PHE A 13 4.664 -3.394 5.658 1.00 0.25 N ATOM 147 CA PHE A 13 4.148 -3.990 6.928 1.00 0.27 C ATOM 148 C PHE A 13 5.318 -4.605 7.696 1.00 0.24 C ATOM 149 O PHE A 13 5.246 -4.838 8.886 1.00 0.26 O ATOM 150 CB PHE A 13 3.131 -5.084 6.598 1.00 0.30 C ATOM 151 CG PHE A 13 3.820 -6.194 5.841 1.00 0.31 C ATOM 152 CD1 PHE A 13 4.111 -6.036 4.474 1.00 0.31 C ATOM 153 CD2 PHE A 13 4.176 -7.384 6.506 1.00 0.35 C ATOM 154 CE1 PHE A 13 4.758 -7.068 3.769 1.00 0.34 C ATOM 155 CE2 PHE A 13 4.822 -8.416 5.800 1.00 0.37 C ATOM 156 CZ PHE A 13 5.114 -8.259 4.432 1.00 0.37 C ATOM 0 H PHE A 13 4.877 -4.069 4.924 1.00 0.25 H new ATOM 0 HA PHE A 13 3.670 -3.219 7.532 1.00 0.27 H new ATOM 0 HB2 PHE A 13 2.689 -5.474 7.515 1.00 0.30 H new ATOM 0 HB3 PHE A 13 2.317 -4.672 6.001 1.00 0.30 H new ATOM 0 HD1 PHE A 13 3.838 -5.123 3.966 1.00 0.31 H new ATOM 0 HD2 PHE A 13 3.953 -7.504 7.556 1.00 0.35 H new ATOM 0 HE1 PHE A 13 4.982 -6.947 2.719 1.00 0.34 H new ATOM 0 HE2 PHE A 13 5.094 -9.329 6.308 1.00 0.37 H new ATOM 0 HZ PHE A 13 5.611 -9.051 3.891 1.00 0.37 H new ATOM 166 N SER A 14 6.398 -4.869 7.014 1.00 0.21 N ATOM 167 CA SER A 14 7.586 -5.469 7.682 1.00 0.20 C ATOM 168 C SER A 14 8.833 -5.134 6.863 1.00 0.18 C ATOM 169 O SER A 14 8.871 -4.149 6.154 1.00 0.17 O ATOM 170 CB SER A 14 7.417 -6.986 7.763 1.00 0.20 C ATOM 171 OG SER A 14 7.502 -7.538 6.456 1.00 0.25 O ATOM 0 H SER A 14 6.509 -4.693 6.015 1.00 0.21 H new ATOM 0 HA SER A 14 7.686 -5.068 8.690 1.00 0.20 H new ATOM 0 HB2 SER A 14 8.188 -7.416 8.403 1.00 0.20 H new ATOM 0 HB3 SER A 14 6.455 -7.233 8.213 1.00 0.20 H new ATOM 0 HG SER A 14 6.625 -7.488 6.022 1.00 0.25 H new ATOM 177 N TYR A 15 9.856 -5.942 6.949 1.00 0.19 N ATOM 178 CA TYR A 15 11.097 -5.657 6.169 1.00 0.20 C ATOM 179 C TYR A 15 11.847 -6.962 5.903 1.00 0.24 C ATOM 180 O TYR A 15 11.641 -7.957 6.568 1.00 0.29 O ATOM 181 CB TYR A 15 11.996 -4.702 6.964 1.00 0.22 C ATOM 182 CG TYR A 15 11.152 -3.647 7.637 1.00 0.21 C ATOM 183 CD1 TYR A 15 10.756 -2.500 6.924 1.00 0.21 C ATOM 184 CD2 TYR A 15 10.760 -3.812 8.980 1.00 0.25 C ATOM 185 CE1 TYR A 15 9.968 -1.517 7.554 1.00 0.23 C ATOM 186 CE2 TYR A 15 9.971 -2.829 9.609 1.00 0.28 C ATOM 187 CZ TYR A 15 9.575 -1.682 8.896 1.00 0.27 C ATOM 188 OH TYR A 15 8.803 -0.718 9.512 1.00 0.32 O ATOM 0 H TYR A 15 9.887 -6.784 7.523 1.00 0.19 H new ATOM 0 HA TYR A 15 10.828 -5.195 5.219 1.00 0.20 H new ATOM 0 HB2 TYR A 15 12.563 -5.258 7.711 1.00 0.22 H new ATOM 0 HB3 TYR A 15 12.720 -4.232 6.299 1.00 0.22 H new ATOM 0 HD1 TYR A 15 11.056 -2.374 5.894 1.00 0.21 H new ATOM 0 HD2 TYR A 15 11.064 -4.692 9.527 1.00 0.25 H new ATOM 0 HE1 TYR A 15 9.665 -0.636 7.007 1.00 0.23 H new ATOM 0 HE2 TYR A 15 9.670 -2.956 10.638 1.00 0.28 H new ATOM 0 HH TYR A 15 8.620 -0.987 10.436 1.00 0.32 H new ATOM 198 N THR A 16 12.724 -6.959 4.939 1.00 0.22 N ATOM 199 CA THR A 16 13.494 -8.196 4.633 1.00 0.28 C ATOM 200 C THR A 16 14.276 -8.619 5.880 1.00 0.32 C ATOM 201 O THR A 16 14.037 -8.129 6.966 1.00 0.38 O ATOM 202 CB THR A 16 14.454 -7.926 3.469 1.00 0.28 C ATOM 203 OG1 THR A 16 15.360 -9.011 3.333 1.00 0.39 O ATOM 204 CG2 THR A 16 15.234 -6.637 3.728 1.00 0.27 C ATOM 0 H THR A 16 12.941 -6.155 4.350 1.00 0.22 H new ATOM 0 HA THR A 16 12.814 -8.998 4.347 1.00 0.28 H new ATOM 0 HB THR A 16 13.878 -7.819 2.550 1.00 0.28 H new ATOM 0 HG1 THR A 16 14.863 -9.826 3.111 1.00 0.39 H new ATOM 0 HG21 THR A 16 15.915 -6.450 2.897 1.00 0.27 H new ATOM 0 HG22 THR A 16 14.538 -5.803 3.821 1.00 0.27 H new ATOM 0 HG23 THR A 16 15.806 -6.737 4.650 1.00 0.27 H new ATOM 212 N ALA A 17 15.207 -9.523 5.735 1.00 0.36 N ATOM 213 CA ALA A 17 16.010 -9.982 6.908 1.00 0.42 C ATOM 214 C ALA A 17 17.460 -10.165 6.466 1.00 0.45 C ATOM 215 O ALA A 17 18.248 -10.817 7.122 1.00 0.63 O ATOM 216 CB ALA A 17 15.456 -11.316 7.411 1.00 0.50 C ATOM 0 H ALA A 17 15.448 -9.967 4.849 1.00 0.36 H new ATOM 0 HA ALA A 17 15.956 -9.246 7.710 1.00 0.42 H new ATOM 0 HB1 ALA A 17 16.040 -11.653 8.267 1.00 0.50 H new ATOM 0 HB2 ALA A 17 14.415 -11.188 7.710 1.00 0.50 H new ATOM 0 HB3 ALA A 17 15.517 -12.058 6.615 1.00 0.50 H new ATOM 222 N ARG A 18 17.816 -9.585 5.350 1.00 0.47 N ATOM 223 CA ARG A 18 19.214 -9.702 4.840 1.00 0.48 C ATOM 224 C ARG A 18 19.619 -8.377 4.193 1.00 0.41 C ATOM 225 O ARG A 18 18.930 -7.858 3.338 1.00 0.37 O ATOM 226 CB ARG A 18 19.284 -10.822 3.797 1.00 0.53 C ATOM 227 CG ARG A 18 19.252 -12.190 4.499 1.00 0.70 C ATOM 228 CD ARG A 18 20.544 -12.416 5.321 1.00 1.15 C ATOM 229 NE ARG A 18 21.079 -13.794 5.071 1.00 1.96 N ATOM 230 CZ ARG A 18 20.297 -14.843 5.101 1.00 2.64 C ATOM 231 NH1 ARG A 18 19.044 -14.726 5.444 1.00 2.84 N ATOM 232 NH2 ARG A 18 20.782 -16.021 4.813 1.00 3.63 N ATOM 0 H ARG A 18 17.192 -9.030 4.765 1.00 0.47 H new ATOM 0 HA ARG A 18 19.890 -9.933 5.663 1.00 0.48 H new ATOM 0 HB2 ARG A 18 18.447 -10.739 3.104 1.00 0.53 H new ATOM 0 HB3 ARG A 18 20.196 -10.726 3.208 1.00 0.53 H new ATOM 0 HG2 ARG A 18 18.383 -12.247 5.155 1.00 0.70 H new ATOM 0 HG3 ARG A 18 19.144 -12.982 3.758 1.00 0.70 H new ATOM 0 HD2 ARG A 18 21.292 -11.672 5.049 1.00 1.15 H new ATOM 0 HD3 ARG A 18 20.336 -12.285 6.383 1.00 1.15 H new ATOM 0 HE ARG A 18 22.072 -13.916 4.874 1.00 1.96 H new ATOM 0 HH11 ARG A 18 18.666 -13.811 5.692 1.00 2.84 H new ATOM 0 HH12 ARG A 18 18.442 -15.549 5.465 1.00 2.84 H new ATOM 0 HH21 ARG A 18 21.767 -16.121 4.566 1.00 3.63 H new ATOM 0 HH22 ARG A 18 20.176 -16.841 4.835 1.00 3.63 H new ATOM 246 N LYS A 19 20.730 -7.824 4.594 1.00 0.40 N ATOM 247 CA LYS A 19 21.174 -6.534 4.000 1.00 0.35 C ATOM 248 C LYS A 19 21.448 -6.741 2.508 1.00 0.31 C ATOM 249 O LYS A 19 22.242 -7.578 2.125 1.00 0.33 O ATOM 250 CB LYS A 19 22.448 -6.066 4.720 1.00 0.38 C ATOM 251 CG LYS A 19 22.839 -4.629 4.296 1.00 0.40 C ATOM 252 CD LYS A 19 24.015 -4.640 3.308 1.00 0.62 C ATOM 253 CE LYS A 19 25.334 -4.811 4.071 1.00 0.97 C ATOM 254 NZ LYS A 19 26.393 -5.285 3.134 1.00 1.79 N ATOM 0 H LYS A 19 21.349 -8.210 5.307 1.00 0.40 H new ATOM 0 HA LYS A 19 20.401 -5.774 4.116 1.00 0.35 H new ATOM 0 HB2 LYS A 19 22.292 -6.099 5.798 1.00 0.38 H new ATOM 0 HB3 LYS A 19 23.267 -6.749 4.495 1.00 0.38 H new ATOM 0 HG2 LYS A 19 21.981 -4.136 3.838 1.00 0.40 H new ATOM 0 HG3 LYS A 19 23.107 -4.047 5.178 1.00 0.40 H new ATOM 0 HD2 LYS A 19 23.892 -5.451 2.591 1.00 0.62 H new ATOM 0 HD3 LYS A 19 24.032 -3.711 2.738 1.00 0.62 H new ATOM 0 HE2 LYS A 19 25.630 -3.864 4.523 1.00 0.97 H new ATOM 0 HE3 LYS A 19 25.206 -5.526 4.884 1.00 0.97 H new ATOM 0 HZ1 LYS A 19 27.309 -5.304 3.626 1.00 1.79 H new ATOM 0 HZ2 LYS A 19 26.159 -6.242 2.801 1.00 1.79 H new ATOM 0 HZ3 LYS A 19 26.451 -4.640 2.320 1.00 1.79 H new ATOM 268 N LEU A 20 20.784 -5.999 1.662 1.00 0.27 N ATOM 269 CA LEU A 20 20.990 -6.168 0.194 1.00 0.27 C ATOM 270 C LEU A 20 22.379 -5.621 -0.213 1.00 0.27 C ATOM 271 O LEU A 20 22.609 -4.438 -0.065 1.00 0.27 O ATOM 272 CB LEU A 20 19.928 -5.363 -0.565 1.00 0.24 C ATOM 273 CG LEU A 20 18.542 -5.604 0.036 1.00 0.23 C ATOM 274 CD1 LEU A 20 17.494 -4.944 -0.862 1.00 0.22 C ATOM 275 CD2 LEU A 20 18.260 -7.107 0.122 1.00 0.27 C ATOM 0 H LEU A 20 20.107 -5.282 1.925 1.00 0.27 H new ATOM 0 HA LEU A 20 20.918 -7.228 -0.048 1.00 0.27 H new ATOM 0 HB2 LEU A 20 20.169 -4.301 -0.523 1.00 0.24 H new ATOM 0 HB3 LEU A 20 19.929 -5.649 -1.617 1.00 0.24 H new ATOM 0 HG LEU A 20 18.502 -5.178 1.039 1.00 0.23 H new ATOM 0 HD11 LEU A 20 16.501 -5.109 -0.444 1.00 0.22 H new ATOM 0 HD12 LEU A 20 17.689 -3.873 -0.923 1.00 0.22 H new ATOM 0 HD13 LEU A 20 17.544 -5.379 -1.860 1.00 0.22 H new ATOM 0 HD21 LEU A 20 17.271 -7.268 0.551 1.00 0.27 H new ATOM 0 HD22 LEU A 20 18.297 -7.542 -0.877 1.00 0.27 H new ATOM 0 HD23 LEU A 20 19.011 -7.583 0.753 1.00 0.27 H new ATOM 287 N PRO A 21 23.270 -6.455 -0.733 1.00 0.31 N ATOM 288 CA PRO A 21 24.594 -5.961 -1.158 1.00 0.34 C ATOM 289 C PRO A 21 24.414 -4.848 -2.193 1.00 0.30 C ATOM 290 O PRO A 21 23.489 -4.872 -2.979 1.00 0.29 O ATOM 291 CB PRO A 21 25.298 -7.186 -1.784 1.00 0.39 C ATOM 292 CG PRO A 21 24.404 -8.426 -1.504 1.00 0.42 C ATOM 293 CD PRO A 21 23.064 -7.909 -0.938 1.00 0.35 C ATOM 0 HA PRO A 21 25.175 -5.545 -0.334 1.00 0.34 H new ATOM 0 HB2 PRO A 21 25.434 -7.045 -2.856 1.00 0.39 H new ATOM 0 HB3 PRO A 21 26.290 -7.322 -1.352 1.00 0.39 H new ATOM 0 HG2 PRO A 21 24.240 -8.996 -2.419 1.00 0.42 H new ATOM 0 HG3 PRO A 21 24.888 -9.096 -0.793 1.00 0.42 H new ATOM 0 HD2 PRO A 21 22.244 -8.098 -1.631 1.00 0.35 H new ATOM 0 HD3 PRO A 21 22.812 -8.408 -0.002 1.00 0.35 H new ATOM 301 N ARG A 22 25.291 -3.885 -2.216 1.00 0.31 N ATOM 302 CA ARG A 22 25.159 -2.800 -3.226 1.00 0.30 C ATOM 303 C ARG A 22 24.994 -3.439 -4.608 1.00 0.31 C ATOM 304 O ARG A 22 24.330 -2.909 -5.476 1.00 0.31 O ATOM 305 CB ARG A 22 26.418 -1.921 -3.207 1.00 0.33 C ATOM 306 CG ARG A 22 26.216 -0.679 -4.097 1.00 0.69 C ATOM 307 CD ARG A 22 25.527 0.438 -3.304 1.00 1.24 C ATOM 308 NE ARG A 22 25.346 1.629 -4.180 1.00 1.34 N ATOM 309 CZ ARG A 22 24.527 2.580 -3.827 1.00 2.07 C ATOM 310 NH1 ARG A 22 23.871 2.491 -2.702 1.00 2.89 N ATOM 311 NH2 ARG A 22 24.364 3.620 -4.597 1.00 2.44 N ATOM 0 H ARG A 22 26.088 -3.802 -1.584 1.00 0.31 H new ATOM 0 HA ARG A 22 24.293 -2.179 -2.997 1.00 0.30 H new ATOM 0 HB2 ARG A 22 26.639 -1.613 -2.185 1.00 0.33 H new ATOM 0 HB3 ARG A 22 27.275 -2.494 -3.560 1.00 0.33 H new ATOM 0 HG2 ARG A 22 27.179 -0.329 -4.469 1.00 0.69 H new ATOM 0 HG3 ARG A 22 25.614 -0.941 -4.967 1.00 0.69 H new ATOM 0 HD2 ARG A 22 24.561 0.094 -2.935 1.00 1.24 H new ATOM 0 HD3 ARG A 22 26.125 0.702 -2.432 1.00 1.24 H new ATOM 0 HE ARG A 22 25.863 1.701 -5.056 1.00 1.34 H new ATOM 0 HH11 ARG A 22 23.999 1.678 -2.100 1.00 2.89 H new ATOM 0 HH12 ARG A 22 23.230 3.235 -2.425 1.00 2.89 H new ATOM 0 HH21 ARG A 22 24.877 3.689 -5.476 1.00 2.44 H new ATOM 0 HH22 ARG A 22 23.723 4.364 -4.321 1.00 2.44 H new ATOM 325 N ASN A 23 25.595 -4.582 -4.810 1.00 0.34 N ATOM 326 CA ASN A 23 25.477 -5.270 -6.128 1.00 0.37 C ATOM 327 C ASN A 23 24.061 -5.828 -6.289 1.00 0.37 C ATOM 328 O ASN A 23 23.796 -6.630 -7.162 1.00 0.40 O ATOM 329 CB ASN A 23 26.487 -6.417 -6.197 1.00 0.42 C ATOM 330 CG ASN A 23 27.888 -5.885 -5.889 1.00 1.47 C ATOM 331 OD1 ASN A 23 28.733 -5.828 -6.761 1.00 2.16 O ATOM 332 ND2 ASN A 23 28.171 -5.490 -4.679 1.00 2.38 N ATOM 0 H ASN A 23 26.163 -5.069 -4.117 1.00 0.34 H new ATOM 0 HA ASN A 23 25.680 -4.558 -6.928 1.00 0.37 H new ATOM 0 HB2 ASN A 23 26.218 -7.196 -5.484 1.00 0.42 H new ATOM 0 HB3 ASN A 23 26.469 -6.872 -7.187 1.00 0.42 H new ATOM 0 HD21 ASN A 23 29.102 -5.133 -4.464 1.00 2.38 H new ATOM 0 HD22 ASN A 23 27.461 -5.538 -3.948 1.00 2.38 H new ATOM 339 N PHE A 24 23.151 -5.417 -5.443 1.00 0.33 N ATOM 340 CA PHE A 24 21.744 -5.926 -5.529 1.00 0.33 C ATOM 341 C PHE A 24 20.778 -4.763 -5.285 1.00 0.30 C ATOM 342 O PHE A 24 19.668 -4.949 -4.829 1.00 0.28 O ATOM 343 CB PHE A 24 21.544 -7.003 -4.448 1.00 0.33 C ATOM 344 CG PHE A 24 20.374 -7.901 -4.797 1.00 0.35 C ATOM 345 CD1 PHE A 24 20.407 -8.675 -5.976 1.00 0.39 C ATOM 346 CD2 PHE A 24 19.260 -7.980 -3.938 1.00 0.35 C ATOM 347 CE1 PHE A 24 19.329 -9.520 -6.292 1.00 0.41 C ATOM 348 CE2 PHE A 24 18.181 -8.826 -4.257 1.00 0.37 C ATOM 349 CZ PHE A 24 18.216 -9.597 -5.434 1.00 0.41 C ATOM 0 H PHE A 24 23.321 -4.748 -4.692 1.00 0.33 H new ATOM 0 HA PHE A 24 21.553 -6.354 -6.513 1.00 0.33 H new ATOM 0 HB2 PHE A 24 22.451 -7.600 -4.350 1.00 0.33 H new ATOM 0 HB3 PHE A 24 21.369 -6.528 -3.482 1.00 0.33 H new ATOM 0 HD1 PHE A 24 21.260 -8.618 -6.636 1.00 0.39 H new ATOM 0 HD2 PHE A 24 19.234 -7.391 -3.033 1.00 0.35 H new ATOM 0 HE1 PHE A 24 19.355 -10.111 -7.195 1.00 0.41 H new ATOM 0 HE2 PHE A 24 17.327 -8.883 -3.599 1.00 0.37 H new ATOM 0 HZ PHE A 24 17.389 -10.247 -5.679 1.00 0.41 H new ATOM 359 N VAL A 25 21.198 -3.563 -5.589 1.00 0.30 N ATOM 360 CA VAL A 25 20.320 -2.374 -5.378 1.00 0.28 C ATOM 361 C VAL A 25 20.653 -1.315 -6.431 1.00 0.30 C ATOM 362 O VAL A 25 21.506 -0.474 -6.232 1.00 0.31 O ATOM 363 CB VAL A 25 20.570 -1.798 -3.980 1.00 0.24 C ATOM 364 CG1 VAL A 25 19.604 -0.643 -3.716 1.00 0.22 C ATOM 365 CG2 VAL A 25 20.347 -2.887 -2.928 1.00 0.23 C ATOM 0 H VAL A 25 22.118 -3.354 -5.977 1.00 0.30 H new ATOM 0 HA VAL A 25 19.274 -2.667 -5.467 1.00 0.28 H new ATOM 0 HB VAL A 25 21.597 -1.436 -3.923 1.00 0.24 H new ATOM 0 HG11 VAL A 25 19.786 -0.237 -2.721 1.00 0.22 H new ATOM 0 HG12 VAL A 25 19.759 0.138 -4.460 1.00 0.22 H new ATOM 0 HG13 VAL A 25 18.578 -1.005 -3.778 1.00 0.22 H new ATOM 0 HG21 VAL A 25 20.525 -2.475 -1.935 1.00 0.23 H new ATOM 0 HG22 VAL A 25 19.321 -3.250 -2.992 1.00 0.23 H new ATOM 0 HG23 VAL A 25 21.036 -3.713 -3.107 1.00 0.23 H new ATOM 375 N VAL A 26 19.988 -1.354 -7.555 1.00 0.33 N ATOM 376 CA VAL A 26 20.265 -0.357 -8.625 1.00 0.36 C ATOM 377 C VAL A 26 19.456 0.913 -8.374 1.00 0.35 C ATOM 378 O VAL A 26 19.680 1.934 -8.994 1.00 0.37 O ATOM 379 CB VAL A 26 19.871 -0.953 -9.976 1.00 0.41 C