USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1040 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 44 THR OG1 : rot 143:sc= 1.06 USER MOD Set 1.2: B 47 SER OG : rot -71:sc= 0.541! USER MOD Set 2.1: A 44 THR OG1 : rot 142:sc= 1.11 USER MOD Set 2.2: A 47 SER OG : rot -76:sc= 0.366! USER MOD Single : A 1 ALA N :NH3+ -116:sc= -0.99 (180deg=-3.46!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.737 USER MOD Single : A 14 SER OG : rot -86:sc= 1.73 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.323 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.678 X(o=-0.68,f=-0.57) 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 22:sc= -1.21 USER MOD Single : A 32 SER OG : rot 150:sc= 0.228 USER MOD Single : A 33 SER OG : rot 180:sc= -0.124 USER MOD Single : A 36 SER OG : rot -50:sc= 0.935 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 43 GLN : amide:sc= -3.59! C(o=-3.6!,f=-11!) USER MOD Single : A 45 LYS NZ :NH3+ -127:sc= -2.76! (180deg=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= -1.52! (180deg=-2.05!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 55 SER OG : rot 180:sc= -0.327 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 62 TYR OH : rot 180:sc= -0.435 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -2.48! C(o=-2.5!,f=-3.1!) USER MOD Single : B 1 ALA N :NH3+ -122:sc= -1.12 (180deg=-3.62!) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot -31:sc= -0.189 USER MOD Single : B 14 SER OG : rot -92:sc= 1.62 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.449 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 ASN : amide:sc= -0.733 X(o=-0.73,f=-0.57) 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 23:sc= -1.25 USER MOD Single : B 32 SER OG : rot 160:sc= 0.202 USER MOD Single : B 33 SER OG : rot 180:sc= -0.223 USER MOD Single : B 36 SER OG : rot -45:sc= 0.891 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : B 43 GLN : amide:sc= -3.55! C(o=-3.5!,f=-11!) USER MOD Single : B 45 LYS NZ :NH3+ -124:sc= -2.66! (180deg=-3.99!) USER MOD Single : B 48 LYS NZ :NH3+ -157:sc= -1.52 (180deg=-2.17!) USER MOD Single : B 49 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 55 SER OG : rot 180:sc= -0.322 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 62 TYR OH : rot 180:sc= -0.441 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 ASN : amide:sc= -2.37! C(o=-2.4!