ATOM 380 CG1 VAL A 26 20.722 -2.192 -10.255 1.00 0.78 C ATOM 381 CG2 VAL A 26 18.392 -1.347 -9.951 1.00 0.61 C ATOM 0 H VAL A 26 19.263 -2.036 -7.777 1.00 0.33 H new ATOM 0 HA VAL A 26 21.326 -0.109 -8.624 1.00 0.36 H new ATOM 0 HB VAL A 26 20.037 -0.213 -10.759 1.00 0.41 H new ATOM 0 HG11 VAL A 26 20.441 -2.617 -11.219 1.00 0.78 H new ATOM 0 HG12 VAL A 26 21.775 -1.913 -10.275 1.00 0.78 H new ATOM 0 HG13 VAL A 26 20.557 -2.931 -9.471 1.00 0.78 H new ATOM 0 HG21 VAL A 26 18.112 -1.772 -10.915 1.00 0.61 H new ATOM 0 HG22 VAL A 26 18.225 -2.086 -9.167 1.00 0.61 H new ATOM 0 HG23 VAL A 26 17.784 -0.464 -9.753 1.00 0.61 H new ATOM 391 N ASP A 27 18.515 0.866 -7.473 1.00 0.32 N ATOM 392 CA ASP A 27 17.701 2.083 -7.199 1.00 0.31 C ATOM 393 C ASP A 27 16.850 1.854 -5.956 1.00 0.27 C ATOM 394 O ASP A 27 16.992 0.862 -5.269 1.00 0.25 O ATOM 395 CB ASP A 27 16.787 2.363 -8.395 1.00 0.34 C ATOM 396 CG ASP A 27 16.183 3.762 -8.266 1.00 0.35 C ATOM 397 OD1 ASP A 27 16.739 4.561 -7.530 1.00 1.09 O ATOM 398 OD2 ASP A 27 15.174 4.012 -8.904 1.00 1.13 O ATOM 0 H ASP A 27 18.275 0.044 -6.918 1.00 0.32 H new ATOM 0 HA ASP A 27 18.362 2.934 -7.037 1.00 0.31 H new ATOM 0 HB2 ASP A 27 17.353 2.285 -9.323 1.00 0.34 H new ATOM 0 HB3 ASP A 27 15.994 1.617 -8.441 1.00 0.34 H new ATOM 403 N TYR A 28 15.961 2.761 -5.656 1.00 0.26 N ATOM 404 CA TYR A 28 15.103 2.582 -4.454 1.00 0.23 C ATOM 405 C TYR A 28 13.817 3.388 -4.594 1.00 0.25 C ATOM 406 O TYR A 28 13.555 4.007 -5.606 1.00 0.29 O ATOM 407 CB TYR A 28 15.860 3.019 -3.195 1.00 0.19 C ATOM 408 CG TYR A 28 15.978 4.529 -3.135 1.00 0.21 C ATOM 409 CD1 TYR A 28 16.715 5.222 -4.115 1.00 0.25 C ATOM 410 CD2 TYR A 28 15.358 5.242 -2.089 1.00 0.19 C ATOM 411 CE1 TYR A 28 16.831 6.623 -4.050 1.00 0.26 C ATOM 412 CE2 TYR A 28 15.475 6.640 -2.021 1.00 0.22 C ATOM 413 CZ TYR A 28 16.211 7.333 -3.002 1.00 0.25 C ATOM 414 OH TYR A 28 16.326 8.707 -2.937 1.00 0.28 O ATOM 0 H TYR A 28 15.793 3.614 -6.189 1.00 0.26 H new ATOM 0 HA TYR A 28 14.847 1.526 -4.365 1.00 0.23 H new ATOM 0 HB2 TYR A 28 15.341 2.655 -2.308 1.00 0.19 H new ATOM 0 HB3 TYR A 28 16.854 2.571 -3.189 1.00 0.19 H new ATOM 0 HD1 TYR A 28 17.191 4.678 -4.917 1.00 0.25 H new ATOM 0 HD2 TYR A 28 14.791 4.712 -1.338 1.00 0.19 H new ATOM 0 HE1 TYR A 28 17.395 7.154 -4.803 1.00 0.26 H new ATOM 0 HE2 TYR A 28 15.001 7.183 -1.217 1.00 0.22 H new ATOM 0 HH TYR A 28 15.839 9.039 -2.154 1.00 0.28 H new ATOM 424 N TYR A 29 13.007 3.359 -3.581 1.00 0.23 N ATOM 425 CA TYR A 29 11.717 4.090 -3.622 1.00 0.25 C ATOM 426 C TYR A 29 11.219 4.276 -2.181 1.00 0.22 C ATOM 427 O TYR A 29 11.225 3.355 -1.399 1.00 0.23 O ATOM 428 CB TYR A 29 10.728 3.249 -4.448 1.00 0.29 C ATOM 429 CG TYR A 29 9.303 3.657 -4.159 1.00 0.31 C ATOM 430 CD1 TYR A 29 8.918 5.000 -4.308 1.00 0.36 C ATOM 431 CD2 TYR A 29 8.364 2.695 -3.739 1.00 0.35 C ATOM 432 CE1 TYR A 29 7.592 5.387 -4.037 1.00 0.39 C ATOM 433 CE2 TYR A 29 7.037 3.079 -3.468 1.00 0.38 C ATOM 434 CZ TYR A 29 6.651 4.426 -3.616 1.00 0.36 C ATOM 435 OH TYR A 29 5.350 4.805 -3.349 1.00 0.39 O ATOM 0 H TYR A 29 13.186 2.853 -2.714 1.00 0.23 H new ATOM 0 HA TYR A 29 11.821 5.073 -4.081 1.00 0.25 H new ATOM 0 HB2 TYR A 29 10.938 3.373 -5.510 1.00 0.29 H new ATOM 0 HB3 TYR A 29 10.862 2.192 -4.218 1.00 0.29 H new ATOM 0 HD1 TYR A 29 9.640 5.736 -4.631 1.00 0.36 H new ATOM 0 HD2 TYR A 29 8.662 1.663 -3.625 1.00 0.35 H new ATOM 0 HE1 TYR A 29 7.296 6.419 -4.152 1.00 0.39 H new ATOM 0 HE2 TYR A 29 6.316 2.342 -3.147 1.00 0.38 H new ATOM 0 HH TYR A 29 4.831 4.021 -3.071 1.00 0.39 H new ATOM 445 N GLU A 30 10.798 5.455 -1.814 1.00 0.22 N ATOM 446 CA GLU A 30 10.315 5.665 -0.411 1.00 0.20 C ATOM 447 C GLU A 30 8.807 5.391 -0.345 1.00 0.21 C ATOM 448 O GLU A 30 8.101 5.494 -1.328 1.00 0.24 O ATOM 449 CB GLU A 30 10.600 7.105 0.020 1.00 0.22 C ATOM 450 CG GLU A 30 12.080 7.253 0.385 1.00 0.25 C ATOM 451 CD GLU A 30 12.418 8.736 0.551 1.00 0.69 C ATOM 452 OE1 GLU A 30 12.729 9.367 -0.445 1.00 1.43 O ATOM 453 OE2 GLU A 30 12.361 9.215 1.672 1.00 1.35 O ATOM 0 H GLU A 30 10.766 6.278 -2.415 1.00 0.22 H new ATOM 0 HA GLU A 30 10.836 4.982 0.260 1.00 0.20 H new ATOM 0 HB2 GLU A 30 10.344 7.793 -0.786 1.00 0.22 H new ATOM 0 HB3 GLU A 30 9.977 7.369 0.875 1.00 0.22 H new ATOM 0 HG2 GLU A 30 12.294 6.715 1.308 1.00 0.25 H new ATOM 0 HG3 GLU A 30 12.703 6.812 -0.393 1.00 0.25 H new ATOM 460 N THR A 31 8.318 5.033 0.811 1.00 0.19 N ATOM 461 CA THR A 31 6.860 4.735 0.958 1.00 0.21 C ATOM 462 C THR A 31 6.045 6.029 0.928 1.00 0.25 C ATOM 463 O THR A 31 6.526 7.078 0.548 1.00 0.27 O ATOM 464 CB THR A 31 6.631 4.031 2.297 1.00 0.20 C ATOM 465 OG1 THR A 31 7.331 4.731 3.308 1.00 0.21 O ATOM 466 CG2 THR A 31 7.139 2.590 2.208 1.00 0.20 C ATOM 0 H THR A 31 8.866 4.933 1.665 1.00 0.19 H new ATOM 0 HA THR A 31 6.541 4.098 0.133 1.00 0.21 H new ATOM 0 HB THR A 31 5.567 4.016 2.535 1.00 0.20 H new ATOM 0 HG1 THR A 31 7.182 5.694 3.202 1.00 0.21 H new ATOM 0 HG21 THR A 31 6.976 2.087 3.161 1.00 0.20 H new ATOM 0 HG22 THR A 31 6.599 2.062 1.422 1.00 0.20 H new ATOM 0 HG23 THR A 31 8.204 2.593 1.977 1.00 0.20 H new ATOM 474 N SER A 32 4.805 5.950 1.331 1.00 0.27 N ATOM 475 CA SER A 32 3.931 7.154 1.339 1.00 0.31 C ATOM 476 C SER A 32 4.150 7.941 2.629 1.00 0.33 C ATOM 477 O SER A 32 5.246 8.025 3.145 1.00 0.33 O ATOM 478 CB SER A 32 2.472 6.709 1.265 1.00 0.33 C ATOM 479 OG SER A 32 2.299 5.849 0.147 1.00 1.27 O ATOM 0 H SER A 32 4.358 5.093 1.658 1.00 0.27 H new ATOM 0 HA SER A 32 4.173 7.786 0.485 1.00 0.31 H new ATOM 0 HB2 SER A 32 2.190 6.192 2.183 1.00 0.33 H new ATOM 0 HB3 SER A 32 1.819 7.577 1.175 1.00 0.33 H new ATOM 0 HG SER A 32 1.532 6.152 -0.383 1.00 1.27 H new ATOM 485 N SER A 33 3.104 8.521 3.149 1.00 0.36 N ATOM 486 CA SER A 33 3.219 9.315 4.409 1.00 0.40 C ATOM 487 C SER A 33 1.953 9.113 5.236 1.00 0.40 C ATOM 488 O SER A 33 1.990 9.056 6.449 1.00 0.42 O ATOM 489 CB SER A 33 3.349 10.792 4.057 1.00 0.46 C ATOM 490 OG SER A 33 2.061 11.326 3.785 1.00 0.48 O ATOM 0 H SER A 33 2.165 8.480 2.753 1.00 0.36 H new ATOM 0 HA SER A 33 4.092 8.991 4.975 1.00 0.40 H new ATOM 0 HB2 SER A 33 3.813 11.334 4.881 1.00 0.46 H new ATOM 0 HB3 SER A 33 3.997 10.915 3.189 1.00 0.46 H new ATOM 0 HG SER A 33 2.142 12.276 3.560 1.00 0.48 H new ATOM 496 N LEU A 34 0.832 9.013 4.573 1.00 0.39 N ATOM 497 CA LEU A 34 -0.470 8.819 5.280 1.00 0.39 C ATOM 498 C LEU A 34 -0.299 7.842 6.445 1.00 0.37 C ATOM 499 O LEU A 34 -0.600 8.152 7.581 1.00 0.40 O ATOM 500 CB LEU A 34 -1.499 8.246 4.304 1.00 0.36 C ATOM 501 CG LEU A 34 -1.419 8.974 2.962 1.00 0.39 C ATOM 502 CD1 LEU A 34 -2.568 8.508 2.067 1.00 0.40 C ATOM 503 CD2 LEU A 34 -1.525 10.485 3.189 1.00 0.45 C ATOM 0 H LEU A 34 0.761 9.058 3.556 1.00 0.39 H new ATOM 0 HA LEU A 34 -0.809 9.782 5.661 1.00 0.39 H new ATOM 0 HB2 LEU A 34 -1.319 7.181 4.159 1.00 0.36 H new ATOM 0 HB3 LEU A 34 -2.501 8.346 4.721 1.00 0.36 H new ATOM 0 HG LEU A 34 -0.467 8.750 2.481 1.00 0.39 H new ATOM 0 HD11 LEU A 34 -2.515 9.025 1.109 1.00 0.40 H new ATOM 0 HD12 LEU A 34 -2.490 7.433 1.905 1.00 0.40 H new ATOM 0 HD13 LEU A 34 -3.519 8.734 2.549 1.00 0.40 H new ATOM 0 HD21 LEU A 34 -1.468 11.002 2.231 1.00 0.45 H new ATOM 0 HD22 LEU A 34 -2.476 10.715 3.669 1.00 0.45 H new ATOM 0 HD23 LEU A 34 -0.707 10.815 3.829 1.00 0.45 H new ATOM 515 N CYS A 35 0.181 6.665 6.168 1.00 0.33 N ATOM 516 CA CYS A 35 0.368 5.667 7.254 1.00 0.34 C ATOM 517 C CYS A 35 1.511 6.122 8.167 1.00 0.39 C ATOM 518 O CYS A 35 2.579 6.476 7.714 1.00 0.38 O ATOM 519 CB CYS A 35 0.689 4.297 6.643 1.00 0.32 C ATOM 520 SG CYS A 35 1.796 4.499 5.227 1.00 0.39 S ATOM 0 H CYS A 35 0.452 6.350 5.236 1.00 0.33 H new ATOM 0 HA CYS A 35 -0.546 5.584 7.841 1.00 0.34 H new ATOM 0 HB2 CYS A 35 1.155 3.655 7.391 1.00 0.32 H new ATOM 0 HB3 CYS A 35 -0.231 3.804 6.329 1.00 0.32 H new ATOM 525 N SER A 36 1.279 6.141 9.448 1.00 0.44 N ATOM 526 CA SER A 36 2.335 6.589 10.404 1.00 0.51 C ATOM 527 C SER A 36 3.521 5.612 10.423 1.00 0.51 C ATOM 528 O SER A 36 4.153 5.435 11.445 1.00 0.58 O ATOM 529 CB SER A 36 1.735 6.676 11.807 1.00 0.59 C ATOM 530 OG SER A 36 1.653 5.370 12.365 1.00 1.41 O ATOM 0 H SER A 36 0.397 5.864 9.880 1.00 0.44 H new ATOM 0 HA SER A 36 2.699 7.565 10.082 1.00 0.51 H new ATOM 0 HB2 SER A 36 2.350 7.316 12.439 1.00 0.59 H new ATOM 0 HB3 SER A 36 0.744 7.128 11.764 1.00 0.59 H new ATOM 0 HG SER A 36 2.550 5.062 12.611 1.00 1.41 H new ATOM 536 N GLN A 37 3.841 4.969 9.327 1.00 0.45 N ATOM 537 CA GLN A 37 4.995 4.015 9.353 1.00 0.47 C ATOM 538 C GLN A 37 5.624 3.867 7.959 1.00 0.36 C ATOM 539 O GLN A 37 5.595 2.794 7.396 1.00 0.35 O ATOM 540 CB GLN A 37 4.502 2.646 9.830 1.00 0.55 C ATOM 541 CG GLN A 37 3.213 2.275 9.094 1.00 0.78 C ATOM 542 CD GLN A 37 2.761 0.879 9.524 1.00 0.79 C ATOM 543 OE1 GLN A 37 3.435 -0.098 9.264 1.00 1.24 O ATOM 544 NE2 GLN A 37 1.640 0.742 10.177 1.00 1.47 N ATOM 0 H GLN A 37 3.364 5.060 8.430 1.00 0.45 H new ATOM 0 HA GLN A 37 5.752 4.407 10.032 1.00 0.47 H new ATOM 0 HB2 GLN A 37 5.266 1.890 9.648 1.00 0.55 H new ATOM 0 HB3 GLN A 37 4.325 2.667 10.905 1.00 0.55 H new ATOM 0 HG2 GLN A 37 2.434 3.005 9.314 1.00 0.78 H new ATOM 0 HG3 GLN A 37 3.377 2.299 8.017 1.00 0.78 H new ATOM 0 HE21 GLN A 37 1.074 1.562 10.396 1.00 1.47 H new ATOM 0 HE22 GLN A 37 1.330 -0.185 10.469 1.00 1.47 H new ATOM 553 N PRO A 38 6.201 4.934 7.447 1.00 0.34 N ATOM 554 CA PRO A 38 6.864 4.893 6.127 1.00 0.26 C ATOM 555 C PRO A 38 8.115 4.006 6.225 1.00 0.25 C ATOM 556 O PRO A 38 8.447 3.493 7.274 1.00 0.27 O ATOM 557 CB PRO A 38 7.244 6.364 5.832 1.00 0.33 C ATOM 558 CG PRO A 38 6.947 7.189 7.119 1.00 0.43 C ATOM 559 CD PRO A 38 6.240 6.250 8.122 1.00 0.43 C ATOM 0 HA PRO A 38 6.235 4.480 5.338 1.00 0.26 H new ATOM 0 HB2 PRO A 38 8.297 6.441 5.561 1.00 0.33 H new ATOM 0 HB3 PRO A 38 6.669 6.747 4.989 1.00 0.33 H new ATOM 0 HG2 PRO A 38 7.871 7.579 7.546 1.00 0.43 H new ATOM 0 HG3 PRO A 38 6.316 8.047 6.887 1.00 0.43 H new ATOM 0 HD2 PRO A 38 6.786 6.195 9.064 1.00 0.43 H new ATOM 0 HD3 PRO A 38 5.236 6.605 8.355 1.00 0.43 H new ATOM 567 N ALA A 39 8.807 3.833 5.138 1.00 0.23 N ATOM 568 CA ALA A 39 10.034 2.999 5.142 1.00 0.22 C ATOM 569 C ALA A 39 10.732 3.185 3.799 1.00 0.19 C ATOM 570 O ALA A 39 10.167 3.742 2.878 1.00 0.22 O ATOM 571 CB ALA A 39 9.657 1.527 5.328 1.00 0.23 C ATOM 0 H ALA A 39 8.570 4.241 4.234 1.00 0.23 H new ATOM 0 HA ALA A 39 10.693 3.296 5.958 1.00 0.22 H new ATOM 0 HB1 ALA A 39 10.561 0.917 5.330 1.00 0.23 H new ATOM 0 HB2 ALA A 39 9.133 1.403 6.276 1.00 0.23 H new ATOM 0 HB3 ALA A 39 9.009 1.211 4.511 1.00 0.23 H new ATOM 577 N VAL A 40 11.943 2.713 3.661 1.00 0.15 N ATOM 578 CA VAL A 40 12.655 2.858 2.355 1.00 0.13 C ATOM 579 C VAL A 40 12.520 1.544 1.591 1.00 0.13 C ATOM 580 O VAL A 40 12.718 0.471 2.127 1.00 0.18 O ATOM 581 CB VAL A 40 14.136 3.176 2.595 1.00 0.12 C ATOM 582 CG1 VAL A 40 14.939 2.938 1.310 1.00 0.12 C ATOM 583 CG2 VAL A 40 14.267 4.643 2.999 1.00 0.16 C ATOM 0 H VAL A 40 12.469 2.235 4.392 1.00 0.15 H new ATOM 0 HA VAL A 40 12.219 3.674 1.779 1.00 0.13 H new ATOM 0 HB VAL A 40 14.521 2.530 3.384 1.00 0.12 H new ATOM 0 HG11 VAL A 40 15.990 3.166 1.490 1.00 0.12 H new ATOM 0 HG12 VAL A 40 14.841 1.895 1.008 1.00 0.12 H new ATOM 0 HG13 VAL A 40 14.558 3.583 0.518 1.00 0.12 H new ATOM 0 HG21 VAL A 40 15.317 4.880 3.172 1.00 0.16 H new ATOM 0 HG22 VAL A 40 13.879 5.276 2.201 1.00 0.16 H new ATOM 0 HG23 VAL A 40 13.699 4.821 3.912 1.00 0.16 H new ATOM 593 N VAL A 41 12.170 1.633 0.341 1.00 0.15 N ATOM 594 CA VAL A 41 11.996 0.412 -0.502 1.00 0.16 C ATOM 595 C VAL A 41 13.154 0.310 -1.493 1.00 0.16 C ATOM 596 O VAL A 41 13.339 1.163 -2.333 1.00 0.18 O ATOM 597 CB VAL A 41 10.670 0.525 -1.253 1.00 0.21 C ATOM 598 CG1 VAL A 41 10.249 -0.842 -1.782 1.00 0.25 C ATOM 599 CG2 VAL A 41 9.602 1.045 -0.290 1.00 0.23 C ATOM 0 H VAL A 41 11.993 2.513 -0.144 1.00 0.15 H new ATOM 0 HA VAL A 41 11.989 -0.482 0.122 1.00 0.16 H new ATOM 0 HB VAL A 41 10.786 1.209 -2.094 1.00 0.21 H new ATOM 0 HG11 VAL A 41 9.303 -0.750 -2.315 1.00 0.25 H new ATOM 0 HG12 VAL A 41 11.013 -1.221 -2.461 1.00 0.25 H new ATOM 0 HG13 VAL A 41 10.130 -1.534 -0.948 1.00 0.25 H new ATOM 0 HG21 VAL A 41 8.650 1.130 -0.814 1.00 0.23 H new ATOM 0 HG22 VAL A 41 9.496 0.352 0.545 1.00 0.23 H new ATOM 0 HG23 VAL A 41 9.898 2.024 0.087 1.00 0.23 H new ATOM 609 N PHE A 42 13.949 -0.720 -1.395 1.00 0.15 N ATOM 610 CA PHE A 42 15.108 -0.857 -2.326 1.00 0.17 C ATOM 611 C PHE A 42 14.710 -1.652 -3.567 1.00 0.21 C ATOM 612 O PHE A 42 14.075 -2.686 -3.487 1.00 0.23 O ATOM 613 CB PHE A 42 16.252 -1.583 -1.611 1.00 0.16 C ATOM 614 CG PHE A 42 16.952 -0.621 -0.679 1.00 0.14 C ATOM 615 CD1 PHE A 42 17.663 0.471 -1.209 1.00 0.14 C ATOM 616 CD2 PHE A 42 16.892 -0.815 0.711 1.00 0.13 C ATOM 617 CE1 PHE A 42 18.319 1.370 -0.347 1.00 0.14 C ATOM 618 CE2 PHE A 42 17.547 0.081 1.574 1.00 0.14 C ATOM 619 CZ PHE A 42 18.261 