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.006 20.409 -9.793 1.00 3.98 N ATOM 2 CA ALA A 1 -9.047 19.277 -9.653 1.00 3.41 C ATOM 3 C ALA A 1 -9.564 18.289 -8.596 1.00 2.89 C ATOM 4 O ALA A 1 -8.970 18.160 -7.544 1.00 2.91 O ATOM 5 CB ALA A 1 -7.687 19.823 -9.212 1.00 3.83 C ATOM 0 H1 ALA A 1 -10.410 20.406 -10.752 1.00 3.98 H new ATOM 0 H2 ALA A 1 -10.770 20.305 -9.095 1.00 3.98 H new ATOM 0 H3 ALA A 1 -9.508 21.308 -9.630 1.00 3.98 H new ATOM 0 HA ALA A 1 -8.948 18.764 -10.609 1.00 3.41 H new ATOM 0 HB1 ALA A 1 -6.981 18.999 -9.108 1.00 3.83 H new ATOM 0 HB2 ALA A 1 -7.317 20.526 -9.959 1.00 3.83 H new ATOM 0 HB3 ALA A 1 -7.793 20.333 -8.255 1.00 3.83 H new ATOM 13 N PRO A 2 -10.656 17.616 -8.896 1.00 2.53 N ATOM 14 CA PRO A 2 -11.243 16.643 -7.955 1.00 2.14 C ATOM 15 C PRO A 2 -10.249 15.501 -7.696 1.00 1.85 C ATOM 16 O PRO A 2 -10.085 14.612 -8.508 1.00 1.89 O ATOM 17 CB PRO A 2 -12.527 16.133 -8.655 1.00 1.96 C ATOM 18 CG PRO A 2 -12.623 16.848 -10.035 1.00 2.21 C ATOM 19 CD PRO A 2 -11.387 17.766 -10.174 1.00 2.60 C ATOM 0 HA PRO A 2 -11.471 17.079 -6.983 1.00 2.14 H new ATOM 0 HB2 PRO A 2 -12.489 15.051 -8.785 1.00 1.96 H new ATOM 0 HB3 PRO A 2 -13.406 16.350 -8.049 1.00 1.96 H new ATOM 0 HG2 PRO A 2 -12.650 16.117 -10.843 1.00 2.21 H new ATOM 0 HG3 PRO A 2 -13.542 17.431 -10.101 1.00 2.21 H new ATOM 0 HD2 PRO A 2 -10.768 17.469 -11.021 1.00 2.60 H new ATOM 0 HD3 PRO A 2 -11.681 18.802 -10.342 1.00 2.60 H new ATOM 27 N MET A 3 -9.586 15.523 -6.572 1.00 1.69 N ATOM 28 CA MET A 3 -8.608 14.442 -6.262 1.00 1.53 C ATOM 29 C MET A 3 -9.358 13.205 -5.764 1.00 1.17 C ATOM 30 O MET A 3 -10.504 13.282 -5.366 1.00 0.99 O ATOM 31 CB MET A 3 -7.643 14.923 -5.175 1.00 1.63 C ATOM 32 CG MET A 3 -7.157 16.336 -5.508 1.00 2.15 C ATOM 33 SD MET A 3 -5.986 16.885 -4.243 1.00 2.54 S ATOM 34 CE MET A 3 -6.247 18.664 -4.450 1.00 3.59 C ATOM 0 H MET A 3 -9.679 16.243 -5.855 1.00 1.69 H new ATOM 0 HA MET A 3 -8.047 14.191 -7.162 1.00 1.53 H new ATOM 0 HB2 MET A 3 -8.140 14.918 -4.205 1.00 1.63 H new ATOM 0 HB3 MET A 3 -6.794 14.243 -5.102 1.00 1.63 H new ATOM 0 HG2 MET A 3 -6.681 16.347 -6.489 1.00 2.15 H new ATOM 0 HG3 MET A 3 -8.003 17.021 -5.557 1.00 2.15 H new ATOM 0 HE1 MET A 3 -5.610 19.209 -3.753 1.00 3.59 H new ATOM 0 HE2 MET A 3 -5.996 18.952 -5.471 1.00 3.59 H new ATOM 0 HE3 MET A 3 -7.291 18.904 -4.251 1.00 3.59 H new ATOM 44 N GLY A 4 -8.724 12.064 -5.782 1.00 1.14 N ATOM 45 CA GLY A 4 -9.407 10.827 -5.306 1.00 0.89 C ATOM 46 C GLY A 4 -10.030 11.086 -3.934 1.00 0.62 C ATOM 47 O GLY A 4 -9.832 12.126 -3.339 1.00 0.70 O ATOM 0 H GLY A 4 -7.765 11.935 -6.105 1.00 1.14 H new ATOM 0 HA2 GLY A 4 -10.177 10.527 -6.017 1.00 0.89 H new ATOM 0 HA3 GLY A 4 -8.693 10.005 -5.244 1.00 0.89 H new ATOM 51 N SER A 5 -10.788 10.150 -3.426 1.00 0.44 N ATOM 52 CA SER A 5 -11.430 10.346 -2.094 1.00 0.30 C ATOM 53 C SER A 5 -10.470 9.887 -0.983 1.00 0.27 C ATOM 54 O SER A 5 -9.886 10.695 -0.288 1.00 