1.175 1.045 1.00 0.14 C ATOM 0 H PHE A 42 13.848 -1.472 -0.713 1.00 0.15 H new ATOM 0 HA PHE A 42 15.428 0.139 -2.632 1.00 0.17 H new ATOM 0 HB2 PHE A 42 15.864 -2.433 -1.050 1.00 0.16 H new ATOM 0 HB3 PHE A 42 16.958 -1.979 -2.341 1.00 0.16 H new ATOM 0 HD1 PHE A 42 17.706 0.620 -2.278 1.00 0.14 H new ATOM 0 HD2 PHE A 42 16.343 -1.652 1.117 1.00 0.13 H new ATOM 0 HE1 PHE A 42 18.866 2.208 -0.754 1.00 0.14 H new ATOM 0 HE2 PHE A 42 17.503 -0.069 2.643 1.00 0.14 H new ATOM 0 HZ PHE A 42 18.764 1.864 1.708 1.00 0.14 H new ATOM 629 N GLN A 43 15.113 -1.182 -4.716 1.00 0.24 N ATOM 630 CA GLN A 43 14.807 -1.900 -5.985 1.00 0.28 C ATOM 631 C GLN A 43 16.040 -2.738 -6.333 1.00 0.30 C ATOM 632 O GLN A 43 17.132 -2.209 -6.455 1.00 0.30 O ATOM 633 CB GLN A 43 14.530 -0.867 -7.080 1.00 0.32 C ATOM 634 CG GLN A 43 13.306 -0.029 -6.695 1.00 0.32 C ATOM 635 CD GLN A 43 13.249 1.224 -7.571 1.00 0.58 C ATOM 636 OE1 GLN A 43 12.882 2.286 -7.109 1.00 1.29 O ATOM 637 NE2 GLN A 43 13.600 1.143 -8.826 1.00 1.31 N ATOM 0 H GLN A 43 15.648 -0.321 -4.830 1.00 0.24 H new ATOM 0 HA GLN A 43 13.932 -2.543 -5.889 1.00 0.28 H new ATOM 0 HB2 GLN A 43 15.398 -0.222 -7.214 1.00 0.32 H new ATOM 0 HB3 GLN A 43 14.356 -1.368 -8.032 1.00 0.32 H new ATOM 0 HG2 GLN A 43 12.396 -0.616 -6.821 1.00 0.32 H new ATOM 0 HG3 GLN A 43 13.361 0.252 -5.643 1.00 0.32 H new ATOM 0 HE21 GLN A 43 13.908 0.251 -9.213 1.00 1.31 H new ATOM 0 HE22 GLN A 43 13.566 1.972 -9.420 1.00 1.31 H new ATOM 646 N THR A 44 15.901 -4.045 -6.444 1.00 0.32 N ATOM 647 CA THR A 44 17.111 -4.900 -6.719 1.00 0.34 C ATOM 648 C THR A 44 17.220 -5.275 -8.196 1.00 0.39 C ATOM 649 O THR A 44 16.745 -4.580 -9.071 1.00 0.41 O ATOM 650 CB THR A 44 17.023 -6.185 -5.897 1.00 0.34 C ATOM 651 OG1 THR A 44 16.191 -7.113 -6.573 1.00 0.38 O ATOM 652 CG2 THR A 44 16.427 -5.866 -4.526 1.00 0.29 C ATOM 0 H THR A 44 15.019 -4.550 -6.358 1.00 0.32 H new ATOM 0 HA THR A 44 17.992 -4.320 -6.444 1.00 0.34 H new ATOM 0 HB THR A 44 18.017 -6.613 -5.769 1.00 0.34 H new ATOM 0 HG1 THR A 44 16.542 -8.019 -6.447 1.00 0.38 H new ATOM 0 HG21 THR A 44 16.362 -6.780 -3.936 1.00 0.29 H new ATOM 0 HG22 THR A 44 17.063 -5.146 -4.011 1.00 0.29 H new ATOM 0 HG23 THR A 44 15.430 -5.444 -4.652 1.00 0.29 H new ATOM 660 N LYS A 45 17.873 -6.382 -8.464 1.00 0.43 N ATOM 661 CA LYS A 45 18.071 -6.853 -9.870 1.00 0.48 C ATOM 662 C LYS A 45 17.360 -8.196 -10.078 1.00 0.51 C ATOM 663 O LYS A 45 16.964 -8.526 -11.179 1.00 0.56 O ATOM 664 CB LYS A 45 19.572 -7.046 -10.123 1.00 0.50 C ATOM 665 CG LYS A 45 20.358 -5.862 -9.556 1.00 0.46 C ATOM 666 CD LYS A 45 21.850 -6.070 -9.831 1.00 0.49 C ATOM 667 CE LYS A 45 22.632 -4.811 -9.449 1.00 0.54 C ATOM 668 NZ LYS A 45 24.072 -5.157 -9.279 1.00 1.55 N ATOM 0 H LYS A 45 18.284 -6.988 -7.754 1.00 0.43 H new ATOM 0 HA LYS A 45 17.660 -6.114 -10.558 1.00 0.48 H new ATOM 0 HB2 LYS A 45 19.911 -7.973 -9.659 1.00 0.50 H new ATOM 0 HB3 LYS A 45 19.759 -7.138 -11.193 1.00 0.50 H new ATOM 0 HG2 LYS A 45 20.018 -4.932 -10.012 1.00 0.46 H new ATOM 0 HG3 LYS A 45 20.182 -5.774 -8.484 1.00 0.46 H new ATOM 0 HD2 LYS A 45 22.218 -6.924 -9.262 1.00 0.49 H new ATOM 0 HD3 LYS A 45 22.006 -6.299 -10.885 1.00 0.49 H new ATOM 0 HE2 LYS A 45 22.518 -4.050 -10.221 1.00 0.54 H new ATOM 0 HE3 LYS A 45 22.236 -4.390 -8.525 1.00 0.54 H new ATOM 0 HZ1 LYS A 45 24.572 -4.357 -8.842 1.00 1.55 H new ATOM 0 HZ2 LYS A 45 24.158 -5.994 -8.668 1.00 1.55 H new ATOM 0 HZ3 LYS A 45 24.492 -5.362 -10.208 1.00 1.55 H new ATOM 682 N ARG A 46 17.203 -8.976 -9.031 1.00 0.50 N ATOM 683 CA ARG A 46 16.526 -10.310 -9.159 1.00 0.54 C ATOM 684 C ARG A 46 15.292 -10.311 -8.254 1.00 0.49 C ATOM 685 O ARG A 46 15.053 -11.221 -7.491 1.00 0.48 O ATOM 686 CB ARG A 46 17.508 -11.421 -8.736 1.00 0.59 C ATOM 687 CG ARG A 46 17.112 -12.787 -9.344 1.00 0.72 C ATOM 688 CD ARG A 46 15.972 -13.449 -8.557 1.00 0.92 C ATOM 689 NE ARG A 46 15.987 -14.915 -8.817 1.00 1.48 N ATOM 690 CZ ARG A 46 15.332 -15.723 -8.027 1.00 2.13 C ATOM 691 NH1 ARG A 46 14.679 -15.245 -7.003 1.00 2.62 N ATOM 692 NH2 ARG A 46 15.335 -17.007 -8.260 1.00 2.82 N ATOM 0 H ARG A 46 17.517 -8.744 -8.088 1.00 0.50 H new ATOM 0 HA ARG A 46 16.221 -10.491 -10.190 1.00 0.54 H new ATOM 0 HB2 ARG A 46 18.517 -11.158 -9.055 1.00 0.59 H new ATOM 0 HB3 ARG A 46 17.527 -11.497 -7.649 1.00 0.59 H new ATOM 0 HG2 ARG A 46 16.806 -12.649 -10.381 1.00 0.72 H new ATOM 0 HG3 ARG A 46 17.980 -13.447 -9.353 1.00 0.72 H new ATOM 0 HD2 ARG A 46 16.089 -13.255 -7.491 1.00 0.92 H new ATOM 0 HD3 ARG A 46 15.013 -13.024 -8.855 1.00 0.92 H new ATOM 0 HE ARG A 46 16.508 -15.288 -9.611 1.00 1.48 H new ATOM 0 HH11 ARG A 46 14.681 -14.241 -6.820 1.00 2.62 H new ATOM 0 HH12 ARG A 46 14.167 -15.875 -6.385 1.00 2.62 H new ATOM 0 HH21 ARG A 46 15.849 -17.379 -9.059 1.00 2.82 H new ATOM 0 HH22 ARG A 46 14.824 -17.638 -7.643 1.00 2.82 H new ATOM 706 N SER A 47 14.506 -9.282 -8.338 1.00 0.46 N ATOM 707 CA SER A 47 13.283 -9.200 -7.514 1.00 0.42 C ATOM 708 C SER A 47 12.457 -8.031 -8.030 1.00 0.42 C ATOM 709 O SER A 47 12.081 -7.984 -9.185 1.00 0.46 O ATOM 710 CB SER A 47 13.648 -8.998 -6.035 1.00 0.38 C ATOM 711 OG SER A 47 14.094 -7.667 -5.827 1.00 1.07 O ATOM 0 H SER A 47 14.664 -8.484 -8.953 1.00 0.46 H new ATOM 0 HA SER A 47 12.710 -10.125 -7.586 1.00 0.42 H new ATOM 0 HB2 SER A 47 12.782 -9.203 -5.406 1.00 0.38 H new ATOM 0 HB3 SER A 47 14.428 -9.702 -5.744 1.00 0.38 H new ATOM 0 HG SER A 47 15.036 -7.593 -6.087 1.00 1.07 H new ATOM 717 N LYS A 48 12.190 -7.083 -7.200 1.00 0.38 N ATOM 718 CA LYS A 48 11.413 -5.906 -7.640 1.00 0.40 C ATOM 719 C LYS A 48 11.621 -4.799 -6.620 1.00 0.35 C ATOM 720 O LYS A 48 12.392 -3.885 -6.826 1.00 0.34 O ATOM 721 CB LYS A 48 9.929 -6.265 -7.735 1.00 0.44 C ATOM 722 CG LYS A 48 9.179 -5.113 -8.401 1.00 1.11 C ATOM 723 CD LYS A 48 7.693 -5.466 -8.529 1.00 1.38 C ATOM 724 CE LYS A 48 7.030 -4.537 -9.551 1.00 2.13 C ATOM 725 NZ LYS A 48 7.616 -3.171 -9.434 1.00 2.73 N ATOM 0 H LYS A 48 12.479 -7.069 -6.222 1.00 0.38 H new ATOM 0 HA LYS A 48 11.746 -5.577 -8.624 1.00 0.40 H new ATOM 0 HB2 LYS A 48 9.800 -7.181 -8.311 1.00 0.44 H new ATOM 0 HB3 LYS A 48 9.523 -6.454 -6.741 1.00 0.44 H new ATOM 0 HG2 LYS A 48 9.297 -4.202 -7.813 1.00 1.11 H new ATOM 0 HG3 LYS A 48 9.601 -4.913 -9.386 1.00 1.11 H new ATOM 0 HD2 LYS A 48 7.581 -6.505 -8.840 1.00 1.38 H new ATOM 0 HD3 LYS A 48 7.201 -5.369 -7.561 1.00 1.38 H new ATOM 0 HE2 LYS A 48 7.179 -4.923 -10.559 1.00 2.13 H new ATOM 0 HE3 LYS A 48 5.954 -4.499 -9.380 1.00 2.13 H new ATOM 0 HZ1 LYS A 48 6.983 -2.482 -9.888 1.00 2.73 H new ATOM 0 HZ2 LYS A 48 7.730 -2.927 -8.429 1.00 2.73 H new ATOM 0 HZ3 LYS A 48 8.544 -3.150 -9.903 1.00 2.73 H new ATOM 739 N GLN A 49 10.940 -4.895 -5.510 1.00 0.33 N ATOM 740 CA GLN A 49 11.068 -3.873 -4.434 1.00 0.30 C ATOM 741 C GLN A 49 11.188 -4.594 -3.083 1.00 0.25 C ATOM 742 O GLN A 49 10.610 -5.643 -2.871 1.00 0.26 O ATOM 743 CB GLN A 49 9.806 -2.987 -4.452 1.00 0.35 C ATOM 744 CG GLN A 49 10.064 -1.707 -5.257 1.00 0.82 C ATOM 745 CD GLN A 49 8.822 -0.816 -5.209 1.00 0.89 C ATOM 746 OE1 GLN A 49 8.832 0.290 -5.713 1.00 1.53 O ATOM 747 NE2 GLN A 49 7.741 -1.253 -4.621 1.00 1.52 N ATOM 0 H GLN A 49 10.289 -5.652 -5.301 1.00 0.33 H new ATOM 0 HA GLN A 49 11.951 -3.252 -4.589 1.00 0.30 H new ATOM 0 HB2 GLN A 49 8.973 -3.538 -4.889 1.00 0.35 H new ATOM 0 HB3 GLN A 49 9.519 -2.731 -3.432 1.00 0.35 H new ATOM 0 HG2 GLN A 49 10.923 -1.174 -4.848 1.00 0.82 H new ATOM 0 HG3 GLN A 49 10.306 -1.957 -6.290 1.00 0.82 H new ATOM 0 HE21 GLN A 49 7.730 -2.181 -4.197 1.00 1.52 H new ATOM 0 HE22 GLN A 49 6.907 -0.667 -4.585 1.00 1.52 H new ATOM 756 N VAL A 50 11.936 -4.033 -2.167 1.00 0.23 N ATOM 757 CA VAL A 50 12.099 -4.668 -0.823 1.00 0.19 C ATOM 758 C VAL A 50 12.049 -3.588 0.250 1.00 0.16 C ATOM 759 O VAL A 50 12.788 -2.627 0.208 1.00 0.15 O ATOM 760 CB VAL A 50 13.447 -5.394 -0.761 1.00 0.22 C ATOM 761 CG1 VAL A 50 13.495 -6.271 0.492 1.00 0.24 C ATOM 762 CG2 VAL A 50 13.609 -6.262 -2.013 1.00 0.31 C ATOM 0 H VAL A 50 12.444 -3.157 -2.293 1.00 0.23 H new ATOM 0 HA VAL A 50 11.296 -5.386 -0.656 1.00 0.19 H new ATOM 0 HB VAL A 50 14.258 -4.667 -0.719 1.00 0.22 H new ATOM 0 HG11 VAL A 50 14.453 -6.788 0.538 1.00 0.24 H new ATOM 0 HG12 VAL A 50 13.377 -5.647 1.378 1.00 0.24 H new ATOM 0 HG13 VAL A 50 12.689 -7.004 0.454 1.00 0.24 H new ATOM 0 HG21 VAL A 50 14.567 -6.781 -1.974 1.00 0.31 H new ATOM 0 HG22 VAL A 50 12.802 -6.993 -2.056 1.00 0.31 H new ATOM 0 HG23 VAL A 50 13.574 -5.630 -2.901 1.00 0.31 H new ATOM 772 N CYS A 51 11.185 -3.738 1.215 1.00 0.16 N ATOM 773 CA CYS A 51 11.084 -2.715 2.287 1.00 0.15 C ATOM 774 C CYS A 51 12.301 -2.829 3.202 1.00 0.14 C ATOM 775 O CYS A 51 12.874 -3.889 3.358 1.00 0.16 O ATOM 776 CB CYS A 51 9.810 -2.959 3.096 1.00 0.17 C ATOM 777 SG CYS A 51 8.364 -2.726 2.031 1.00 0.21 S ATOM 0 H CYS A 51 10.545 -4.527 1.306 1.00 0.16 H new ATOM 0 HA CYS A 51 11.050 -1.718 1.848 1.00 0.15 H new ATOM 0 HB2 CYS A 51 9.814 -3.969 3.505 1.00 0.17 H new ATOM 0 HB3 CYS A 51 9.766 -2.273 3.942 1.00 0.17 H new ATOM 782 N ALA A 52 12.712 -1.740 3.800 1.00 0.12 N ATOM 783 CA ALA A 52 13.909 -1.783 4.697 1.00 0.13 C ATOM 784 C ALA A 52 13.705 -0.842 5.887 1.00 0.15 C ATOM 785 O ALA A 52 13.245 0.273 5.742 1.00 0.15 O ATOM 786 CB ALA A 52 15.142 -1.334 3.910 1.00 0.11 C ATOM 0 H ALA A 52 12.272 -0.824 3.707 1.00 0.12 H new ATOM 0 HA ALA A 52 14.047 -2.801 5.062 1.00 0.13 H new ATOM 0 HB1 ALA A 52 16.018 -1.363 4.558 1.00 0.11 H new ATOM 0 HB2 ALA A 52 15.296 -2.002 3.062 1.00 0.11 H new ATOM 0 HB3 ALA A 52 14.992 -0.317 3.548 1.00 0.11 H new ATOM 792 N ASP A 53 14.054 -1.289 7.065 1.00 0.18 N ATOM 793 CA ASP A 53 13.892 -0.432 8.275 1.00 0.22 C ATOM 794 C ASP A 53 14.907 0.739 8.209 1.00 0.21 C ATOM 795 O ASP A 53 16.094 0.487 8.222 1.00 0.22 O ATOM 796 CB ASP A 53 14.190 -1.272 9.519 1.00 0.27 C ATOM 797 CG ASP A 53 13.785 -0.491 10.771 1.00 1.35 C ATOM 798 OD1 ASP A 53 13.741 0.726 10.697 1.00 2.17 O ATOM 799 OD2 ASP A 53 13.528 -1.123 11.782 1.00 2.10 O ATOM 0 H ASP A 53 14.446 -2.214 7.241 1.00 0.18 H new ATOM 0 HA ASP A 53 12.876 -0.041 8.318 1.00 0.22 H new ATOM 0 HB2 ASP A 53 13.645 -2.215 9.473 1.00 0.27 H new ATOM 0 HB3 ASP A 53 15.251 -1.519 9.559 1.00 0.27 H new ATOM 804 N PRO A 54 14.452 1.986 8.139 1.00 0.22 N ATOM 805 CA PRO A 54 15.389 3.129 8.072 1.00 0.24 C ATOM 806 C PRO A 54 16.286 3.164 9.321 1.00 0.28 C ATOM 807 O PRO A 54 17.202 3.958 9.417 1.00 0.30 O ATOM 808 CB PRO A 54 14.488 4.385 8.003 1.00 0.27 C ATOM 809 CG PRO A 54 13.008 3.905 8.004 1.00 0.27 C ATOM 810 CD PRO A 54 13.018 2.365 8.119 1.00 0.24 C ATOM 0 HA PRO A 54 16.057 3.064 7.213 1.00 0.24 H new ATOM 0 HB2 PRO A 54 14.678 5.040 8.853 1.00 0.27 H new ATOM 0 HB3 PRO A 54 14.703 4.961 7.103 1.00 0.27 H new ATOM 0 HG2 PRO A 54 12.462 4.348 8.837 1.00 0.27 H new ATOM 0 HG3 PRO A 54 12.503 4.218 7.090 1.00 0.27 H new ATOM 0 HD2 PRO A 54 12.511 2.034 9.025 1.00 0.24 H new ATOM 0 HD3 PRO A 54 12.500 1.904 7.278 1.00 0.24 H new ATOM 818 N SER A 55 16.017 2.329 10.283 1.00 0.31 N ATOM 819 CA SER A 55 16.837 2.334 11.531 1.00 0.36 C ATOM 820 C SER A 55 18.169 1.608 11.305 1.00 0.36 C ATOM 821 O SER A 55 19.094 1.747 12.079 1.00 0.40 O ATOM 822 CB SER A 55 16.063 1.632 12.647 1.00 0.40 C ATOM 823 OG SER A 55 16.797 1.730 13.860 1.00 1.42 O ATOM 0 H SER A 55 15.264 1.641 10.262 1.00 0.31 H new ATOM 0 HA SER A 55 17.043 3.367 11.810 1.00 0.36 H new ATOM 0 HB2 SER A 55 15.080 2.087 12.766 1.00 0.40 H new ATOM 0 HB3 SER A 55 15.901 0.585 12.390 1.00 0.40 H new ATOM 0 HG SER A 55 17.739 1.908 13.659 1.00 1.42 H new ATOM 829 N GLU A 56 18.279 0.833 10.259 1.00 0.33 N ATOM 830 CA GLU A 56 19.559 0.105 10.006 1.00 0.34 C ATOM 831 C GLU A 56 20.558 1.047 9.318 1.00 0.33 C ATOM 832 O GLU A 56 20.294 1.599 8.270 1.00 0.29 O ATOM 833 CB GLU A 56 19.283 -1.111 9.119 1.00 0.31 C ATOM 834 CG GLU A 56 18.727 -2.259 9.968 1.00 0.35 C ATOM 835 CD GLU A 56 18.314 -3.417 9.057 1.00 1.30 C ATOM 836 OE1 GLU A 56 17.482 -3.196 8.192 1.00 2.01 O ATOM 837 OE2 GLU A 56 18.835 -4.505 9.240 1.00 2.08 O ATOM 0 H GLU A 56 17.543 0.672 9.572 1.00 0.33 H new ATOM 0 HA GLU A 56 19.985 -0.232 10.951 1.00 0.34 H new ATOM 0 HB2 GLU A 56 18.571 -0.848 8.337 1.00 0.31 H new ATOM 0 HB3 GLU A 56 20.201 -1.426 8.622 1.00 0.31 H new ATOM 0 HG2 GLU A 56 19.480 -2.595 10.681 1.00 0.35 H new ATOM 0 HG3 GLU A 56 17.870 -1.915 10.547 1.00 0.35 H new ATOM 844 N SER A 57 21.696 1.239 9.922 1.00 0.37 N ATOM 845 CA SER A 57 22.728 2.152 9.350 1.00 0.38 C ATOM 846 C SER A 57 22.988 1.862 7.866 1.00 0.35 C ATOM 847 O SER A 57 23.131 2.771 7.073 1.00 0.34 O ATOM 848 CB SER A 57 24.033 1.979 10.128 1.00 0.44 C ATOM 849 OG SER A 57 24.411 0.609 10.113 1.00 1.37 O ATOM 0 H SER A 57 21.960 0.796 10.802 1.00 0.37 H new ATOM 0 HA SER A 57 22.358 3.174 9.434 1.00 0.38 H new ATOM 0 HB2 SER A 57 24.819 2.590 9.683 1.00 0.44 H new