0.30 O ATOM 55 CB SER A 5 -12.748 9.555 -2.049 1.00 0.49 C ATOM 56 OG SER A 5 -13.835 10.470 -1.980 1.00 1.52 O ATOM 0 H SER A 5 -10.990 9.258 -3.877 1.00 0.44 H new ATOM 0 HA SER A 5 -11.651 11.402 -1.936 1.00 0.30 H new ATOM 0 HB2 SER A 5 -12.840 8.927 -2.935 1.00 0.49 H new ATOM 0 HB3 SER A 5 -12.759 8.891 -1.185 1.00 0.49 H new ATOM 0 HG SER A 5 -14.679 9.973 -1.953 1.00 1.52 H new ATOM 62 N ASP A 6 -10.302 8.600 -0.807 1.00 0.24 N ATOM 63 CA ASP A 6 -9.377 8.108 0.264 1.00 0.23 C ATOM 64 C ASP A 6 -8.895 6.688 -0.073 1.00 0.21 C ATOM 65 O ASP A 6 -9.269 5.745 0.596 1.00 0.20 O ATOM 66 CB ASP A 6 -10.113 8.078 1.611 1.00 0.25 C ATOM 67 CG ASP A 6 -10.905 9.373 1.799 1.00 1.26 C ATOM 68 OD1 ASP A 6 -10.307 10.357 2.203 1.00 2.00 O ATOM 69 OD2 ASP A 6 -12.096 9.361 1.534 1.00 2.03 O ATOM 0 H ASP A 6 -10.761 7.872 -1.354 1.00 0.24 H new ATOM 0 HA ASP A 6 -8.521 8.780 0.326 1.00 0.23 H new ATOM 0 HB2 ASP A 6 -10.786 7.221 1.649 1.00 0.25 H new ATOM 0 HB3 ASP A 6 -9.397 7.958 2.424 1.00 0.25 H new ATOM 74 N PRO A 7 -8.080 6.566 -1.100 1.00 0.22 N ATOM 75 CA PRO A 7 -7.556 5.251 -1.516 1.00 0.22 C ATOM 76 C PRO A 7 -6.614 4.690 -0.423 1.00 0.20 C ATOM 77 O PRO A 7 -6.242 5.409 0.483 1.00 0.20 O ATOM 78 CB PRO A 7 -6.789 5.531 -2.832 1.00 0.25 C ATOM 79 CG PRO A 7 -6.824 7.069 -3.079 1.00 0.27 C ATOM 80 CD PRO A 7 -7.626 7.708 -1.924 1.00 0.26 C ATOM 0 HA PRO A 7 -8.340 4.508 -1.661 1.00 0.22 H new ATOM 0 HB2 PRO A 7 -5.760 5.178 -2.758 1.00 0.25 H new ATOM 0 HB3 PRO A 7 -7.250 4.999 -3.664 1.00 0.25 H new ATOM 0 HG2 PRO A 7 -5.813 7.475 -3.114 1.00 0.27 H new ATOM 0 HG3 PRO A 7 -7.290 7.292 -4.039 1.00 0.27 H new ATOM 0 HD2 PRO A 7 -7.007 8.392 -1.344 1.00 0.26 H new ATOM 0 HD3 PRO A 7 -8.471 8.284 -2.301 1.00 0.26 H new ATOM 88 N PRO A 8 -6.248 3.426 -0.542 1.00 0.21 N ATOM 89 CA PRO A 8 -5.344 2.783 0.437 1.00 0.22 C ATOM 90 C PRO A 8 -3.975 3.484 0.425 1.00 0.22 C ATOM 91 O PRO A 8 -3.851 4.618 0.006 1.00 0.22 O ATOM 92 CB PRO A 8 -5.226 1.314 -0.038 1.00 0.24 C ATOM 93 CG PRO A 8 -5.969 1.204 -1.401 1.00 0.26 C ATOM 94 CD PRO A 8 -6.701 2.544 -1.639 1.00 0.24 C ATOM 0 HA PRO A 8 -5.716 2.844 1.460 1.00 0.22 H new ATOM 0 HB2 PRO A 8 -4.180 1.029 -0.147 1.00 0.24 H new ATOM 0 HB3 PRO A 8 -5.666 0.637 0.695 1.00 0.24 H new ATOM 0 HG2 PRO A 8 -5.264 1.004 -2.207 1.00 0.26 H new ATOM 0 HG3 PRO A 8 -6.679 0.377 -1.385 1.00 0.26 H new ATOM 0 HD2 PRO A 8 -6.449 2.964 -2.613 1.00 0.24 H new ATOM 0 HD3 PRO A 8 -7.783 2.412 -1.619 1.00 0.24 H new ATOM 102 N THR A 9 -2.948 2.814 0.883 1.00 0.23 N ATOM 103 CA THR A 9 -1.593 3.439 0.897 1.00 0.24 C ATOM 104 C THR A 9 -0.519 2.352 0.914 1.00 0.24 C ATOM 105 O THR A 9 -0.521 