ATOM 0 HB3 SER A 57 23.906 2.322 11.155 1.00 0.44 H new ATOM 0 HG SER A 57 25.248 0.495 10.610 1.00 1.37 H new ATOM 855 N TRP A 58 23.077 0.619 7.479 1.00 0.34 N ATOM 856 CA TRP A 58 23.359 0.320 6.043 1.00 0.32 C ATOM 857 C TRP A 58 22.271 0.931 5.167 1.00 0.27 C ATOM 858 O TRP A 58 22.509 1.305 4.037 1.00 0.27 O ATOM 859 CB TRP A 58 23.474 -1.192 5.824 1.00 0.34 C ATOM 860 CG TRP A 58 22.140 -1.859 5.827 1.00 0.31 C ATOM 861 CD1 TRP A 58 21.664 -2.615 6.841 1.00 0.32 C ATOM 862 CD2 TRP A 58 21.133 -1.901 4.774 1.00 0.27 C ATOM 863 NE1 TRP A 58 20.431 -3.122 6.481 1.00 0.29 N ATOM 864 CE2 TRP A 58 20.051 -2.704 5.224 1.00 0.26 C ATOM 865 CE3 TRP A 58 21.047 -1.325 3.485 1.00 0.27 C ATOM 866 CZ2 TRP A 58 18.922 -2.929 4.425 1.00 0.25 C ATOM 867 CZ3 TRP A 58 19.912 -1.549 2.677 1.00 0.27 C ATOM 868 CH2 TRP A 58 18.852 -2.349 3.148 1.00 0.26 C ATOM 0 H TRP A 58 22.969 -0.194 8.085 1.00 0.34 H new ATOM 0 HA TRP A 58 24.313 0.765 5.762 1.00 0.32 H new ATOM 0 HB2 TRP A 58 23.973 -1.384 4.874 1.00 0.34 H new ATOM 0 HB3 TRP A 58 24.098 -1.625 6.606 1.00 0.34 H new ATOM 0 HD1 TRP A 58 22.166 -2.794 7.780 1.00 0.32 H new ATOM 0 HE1 TRP A 58 19.869 -3.733 7.074 1.00 0.29 H new ATOM 0 HE3 TRP A 58 21.855 -0.710 3.117 1.00 0.27 H new ATOM 0 HZ2 TRP A 58 18.112 -3.544 4.789 1.00 0.25 H new ATOM 0 HZ3 TRP A 58 19.856 -1.106 1.694 1.00 0.27 H new ATOM 0 HH2 TRP A 58 17.985 -2.516 2.526 1.00 0.26 H new ATOM 879 N VAL A 59 21.085 1.069 5.679 1.00 0.24 N ATOM 880 CA VAL A 59 20.004 1.683 4.865 1.00 0.20 C ATOM 881 C VAL A 59 20.328 3.156 4.654 1.00 0.22 C ATOM 882 O VAL A 59 20.300 3.657 3.549 1.00 0.21 O ATOM 883 CB VAL A 59 18.676 1.541 5.605 1.00 0.19 C ATOM 884 CG1 VAL A 59 17.552 2.198 4.800 1.00 0.18 C ATOM 885 CG2 VAL A 59 18.386 0.053 5.794 1.00 0.19 C ATOM 0 H VAL A 59 20.817 0.785 6.621 1.00 0.24 H new ATOM 0 HA VAL A 59 19.928 1.185 3.899 1.00 0.20 H new ATOM 0 HB VAL A 59 18.735 2.035 6.575 1.00 0.19 H new ATOM 0 HG11 VAL A 59 16.609 2.091 5.337 1.00 0.18 H new ATOM 0 HG12 VAL A 59 17.773 3.256 4.663 1.00 0.18 H new ATOM 0 HG13 VAL A 59 17.472 1.715 3.826 1.00 0.18 H new ATOM 0 HG21 VAL A 59 17.440 -0.069 6.322 1.00 0.19 H new ATOM 0 HG22 VAL A 59 18.324 -0.432 4.820 1.00 0.19 H new ATOM 0 HG23 VAL A 59 19.187 -0.403 6.376 1.00 0.19 H new ATOM 895 N GLN A 60 20.648 3.854 5.704 1.00 0.25 N ATOM 896 CA GLN A 60 20.990 5.296 5.556 1.00 0.28 C ATOM 897 C GLN A 60 22.268 5.436 4.723 1.00 0.30 C ATOM 898 O GLN A 60 22.388 6.313 3.891 1.00 0.31 O ATOM 899 CB GLN A 60 21.207 5.918 6.937 1.00 0.33 C ATOM 900 CG GLN A 60 21.656 7.371 6.777 1.00 1.25 C ATOM 901 CD GLN A 60 21.550 8.090 8.124 1.00 1.65 C ATOM 902 OE1 GLN A 60 20.564 8.744 8.400 1.00 2.33 O ATOM 903 NE2 GLN A 60 22.531 7.997 8.979 1.00 2.14 N ATOM 0 H GLN A 60 20.688 3.492 6.657 1.00 0.25 H new ATOM 0 HA GLN A 60 20.172 5.812 5.054 1.00 0.28 H new ATOM 0 HB2 GLN A 60 20.285 5.873 7.517 1.00 0.33 H new ATOM 0 HB3 GLN A 60 21.958 5.353 7.488 1.00 0.33 H new ATOM 0 HG2 GLN A 60 22.683 7.407 6.413 1.00 1.25 H new ATOM 0 HG3 GLN A 60 21.037 7.874 6.034 1.00 1.25 H new ATOM 0 HE21 GLN A 60 23.359 7.448 8.748 1.00 2.14 H new ATOM 0 HE22 GLN A 60 22.470 8.473 9.879 1.00 2.14 H new ATOM 912 N GLU A 61 23.225 4.577 4.946 1.00 0.31 N ATOM 913 CA GLU A 61 24.501 4.655 4.176 1.00 0.33 C ATOM 914 C GLU A 61 24.239 4.367 2.696 1.00 0.31 C ATOM 915 O GLU A 61 24.693 5.082 1.824 1.00 0.32 O ATOM 916 CB GLU A 61 25.491 3.627 4.727 1.00 0.35 C ATOM 917 CG GLU A 61 26.875 3.876 4.124 1.00 0.40 C ATOM 918 CD GLU A 61 27.826 2.756 4.548 1.00 1.29 C ATOM 919 OE1 GLU A 61 28.200 2.730 5.709 1.00 2.03 O ATOM 920 OE2 GLU A 61 28.166 1.943 3.703 1.00 1.99 O ATOM 0 H GLU A 61 23.179 3.822 5.630 1.00 0.31 H new ATOM 0 HA GLU A 61 24.917 5.657 4.276 1.00 0.33 H new ATOM 0 HB2 GLU A 61 25.538 3.698 5.814 1.00 0.35 H new ATOM 0 HB3 GLU A 61 25.155 2.618 4.488 1.00 0.35 H new ATOM 0 HG2 GLU A 61 26.807 3.918 3.037 1.00 0.40 H new ATOM 0 HG3 GLU A 61 27.260 4.840 4.457 1.00 0.40 H new ATOM 927 N TYR A 62 23.514 3.323 2.406 1.00 0.28 N ATOM 928 CA TYR A 62 23.225 2.983 0.983 1.00 0.28 C ATOM 929 C TYR A 62 22.435 4.121 0.328 1.00 0.28 C ATOM 930 O TYR A 62 22.608 4.413 -0.838 1.00 0.30 O ATOM 931 CB TYR A 62 22.409 1.679 0.921 1.00 0.25 C ATOM 932 CG TYR A 62 23.324 0.466 1.006 1.00 0.27 C ATOM 933 CD1 TYR A 62 24.310 0.374 2.011 1.00 0.29 C ATOM 934 CD2 TYR A 62 23.178 -0.582 0.072 1.00 0.27 C ATOM 935 CE1 TYR A 62 25.143 -0.759 2.080 1.00 0.32 C ATOM 936 CE2 TYR A 62 24.013 -1.712 0.142 1.00 0.29 C ATOM 937 CZ TYR A 62 24.995 -1.801 1.146 1.00 0.31 C ATOM 938 OH TYR A 62 25.813 -2.911 1.215 1.00 0.34 O ATOM 0 H TYR A 62 23.108 2.689 3.094 1.00 0.28 H new ATOM 0 HA TYR A 62 24.164 2.847 0.447 1.00 0.28 H new ATOM 0 HB2 TYR A 62 21.689 1.656 1.739 1.00 0.25 H new ATOM 0 HB3 TYR A 62 21.838 1.645 -0.007 1.00 0.25 H new ATOM 0 HD1 TYR A 62 24.426 1.173 2.728 1.00 0.29 H new ATOM 0 HD2 TYR A 62 22.424 -0.516 -0.698 1.00 0.27 H new ATOM 0 HE1 TYR A 62 25.896 -0.828 2.851 1.00 0.32 H new ATOM 0 HE2 TYR A 62 23.900 -2.512 -0.575 1.00 0.29 H new ATOM 0 HH TYR A 62 25.578 -3.536 0.497 1.00 0.34 H new ATOM 948 N VAL A 63 21.582 4.773 1.066 1.00 0.27 N ATOM 949 CA VAL A 63 20.803 5.891 0.476 1.00 0.28 C ATOM 950 C VAL A 63 21.778 6.999 0.102 1.00 0.32 C ATOM 951 O VAL A 63 21.647 7.645 -0.917 1.00 0.34 O ATOM 952 CB VAL A 63 19.791 6.404 1.506 1.00 0.28 C ATOM 953 CG1 VAL A 63 19.205 7.744 1.049 1.00 0.32 C ATOM 954 CG2 VAL A 63 18.659 5.382 1.657 1.00 0.25 C ATOM 0 H VAL A 63 21.392 4.580 2.049 1.00 0.27 H new ATOM 0 HA VAL A 63 20.261 5.558 -0.409 1.00 0.28 H new ATOM 0 HB VAL A 63 20.296 6.543 2.462 1.00 0.28 H new ATOM 0 HG11 VAL A 63 18.487 8.099 1.789 1.00 0.32 H new ATOM 0 HG12 VAL A 63 20.007 8.474 0.942 1.00 0.32 H new ATOM 0 HG13 VAL A 63 18.703 7.614 0.090 1.00 0.32 H new ATOM 0 HG21 VAL A 63 17.937 5.744 2.389 1.00 0.25 H new ATOM 0 HG22 VAL A 63 18.163 5.244 0.696 1.00 0.25 H new ATOM 0 HG23 VAL A 63 19.071 4.430 1.993 1.00 0.25 H new ATOM 964 N TYR A 64 22.761 7.214 0.925 1.00 0.34 N ATOM 965 CA TYR A 64 23.756 8.272 0.630 1.00 0.38 C ATOM 966 C TYR A 64 24.500 7.911 -0.654 1.00 0.38 C ATOM 967 O TYR A 64 24.752 8.745 -1.499 1.00 0.41 O ATOM 968 CB TYR A 64 24.752 8.365 1.790 1.00 0.41 C ATOM 969 CG TYR A 64 25.486 9.686 1.731 1.00 0.46 C ATOM 970 CD1 TYR A 64 24.826 10.874 2.099 1.00 0.48 C ATOM 971 CD2 TYR A 64 26.828 9.730 1.307 1.00 0.49 C ATOM 972 CE1 TYR A 64 25.508 12.105 2.044 1.00 0.52 C ATOM 973 CE2 TYR A 64 27.510 10.960 1.251 1.00 0.54 C ATOM 974 CZ TYR A 64 26.850 12.148 1.620 1.00 0.55 C ATOM 975 OH TYR A 64 27.519 13.353 1.565 1.00 0.60 O ATOM 0 H TYR A 64 22.918 6.700 1.792 1.00 0.34 H new ATOM 0 HA TYR A 64 23.254 9.231 0.505 1.00 0.38 H new ATOM 0 HB2 TYR A 64 24.227 8.273 2.741 1.00 0.41 H new ATOM 0 HB3 TYR A 64 25.463 7.541 1.738 1.00 0.41 H new ATOM 0 HD1 TYR A 64 23.796 10.841 2.424 1.00 0.48 H new ATOM 0 HD2 TYR A 64 27.335 8.819 1.024 1.00 0.49 H new ATOM 0 HE1 TYR A 64 25.002 13.016 2.327 1.00 0.52 H new ATOM 0 HE2 TYR A 64 28.539 10.993 0.925 1.00 0.54 H new ATOM 0 HH TYR A 64 28.436 13.204 1.253 1.00 0.60 H new ATOM 985 N ASP A 65 24.852 6.668 -0.793 1.00 0.36 N ATOM 986 CA ASP A 65 25.587 6.225 -2.010 1.00 0.37 C ATOM 987 C ASP A 65 24.715 6.444 -3.250 1.00 0.37 C ATOM 988 O ASP A 65 25.199 6.784 -4.311 1.00 0.40 O ATOM 989 CB ASP A 65 25.924 4.738 -1.876 1.00 0.35 C ATOM 990 CG ASP A 65 27.109 4.561 -0.924 1.00 0.39 C ATOM 991 OD1 ASP A 65 27.185 5.306 0.040 1.00 1.11 O ATOM 992 OD2 ASP A 65 27.920 3.686 -1.174 1.00 1.15 O ATOM 0 H ASP A 65 24.662 5.933 -0.112 1.00 0.36 H new ATOM 0 HA ASP A 65 26.505 6.803 -2.114 1.00 0.37 H new ATOM 0 HB2 ASP A 65 25.059 4.192 -1.500 1.00 0.35 H new ATOM 0 HB3 ASP A 65 26.165 4.320 -2.854 1.00 0.35 H new ATOM 997 N LEU A 66 23.433 6.253 -3.121 1.00 0.33 N ATOM 998 CA LEU A 66 22.524 6.448 -4.286 1.00 0.34 C ATOM 999 C LEU A 66 22.418 7.943 -4.602 1.00 0.39 C ATOM 1000 O LEU A 66 22.209 8.337 -5.733 1.00 0.42 O ATOM 1001 CB LEU A 66 21.139 5.891 -3.933 1.00 0.31 C ATOM 1002 CG LEU A 66 21.116 4.357 -4.114 1.00 0.28 C ATOM 1003 CD1 LEU A 66 19.978 3.758 -3.284 1.00 0.24 C ATOM 1004 CD2 LEU A 66 20.885 3.995 -5.591 1.00 0.30 C ATOM 0 H LEU A 66 22.973 5.969 -2.256 1.00 0.33 H new ATOM 0 HA LEU A 66 22.916 5.926 -5.159 1.00 0.34 H new ATOM 0 HB2 LEU A 66 20.888 6.146 -2.903 1.00 0.31 H new ATOM 0 HB3 LEU A 66 20.382 6.350 -4.569 1.00 0.31 H new ATOM 0 HG LEU A 66 22.075 3.957 -3.786 1.00 0.28 H new ATOM 0 HD11 LEU A 66 19.964 2.676 -3.413 1.00 0.24 H new ATOM 0 HD12 LEU A 66 20.131 3.996 -2.231 1.00 0.24 H new ATOM 0 HD13 LEU A 66 19.027 4.175 -3.615 1.00 0.24 H new ATOM 0 HD21 LEU A 66 20.871 2.911 -5.702 1.00 0.30 H new ATOM 0 HD22 LEU A 66 19.931 4.406 -5.921 1.00 0.30 H new ATOM 0 HD23 LEU A 66 21.689 4.412 -6.198 1.00 0.30 H new ATOM 1016 N GLU A 67 22.565 8.775 -3.612 1.00 0.40 N ATOM 1017 CA GLU A 67 22.477 10.244 -3.849 1.00 0.45 C ATOM 1018 C GLU A 67 23.733 10.710 -4.585 1.00 0.50 C ATOM 1019 O GLU A 67 23.707 11.661 -5.342 1.00 0.55 O ATOM 1020 CB GLU A 67 22.383 10.968 -2.506 1.00 0.46 C ATOM 1021 CG GLU A 67 21.052 10.626 -1.828 1.00 0.44 C ATOM 1022 CD GLU A 67 19.926 11.459 -2.446 1.00 1.13 C ATOM 1023 OE1 GLU A 67 19.894 12.652 -2.198 1.00 1.88 O ATOM 1024 OE2 GLU A 67 19.114 10.888 -3.155 1.00 1.81 O ATOM 0 H GLU A 67 22.743 8.502 -2.645 1.00 0.40 H new ATOM 0 HA GLU A 67 21.594 10.467 -4.448 1.00 0.45 H new ATOM 0 HB2 GLU A 67 23.215 10.675 -1.865 1.00 0.46 H new ATOM 0 HB3 GLU A 67 22.460 12.045 -2.656 1.00 0.46 H new ATOM 0 HG2 GLU A 67 20.837 9.564 -1.944 1.00 0.44 H new ATOM 0 HG3 GLU A 67 21.117 10.823 -0.758 1.00 0.44 H new ATOM 1116 N SER B 5 11.085 -9.712 -3.403 1.00 0.44 N ATOM 1117 CA SER B 5 11.574 -10.100 -2.046 1.00 0.30 C ATOM 1118 C SER B 5 10.546 -9.676 -0.981 1.00 0.27 C ATOM 1119 O SER B 5 9.967 -10.501 -0.305 1.00 0.30 O ATOM 1120 CB SER B 5 12.938 -9.437 -1.787 1.00 0.49 C ATOM 1121 OG SER B 5 13.877 -10.439 -1.414 1.00 1.52 O ATOM 0 HA SER B 5 11.695 -11.182 -1.992 1.00 0.30 H new ATOM 0 HB2 SER B 5 13.279 -8.916 -2.681 1.00 0.49 H new ATOM 0 HB3 SER B 5 12.850 -8.691 -0.997 1.00 0.49 H new ATOM 0 HG SER B 5 14.750 -10.024 -1.249 1.00 1.52 H new ATOM 1127 N ASP B 6 10.316 -8.397 -0.829 1.00 0.24 N ATOM 1128 CA ASP B 6 9.326 -7.931 0.191 1.00 0.23 C ATOM 1129 C ASP B 6 8.814 -6.530 -0.185 1.00 0.21 C ATOM 1130 O ASP B 6 9.119 -5.568 0.491 1.00 0.20 O ATOM 1131 CB ASP B 6 9.997 -7.868 1.574 1.00 0.25 C ATOM 1132 CG ASP B 6 8.923 -7.844 2.666 1.00 1.26 C ATOM 1133 OD1 ASP B 6 8.402 -6.774 2.932 1.00 2.03 O ATOM 1134 OD2 ASP B 6 8.641 -8.895 3.216 1.00 2.00 O ATOM 0 H ASP B 6 10.769 -7.656 -1.365 1.00 0.24 H new ATOM 0 HA ASP B 6 8.490 -8.630 0.221 1.00 0.23 H new ATOM 0 HB2 ASP B 6 10.651 -8.729 1.712 1.00 0.25 H new ATOM 0 HB3 ASP B 6 10.623 -6.978 1.646 1.00 0.25 H new ATOM 1139 N PRO B 7 8.053 -6.445 -1.257 1.00 0.22 N ATOM 1140 CA PRO B 7 7.513 -5.149 -1.713 1.00 0.22 C ATOM 1141 C PRO B 7 6.543 -4.580 -0.652 1.00 0.20 C ATOM 1142 O PRO B 7 6.173 -5.280 0.269 1.00 0.20 O ATOM 1143 CB PRO B 7 6.781 -5.471 -3.040 1.00 0.25 C ATOM 1144 CG PRO B 7 6.893 -7.006 -3.278 1.00 0.27 C ATOM 1145 CD PRO B 7 7.677 -7.607 -2.089 1.00 0.26 C ATOM 0 HA PRO B 7 8.285 -4.394 -1.859 1.00 0.22 H new ATOM 0 HB2 PRO B 7 5.736 -5.167 -2.984 1.00 0.25 H new ATOM 0 HB3 PRO B 7 7.229 -4.921 -3.868 1.00 0.25 H new ATOM 0 HG2 PRO B 7 5.903 -7.456 -3.350 1.00 0.27 H new ATOM 0 HG3 PRO B 7 7.406 -7.211 -4.218 1.00 0.27 H new ATOM 0 HD2 PRO B 7 7.065 -8.313 -1.528 1.00 0.26 H new ATOM 0 HD3 PRO B 7 8.558 -8.150 -2.431 1.00 0.26 H new ATOM 1153 N PRO B 8 6.156 -3.327 -0.809 1.00 0.21 N ATOM 1154 CA PRO B 8 5.229 -2.676 0.141 1.00 0.22 C ATOM 1155 C PRO B 8 3.868 -3.392 0.124 1.00 0.22 C ATOM 1156 O PRO B 8 3.758 -4.531 -0.284 1.00 0.22 O ATOM 1157 CB PRO B 8 5.101 -1.219 -0.366 1.00 0.24 C ATOM 1158 CG PRO B 8 5.850 -1.134 -1.727 1.00 0.26 C ATOM 1159 CD PRO B 8 6.604 -2.467 -1.927 1.00 0.24 C ATOM 0 HA PRO B 8 5.586 -2.713 1.170 1.00 0.22 H new ATOM 0 HB2 PRO B 8 4.053 -0.945 -0.487 1.00 0.24 H new ATOM 0 HB3 PRO B 8 5.532 -0.523 0.354 1.00 0.24 H new ATOM 0 HG2 PRO B 8 5.146 -0.966 -2.542 1.00 0.26 H new ATOM 0 HG3 PRO B 8 6.547 -0.296 -1.729 1.00 0.26 H new ATOM 0 HD2 PRO B 8 6.365 -2.916 -2.891 1.00 0.24 H new ATOM 0 HD3 PRO B 8 7.684 -2.318 -1.903 1.00 0.24 H new ATOM 1167 N THR B 9 2.832 -2.724 0.564 1.00 0.23 N ATOM 1168 CA THR B 9 1.482 -3.356 0.575 1.00 0.24 C ATOM 1169 C THR B 9 0.407 -2.271 0.581 1.00 0.24 C ATOM 1170 O THR B 9 0.416 -1.375 1.402 1.00 0.25 O ATOM 1171 CB THR B 9 1.336 -4.224 1.825 1.00 0.25 C ATOM 1172 OG1 THR B 9 2.509 -5.005 1.996 1.00 0.26 O ATOM 1173 CG2 THR B 9 0.122 -5.143 1.673 1.00 0.29 C ATOM 0 H THR B 9 2.865 -1.767 0.916 1.00 0.23 H new ATOM 0 HA THR B 9 1.366 -3.975 -0.315 1.00 0.24 H new ATOM 0 HB THR B 9 