1.470 1.749 1.00 0.25 O ATOM 106 CB THR A 9 -1.451 4.310 2.145 1.00 0.25 C ATOM 107 OG1 THR A 9 -2.620 5.101 2.303 1.00 0.26 O ATOM 108 CG2 THR A 9 -0.229 5.219 2.003 1.00 0.29 C ATOM 0 H THR A 9 -2.990 1.862 1.247 1.00 0.23 H new ATOM 0 HA THR A 9 -1.470 4.051 0.003 1.00 0.24 H new ATOM 0 HB THR A 9 -1.323 3.673 3.020 1.00 0.25 H new ATOM 0 HG1 THR A 9 -2.602 5.541 3.179 1.00 0.26 H new ATOM 0 HG21 THR A 9 -0.131 5.839 2.894 1.00 0.29 H new ATOM 0 HG22 THR A 9 0.666 4.609 1.885 1.00 0.29 H new ATOM 0 HG23 THR A 9 -0.351 5.858 1.129 1.00 0.29 H new ATOM 116 N ALA A 10 0.401 2.416 -0.006 1.00 0.23 N ATOM 117 CA ALA A 10 1.486 1.398 -0.057 1.00 0.23 C ATOM 118 C ALA A 10 2.429 1.585 1.131 1.00 0.22 C ATOM 119 O ALA A 10 3.484 2.177 1.007 1.00 0.27 O ATOM 120 CB ALA A 10 2.270 1.569 -1.356 1.00 0.23 C ATOM 0 H ALA A 10 0.448 3.134 -0.729 1.00 0.23 H new ATOM 0 HA ALA A 10 1.049 0.400 -0.014 1.00 0.23 H new ATOM 0 HB1 ALA A 10 3.067 0.827 -1.401 1.00 0.23 H new ATOM 0 HB2 ALA A 10 1.600 1.434 -2.206 1.00 0.23 H new ATOM 0 HB3 ALA A 10 2.703 2.569 -1.391 1.00 0.23 H new ATOM 126 N CYS A 11 2.065 1.073 2.279 1.00 0.25 N ATOM 127 CA CYS A 11 2.938 1.201 3.488 1.00 0.25 C ATOM 128 C CYS A 11 3.531 -0.172 3.810 1.00 0.25 C ATOM 129 O CYS A 11 2.861 -1.183 3.716 1.00 0.26 O ATOM 130 CB CYS A 11 2.101 1.688 4.673 1.00 0.25 C ATOM 131 SG CYS A 11 1.197 3.185 4.200 1.00 0.33 S ATOM 0 H CYS A 11 1.193 0.567 2.433 1.00 0.25 H new ATOM 0 HA CYS A 11 3.738 1.917 3.297 1.00 0.25 H new ATOM 0 HB2 CYS A 11 1.402 0.911 4.982 1.00 0.25 H new ATOM 0 HB3 CYS A 11 2.746 1.895 5.527 1.00 0.25 H new ATOM 136 N CYS A 12 4.781 -0.223 4.179 1.00 0.24 N ATOM 137 CA CYS A 12 5.405 -1.538 4.497 1.00 0.24 C ATOM 138 C CYS A 12 4.865 -2.049 5.832 1.00 0.24 C ATOM 139 O CYS A 12 4.605 -1.285 6.741 1.00 0.27 O ATOM 140 CB CYS A 12 6.925 -1.382 4.589 1.00 0.24 C ATOM 141 SG CYS A 12 7.592 -0.971 2.956 1.00 0.24 S ATOM 0 H CYS A 12 5.395 0.586 4.274 1.00 0.24 H new ATOM 0 HA CYS A 12 5.163 -2.250 3.708 1.00 0.24 H new ATOM 0 HB2 CYS A 12 7.178 -0.599 5.304 1.00 0.24 H new ATOM 0 HB3 CYS A 12 7.374 -2.305 4.955 1.00 0.24 H new ATOM 146 N PHE A 13 4.700 -3.341 5.958 1.00 0.25 N ATOM 147 CA PHE A 13 4.183 -3.925 7.234 1.00 0.27 C ATOM 148 C PHE A 13 5.355 -4.537 8.001 1.00 0.24 C ATOM 149 O PHE A 13 5.272 -4.806 9.182 1.00 0.26 O ATOM 150 CB PHE A 13 3.161 -5.018 6.910 1.00 0.30 C ATOM 151 CG PHE A 13 3.848 -6.143 6.175 1.00 0.31 C ATOM 152 CD1 PHE A 13 4.159 -6.001 4.809 1.00 0.31 C ATOM 153 CD2 PHE A 13 4.188 -7.327 6.856 1.00 0.35 C ATOM 154 CE1 PHE A 13 4.806 -7.046 4.123 1.00 0.34 C ATOM 155 CE2 PHE A 13 4.837 -8.371 6.171 1.00 0.37 C ATOM 156 CZ PHE A 13 5.146 -8.232 4.804 1.00 0.37 C ATOM 0 H PHE A 13 4.903 -4.022 5.226 1.00 0.25 H new ATOM 0 HA PHE A 13 3.707 -3.151 7.836 1.00 0.27 H new ATOM 0 HB2 PHE A 13 2.708 -5.392 7.828 1.00 0.30 H new ATOM 0 HB3 PHE A 13 2.355 -4.609 6.301 1.00 0.30 H new ATOM 0 HD1 PHE A 13 3.901 -5.091 4.288 1.00 0.31 H new ATOM 0 HD2 PHE A 13 3.951 -7.434 7.904 1.00 0.35 H new ATOM 0 HE1 PHE A 13 5.042 -6.939 3.075 1.00 0.34 H new ATOM 0 HE2 PHE A 13 5.098 -9.279 6.694 1.00 0.37 H new ATOM 0 HZ PHE A 13 5.643 -9.034 4.278 1.00 0.37 H new ATOM 166 N SER A 14 6.451 -4.756 7.327 1.00 0.21 N ATOM 167 CA SER A 14 7.643 -5.348 7.993 1.00 0.20 C ATOM 168 C SER A 14 8.893 -4.978 7.192 1.00 0.18 C ATOM 169 O SER A 14 8.901 -4.013 6.454 1.00 0.17 O ATOM 170 CB SER A 14 7.499 -6.869 8.042 1.00 0.20 C ATOM 171 OG SER A 14 7.529 -7.387 6.718 1.00 0.25 O ATOM 0 H SER A 14 6.571 -4.548 6.336 1.00 0.21 H new ATOM 0 HA SER A 14 7.728 -4.963 9.009 1.00 0.20 H new ATOM 0 HB2 SER A 14 8.305 -7.303 8.633 1.00 0.20 H new ATOM 0 HB3 SER A 14 6.563 -7.142 8.530 1.00 0.20 H new ATOM 0 HG SER A 14 6.627 -7.362 6.337 1.00 0.25 H new ATOM 177 N TYR A 15 9.949 -5.734 7.325 1.00 0.19 N ATOM 178 CA TYR A 15 11.196 -5.418 6.567 1.00 0.20 C ATOM 179 C TYR A 15 12.004 -6.702 6.371 1.00 0.24 C ATOM 180 O TYR A 15 11.892 -7.637 7.139 1.00 0.29 O ATOM 181 CB TYR A 15 12.035 -4.403 7.357 1.00 0.22 C ATOM 182 CG TYR A 15 11.127 -3.380 7.992 1.00 0.21 C ATOM 183 CD1 TYR A 15 10.688 -2.268 7.250 1.00 0.21 C ATOM 184 CD2 TYR A 15 10.718 -3.539 9.330 1.00 0.25 C ATOM 185 CE1 TYR A 15 9.839 -1.316 7.844 1.00 0.23 C ATOM 186 CE2 TYR A 15 9.868 -2.586 9.925 1.00 0.28 C ATOM 187 CZ TYR A 15 9.429 -1.475 9.182 1.00 0.27 C ATOM 188 OH TYR A 15 8.596 -0.540 9.765 1.00 0.32 O ATOM 0 H TYR A 15 10.003 -6.557 7.925 1.00 0.19 H new ATOM 0 HA TYR A 15 10.936 -4.995 5.597 1.00 0.20 H new ATOM 0 HB2 TYR A 15 12.615 -4.915 8.125 1.00 0.22 H new ATOM 0 HB3 TYR A 15 12.747 -3.911 6.695 1.00 0.22 H new ATOM 0 HD1 TYR A 15 11.003 -2.145 6.224 1.00 0.21 H new ATOM 0 HD2 TYR A 15 11.056 -4.392 9.900 1.00 0.25 H new ATOM 0 HE1 TYR A 15 9.502 -0.463 7.274 1.00 0.23 H new ATOM 0 HE2 TYR A 15 9.554 -2.708 10.951 1.00 0.28 H new ATOM 0 HH TYR A 15 8.409 -0.801 10.691 1.00 0.32 H new ATOM 198 N THR A 16 12.820 -6.756 5.353 1.00 0.22 N ATOM 199 CA THR A 16 13.632 -7.985 5.132 1.00 0.28 C ATOM 200 C THR A 16 14.514 -8.222 6.362 1.00 0.32 C ATOM 201 O THR A 16 14.228 -7.735 7.438 1.00 0.38 O ATOM 202 CB THR A 16 14.495 -7.822 3.874 1.00 0.28 C ATOM 203 OG1 THR A 16 15.270 -8.996 3.676 1.00 0.39 O ATOM 204 CG2 THR A 16 15.424 -6.616 4.023 1.00 0.27 C ATOM 0 H THR A 16 12.958 -6.010 4.671 