1.195 -3.586 2.697 1.00 0.25 H new ATOM 0 HG1 THR B 9 2.482 -5.448 2.870 1.00 0.26 H new ATOM 0 HG21 THR B 9 0.020 -5.761 2.565 1.00 0.29 H new ATOM 0 HG22 THR B 9 -0.777 -4.540 1.544 1.00 0.29 H new ATOM 0 HG23 THR B 9 0.257 -5.783 0.801 1.00 0.29 H new ATOM 1181 N ALA B 10 -0.519 -2.349 -0.331 1.00 0.23 N ATOM 1182 CA ALA B 10 -1.602 -1.330 -0.388 1.00 0.23 C ATOM 1183 C ALA B 10 -2.525 -1.488 0.821 1.00 0.22 C ATOM 1184 O ALA B 10 -3.576 -2.092 0.733 1.00 0.27 O ATOM 1185 CB ALA B 10 -2.409 -1.530 -1.669 1.00 0.23 C ATOM 0 H ALA B 10 -0.573 -3.078 -1.043 1.00 0.23 H new ATOM 0 HA ALA B 10 -1.163 -0.332 -0.377 1.00 0.23 H new ATOM 0 HB1 ALA B 10 -3.205 -0.787 -1.718 1.00 0.23 H new ATOM 0 HB2 ALA B 10 -1.754 -1.417 -2.533 1.00 0.23 H new ATOM 0 HB3 ALA B 10 -2.845 -2.529 -1.672 1.00 0.23 H new ATOM 1191 N CYS B 11 -2.143 -0.942 1.948 1.00 0.25 N ATOM 1192 CA CYS B 11 -2.994 -1.042 3.176 1.00 0.25 C ATOM 1193 C CYS B 11 -3.595 0.333 3.473 1.00 0.25 C ATOM 1194 O CYS B 11 -2.943 1.348 3.331 1.00 0.26 O ATOM 1195 CB CYS B 11 -2.131 -1.489 4.358 1.00 0.25 C ATOM 1196 SG CYS B 11 -1.263 -3.020 3.928 1.00 0.34 S ATOM 0 H CYS B 11 -1.271 -0.427 2.072 1.00 0.25 H new ATOM 0 HA CYS B 11 -3.791 -1.768 3.018 1.00 0.25 H new ATOM 0 HB2 CYS B 11 -1.412 -0.710 4.612 1.00 0.25 H new ATOM 0 HB3 CYS B 11 -2.755 -1.647 5.238 1.00 0.25 H new ATOM 1201 N CYS B 12 -4.837 0.378 3.873 1.00 0.24 N ATOM 1202 CA CYS B 12 -5.474 1.691 4.169 1.00 0.24 C ATOM 1203 C CYS B 12 -4.937 2.234 5.494 1.00 0.24 C ATOM 1204 O CYS B 12 -4.668 1.490 6.417 1.00 0.27 O ATOM 1205 CB CYS B 12 -6.991 1.516 4.267 1.00 0.24 C ATOM 1206 SG CYS B 12 -7.658 1.089 2.639 1.00 0.24 S ATOM 0 H CYS B 12 -5.436 -0.436 4.007 1.00 0.24 H new ATOM 0 HA CYS B 12 -5.241 2.393 3.368 1.00 0.24 H new ATOM 0 HB2 CYS B 12 -7.231 0.733 4.987 1.00 0.24 H new ATOM 0 HB3 CYS B 12 -7.451 2.435 4.630 1.00 0.24 H new ATOM 1211 N PHE B 13 -4.786 3.530 5.596 1.00 0.25 N ATOM 1212 CA PHE B 13 -4.273 4.143 6.860 1.00 0.27 C ATOM 1213 C PHE B 13 -5.445 4.770 7.616 1.00 0.24 C ATOM 1214 O PHE B 13 -5.376 5.019 8.802 1.00 0.26 O ATOM 1215 CB PHE B 13 -3.255 5.233 6.517 1.00 0.30 C ATOM 1216 CG PHE B 13 -3.942 6.332 5.744 1.00 0.31 C ATOM 1217 CD1 PHE B 13 -4.230 6.155 4.377 1.00 0.31 C ATOM 1218 CD2 PHE B 13 -4.300 7.532 6.389 1.00 0.35 C ATOM 1219 CE1 PHE B 13 -4.874 7.178 3.655 1.00 0.34 C ATOM 1220 CE2 PHE B 13 -4.945 8.554 5.668 1.00 0.37 C ATOM 1221 CZ PHE B 13 -5.232 8.377 4.301 1.00 0.37 C ATOM 0 H PHE B 13 -4.998 4.195 4.852 1.00 0.25 H new ATOM 0 HA PHE B 13 -3.797 3.380 7.476 1.00 0.27 H new ATOM 0 HB2 PHE B 13 -2.814 5.635 7.429 1.00 0.30 H new ATOM 0 HB3 PHE B 13 -2.440 4.813 5.928 1.00 0.30 H new ATOM 0 HD1 PHE B 13 -3.957 5.235 3.882 1.00 0.31 H new ATOM 0 HD2 PHE B 13 -4.079 7.668 7.437 1.00 0.35 H new ATOM 0 HE1 PHE B 13 -5.093 7.043 2.606 1.00 0.34 H new ATOM 0 HE2 PHE B 13 -5.220 9.474 6.163 1.00 0.37 H new ATOM 0 HZ PHE B 13 -5.727 9.161 3.748 1.00 0.37 H new ATOM 1231 N SER B 14 -6.524 5.024 6.927 1.00 0.21 N ATOM 1232 CA SER B 14 -7.714 5.633 7.584 1.00 0.20 C ATOM 1233 C SER B 14 -8.958 5.287 6.765 1.00 0.18 C ATOM 1234 O SER B 14 -8.994 4.291 6.070 1.00 0.17 O ATOM 1235 CB SER B 14 -7.545 7.151 7.643 1.00 0.20 C ATOM 1236 OG SER B 14 -7.625 7.684 6.328 1.00 0.25 O ATOM 0 H SER B 14 -6.632 4.834 5.931 1.00 0.21 H new ATOM 0 HA SER B 14 -7.818 5.246 8.598 1.00 0.20 H new ATOM 0 HB2 SER B 14 -8.318 7.590 8.273 1.00 0.20 H new ATOM 0 HB3 SER B 14 -6.585 7.404 8.093 1.00 0.20 H new ATOM 0 HG SER B 14 -6.751 8.042 6.066 1.00 0.25 H new ATOM 1242 N TYR B 15 -9.981 6.096 6.837 1.00 0.19 N ATOM 1243 CA TYR B 15 -11.220 5.800 6.057 1.00 0.20 C ATOM 1244 C TYR B 15 -11.970 7.101 5.772 1.00 0.24 C ATOM 1245 O TYR B 15 -11.765 8.105 6.423 1.00 0.29 O ATOM 1246 CB TYR B 15 -12.122 4.856 6.864 1.00 0.22 C ATOM 1247 CG TYR B 15 -11.279 3.811 7.554 1.00 0.21 C ATOM 1248 CD1 TYR B 15 -10.882 2.653 6.859 1.00 0.21 C ATOM 1249 CD2 TYR B 15 -10.891 3.994 8.895 1.00 0.25 C ATOM 1250 CE1 TYR B 15 -10.096 1.680 7.504 1.00 0.23 C ATOM 1251 CE2 TYR B 15 -10.104 3.021 9.540 1.00 0.28 C ATOM 1252 CZ TYR B 15 -9.706 1.863 8.844 1.00 0.27 C ATOM 1253 OH TYR B 15 -8.936 0.909 9.476 1.00 0.32 O ATOM 0 H TYR B 15 -10.014 6.946 7.400 1.00 0.19 H new ATOM 0 HA TYR B 15 -10.948 5.325 5.115 1.00 0.20 H new ATOM 0 HB2 TYR B 15 -12.691 5.423 7.601 1.00 0.22 H new ATOM 0 HB3 TYR B 15 -12.845 4.376 6.204 1.00 0.22 H new ATOM 0 HD1 TYR B 15 -11.181 2.511 5.831 1.00 0.21 H new ATOM 0 HD2 TYR B 15 -11.197 4.881 9.429 1.00 0.25 H new ATOM 0 HE1 TYR B 15 -9.792 0.792 6.970 1.00 0.23 H new ATOM 0 HE2 TYR B 15 -9.806 3.163 10.568 1.00 0.28 H new ATOM 0 HH TYR B 15 -8.755 1.192 10.397 1.00 0.32 H new ATOM 1263 N THR B 16 -12.843 7.084 4.805 1.00 0.22 N ATOM 1264 CA THR B 16 -13.612 8.317 4.480 1.00 0.28 C ATOM 1265 C THR B 16 -14.398 8.757 5.718 1.00 0.32 C ATOM 1266 O THR B 16 -14.162 8.282 6.812 1.00 0.38 O ATOM 1267 CB THR B 16 -14.570 8.031 3.316 1.00 0.28 C ATOM 1268 OG1 THR B 16 -15.476 9.113 3.163 1.00 0.39 O ATOM 1269 CG2 THR B 16 -15.350 6.745 3.591 1.00 0.27 C ATOM 0 H THR B 16 -13.057 6.272 4.227 1.00 0.22 H new ATOM 0 HA THR B 16 -12.930 9.115 4.186 1.00 0.28 H new ATOM 0 HB THR B 16 -13.992 7.912 2.400 1.00 0.28 H new ATOM 0 HG1 THR B 16 -14.983 9.918 2.900 1.00 0.39 H new ATOM 0 HG21 THR B 16 -16.029 6.547 2.761 1.00 0.27 H new ATOM 0 HG22 THR B 16 -14.654 5.913 3.697 1.00 0.27 H new ATOM 0 HG23 THR B 16 -15.924 6.857 4.511 1.00 0.27 H new ATOM 1277 N ALA B 17 -15.329 9.660 5.557 1.00 0.36 N ATOM 1278 CA ALA B 17 -16.136 10.135 6.721 1.00 0.42 C ATOM 1279 C ALA B 17 -17.584 10.312 6.273 1.00 0.45 C ATOM 1280 O ALA B 17 -18.374 10.974 6.919 1.00 0.63 O ATOM 1281 CB ALA B 17 -15.583 11.476 7.208 1.00 0.50 C ATOM 0 H ALA B 17 -15.567 10.092 4.664 1.00 0.36 H new ATOM 0 HA ALA B 17 -16.085 9.409 7.533 1.00 0.42 H new ATOM 0 HB1 ALA B 17 -16.170 11.825 8.057 1.00 0.50 H new ATOM 0 HB2 ALA B 17 -14.544 11.352 7.512 1.00 0.50 H new ATOM 0 HB3 ALA B 17 -15.641 12.208 6.402 1.00 0.50 H new ATOM 1287 N ARG B 18 -17.938 9.715 5.165 1.00 0.47 N ATOM 1288 CA ARG B 18 -19.333 9.826 4.650 1.00 0.48 C ATOM 1289 C ARG B 18 -19.737 8.491 4.020 1.00 0.41 C ATOM 1290 O ARG B 18 -19.045 7.961 3.174 1.00 0.37 O ATOM 1291 CB ARG B 18 -19.400 10.930 3.591 1.00 0.53 C ATOM 1292 CG ARG B 18 -19.371 12.308 4.274 1.00 0.70 C ATOM 1293 CD ARG B 18 -20.665 12.546 5.088 1.00 1.15 C ATOM 1294 NE ARG B 18 -21.199 13.921 4.817 1.00 1.96 N ATOM 1295 CZ ARG B 18 -20.417 14.970 4.834 1.00 2.64 C ATOM 1296 NH1 ARG B 18 -19.166 14.858 5.183 1.00 2.84 N ATOM 1297 NH2 ARG B 18 -20.901 16.143 4.529 1.00 3.63 N ATOM 0 H ARG B 18 -17.313 9.150 4.590 1.00 0.47 H new ATOM 0 HA ARG B 18 -20.011 10.070 5.468 1.00 0.48 H new ATOM 0 HB2 ARG B 18 -18.560 10.837 2.902 1.00 0.53 H new ATOM 0 HB3 ARG B 18 -20.310 10.826 3.000 1.00 0.53 H new ATOM 0 HG2 ARG B 18 -18.505 12.374 4.932 1.00 0.70 H new ATOM 0 HG3 ARG B 18 -19.260 13.089 3.522 1.00 0.70 H new ATOM 0 HD2 ARG B 18 -21.413 11.798 4.824 1.00 1.15 H new ATOM 0 HD3 ARG B 18 -20.461 12.430 6.152 1.00 1.15 H new ATOM 0 HE ARG B 18 -22.192 14.041 4.615 1.00 1.96 H new ATOM 0 HH11 ARG B 18 -18.789 13.947 5.446 1.00 2.84 H new ATOM 0 HH12 ARG B 18 -18.564 15.681 5.193 1.00 2.84 H new ATOM 0 HH21 ARG B 18 -21.885 16.239 4.279 1.00 3.63 H new ATOM 0 HH22 ARG B 18 -20.295 16.963 4.541 1.00 3.63 H new ATOM 1311 N LYS B 19 -20.848 7.945 4.426 1.00 0.40 N ATOM 1312 CA LYS B 19 -21.290 6.645 3.848 1.00 0.35 C ATOM 1313 C LYS B 19 -21.562 6.832 2.353 1.00 0.31 C ATOM 1314 O LYS B 19 -22.354 7.663 1.956 1.00 0.33 O ATOM 1315 CB LYS B 19 -22.568 6.189 4.572 1.00 0.38 C ATOM 1316 CG LYS B 19 -22.957 4.745 4.166 1.00 0.40 C ATOM 1317 CD LYS B 19 -24.131 4.742 3.176 1.00 0.62 C ATOM 1318 CE LYS B 19 -25.452 4.924 3.932 1.00 0.97 C ATOM 1319 NZ LYS B 19 -26.507 5.385 2.986 1.00 1.79 N ATOM 0 H LYS B 19 -21.469 8.341 5.132 1.00 0.40 H new ATOM 0 HA LYS B 19 -20.517 5.887 3.976 1.00 0.35 H new ATOM 0 HB2 LYS B 19 -22.415 6.238 5.650 1.00 0.38 H new ATOM 0 HB3 LYS B 19 -23.386 6.869 4.335 1.00 0.38 H new ATOM 0 HG2 LYS B 19 -22.098 4.247 3.716 1.00 0.40 H new ATOM 0 HG3 LYS B 19 -23.226 4.175 5.055 1.00 0.40 H new ATOM 0 HD2 LYS B 19 -24.006 5.543 2.447 1.00 0.62 H new ATOM 0 HD3 LYS B 19 -24.146 3.805 2.620 1.00 0.62 H new ATOM 0 HE2 LYS B 19 -25.750 3.984 4.396 1.00 0.97 H new ATOM 0 HE3 LYS B 19 -25.326 5.650 4.735 1.00 0.97 H new ATOM 0 HZ1 LYS B 19 -27.427 5.395 3.470 1.00 1.79 H new ATOM 0 HZ2 LYS B 19 -26.280 6.344 2.654 1.00 1.79 H new ATOM 0 HZ3 LYS B 19 -26.551 4.738 2.173 1.00 1.79 H new ATOM 1333 N LEU B 20 -20.895 6.078 1.518 1.00 0.27 N ATOM 1334 CA LEU B 20 -21.096 6.226 0.047 1.00 0.27 C ATOM 1335 C LEU B 20 -22.484 5.675 -0.354 1.00 0.27 C ATOM 1336 O LEU B 20 -22.716 4.493 -0.191 1.00 0.27 O ATOM 1337 CB LEU B 20 -20.032 5.411 -0.696 1.00 0.24 C ATOM 1338 CG LEU B 20 -18.647 5.660 -0.095 1.00 0.23 C ATOM 1339 CD1 LEU B 20 -17.597 4.989 -0.980 1.00 0.22 C ATOM 1340 CD2 LEU B 20 -18.366 7.164 -0.029 1.00 0.27 C ATOM 0 H LEU B 20 -20.219 5.365 1.793 1.00 0.27 H new ATOM 0 HA LEU B 20 -21.023 7.282 -0.212 1.00 0.27 H new ATOM 0 HB2 LEU B 20 -20.274 4.350 -0.639 1.00 0.24 H new ATOM 0 HB3 LEU B 20 -20.030 5.682 -1.752 1.00 0.24 H new ATOM 0 HG LEU B 20 -18.609 5.247 0.913 1.00 0.23 H new ATOM 0 HD11 LEU B 20 -16.605 5.160 -0.561 1.00 0.22 H new ATOM 0 HD12 LEU B 20 -17.791 3.918 -1.027 1.00 0.22 H new ATOM 0 HD13 LEU B 20 -17.644 5.410 -1.984 1.00 0.22 H new ATOM 0 HD21 LEU B 20 -17.378 7.331 0.400 1.00 0.27 H new ATOM 0 HD22 LEU B 20 -18.401 7.585 -1.034 1.00 0.27 H new ATOM 0 HD23 LEU B 20 -19.119 7.648 0.594 1.00 0.27 H new ATOM 1352 N PRO B 21 -23.374 6.500 -0.889 1.00 0.31 N ATOM 1353 CA PRO B 21 -24.697 6.000 -1.310 1.00 0.34 C ATOM 1354 C PRO B 21 -24.513 4.873 -2.329 1.00 0.30 C ATOM 1355 O PRO B 21 -23.588 4.886 -3.113 1.00 0.29 O ATOM 1356 CB PRO B 21 -25.399 7.216 -1.956 1.00 0.39 C ATOM 1357 CG PRO B 21 -24.505 8.460 -1.690 1.00 0.42 C ATOM 1358 CD PRO B 21 -23.168 7.952 -1.113 1.00 0.35 C ATOM 0 HA PRO B 21 -25.280 5.597 -0.482 1.00 0.34 H new ATOM 0 HB2 PRO B 21 -25.531 7.060 -3.027 1.00 0.39 H new ATOM 0 HB3 PRO B 21 -26.392 7.358 -1.530 1.00 0.39 H new ATOM 0 HG2 PRO B 21 -24.338 9.017 -2.612 1.00 0.42 H new ATOM 0 HG3 PRO B 21 -24.991 9.140 -0.990 1.00 0.42 H new ATOM 0 HD2 PRO B 21 -22.346 8.132 -1.805 1.00 0.35 H new ATOM 0 HD3 PRO B 21 -22.920 8.464 -0.183 1.00 0.35 H new ATOM 1366 N ARG B 22 -25.391 3.910 -2.342 1.00 0.31 N ATOM 1367 CA ARG B 22 -25.256 2.811 -3.335 1.00 0.30 C ATOM 1368 C ARG B 22 -25.088 3.430 -4.725 1.00 0.31 C ATOM 1369 O ARG B 22 -24.420 2.889 -5.584 1.00 0.31 O ATOM 1370 CB ARG B 22 -26.515 1.933 -3.307 1.00 0.33 C ATOM 1371 CG ARG B 22 -26.311 0.678 -4.179 1.00 0.69 C ATOM 1372 CD ARG B 22 -25.624 -0.429 -3.368 1.00 1.24 C ATOM 1373 NE ARG B 22 -25.441 -1.631 -4.228 1.00 1.34 N ATOM 1374 CZ ARG B 22 -24.622 -2.577 -3.858 1.00 2.07 C ATOM 1375 NH1 ARG B 22 -23.970 -2.472 -2.734 1.00 2.89 N ATOM 1376 NH2 ARG B 22 -24.458 -3.629 -4.614 1.00 2.44 N ATOM 0 H ARG B 22 -26.190 3.837 -1.713 1.00 0.31 H new ATOM 0 HA ARG B 22 -24.390 2.194 -3.095 1.00 0.30 H new ATOM 0 HB2 ARG B 22 -26.739 1.639 -2.282 1.00 0.33 H new ATOM 0 HB3 ARG B 22 -27.371 2.501 -3.670 1.00 0.33 H new ATOM 0 HG2 ARG B 22 -27.273 0.323 -4.549 1.00 0.69 H new ATOM 0 HG3 ARG B 22 -25.707 0.927 -5.051 1.00 0.69 H new ATOM 0 HD2 ARG B 22 -24.659 -0.080 -3.001 1.00 1.24 H new ATOM 0 HD3 ARG B 22 -26.225 -0.681 -2.494 1.00 1.24 H new ATOM 0 HE ARG B 22 -25.955 -1.715 -5.105 1.00 1.34 H new ATOM 0 HH11 ARG B 22 -24.100 -1.650 -2.144 1.00 2.89 H new ATOM 0 HH12 ARG B 22 -23.330 -3.212 -2.445 1.00 2.89 H new ATOM 0 HH21 ARG B 22 -24.970 -3.710 -5.493 1.00 2.44 H new ATOM 0 HH22 ARG B 22 -23.818 -4.369 -4.326 1.00 2.44 H new ATOM 1390 N ASN B 23 -25.688 4.570 -4.946 1.00 0.34 N ATOM 1391 CA ASN B 23 -25.566 5.239 -6.273 1.00 0.37 C ATOM 1392 C ASN B 23 -24.149 5.795 -6.437 1.00 0.37 C ATOM 1393 O ASN B 23 -23.881 6.585 -7.321 1.00 0.40 O ATOM 1394 CB ASN B 23 -26.576 6.386 -6.360 1.00 0.42 C ATOM 1395 CG ASN B 23 -27.978 5.857 -6.050 1.00 1.47 C ATOM 1396 OD1 ASN B 23 -28.820 5.789 -6.922 1.00 2.16 O ATOM 1397 ND2 ASN B 23 -28.264 5.480 -4.834 1.00 2.38 N ATOM 0 H ASN B 23 -26.259 5.067 -4.262 1.00 0.34 H new ATOM 0 HA ASN B 23 -25.766 4.516 -7.064 1.00 0.37 H new ATOM 0 HB2 ASN B 23 -26.309 7.174 -5.655 1.00 0.42 H new ATOM 0 HB3 ASN B 23 -26.555 6.828 -7.356 1.00 0.42 H new ATOM 0 HD21 ASN B 23 -29.196 5.128 -4.615 1.00 2.38 H new ATOM 0 HD22 ASN B 23 -27.556 5.538 -4.102 1.00 2.38 H new ATOM 1404 N PHE B 24 -23.242 5.396 -5.583 1.00 0.33 N ATOM 1405 CA PHE B 24 -21.835 5.904 -5.672 1.00 0.33 C ATOM 1406 C PHE B 24 -20.869 4.745 -5.410 1.00 0.30 C ATOM 1407 O PHE B 24 -19.760 4.937 -4.953 1.00 0.28 O ATOM 1408 CB PHE B 24 -21.637 