1.00 0.22 H new ATOM 0 HA THR A 16 12.976 -8.844 4.987 1.00 0.28 H new ATOM 0 HB THR A 16 13.843 -7.663 3.015 1.00 0.28 H new ATOM 0 HG1 THR A 16 15.820 -8.893 2.872 1.00 0.39 H new ATOM 0 HG21 THR A 16 16.031 -6.511 3.124 1.00 0.27 H new ATOM 0 HG22 THR A 16 14.829 -5.714 4.166 1.00 0.27 H new ATOM 0 HG23 THR A 16 16.075 -6.762 4.885 1.00 0.27 H new ATOM 212 N ALA A 17 15.577 -8.967 6.224 1.00 0.36 N ATOM 213 CA ALA A 17 16.462 -9.231 7.399 1.00 0.42 C ATOM 214 C ALA A 17 17.910 -9.353 6.933 1.00 0.45 C ATOM 215 O ALA A 17 18.760 -9.846 7.646 1.00 0.63 O ATOM 216 CB ALA A 17 16.037 -10.541 8.064 1.00 0.50 C ATOM 0 H ALA A 17 15.872 -9.404 5.351 1.00 0.36 H new ATOM 0 HA ALA A 17 16.377 -8.409 8.110 1.00 0.42 H new ATOM 0 HB1 ALA A 17 16.679 -10.739 8.922 1.00 0.50 H new ATOM 0 HB2 ALA A 17 15.002 -10.461 8.396 1.00 0.50 H new ATOM 0 HB3 ALA A 17 16.126 -11.358 7.348 1.00 0.50 H new ATOM 222 N ARG A 18 18.199 -8.914 5.737 1.00 0.47 N ATOM 223 CA ARG A 18 19.596 -9.013 5.219 1.00 0.48 C ATOM 224 C ARG A 18 19.916 -7.798 4.347 1.00 0.41 C ATOM 225 O ARG A 18 19.153 -7.425 3.479 1.00 0.37 O ATOM 226 CB ARG A 18 19.724 -10.285 4.384 1.00 0.53 C ATOM 227 CG ARG A 18 19.243 -11.478 5.209 1.00 0.70 C ATOM 228 CD ARG A 18 19.650 -12.778 4.518 1.00 1.15 C ATOM 229 NE ARG A 18 19.018 -12.845 3.171 1.00 1.96 N ATOM 230 CZ ARG A 18 19.452 -13.704 2.288 1.00 2.64 C ATOM 231 NH1 ARG A 18 20.442 -14.501 2.586 1.00 2.84 N ATOM 232 NH2 ARG A 18 18.896 -13.764 1.109 1.00 3.63 N ATOM 0 H ARG A 18 17.528 -8.491 5.096 1.00 0.47 H new ATOM 0 HA ARG A 18 20.294 -9.043 6.056 1.00 0.48 H new ATOM 0 HB2 ARG A 18 19.134 -10.197 3.472 1.00 0.53 H new ATOM 0 HB3 ARG A 18 20.760 -10.432 4.080 1.00 0.53 H new ATOM 0 HG2 ARG A 18 19.672 -11.437 6.210 1.00 0.70 H new ATOM 0 HG3 ARG A 18 18.160 -11.440 5.325 1.00 0.70 H new ATOM 0 HD2 ARG A 18 20.735 -12.828 4.425 1.00 1.15 H new ATOM 0 HD3 ARG A 18 19.341 -13.633 5.119 1.00 1.15 H new ATOM 0 HE ARG A 18 18.246 -12.220 2.938 1.00 1.96 H new ATOM 0 HH11 ARG A 18 20.876 -14.453 3.508 1.00 2.84 H new ATOM 0 HH12 ARG A 18 20.782 -15.172 1.897 1.00 2.84 H new ATOM 0 HH21 ARG A 18 18.123 -13.140 0.877 1.00 3.63 H new ATOM 0 HH22 ARG A 18 19.235 -14.435 0.419 1.00 3.63 H new ATOM 246 N LYS A 19 21.049 -7.187 4.562 1.00 0.40 N ATOM 247 CA LYS A 19 21.427 -6.007 3.737 1.00 0.35 C ATOM 248 C LYS A 19 21.584 -6.468 2.286 1.00 0.31 C ATOM 249 O LYS A 19 22.294 -7.411 1.996 1.00 0.33 O ATOM 250 CB LYS A 19 22.752 -5.428 4.274 1.00 0.38 C ATOM 251 CG LYS A 19 23.305 -4.317 3.353 1.00 0.40 C ATOM 252 CD LYS A 19 24.797 -4.101 3.634 1.00 0.62 C ATOM 253 CE LYS A 19 25.029 -3.922 5.135 1.00 0.97 C ATOM 254 NZ LYS A 19 26.365 -3.302 5.361 1.00 1.79 N ATOM 0 H LYS A 19 21.729 -7.455 5.274 1.00 0.40 H new ATOM 0 HA LYS A 19 20.663 -5.231 3.786 1.00 0.35 H new ATOM 0 HB2 LYS A 19 22.594 -5.026 5.275 1.00 0.38 H new ATOM 0 HB3 LYS A 19 23.488 -6.227 4.364 1.00 0.38 H new ATOM 0 HG2 LYS A 19 23.159 -4.592 2.308 1.00 0.40 H new ATOM 0 HG3 LYS A 19 22.757 -3.389 3.518 1.00 0.40 H new ATOM 0 HD2 LYS A 19 25.371 -4.953 3.269 1.00 0.62 H new ATOM 0 HD3 LYS A 19 25.153 -3.222 3.096 1.00 0.62 H new ATOM 0 HE2 LYS A 19 24.248 -3.293 5.562 1.00 0.97 H new ATOM 0 HE3 LYS A 19 24.974 -4.886 5.640 1.00 0.97 H new ATOM 0 HZ1 LYS A 19 26.523 -3.180 6.382 1.00 1.79 H new ATOM 0 HZ2 LYS A 19 27.105 -3.918 4.967 1.00 1.79 H new ATOM 0 HZ3 LYS A 19 26.401 -2.374 4.892 1.00 1.79 H new ATOM 268 N LEU A 20 20.926 -5.810 1.373 1.00 0.27 N ATOM 269 CA LEU A 20 21.034 -6.206 -0.057 1.00 0.27 C ATOM 270 C LEU A 20 22.411 -5.765 -0.605 1.00 0.27 C ATOM 271 O LEU A 20 22.745 -4.604 -0.486 1.00 0.27 O ATOM 272 CB LEU A 20 19.946 -5.490 -0.859 1.00 0.24 C ATOM 273 CG LEU A 20 18.586 -5.648 -0.174 1.00 0.23 C ATOM 274 CD1 LEU A 20 17.500 -5.096 -1.099 1.00 0.22 C ATOM 275 CD2 LEU A 20 18.308 -7.131 0.109 1.00 0.27 C ATOM 0 H LEU A 20 20.317 -5.013 1.557 1.00 0.27 H new ATOM 0 HA LEU A 20 20.921 -7.287 -0.144 1.00 0.27 H new ATOM 0 HB2 LEU A 20 20.192 -4.432 -0.954 1.00 0.24 H new ATOM 0 HB3 LEU A 20 19.901 -5.898 -1.869 1.00 0.24 H new ATOM 0 HG LEU A 20 18.589 -5.102 0.770 1.00 0.23 H new ATOM 0 HD11 LEU A 20 16.526 -5.203 -0.621 1.00 0.22 H new ATOM 0 HD12 LEU A 20 17.693 -4.042 -1.298 1.00 0.22 H new ATOM 0 HD13 LEU A 20 17.506 -5.649 -2.038 1.00 0.22 H new ATOM 0 HD21 LEU A 20 17.338 -7.233 0.596 1.00 0.27 H new ATOM 0 HD22 LEU A 20 18.303 -7.686 -0.829 1.00 0.27 H new ATOM 0 HD23 LEU A 20 19.085 -7.529 0.761 1.00 0.27 H new ATOM 287 N PRO A 21 23.182 -6.662 -1.205 1.00 0.31 N ATOM 288 CA PRO A 21 24.493 -6.271 -1.758 1.00 0.34 C ATOM 289 C PRO A 21 24.313 -5.117 -2.747 1.00 0.30 C ATOM 290 O PRO A 21 23.346 -5.064 -3.478 1.00 0.29 O ATOM 291 CB PRO A 21 25.020 -7.534 -2.479 1.00 0.39 C ATOM 292 CG PRO A 21 24.044 -8.698 -2.149 1.00 0.42 C ATOM 293 CD PRO A 21 22.844 -8.095 -1.384 1.00 0.35 C ATOM 0 HA PRO A 21 25.186 -5.930 -0.989 1.00 0.34 H new ATOM 0 HB2 PRO A 21 25.071 -7.369 -3.555 1.00 0.39 H new ATOM 0 HB3 PRO A 21 26.030 -7.773 -2.145 1.00 0.39 H new ATOM 0 HG2 PRO A 21 23.709 -9.188 -3.063 1.00 0.42 H new ATOM 0 HG3 PRO A 21 24.542 -9.456 -1.545 1.00 0.42 H new ATOM 0 HD2 PRO A 21 21.918 -8.215 -1.946 1.00 0.35 H new ATOM 0 HD3 PRO A 21 22.700 -8.589 -0.423 1.00 0.35 H new ATOM 301 N ARG A 22 25.243 -4.205 -2.793 1.00 0.31 N ATOM 302 CA