6.996 -4.607 1.00 0.33 C ATOM 1409 CG PHE B 24 -20.468 7.889 -4.965 1.00 0.35 C ATOM 1410 CD1 PHE B 24 -20.497 8.646 -6.154 1.00 0.39 C ATOM 1411 CD2 PHE B 24 -19.355 7.979 -4.103 1.00 0.35 C ATOM 1412 CE1 PHE B 24 -19.418 9.487 -6.480 1.00 0.41 C ATOM 1413 CE2 PHE B 24 -18.276 8.822 -4.432 1.00 0.37 C ATOM 1414 CZ PHE B 24 -18.307 9.576 -5.619 1.00 0.41 C ATOM 0 H PHE B 24 -23.414 4.737 -4.823 1.00 0.33 H new ATOM 0 HA PHE B 24 -21.643 6.318 -6.662 1.00 0.33 H new ATOM 0 HB2 PHE B 24 -22.544 7.594 -4.520 1.00 0.33 H new ATOM 0 HB3 PHE B 24 -21.464 6.535 -3.635 1.00 0.33 H new ATOM 0 HD1 PHE B 24 -21.349 8.580 -6.815 1.00 0.39 H new ATOM 0 HD2 PHE B 24 -19.330 7.401 -3.191 1.00 0.35 H new ATOM 0 HE1 PHE B 24 -19.441 10.065 -7.392 1.00 0.41 H new ATOM 0 HE2 PHE B 24 -17.424 8.890 -3.772 1.00 0.37 H new ATOM 0 HZ PHE B 24 -17.479 10.223 -5.870 1.00 0.41 H new ATOM 1424 N VAL B 25 -21.289 3.540 -5.698 1.00 0.30 N ATOM 1425 CA VAL B 25 -20.410 2.355 -5.468 1.00 0.28 C ATOM 1426 C VAL B 25 -20.741 1.281 -6.507 1.00 0.30 C ATOM 1427 O VAL B 25 -21.595 0.443 -6.298 1.00 0.31 O ATOM 1428 CB VAL B 25 -20.665 1.799 -4.063 1.00 0.24 C ATOM 1429 CG1 VAL B 25 -19.699 0.648 -3.780 1.00 0.22 C ATOM 1430 CG2 VAL B 25 -20.444 2.902 -3.024 1.00 0.23 C ATOM 0 H VAL B 25 -22.208 3.325 -6.085 1.00 0.30 H new ATOM 0 HA VAL B 25 -19.364 2.647 -5.558 1.00 0.28 H new ATOM 0 HB VAL B 25 -21.692 1.439 -4.005 1.00 0.24 H new ATOM 0 HG11 VAL B 25 -19.884 0.256 -2.780 1.00 0.22 H new ATOM 0 HG12 VAL B 25 -19.851 -0.143 -4.514 1.00 0.22 H new ATOM 0 HG13 VAL B 25 -18.673 1.010 -3.844 1.00 0.22 H new ATOM 0 HG21 VAL B 25 -20.626 2.503 -2.026 1.00 0.23 H new ATOM 0 HG22 VAL B 25 -19.417 3.263 -3.089 1.00 0.23 H new ATOM 0 HG23 VAL B 25 -21.131 3.726 -3.217 1.00 0.23 H new ATOM 1440 N VAL B 26 -20.073 1.304 -7.629 1.00 0.33 N ATOM 1441 CA VAL B 26 -20.347 0.293 -8.686 1.00 0.36 C ATOM 1442 C VAL B 26 -19.538 -0.974 -8.415 1.00 0.35 C ATOM 1443 O VAL B 26 -19.761 -2.003 -9.021 1.00 0.37 O ATOM 1444 CB VAL B 26 -19.949 0.869 -10.044 1.00 0.41 C ATOM 1445 CG1 VAL B 26 -20.799 2.104 -10.342 1.00 0.78 C ATOM 1446 CG2 VAL B 26 -18.470 1.263 -10.020 1.00 0.61 C ATOM 0 H VAL B 26 -19.347 1.983 -7.858 1.00 0.33 H new ATOM 0 HA VAL B 26 -21.409 0.046 -8.685 1.00 0.36 H new ATOM 0 HB VAL B 26 -20.112 0.119 -10.818 1.00 0.41 H new ATOM 0 HG11 VAL B 26 -20.516 2.516 -11.311 1.00 0.78 H new ATOM 0 HG12 VAL B 26 -21.852 1.825 -10.360 1.00 0.78 H new ATOM 0 HG13 VAL B 26 -20.636 2.854 -9.568 1.00 0.78 H new ATOM 0 HG21 VAL B 26 -18.187 1.674 -10.989 1.00 0.61 H new ATOM 0 HG22 VAL B 26 -18.306 2.013 -9.246 1.00 0.61 H new ATOM 0 HG23 VAL B 26 -17.863 0.383 -9.808 1.00 0.61 H new ATOM 1456 N ASP B 27 -18.600 -0.915 -7.511 1.00 0.32 N ATOM 1457 CA ASP B 27 -17.788 -2.127 -7.219 1.00 0.31 C ATOM 1458 C ASP B 27 -16.940 -1.882 -5.976 1.00 0.27 C ATOM 1459 O ASP B 27 -17.084 -0.880 -5.304 1.00 0.25 O ATOM 1460 CB ASP B 27 -16.869 -2.424 -8.408 1.00 0.34 C ATOM 1461 CG ASP B 27 -16.265 -3.823 -8.257 1.00 0.35 C ATOM 1462 OD1 ASP B 27 -16.824 -4.610 -7.512 1.00 1.09 O ATOM 1463 OD2 ASP B 27 -15.255 -4.080 -8.889 1.00 1.13 O ATOM 0 H ASP B 27 -18.362 -0.086 -6.966 1.00 0.32 H new ATOM 0 HA ASP B 27 -18.451 -2.975 -7.048 1.00 0.31 H new ATOM 0 HB2 ASP B 27 -17.431 -2.359 -9.340 1.00 0.34 H new ATOM 0 HB3 ASP B 27 -16.075 -1.679 -8.462 1.00 0.34 H new ATOM 1468 N TYR B 28 -16.051 -2.784 -5.661 1.00 0.26 N ATOM 1469 CA TYR B 28 -15.198 -2.588 -4.459 1.00 0.23 C ATOM 1470 C TYR B 28 -13.910 -3.396 -4.585 1.00 0.25 C ATOM 1471 O TYR B 28 -13.646 -4.027 -5.588 1.00 0.29 O ATOM 1472 CB TYR B 28 -15.958 -3.007 -3.196 1.00 0.19 C ATOM 1473 CG TYR B 28 -16.075 -4.516 -3.116 1.00 0.21 C ATOM 1474 CD1 TYR B 28 -16.810 -5.222 -4.088 1.00 0.25 C ATOM 1475 CD2 TYR B 28 -15.459 -5.214 -2.057 1.00 0.19 C ATOM 1476 CE1 TYR B 28 -16.926 -6.623 -4.004 1.00 0.27 C ATOM 1477 CE2 TYR B 28 -15.576 -6.611 -1.971 1.00 0.22 C ATOM 1478 CZ TYR B 28 -16.309 -7.318 -2.945 1.00 0.25 C ATOM 1479 OH TYR B 28 -16.425 -8.691 -2.860 1.00 0.28 O ATOM 0 H TYR B 28 -15.880 -3.644 -6.182 1.00 0.26 H new ATOM 0 HA TYR B 28 -14.943 -1.531 -4.383 1.00 0.23 H new ATOM 0 HB2 TYR B 28 -15.442 -2.630 -2.313 1.00 0.19 H new ATOM 0 HB3 TYR B 28 -16.952 -2.560 -3.199 1.00 0.19 H new ATOM 0 HD1 TYR B 28 -17.285 -4.689 -4.898 1.00 0.25 H new ATOM 0 HD2 TYR B 28 -14.896 -4.673 -1.311 1.00 0.19 H new ATOM 0 HE1 TYR B 28 -17.488 -7.164 -4.751 1.00 0.27 H new ATOM 0 HE2 TYR B 28 -15.104 -7.143 -1.158 1.00 0.22 H new ATOM 0 HH TYR B 28 -15.940 -9.012 -2.072 1.00 0.28 H new ATOM 1489 N TYR B 29 -13.103 -3.352 -3.569 1.00 0.23 N ATOM 1490 CA TYR B 29 -11.812 -4.084 -3.597 1.00 0.25 C ATOM 1491 C TYR B 29 -11.320 -4.250 -2.153 1.00 0.22 C ATOM 1492 O TYR B 29 -11.327 -3.317 -1.382 1.00 0.23 O ATOM 1493 CB TYR B 29 -10.822 -3.255 -4.432 1.00 0.29 C ATOM 1494 CG TYR B 29 -9.398 -3.658 -4.133 1.00 0.31 C ATOM 1495 CD1 TYR B 29 -9.013 -5.003 -4.262 1.00 0.36 C ATOM 1496 CD2 TYR B 29 -8.459 -2.690 -3.724 1.00 0.35 C ATOM 1497 CE1 TYR B 29 -7.687 -5.386 -3.981 1.00 0.39 C ATOM 1498 CE2 TYR B 29 -7.133 -3.071 -3.444 1.00 0.38 C ATOM 1499 CZ TYR B 29 -6.747 -4.419 -3.572 1.00 0.36 C ATOM 1500 OH TYR B 29 -5.447 -4.794 -3.296 1.00 0.39 O ATOM 0 H TYR B 29 -13.284 -2.834 -2.709 1.00 0.23 H new ATOM 0 HA TYR B 29 -11.913 -5.073 -4.043 1.00 0.25 H new ATOM 0 HB2 TYR B 29 -11.029 -3.394 -5.493 1.00 0.29 H new ATOM 0 HB3 TYR B 29 -10.957 -2.195 -4.217 1.00 0.29 H new ATOM 0 HD1 TYR B 29 -9.734 -5.743 -4.577 1.00 0.36 H new ATOM 0 HD2 TYR B 29 -8.756 -1.656 -3.625 1.00 0.35 H new ATOM 0 HE1 TYR B 29 -7.391 -6.420 -4.079 1.00 0.39 H new ATOM 0 HE2 TYR B 29 -6.412 -2.330 -3.131 1.00 0.38 H new ATOM 0 HH TYR B 29 -4.929 -4.006 -3.029 1.00 0.39 H new ATOM 1510 N GLU B 30 -10.900 -5.424 -1.766 1.00 0.22 N ATOM 1511 CA GLU B 30 -10.420 -5.613 -0.361 1.00 0.20 C ATOM 1512 C GLU B 30 -8.913 -5.339 -0.294 1.00 0.21 C ATOM 1513 O GLU B 30 -8.204 -5.454 -1.274 1.00 0.24 O ATOM 1514 CB GLU B 30 -10.705 -7.048 0.090 1.00 0.22 C ATOM 1515 CG GLU B 30 -12.186 -7.190 0.453 1.00 0.25 C ATOM 1516 CD GLU B 30 -12.525 -8.670 0.639 1.00 0.69 C ATOM 1517 OE1 GLU B 30 -12.834 -9.316 -0.349 1.00 1.43 O ATOM 1518 OE2 GLU B 30 -12.471 -9.133 1.766 1.00 1.35 O ATOM 0 H GLU B 30 -10.867 -6.256 -2.355 1.00 0.22 H new ATOM 0 HA GLU B 30 -10.942 -4.919 0.298 1.00 0.20 H new ATOM 0 HB2 GLU B 30 -10.447 -7.747 -0.705 1.00 0.22 H new ATOM 0 HB3 GLU B 30 -10.084 -7.299 0.950 1.00 0.22 H new ATOM 0 HG2 GLU B 30 -12.402 -6.639 1.368 1.00 0.25 H new ATOM 0 HG3 GLU B 30 -12.807 -6.759 -0.333 1.00 0.25 H new ATOM 1525 N THR B 31 -8.427 -4.964 0.858 1.00 0.19 N ATOM 1526 CA THR B 31 -6.969 -4.665 1.005 1.00 0.21 C ATOM 1527 C THR B 31 -6.154 -5.959 0.996 1.00 0.25 C ATOM 1528 O THR B 31 -6.634 -7.013 0.629 1.00 0.27 O ATOM 1529 CB THR B 31 -6.744 -3.942 2.334 1.00 0.20 C ATOM 1530 OG1 THR B 31 -7.447 -4.627 3.353 1.00 0.21 O ATOM 1531 CG2 THR B 31 -7.252 -2.501 2.223 1.00 0.20 C ATOM 0 H THR B 31 -8.978 -4.851 1.709 1.00 0.19 H new ATOM 0 HA THR B 31 -6.648 -4.040 0.172 1.00 0.21 H new ATOM 0 HB THR B 31 -5.681 -3.924 2.575 1.00 0.20 H new ATOM 0 HG1 THR B 31 -7.541 -5.571 3.107 1.00 0.21 H new ATOM 0 HG21 THR B 31 -7.092 -1.985 3.170 1.00 0.20 H new ATOM 0 HG22 THR B 31 -6.709 -1.984 1.432 1.00 0.20 H new ATOM 0 HG23 THR B 31 -8.316 -2.508 1.989 1.00 0.20 H new ATOM 1539 N SER B 32 -4.915 -5.874 1.400 1.00 0.27 N ATOM 1540 CA SER B 32 -4.041 -7.077 1.428 1.00 0.31 C ATOM 1541 C SER B 32 -4.263 -7.847 2.728 1.00 0.33 C ATOM 1542 O SER B 32 -5.362 -7.924 3.243 1.00 0.33 O ATOM 1543 CB SER B 32 -2.582 -6.634 1.352 1.00 0.33 C ATOM 1544 OG SER B 32 -2.405 -5.790 0.221 1.00 1.27 O ATOM 0 H SER B 32 -4.469 -5.012 1.715 1.00 0.27 H new ATOM 0 HA SER B 32 -4.282 -7.720 0.582 1.00 0.31 H new ATOM 0 HB2 SER B 32 -2.303 -6.104 2.263 1.00 0.33 H new ATOM 0 HB3 SER B 32 -1.929 -7.504 1.277 1.00 0.33 H new ATOM 0 HG SER B 32 -1.637 -6.101 -0.302 1.00 1.27 H new ATOM 1550 N SER B 33 -3.220 -8.419 3.260 1.00 0.36 N ATOM 1551 CA SER B 33 -3.337 -9.195 4.530 1.00 0.40 C ATOM 1552 C SER B 33 -2.074 -8.982 5.359 1.00 0.40 C ATOM 1553 O SER B 33 -2.113 -8.908 6.570 1.00 0.42 O ATOM 1554 CB SER B 33 -3.467 -10.677 4.198 1.00 0.46 C ATOM 1555 OG SER B 33 -2.177 -11.215 3.937 1.00 0.48 O ATOM 0 H SER B 33 -2.280 -8.383 2.866 1.00 0.36 H new ATOM 0 HA SER B 33 -4.211 -8.862 5.089 1.00 0.40 H new ATOM 0 HB2 SER B 33 -3.934 -11.208 5.028 1.00 0.46 H new ATOM 0 HB3 SER B 33 -4.112 -10.812 3.330 1.00 0.46 H new ATOM 0 HG SER B 33 -2.257 -12.168 3.725 1.00 0.48 H new ATOM 1561 N LEU B 34 -0.951 -8.891 4.697 1.00 0.39 N ATOM 1562 CA LEU B 34 0.348 -8.686 5.405 1.00 0.39 C ATOM 1563 C LEU B 34 0.174 -7.694 6.555 1.00 0.37 C ATOM 1564 O LEU B 34 0.473 -7.987 7.696 1.00 0.40 O ATOM 1565 CB LEU B 34 1.381 -8.127 4.424 1.00 0.36 C ATOM 1566 CG LEU B 34 1.303 -8.875 3.092 1.00 0.39 C ATOM 1567 CD1 LEU B 34 2.456 -8.421 2.193 1.00 0.40 C ATOM 1568 CD2 LEU B 34 1.409 -10.383 3.340 1.00 0.45 C ATOM 0 H LEU B 34 -0.877 -8.951 3.681 1.00 0.39 H new ATOM 0 HA LEU B 34 0.685 -9.644 5.801 1.00 0.39 H new ATOM 0 HB2 LEU B 34 1.203 -7.064 4.263 1.00 0.36 H new ATOM 0 HB3 LEU B 34 2.382 -8.222 4.845 1.00 0.36 H new ATOM 0 HG LEU B 34 0.351 -8.658 2.607 1.00 0.39 H new ATOM 0 HD11 LEU B 34 2.406 -8.951 1.242 1.00 0.40 H new ATOM 0 HD12 LEU B 34 2.378 -7.348 2.016 1.00 0.40 H new ATOM 0 HD13 LEU B 34 3.406 -8.640 2.681 1.00 0.40 H new ATOM 0 HD21 LEU B 34 1.353 -10.913 2.389 1.00 0.45 H new ATOM 0 HD22 LEU B 34 2.360 -10.606 3.824 1.00 0.45 H new ATOM 0 HD23 LEU B 34 0.590 -10.704 3.983 1.00 0.45 H new ATOM 1580 N CYS B 35 -0.304 -6.520 6.260 1.00 0.33 N ATOM 1581 CA CYS B 35 -0.496 -5.507 7.332 1.00 0.34 C ATOM 1582 C CYS B 35 -1.641 -5.950 8.247 1.00 0.39 C ATOM 1583 O CYS B 35 -2.707 -6.310 7.796 1.00 0.39 O ATOM 1584 CB CYS B 35 -0.813 -4.146 6.701 1.00 0.32 C ATOM 1585 SG CYS B 35 -1.919 -4.368 5.285 1.00 0.40 S ATOM 0 H CYS B 35 -0.570 -6.218 5.323 1.00 0.33 H new ATOM 0 HA CYS B 35 0.416 -5.416 7.923 1.00 0.34 H new ATOM 0 HB2 CYS B 35 -1.279 -3.493 7.439 1.00 0.32 H new ATOM 0 HB3 CYS B 35 0.109 -3.660 6.381 1.00 0.32 H new ATOM 1590 N SER B 36 -1.412 -5.952 9.530 1.00 0.44 N ATOM 1591 CA SER B 36 -2.470 -6.385 10.489 1.00 0.51 C ATOM 1592 C SER B 36 -3.656 -5.408 10.490 1.00 0.51 C ATOM 1593 O SER B 36 -4.290 -5.215 11.509 1.00 0.58 O ATOM 1594 CB SER B 36 -1.875 -6.452 11.895 1.00 0.59 C ATOM 1595 OG SER B 36 -1.794 -5.140 12.433 1.00 1.41 O ATOM 0 H SER B 36 -0.531 -5.670 9.960 1.00 0.44 H new ATOM 0 HA SER B 36 -2.833 -7.365 10.180 1.00 0.51 H new ATOM 0 HB2 SER B 36 -2.493 -7.082 12.534 1.00 0.59 H new ATOM 0 HB3 SER B 36 -0.885 -6.906 11.862 1.00 0.59 H new ATOM 0 HG SER B 36 -2.694 -4.822 12.657 1.00 1.41 H new ATOM 1601 N GLN B 37 -3.974 -4.781 9.385 1.00 0.45 N ATOM 1602 CA GLN B 37 -5.127 -3.827 9.394 1.00 0.47 C ATOM 1603 C GLN B 37 -5.752 -3.698 7.996 1.00 0.36 C ATOM 1604 O GLN B 37 -5.722 -2.633 7.418 1.00 0.35 O ATOM 1605 CB GLN B 37 -4.635 -2.450 9.854 1.00 0.55 C ATOM 1606 CG GLN B 37 -3.344 -2.090 9.116 1.00 0.78 C ATOM 1607 CD GLN B 37 -2.893 -0.688 9.528 1.00 0.79 C ATOM 1608 OE1 GLN B 37 -3.568 0.285 9.252 1.00 1.24 O ATOM 1609 NE2 GLN B 37 -1.774 -0.541 10.183 1.00 1.48 N ATOM 0 H GLN B 37 -3.495 -4.885 8.491 1.00 0.45 H new ATOM 0 HA GLN B 37 -5.886 -4.209 10.076 1.00 0.47 H new ATOM 0 HB2 GLN B 37 -5.398 -1.697 9.659 1.00 0.55 H new ATOM 0 HB3 GLN B 37 -4.460 -2.456 10.930 1.00 0.55 H new ATOM 0 HG2 GLN B 37 -2.565 -2.817 9.348 1.00 0.78 H new ATOM 0 HG3 GLN B 37 -3.506 -2.129 8.039 1.00 0.78 H new ATOM 0 HE21 GLN B 37 -1.208 -1.357 10.415 1.00 1.48 H new ATOM 0 HE22 GLN B 37 -1.466 0.390 10.463 1.00 1.48 H new ATOM 1618 N PRO B 38 -6.329 -4.771 7.498 1.00 0.34 N ATOM 1619 CA PRO B 38 -6.988 -4.749 6.176 1.00 0.26 C ATOM 1620 C PRO B 38 -8.239 -3.861 6.258 1.00 0.25 C ATOM 1621 O PRO B 38 -8.574 -3.334 7.299 1.00 0.27 O ATOM 1622 CB PRO B 38 -7.367 -6.225 5.901 1.00 0.33 C ATOM 1623 CG PRO B 38 -7.074 -7.031 7.199 1.00 0.43 C ATOM 1624 CD PRO B 38 -6.368 -6.078 8.191 1.00 0.43 C ATOM 0 HA PRO B 38 -6.357 -4.348 5.383 1.00 0.26 H new ATOM 0 HB2 PRO B 38 -8.419 -6.306 5.628 1.00 0.33 H new ATOM 0 HB3 PRO B 38 -6.789 -6.620 5.065 1.00 0.33 H new ATOM 0 HG2 PRO B 38 -7.999 -7.414 7.629 1.00 0.43 H new ATOM 0 HG3 PRO B 38 -6.443 -7.893 6.981 1.00 0.43 H new ATOM 0 HD2 PRO B 38 -6.915 -6.011 9.132 1.00 0.43 H new ATOM 0 HD3 PRO B 38 -5.364 -6.429 8.430 1.00 0.43 H new ATOM 1632 N ALA B 39 -8.927 -3.703 5.167 1.00 0.23 N ATOM 1633 CA ALA B 39 -10.154 -2.869 5.156 1.00 0.22 C ATOM 1634 C ALA B 39 -10.849 -3.074 3.814 1.00 0.19 C ATOM 1635 O ALA B 39 -10.281 -3.644 2.902 1.00 0.22 O ATOM 1636 CB ALA B 39 -9.777 -1.395 5.321 1.00 0.23 C ATOM 0 H ALA B 39 -8.687 -4.123 4.269 1.00 0.23 H new ATOM 0 HA ALA B 39 -10.815 -3.154 5.974 1.00 0.22 H new ATOM 0 HB1 ALA B 39 -10.680 -0.785 5.312 1.00 0.23 H new ATOM 0 HB2 ALA B 39 -9.255 -1.257 6.268 1.00 0.23 H new ATOM 0 HB3 ALA B 39 -9.127 -1.092 4.500 1.00 0.23 H new ATOM 1642 N VAL B 40 -12.059 -2.605 3.665 1.00 0.15 N ATOM 1643 CA VAL B 40 -12.767 -2.767 2.359 1.00 0.13 C ATOM 1644 C VAL B 40 -12.630 -1.465 1.577 1.00 0.13 C ATOM 1645 O VAL B 40 -12.830 -0.385 2.098 1.00 0.18 O ATOM 1646 CB VAL B 40 -14.250 -3.083 2.600 1.00 0.12 C ATOM 1647 CG1 VAL B 40 -15.049 -2.863 1.309 1.00 0.12 C ATOM 1648 CG2 VAL B 40 -14.381 -4.544 3.024 1.00 0.16 C ATOM 0 H VAL B 40 -12.588 -2.118 4.388 1.00 0.15 H new ATOM 0 HA VAL B 40 -12.329 -3.590 1.795 1.00 0.13 H new ATOM 0 HB VAL B 40 -14.638 -2.427 3.379 1.00 0.12 H new ATOM 0 HG11 VAL B 40 -16.100 -3.089 1.489 1.00 0.12 H new ATOM 0 HG12 VAL B 40 -14.950 -1.825 0.993 1.00 0.12 H new ATOM 0 HG13 VAL B 40 -14.665 -3.519 0.527 1.00 0.12 H new ATOM 0 HG21 VAL B 40 -15.431 -4.780 3.198 1.00 0.16 H new ATOM 0 HG22 VAL B 40 -13.990 -5.188 2.236 1.00 0.16 H new ATOM 0 HG23 VAL B 40 -13.815 -4.709 3.941 1.00 0.16 H new ATOM 1658 N VAL B 41 -12.277 -1.572 0.330 1.00 0.15 N ATOM 1659 CA VAL B 41 -12.100 -0.362 -0.531 1.00 0.16 C ATOM 1660 C VAL B 41 -13.256 -0.274 -1.525 1.00 0.16 C ATOM 1661 O VAL B 41 -13.438 -1.139 -2.354 1.00 0.18 O ATOM 1662 CB VAL B 41 -10.773 -0.486 -1.276 1.00 0.21 C ATOM 1663 CG1 VAL B 41 -10.350 0.873 -1.824 1.00 0.25 C ATOM 1664 CG2 VAL B 41 -9.707 -0.992 -0.302 1.00 0.23 C ATOM 0 H VAL B 41 -12.100 -2.459 -0.141 1.00 0.15 H new ATOM 0 HA VAL B 41 -12.093 0.541 0.080 1.00 0.16 H new ATOM 0 HB VAL B 41 -10.887 -1.182 -2.107 1.00 0.21 H new ATOM 0 HG11 VAL B 41 -9.402 0.773 -2.353 1.00 0.25 H new ATOM 0 HG12 VAL B 41 -11.112 1.242 -2.511 1.00 0.25 H new ATOM 0 HG13 VAL B 41 -10.233 1.577 -1.000 1.00 0.25 H new ATOM 0 HG21 VAL B 41 -8.754 -1.085 -0.822 1.00 0.23 H new ATOM 0 HG22 VAL B 41 -9.603 -0.287 0.522 1.00 0.23 H new ATOM 0 HG23 VAL B 41 -10.004 -1.965 0.089 1.00 0.23 H new ATOM 1674 N PHE B 42 -14.052 0.757 -1.444 1.00 0.15 N ATOM 1675 CA PHE B 42 -15.208 0.881 -2.380 1.00 0.17 C ATOM 1676 C PHE B 42 -14.805 1.659 -3.631 1.00 0.21 C ATOM 1677 O PHE B 42 -14.172 2.693 -3.564 1.00 0.23 O ATOM 1678 CB PHE B 42 -16.354 1.616 -1.678 1.00 0.16 C ATOM 1679 CG PHE B 42 -17.056 0.668 -0.736 1.00 0.14 C ATOM 1680 CD1 PHE B 42 -17.766 -0.432 -1.251 1.00 0.14 C ATOM 1681 CD2 PHE B 42 -17.001 0.882 0.652 1.00 0.13 C ATOM 1682 CE1 PHE B 42 -18.424 -1.318 -0.379 1.00 0.14 C ATOM 1683 CE2 PHE B 42 -17.658 -0.002 1.525 1.00 0.14 C ATOM 1684 CZ PHE B 42 -18.371 -1.103 1.010 1.00 0.14 C ATOM 0 H PHE B 42 -13.953 1.518 -0.772 1.00 0.15 H new ATOM 0 HA PHE B 42 -15.528 -0.119 -2.674 1.00 0.17 H new ATOM 0 HB2 PHE B 42 -15.967 2.473 -1.127 1.00 0.16 H new ATOM 0 HB3 PHE B 42 -17.058 2.002 -2.415 1.00 0.16 H new ATOM 0 HD1 PHE B 42 -17.806 -0.596 -2.318 1.00 0.14 H new ATOM 0 HD2 PHE B 42 -16.454 1.725 1.047 1.00 0.13 H new ATOM 0 HE1 PHE B 42 -18.969 -2.162 -0.775 1.00 0.14 H new ATOM 0 HE2 PHE B 42 -17.616 0.163 2.592 1.00 0.14 H new ATOM 0 HZ PHE B 42 -18.876 -1.781 1.681 1.00 0.14 H new ATOM 1694 N GLN B 43 -15.205 1.172 -4.775 1.00 0.24 N ATOM 1695 CA GLN B 43 -14.897 1.872 -6.052 1.00 0.28 C ATOM 1696 C GLN B 43 -16.129 2.705 -6.416 1.00 0.30 C ATOM 1697 O GLN B 43 -17.220 2.175 -6.533 1.00 0.30 O ATOM 1698 CB GLN B 43 -14.616 0.824 -7.132 1.00 0.32 C ATOM 1699 CG GLN B 43 -13.395 -0.009 -6.732 1.00 0.32 C ATOM 1700 CD GLN B 43 -13.335 -1.273 -7.590 1.00 0.58 C ATOM 1701 OE1 GLN B 43 -12.968 -2.329 -7.113 1.00 1.29 O ATOM 1702 NE2 GLN B 43 -13.680 -1.211 -8.847 1.00 1.31 N ATOM 0 H GLN B 43 -15.738 0.309 -4.878 1.00 0.24 H new ATOM 0 HA GLN B 43 -14.023 2.517 -5.962 1.00 0.28 H new ATOM 0 HB2 GLN B 43 -15.484 0.177 -7.261 1.00 0.32 H new ATOM 0 HB3 GLN B 43 -14.438 1.313 -8.090 1.00 0.32 H new ATOM 0 HG2 GLN B 43 -12.484 0.575 -6.863 1.00 0.32 H new ATOM 0 HG3 GLN B 43 -13.454 -0.276 -5.677 1.00 0.32 H new ATOM 0 HE21 GLN B 43 -13.988 -0.325 -9.248 1.00 1.31 H new ATOM 0 HE22 GLN B 43 -13.642 -2.048 -9.428 1.00 1.31 H new ATOM 1711 N THR B 44 -15.989 4.011 -6.544 1.00 0.32 N ATOM 1712 CA THR B 44 -17.198 4.861 -6.835 1.00 0.34 C ATOM 1713 C THR B 44 -17.303 5.216 -8.317 1.00 0.39 C ATOM 1714 O THR B 44 -16.826 4.507 -9.181 1.00 0.41 O ATOM 1715 CB THR B 44 -17.112 6.158 -6.032 1.00 0.34 C ATOM 1716 OG1 THR B 44 -16.280 7.076 -6.717 1.00 0.38 O ATOM 1717 CG2 THR B 44 -16.521 5.858 -4.654 1.00 0.29 C ATOM 0 H THR B 44 -15.107 4.517 -6.461 1.00 0.32 H new ATOM 0 HA THR B 44 -18.079 4.284 -6.555 1.00 0.34 H new ATOM 0 HB THR B 44 -18.107 6.588 -5.915 1.00 0.34 H new ATOM 0 HG1 THR B 44 -16.632 7.984 -6.604 1.00 0.38 H new ATOM 0 HG21 THR B 44 -16.457 6.780 -4.077 1.00 0.29 H new ATOM 0 HG22 THR B 44 -17.160 5.146 -4.131 1.00 0.29 H new ATOM 0 HG23 THR B 44 -15.524 5.433 -4.770 1.00 0.29 H new ATOM 1725 N LYS B 45 -17.957 6.320 -8.603 1.00 0.43 N ATOM 1726 CA LYS B 45 -18.150 6.770 -10.016 1.00 0.48 C ATOM 1727 C LYS B 45 -17.438 8.109 -10.241 1.00 0.51 C ATOM 1728 O LYS B 45 -17.038 8.424 -11.345 1.00 0.56 O ATOM 1729 CB LYS B 45 -19.650 6.959 -10.276 1.00 0.50 C ATOM 1730 CG LYS B 45 -20.438 5.783 -9.694 1.00 0.46 C ATOM 1731 CD LYS B 45 -21.928 5.987 -9.977 1.00 0.49 C ATOM 1732 CE LYS B 45 -22.712 4.734 -9.579 1.00 0.54 C ATOM 1733 NZ LYS B 45 -24.153 5.083 -9.417 1.00 1.55 N ATOM 0 H LYS B 45 -18.371 6.936 -7.903 1.00 0.43 H new ATOM 0 HA LYS B 45 -17.737 6.022 -10.692 1.00 0.48 H new ATOM 0 HB2 LYS B 45 -19.990 7.892 -9.827 1.00 0.50 H new ATOM 0 HB3 LYS B 45 -19.834 7.035 -11.348 1.00 0.50 H new ATOM 0 HG2 LYS B 45 -20.097 4.847 -10.136 1.00 0.46 H new ATOM 0 HG3 LYS B 45 -20.266 5.710 -8.620 1.00 0.46 H new ATOM 0 HD2 LYS B 45 -22.298 6.849 -9.422 1.00 0.49 H new ATOM 0 HD3 LYS B 45 -22.080 6.200 -11.035 1.00 0.49 H new ATOM 0 HE2 LYS B 45 -22.597 3.962 -10.340 1.00 0.54 H new ATOM 0 HE3 LYS B 45 -22.318 4.325 -8.648 1.00 0.54 H new ATOM 0 HZ1 LYS B 45 -24.644 4.310 -8.924 1.00 1.55 H new ATOM 0 HZ2 LYS B 45 -24.238 5.957 -8.860 1.00 1.55 H new ATOM 0 HZ3 LYS B 45 -24.583 5.225 -10.353 1.00 1.55 H new ATOM 1747 N ARG B 46 -17.284 8.904 -9.204 1.00 0.50 N ATOM 1748 CA ARG B 46 -16.606 10.236 -9.350 1.00 0.54 C ATOM 1749 C ARG B 46 -15.375 10.250 -8.441 1.00 0.49 C ATOM 1750 O ARG B 46 -15.138 11.172 -7.691 1.00 0.48 O ATOM 1751 CB ARG B 46 -17.590 11.353 -8.945 1.00 0.59 C ATOM 1752 CG ARG B 46 -17.193 12.711 -9.571 1.00 0.72 C ATOM 1753 CD ARG B 46 -16.055 13.383 -8.790 1.00 0.92 C ATOM 1754 NE ARG B 46 -16.067 14.847 -9.070 1.00 1.48 N ATOM 1755 CZ ARG B 46 -15.416 15.664 -8.291 1.00 2.13 C ATOM 1756 NH1 ARG B 46 -14.766 15.202 -7.258 1.00 2.62 N ATOM 1757 NH2 ARG B 46 -15.418 16.945 -8.541 1.00 2.82 N ATOM 0 H ARG B 46 -17.600 8.686 -8.259 1.00 0.50 H new ATOM 0 HA ARG B 46 -16.298 10.402 -10.382 1.00 0.54 H new ATOM 0 HB2 ARG B 46 -18.598 11.085 -9.263 1.00 0.59 H new ATOM 0 HB3 ARG B 46 -17.612 11.444 -7.859 1.00 0.59 H new ATOM 0 HG2 ARG B 46 -16.885 12.559 -10.605 1.00 0.72 H new ATOM 0 HG3 ARG B 46 -18.061 13.371 -9.591 1.00 0.72 H new ATOM 0 HD2 ARG B 46 -16.176 13.204 -7.722 1.00 0.92 H new ATOM 0 HD3 ARG B 46 -15.096 12.953 -9.079 1.00 0.92 H new ATOM 0 HE ARG B 46 -16.584 15.209 -9.871 1.00 1.48 H new ATOM 0 HH11 ARG B 46 -14.767 14.201 -7.060 1.00 2.62 H new ATOM 0 HH12 ARG B 46 -14.256 15.842 -6.648 1.00 2.62 H new ATOM 0 HH21 ARG B 46 -15.929 17.307 -9.346 1.00 2.82 H new ATOM 0 HH22 ARG B 46 -14.908 17.584 -7.931 1.00 2.82 H new ATOM 1771 N SER B 47 -14.589 9.220 -8.509 1.00 0.46 N ATOM 1772 CA SER B 47 -13.367 9.151 -7.680 1.00 0.42 C ATOM 1773 C SER B 47 -12.541 7.974 -8.177 1.00 0.42 C ATOM 1774 O SER B 47 -12.162 7.910 -9.330 1.00 0.46 O ATOM 1775 CB SER B 47 -13.737 8.969 -6.199 1.00 0.38 C ATOM 1776 OG SER B 47 -14.184 7.641 -5.974 1.00 1.07 O ATOM 0 H SER B 47 -14.745 8.413 -9.113 1.00 0.46 H new ATOM 0 HA SER B 47 -12.794 10.075 -7.763 1.00 0.42 H new ATOM 0 HB2 SER B 47 -12.873 9.183 -5.570 1.00 0.38 H new ATOM 0 HB3 SER B 47 -14.517 9.677 -5.920 1.00 0.38 H new ATOM 0 HG SER B 47 -15.039 7.501 -6.433 1.00 1.07 H new ATOM 1782 N LYS B 48 -12.275 7.037 -7.334 1.00 0.38 N ATOM 1783 CA LYS B 48 -11.498 5.855 -7.754 1.00 0.40 C ATOM 1784 C LYS B 48 -11.708 4.762 -6.720 1.00 0.35 C ATOM 1785 O LYS B 48 -12.480 3.846 -6.915 1.00 0.34 O ATOM 1786 CB LYS B 48 -10.013 6.212 -7.850 1.00 0.44 C ATOM 1787 CG LYS B 48 -9.261 5.051 -8.498 1.00 1.11 C ATOM 1788 CD LYS B 48 -7.776 5.402 -8.627 1.00 1.38 C ATOM 1789 CE LYS B 48 -7.110 4.459 -9.634 1.00 2.13 C ATOM 1790 NZ LYS B 48 -7.696 3.095 -9.500 1.00 2.73 N ATOM 0 H LYS B 48 -12.566 7.037 -6.356 1.00 0.38 H new ATOM 0 HA LYS B 48 -11.830 5.513 -8.734 1.00 0.40 H new ATOM 0 HB2 LYS B 48 -9.882 7.120 -8.438 1.00 0.44 H new ATOM 0 HB3 LYS B 48 -9.610 6.414 -6.858 1.00 0.44 H new ATOM 0 HG2 LYS B 48 -9.380 4.149 -7.898 1.00 1.11 H new ATOM 0 HG3 LYS B 48 -9.680 4.838 -9.481 1.00 1.11 H new ATOM 0 HD2 LYS B 48 -7.663 6.436 -8.953 1.00 1.38 H new ATOM 0 HD3 LYS B 48 -7.287 5.318 -7.657 1.00 1.38 H new ATOM 0 HE2 LYS B 48 -7.256 4.831 -10.648 1.00 2.13 H new ATOM 0 HE3 LYS B 48 -6.035 4.423 -9.459 1.00 2.13 H new ATOM 0 HZ1 LYS B 48 -7.070 2.402 -9.958 1.00 2.73 H new ATOM 0 HZ2 LYS B 48 -7.797 2.858 -8.492 1.00 2.73 H new ATOM 0 HZ3 LYS B 48 -8.630 3.072 -9.956 1.00 2.73 H new ATOM 1804 N GLN B 49 -11.031 4.874 -5.609 1.00 0.33 N ATOM 1805 CA GLN B 49 -11.162 3.867 -4.519 1.00 0.30 C ATOM 1806 C GLN B 49 -11.286 4.606 -3.178 1.00 0.25 C ATOM 1807 O GLN B 49 -10.707 5.658 -2.981 1.00 0.26 O ATOM 1808 CB GLN B 49 -9.899 2.981 -4.521 1.00 0.35 C ATOM 1809 CG GLN B 49 -10.155 1.689 -5.309 1.00 0.82 C ATOM 1810 CD GLN B 49 -8.913 0.799 -5.245 1.00 0.89 C ATOM 1811 OE1 GLN B 49 -8.923 -0.314 -5.733 1.00 1.53 O ATOM 1812 NE2 GLN B 49 -7.835 1.246 -4.660 1.00 1.52 N ATOM 0 H GLN B 49 -10.382 5.635 -5.408 1.00 0.33 H new ATOM 0 HA GLN B 49 -12.044 3.245 -4.669 1.00 0.30 H new ATOM 0 HB2 GLN B 49 -9.065 3.526 -4.964 1.00 0.35 H new ATOM 0 HB3 GLN B 49 -9.614 2.740 -3.497 1.00 0.35 H new ATOM 0 HG2 GLN B 49 -11.015 1.162 -4.895 1.00 0.82 H new ATOM 0 HG3 GLN B 49 -10.394 1.924 -6.346 1.00 0.82 H new ATOM 0 HE21 GLN B 49 -7.827 2.180 -4.251 1.00 1.52 H new ATOM 0 HE22 GLN B 49 -7.001 0.661 -4.612 1.00 1.52 H new ATOM 1821 N VAL B 50 -12.036 4.058 -2.257 1.00 0.23 N ATOM 1822 CA VAL B 50 -12.203 4.713 -0.923 1.00 0.19 C ATOM 1823 C VAL B 50 -12.156 3.647 0.166 1.00 0.16 C ATOM 1824 O VAL B 50 -12.895 2.686 0.134 1.00 0.15 O ATOM 1825 CB VAL B 50 -13.550 5.439 -0.874 1.00 0.22 C ATOM 1826 CG1 VAL B 50 -13.602 6.335 0.366 1.00 0.24 C ATOM 1827 CG2 VAL B 50 -13.710 6.290 -2.139 1.00 0.31 C ATOM 0 H VAL B 50 -12.543 3.180 -2.371 1.00 0.23 H new ATOM 0 HA VAL B 50 -11.401 5.434 -0.764 1.00 0.19 H new ATOM 0 HB VAL B 50 -14.360 4.711 -0.823 1.00 0.22 H new ATOM 0 HG11 VAL B 50 -14.561 6.852 0.401 1.00 0.24 H new ATOM 0 HG12 VAL B 50 -13.486 5.724 1.261 1.00 0.24 H new ATOM 0 HG13 VAL B 50 -12.796 7.068 0.320 1.00 0.24 H new ATOM 0 HG21 VAL B 50 -14.668 6.809 -2.109 1.00 0.31 H new ATOM 0 HG22 VAL B 50 -12.903 7.020 -2.191 1.00 0.31 H new ATOM 0 HG23 VAL B 50 -13.673 5.646 -3.018 1.00 0.31 H new ATOM 1837 N CYS B 51 -11.294 3.811 1.130 1.00 0.16 N ATOM 1838 CA CYS B 51 -11.197 2.804 2.218 1.00 0.15 C ATOM 1839 C CYS B 51 -12.416 2.930 3.128 1.00 0.14 C ATOM 1840 O CYS B 51 -12.989 3.993 3.267 1.00 0.16 O ATOM 1841 CB CYS B 51 -9.925 3.059 3.026 1.00 0.17 C ATOM 1842 SG CYS B 51 -8.476 2.811 1.969 1.00 0.21 S ATOM 0 H CYS B 51 -10.653 4.600 1.210 1.00 0.16 H new ATOM 0 HA CYS B 51 -11.163 1.801 1.793 1.00 0.15 H new ATOM 0 HB2 CYS B 51 -9.930 4.075 3.421 1.00 0.17 H new ATOM 0 HB3 CYS B 51 -9.884 2.385 3.881 1.00 0.17 H new ATOM 1847 N ALA B 52 -12.828 1.851 3.739 1.00 0.12 N ATOM 1848 CA ALA B 52 -14.029 1.905 4.632 1.00 0.13 C ATOM 1849 C ALA B 52 -13.828 0.982 5.836 1.00 0.15 C ATOM 1850 O ALA B 52 -13.367 -0.135 5.707 1.00 0.15 O ATOM 1851 CB ALA B 52 -15.259 1.445 3.848 1.00 0.11 C ATOM 0 H ALA B 52 -12.387 0.934 3.660 1.00 0.12 H new ATOM 0 HA ALA B 52 -14.169 2.928 4.982 1.00 0.13 H new ATOM 0 HB1 ALA B 52 -16.137 1.482 4.493 1.00 0.11 H new ATOM 0 HB2 ALA B 52 -15.411 2.101 2.991 1.00 0.11 H new ATOM 0 HB3 ALA B 52 -15.108 0.423 3.500 1.00 0.11 H new ATOM 1857 N ASP B 53 -14.180 1.445 7.007 1.00 0.18 N ATOM 1858 CA ASP B 53 -14.022 0.604 8.228 1.00 0.22 C ATOM 1859 C ASP B 53 -15.036 -0.567 8.177 1.00 0.21 C ATOM 1860 O ASP B 53 -16.224 -0.314 8.183 1.00 0.22 O ATOM 1861 CB ASP B 53 -14.322 1.462 9.461 1.00 0.27 C ATOM 1862 CG ASP B 53 -13.922 0.700 10.724 1.00 1.35 C ATOM 1863 OD1 ASP B 53 -13.878 -0.519 10.668 1.00 2.17 O ATOM 1864 OD2 ASP B 53 -13.667 1.346 11.727 1.00 2.10 O ATOM 0 H ASP B 53 -14.571 2.373 7.170 1.00 0.18 H new ATOM 0 HA ASP B 53 -13.006 0.212 8.278 1.00 0.22 H new ATOM 0 HB2 ASP B 53 -13.776 2.403 9.403 1.00 0.27 H new ATOM 0 HB3 ASP B 53 -15.383 1.711 9.494 1.00 0.27 H new ATOM 1869 N PRO B 54 -14.580 -1.814 8.126 1.00 0.22 N ATOM 1870 CA PRO B 54 -15.518 -2.959 8.072 1.00 0.24 C ATOM 1871 C PRO B 54 -16.419 -2.977 9.320 1.00 0.28 C ATOM 1872 O PRO B 54 -17.334 -3.769 9.423 1.00 0.30 O ATOM 1873 CB PRO B 54 -14.616 -4.216 8.023 1.00 0.27 C ATOM 1874 CG PRO B 54 -13.136 -3.735 8.022 1.00 0.27 C ATOM 1875 CD PRO B 54 -13.146 -2.193 8.115 1.00 0.24 C ATOM 0 HA PRO B 54 -16.184 -2.905 7.211 1.00 0.24 H new ATOM 0 HB2 PRO B 54 -14.809 -4.859 8.882 1.00 0.27 H new ATOM 0 HB3 PRO B 54 -14.828 -4.804 7.130 1.00 0.27 H new ATOM 0 HG2 PRO B 54 -12.593 -4.166 8.863 1.00 0.27 H new ATOM 0 HG3 PRO B 54 -12.628 -4.061 7.114 1.00 0.27 H new ATOM 0 HD2 PRO B 54 -12.641 -1.850 9.018 1.00 0.24 H new ATOM 0 HD3 PRO B 54 -12.626 -1.744 7.269 1.00 0.24 H new ATOM 1883 N SER B 55 -16.152 -2.127 10.270 1.00 0.31 N ATOM 1884 CA SER B 55 -16.976 -2.115 11.515 1.00 0.36 C ATOM 1885 C SER B 55 -18.306 -1.392 11.275 1.00 0.36 C ATOM 1886 O SER B 55 -19.234 -1.520 12.048 1.00 0.40 O ATOM 1887 CB SER B 55 -16.205 -1.398 12.623 1.00 0.40 C ATOM 1888 OG SER B 55 -16.942 -1.478 13.835 1.00 1.42 O ATOM 0 H SER B 55 -15.400 -1.439 10.241 1.00 0.31 H new ATOM 0 HA SER B 55 -17.184 -3.144 11.808 1.00 0.36 H new ATOM 0 HB2 SER B 55 -15.222 -1.852 12.751 1.00 0.40 H new ATOM 0 HB3 SER B 55 -16.041 -0.355 12.352 1.00 0.40 H new ATOM 0 HG SER B 55 -17.895 -1.579 13.632 1.00 1.42 H new ATOM 1894 N GLU B 56 -18.413 -0.632 10.219 1.00 0.33 N ATOM 1895 CA GLU B 56 -19.694 0.092 9.952 1.00 0.33 C ATOM 1896 C GLU B 56 -20.689 -0.859 9.274 1.00 0.33 C ATOM 1897 O GLU B 56 -20.424 -1.426 8.235 1.00 0.29 O ATOM 1898 CB GLU B 56 -19.415 1.296 9.048 1.00 0.31 C ATOM 1899 CG GLU B 56 -18.861 2.455 9.883 1.00 0.35 C ATOM 1900 CD GLU B 56 -18.445 3.600 8.957 1.00 1.30 C ATOM 1901 OE1 GLU B 56 -17.610 3.368 8.098 1.00 2.01 O ATOM 1902 OE2 GLU B 56 -18.966 4.690 9.124 1.00 2.08 O ATOM 0 H GLU B 56 -17.675 -0.480 9.532 1.00 0.33 H new ATOM 0 HA GLU B 56 -20.123 0.441 10.891 1.00 0.33 H new ATOM 0 HB2 GLU B 56 -18.701 1.022 8.271 1.00 0.31 H new ATOM 0 HB3 GLU B 56 -20.331 1.604 8.544 1.00 0.31 H new ATOM 0 HG2 GLU B 56 -19.615 2.801 10.590 1.00 0.35 H new ATOM 0 HG3 GLU B 56 -18.006 2.118 10.469 1.00 0.35 H new ATOM 1909 N SER B 57 -21.829 -1.043 9.878 1.00 0.37 N ATOM 1910 CA SER B 57 -22.861 -1.964 9.316 1.00 0.38 C ATOM 1911 C SER B 57 -23.116 -1.695 7.827 1.00 0.35 C ATOM 1912 O SER B 57 -23.256 -2.614 7.046 1.00 0.34 O ATOM 1913 CB SER B 57 -24.168 -1.780 10.088 1.00 0.44 C ATOM 1914 OG SER B 57 -24.546 -0.411 10.052 1.00 1.37 O ATOM 0 H SER B 57 -22.095 -0.588 10.751 1.00 0.37 H new ATOM 0 HA SER B 57 -22.492 -2.985 9.416 1.00 0.38 H new ATOM 0 HB2 SER B 57 -24.952 -2.397 9.650 1.00 0.44 H new ATOM 0 HB3 SER B 57 -24.043 -2.108 11.120 1.00 0.44 H new ATOM 0 HG SER B 57 -25.385 -0.290 10.545 1.00 1.37 H new ATOM 1920 N TRP B 58 -23.204 -0.457 7.423 1.00 0.34 N ATOM 1921 CA TRP B 58 -23.482 -0.179 5.982 1.00 0.32 C ATOM 1922 C TRP B 58 -22.391 -0.802 5.117 1.00 0.27 C ATOM 1923 O TRP B 58 -22.626 -1.192 3.993 1.00 0.27 O ATOM 1924 CB TRP B 58 -23.597 1.330 5.741 1.00 0.34 C ATOM 1925 CG TRP B 58 -22.263 1.997 5.739 1.00 0.31 C ATOM 1926 CD1 TRP B 58 -21.789 2.767 6.743 1.00 0.32 C ATOM 1927 CD2 TRP B 58 -21.253 2.024 4.688 1.00 0.27 C ATOM 1928 NE1 TRP B 58 -20.554 3.269 6.380 1.00 0.29 N ATOM 1929 CE2 TRP B 58 -20.171 2.833 5.130 1.00 0.26 C ATOM 1930 CE3 TRP B 58 -21.163 1.430 3.408 1.00 0.27 C ATOM 1931 CZ2 TRP B 58 -19.041 3.048 4.330 1.00 0.25 C ATOM 1932 CZ3 TRP B 58 -20.026 1.642 2.599 1.00 0.27 C ATOM 1933 CH2 TRP B 58 -18.967 2.450 3.063 1.00 0.26 C ATOM 0 H TRP B 58 -23.097 0.365 8.018 1.00 0.34 H new ATOM 0 HA TRP B 58 -24.435 -0.629 5.705 1.00 0.32 H new ATOM 0 HB2 TRP B 58 -24.093 1.508 4.787 1.00 0.34 H new ATOM 0 HB3 TRP B 58 -24.224 1.774 6.514 1.00 0.34 H new ATOM 0 HD1 TRP B 58 -22.294 2.959 7.678 1.00 0.32 H new ATOM 0 HE1 TRP B 58 -19.994 3.887 6.966 1.00 0.29 H new ATOM 0 HE3 TRP B 58 -21.970 0.810 3.047 1.00 0.27 H new ATOM 0 HZ2 TRP B 58 -18.233 3.670 4.686 1.00 0.25 H new ATOM 0 HZ3 TRP B 58 -19.967 1.185 1.622 1.00 0.27 H new ATOM 0 HH2 TRP B 58 -18.098 2.609 2.442 1.00 0.26 H new ATOM 1944 N VAL B 59 -21.207 -0.932 5.634 1.00 0.24 N ATOM 1945 CA VAL B 59 -20.123 -1.558 4.833 1.00 0.20 C ATOM 1946 C VAL B 59 -20.446 -3.035 4.641 1.00 0.22 C ATOM 1947 O VAL B 59 -20.416 -3.551 3.543 1.00 0.21 O ATOM 1948 CB VAL B 59 -18.798 -1.405 5.574 1.00 0.19 C ATOM 1949 CG1 VAL B 59 -17.670 -2.073 4.781 1.00 0.18 C ATOM 1950 CG2 VAL B 59 -18.509 0.084 5.742 1.00 0.19 C ATOM 0 H VAL B 59 -20.942 -0.634 6.573 1.00 0.24 H new ATOM 0 HA VAL B 59 -20.044 -1.073 3.860 1.00 0.20 H new ATOM 0 HB VAL B 59 -18.861 -1.885 6.550 1.00 0.19 H new ATOM 0 HG11 VAL B 59 -16.729 -1.958 5.319 1.00 0.18 H new ATOM 0 HG12 VAL B 59 -17.890 -3.133 4.658 1.00 0.18 H new ATOM 0 HG13 VAL B 59 -17.587 -1.604 3.801 1.00 0.18 H new ATOM 0 HG21 VAL B 59 -17.565 0.214 6.270 1.00 0.19 H new ATOM 0 HG22 VAL B 59 -18.444 0.555 4.761 1.00 0.19 H new ATOM 0 HG23 VAL B 59 -19.312 0.548 6.315 1.00 0.19 H new ATOM 1960 N GLN B 60 -20.771 -3.716 5.699 1.00 0.25 N ATOM 1961 CA GLN B 60 -21.112 -5.161 5.571 1.00 0.28 C ATOM 1962 C GLN B 60 -22.387 -5.312 4.737 1.00 0.30 C ATOM 1963 O GLN B 60 -22.505 -6.201 3.917 1.00 0.31 O ATOM 1964 CB GLN B 60 -21.332 -5.763 6.960 1.00 0.33 C ATOM 1965 CG GLN B 60 -21.782 -7.219 6.820 1.00 1.25 C ATOM 1966 CD GLN B 60 -21.678 -7.919 8.176 1.00 1.65 C ATOM 1967 OE1 GLN B 60 -20.693 -8.569 8.465 1.00 2.33 O ATOM 1968 NE2 GLN B 60 -22.662 -7.814 9.028 1.00 2.14 N ATOM 0 H GLN B 60 -20.816 -3.339 6.646 1.00 0.25 H new ATOM 0 HA GLN B 60 -20.292 -5.684 5.079 1.00 0.28 H new ATOM 0 HB2 GLN B 60 -20.411 -5.710 7.541 1.00 0.33 H new ATOM 0 HB3 GLN B 60 -22.084 -5.189 7.502 1.00 0.33 H new ATOM 0 HG2 GLN B 60 -22.809 -7.260 6.456 1.00 1.25 H new ATOM 0 HG3 GLN B 60 -21.162 -7.733 6.085 1.00 1.25 H new ATOM 0 HE21 GLN B 60 -23.490 -7.269 8.787 1.00 2.14 H new ATOM 0 HE22 GLN B 60 -22.603 -8.277 9.935 1.00 2.14 H new ATOM 1977 N GLU B 61 -23.345 -4.451 4.945 1.00 0.31 N ATOM 1978 CA GLU B 61 -24.618 -4.540 4.173 1.00 0.33 C ATOM 1979 C GLU B 61 -24.353 -4.273 2.689 1.00 0.31 C ATOM 1980 O GLU B 61 -24.803 -4.999 1.827 1.00 0.32 O ATOM 1981 CB GLU B 61 -25.610 -3.504 4.706 1.00 0.35 C ATOM 1982 CG GLU B 61 -26.993 -3.762 4.103 1.00 0.40 C ATOM 1983 CD GLU B 61 -27.945 -2.635 4.508 1.00 1.29 C ATOM 1984 OE1 GLU B 61 -28.322 -2.594 5.668 1.00 2.03 O ATOM 1985 OE2 GLU B 61 -28.282 -1.835 3.652 1.00 1.99 O ATOM 0 H GLU B 61 -23.301 -3.687 5.619 1.00 0.31 H new ATOM 0 HA GLU B 61 -25.034 -5.541 4.287 1.00 0.33 H new ATOM 0 HB2 GLU B 61 -25.660 -3.559 5.793 1.00 0.35 H new ATOM 0 HB3 GLU B 61 -25.273 -2.499 4.453 1.00 0.35 H new ATOM 0 HG2 GLU B 61 -26.923 -3.820 3.017 1.00 0.40 H new ATOM 0 HG3 GLU B 61 -27.379 -4.721 4.449 1.00 0.40 H new ATOM 1992 N TYR B 62 -23.627 -3.233 2.387 1.00 0.28 N ATOM 1993 CA TYR B 62 -23.334 -2.912 0.959 1.00 0.28 C ATOM 1994 C TYR B 62 -22.542 -4.059 0.323 1.00 0.28 C ATOM 1995 O TYR B 62 -22.711 -4.368 -0.839 1.00 0.30 O ATOM 1996 CB TYR B 62 -22.518 -1.609 0.882 1.00 0.25 C ATOM 1997 CG TYR B 62 -23.432 -0.396 0.947 1.00 0.27 C ATOM 1998 CD1 TYR B 62 -24.422 -0.290 1.949 1.00 0.29 C ATOM 1999 CD2 TYR B 62 -23.284 0.639 0.000 1.00 0.27 C ATOM 2000 CE1 TYR B 62 -25.255 0.844 1.999 1.00 0.32 C ATOM 2001 CE2 TYR B 62 -24.120 1.771 0.051 1.00 0.29 C ATOM 2002 CZ TYR B 62 -25.104 1.874 1.051 1.00 0.31 C ATOM 2003 OH TYR B 62 -25.922 2.983 1.102 1.00 0.34 O ATOM 0 H TYR B 62 -23.223 -2.590 3.067 1.00 0.28 H new ATOM 0 HA TYR B 62 -24.271 -2.783 0.418 1.00 0.28 H new ATOM 0 HB2 TYR B 62 -21.801 -1.574 1.702 1.00 0.25 H new ATOM 0 HB3 TYR B 62 -21.944 -1.588 -0.044 1.00 0.25 H new ATOM 0 HD1 TYR B 62 -24.540 -1.079 2.677 1.00 0.29 H new ATOM 0 HD2 TYR B 62 -22.527 0.563 -0.767 1.00 0.27 H new ATOM 0 HE1 TYR B 62 -26.011 0.924 2.766 1.00 0.32 H new ATOM 0 HE2 TYR B 62 -24.006 2.560 -0.678 1.00 0.29 H new ATOM 0 HH TYR B 62 -25.685 3.598 0.377 1.00 0.34 H new ATOM 2013 N VAL B 63 -21.691 -4.700 1.072 1.00 0.27 N ATOM 2014 CA VAL B 63 -20.910 -5.827 0.501 1.00 0.28 C ATOM 2015 C VAL B 63 -21.884 -6.941 0.140 1.00 0.32 C ATOM 2016 O VAL B 63 -21.751 -7.600 -0.870 1.00 0.34 O ATOM 2017 CB VAL B 63 -19.901 -6.325 1.542 1.00 0.28 C ATOM 2018 CG1 VAL B 63 -19.315 -7.672 1.104 1.00 0.32 C ATOM 2019 CG2 VAL B 63 -18.770 -5.302 1.679 1.00 0.25 C ATOM 0 H VAL B 63 -21.504 -4.492 2.053 1.00 0.27 H new ATOM 0 HA VAL B 63 -20.365 -5.507 -0.387 1.00 0.28 H new ATOM 0 HB VAL B 63 -20.407 -6.450 2.499 1.00 0.28 H new ATOM 0 HG11 VAL B 63 -18.599 -8.017 1.850 1.00 0.32 H new ATOM 0 HG12 VAL B 63 -20.117 -8.403 1.005 1.00 0.32 H new ATOM 0 HG13 VAL B 63 -18.811 -7.555 0.145 1.00 0.32 H new ATOM 0 HG21 VAL B 63 -18.050 -5.652 2.419 1.00 0.25 H new ATOM 0 HG22 VAL B 63 -18.272 -5.179 0.717 1.00 0.25 H new ATOM 0 HG23 VAL B 63 -19.182 -4.345 1.999 1.00 0.25 H new ATOM 2029 N TYR B 64 -22.870 -7.144 0.962 1.00 0.34 N ATOM 2030 CA TYR B 64 -23.864 -8.206 0.680 1.00 0.38 C ATOM 2031 C TYR B 64 -24.605 -7.864 -0.610 1.00 0.39 C ATOM 2032 O TYR B 64 -24.855 -8.708 -1.446 1.00 0.41 O ATOM 2033 CB TYR B 64 -24.862 -8.282 1.838 1.00 0.41 C ATOM 2034 CG TYR B 64 -25.596 -9.605 1.796 1.00 0.46 C ATOM 2035 CD1 TYR B 64 -24.938 -10.788 2.182 1.00 0.48 C ATOM 2036 CD2 TYR B 64 -26.938 -9.654 1.368 1.00 0.49 C ATOM 2037 CE1 TYR B 64 -25.621 -12.019 2.142 1.00 0.52 C ATOM 2038 CE2 TYR B 64 -27.620 -10.885 1.329 1.00 0.54 C ATOM 2039 CZ TYR B 64 -26.961 -12.068 1.716 1.00 0.55 C ATOM 2040 OH TYR B 64 -27.630 -13.274 1.676 1.00 0.60 O ATOM 0 H TYR B 64 -23.030 -6.617 1.821 1.00 0.34 H new ATOM 0 HA TYR B 64 -23.361 -9.167 0.570 1.00 0.38 H new ATOM 0 HB2 TYR B 64 -24.339 -8.176 2.788 1.00 0.41 H new ATOM 0 HB3 TYR B 64 -25.573 -7.459 1.772 1.00 0.41 H new ATOM 0 HD1 TYR B 64 -23.909 -10.752 2.509 1.00 0.48 H new ATOM 0 HD2 TYR B 64 -27.443 -8.747 1.070 1.00 0.49 H new ATOM 0 HE1 TYR B 64 -25.116 -12.926 2.439 1.00 0.52 H new ATOM 0 HE2 TYR B 64 -28.649 -10.922 1.002 1.00 0.54 H new ATOM 0 HH TYR B 64 -28.546 -13.129 1.360 1.00 0.60 H new ATOM 2050 N ASP B 65 -24.956 -6.622 -0.768 1.00 0.36 N ATOM 2051 CA ASP B 65 -25.688 -6.196 -1.994 1.00 0.37 C ATOM 2052 C ASP B 65 -24.812 -6.433 -3.227 1.00 0.37 C ATOM 2053 O ASP B 65 -25.294 -6.788 -4.286 1.00 0.40 O ATOM 2054 CB ASP B 65 -26.025 -4.708 -1.882 1.00 0.35 C ATOM 2055 CG ASP B 65 -27.212 -4.517 -0.935 1.00 0.39 C ATOM 2056 OD1 ASP B 65 -27.291 -5.248 0.039 1.00 1.11 O ATOM 2057 OD2 ASP B 65 -28.023 -3.645 -1.200 1.00 1.15 O ATOM 0 H ASP B 65 -24.767 -5.877 -0.098 1.00 0.36 H new ATOM 0 HA ASP B 65 -26.606 -6.775 -2.093 1.00 0.37 H new ATOM 0 HB2 ASP B 65 -25.160 -4.156 -1.513 1.00 0.35 H new ATOM 0 HB3 ASP B 65 -26.264 -4.304 -2.866 1.00 0.35 H new ATOM 2062 N LEU B 66 -23.531 -6.240 -3.099 1.00 0.33 N ATOM 2063 CA LEU B 66 -22.619 -6.452 -4.258 1.00 0.34 C ATOM 2064 C LEU B 66 -22.512 -7.951 -4.553 1.00 0.39 C ATOM 2065 O LEU B 66 -22.299 -8.360 -5.677 1.00 0.42 O ATOM 2066 CB LEU B 66 -21.234 -5.889 -3.910 1.00 0.31 C ATOM 2067 CG LEU B 66 -21.211 -4.358 -4.111 1.00 0.28 C ATOM 2068 CD1 LEU B 66 -20.075 -3.748 -3.286 1.00 0.24 C ATOM 2069 CD2 LEU B 66 -20.975 -4.018 -5.592 1.00 0.30 C ATOM 0 H LEU B 66 -23.073 -5.943 -2.238 1.00 0.33 H new ATOM 0 HA LEU B 66 -23.010 -5.942 -5.139 1.00 0.34 H new ATOM 0 HB2 LEU B 66 -20.985 -6.131 -2.877 1.00 0.31 H new ATOM 0 HB3 LEU B 66 -20.476 -6.356 -4.538 1.00 0.31 H new ATOM 0 HG LEU B 66 -22.171 -3.953 -3.791 1.00 0.28 H new ATOM 0 HD11 LEU B 66 -20.061 -2.668 -3.429 1.00 0.24 H new ATOM 0 HD12 LEU B 66 -20.231 -3.972 -2.231 1.00 0.24 H new ATOM 0 HD13 LEU B 66 -19.123 -4.170 -3.610 1.00 0.24 H new ATOM 0 HD21 LEU B 66 -20.961 -2.936 -5.719 1.00 0.30 H new ATOM 0 HD22 LEU B 66 -20.020 -4.433 -5.913 1.00 0.30 H new ATOM 0 HD23 LEU B 66 -21.777 -4.444 -6.195 1.00 0.30 H new ATOM 2081 N GLU B 67 -22.660 -8.769 -3.551 1.00 0.40 N ATOM 2082 CA GLU B 67 -22.573 -10.241 -3.768 1.00 0.45 C ATOM 2083 C GLU B 67 -23.827 -10.717 -4.500 1.00 0.50 C ATOM 2084 O GLU B 67 -23.798 -11.679 -5.243 1.00 0.55 O ATOM 2085 CB GLU B 67 -22.482 -10.946 -2.414 1.00 0.46 C ATOM 2086 CG GLU B 67 -21.154 -10.595 -1.737 1.00 0.44 C ATOM 2087 CD GLU B 67 -20.025 -11.435 -2.339 1.00 1.13 C ATOM 2088 OE1 GLU B 67 -19.994 -12.627 -2.075 1.00 1.88 O ATOM 2089 OE2 GLU B 67 -19.211 -10.874 -3.055 1.00 1.81 O ATOM 0 H GLU B 67 -22.838 -8.483 -2.588 1.00 0.40 H new ATOM 0 HA GLU B 67 -21.690 -10.473 -4.363 1.00 0.45 H new ATOM 0 HB2 GLU B 67 -23.315 -10.644 -1.780 1.00 0.46 H new ATOM 0 HB3 GLU B 67 -22.558 -12.025 -2.549 1.00 0.46 H new ATOM 0 HG2 GLU B 67 -20.939 -9.534 -1.867 1.00 0.44 H new ATOM 0 HG3 GLU B 67 -21.223 -10.778 -0.665 1.00 0.44 H new