ARG A 22 25.122 -3.081 -3.759 1.00 0.30 C ATOM 303 C ARG A 22 24.843 -3.664 -5.146 1.00 0.31 C ATOM 304 O ARG A 22 24.131 -3.090 -5.946 1.00 0.31 O ATOM 305 CB ARG A 22 26.428 -2.284 -3.788 1.00 0.33 C ATOM 306 CG ARG A 22 26.212 -0.969 -4.541 1.00 0.69 C ATOM 307 CD ARG A 22 27.446 -0.081 -4.378 1.00 1.24 C ATOM 308 NE ARG A 22 27.159 1.274 -4.927 1.00 1.34 N ATOM 309 CZ ARG A 22 27.942 2.276 -4.631 1.00 2.07 C ATOM 310 NH1 ARG A 22 28.974 2.091 -3.855 1.00 2.89 N ATOM 311 NH2 ARG A 22 27.692 3.463 -5.111 1.00 2.44 N ATOM 0 H ARG A 22 26.077 -4.190 -2.206 1.00 0.31 H new ATOM 0 HA ARG A 22 24.311 -2.417 -3.462 1.00 0.30 H new ATOM 0 HB2 ARG A 22 26.764 -2.081 -2.771 1.00 0.33 H new ATOM 0 HB3 ARG A 22 27.211 -2.867 -4.272 1.00 0.33 H new ATOM 0 HG2 ARG A 22 26.031 -1.168 -5.597 1.00 0.69 H new ATOM 0 HG3 ARG A 22 25.329 -0.458 -4.157 1.00 0.69 H new ATOM 0 HD2 ARG A 22 27.718 -0.008 -3.325 1.00 1.24 H new ATOM 0 HD3 ARG A 22 28.296 -0.523 -4.897 1.00 1.24 H new ATOM 0 HE ARG A 22 26.352 1.419 -5.533 1.00 1.34 H new ATOM 0 HH11 ARG A 22 29.170 1.163 -3.479 1.00 2.89 H new ATOM 0 HH12 ARG A 22 29.585 2.874 -3.624 1.00 2.89 H new ATOM 0 HH21 ARG A 22 26.885 3.608 -5.717 1.00 2.44 H new ATOM 0 HH22 ARG A 22 28.304 4.246 -4.880 1.00 2.44 H new ATOM 325 N ASN A 23 25.401 -4.813 -5.427 1.00 0.34 N ATOM 326 CA ASN A 23 25.175 -5.455 -6.753 1.00 0.37 C ATOM 327 C ASN A 23 23.752 -6.018 -6.813 1.00 0.37 C ATOM 328 O ASN A 23 23.435 -6.837 -7.652 1.00 0.40 O ATOM 329 CB ASN A 23 26.180 -6.592 -6.947 1.00 0.42 C ATOM 330 CG ASN A 23 26.089 -7.117 -8.381 1.00 1.47 C ATOM 331 OD1 ASN A 23 26.457 -6.432 -9.315 1.00 2.16 O ATOM 332 ND2 ASN A 23 25.612 -8.312 -8.596 1.00 2.38 N ATOM 0 H ASN A 23 26.005 -5.335 -4.792 1.00 0.34 H new ATOM 0 HA ASN A 23 25.306 -4.714 -7.541 1.00 0.37 H new ATOM 0 HB2 ASN A 23 27.190 -6.237 -6.742 1.00 0.42 H new ATOM 0 HB3 ASN A 23 25.975 -7.397 -6.241 1.00 0.42 H new ATOM 0 HD21 ASN A 23 25.548 -8.672 -9.548 1.00 2.38 H new ATOM 0 HD22 ASN A 23 25.303 -8.887 -7.812 1.00 2.38 H new ATOM 339 N PHE A 24 22.893 -5.593 -5.922 1.00 0.33 N ATOM 340 CA PHE A 24 21.487 -6.108 -5.914 1.00 0.33 C ATOM 341 C PHE A 24 20.533 -4.948 -5.610 1.00 0.30 C ATOM 342 O PHE A 24 19.464 -5.134 -5.063 1.00 0.28 O ATOM 343 CB PHE A 24 21.363 -7.192 -4.827 1.00 0.33 C ATOM 344 CG PHE A 24 20.174 -8.095 -5.098 1.00 0.35 C ATOM 345 CD1 PHE A 24 20.114 -8.854 -6.287 1.00 0.39 C ATOM 346 CD2 PHE A 24 19.129 -8.191 -4.153 1.00 0.35 C ATOM 347 CE1 PHE A 24 19.014 -9.700 -6.527 1.00 0.41 C ATOM 348 CE2 PHE A 24 18.032 -9.037 -4.398 1.00 0.37 C ATOM 349 CZ PHE A 24 17.975 -9.791 -5.583 1.00 0.41 C ATOM 0 H PHE A 24 23.104 -4.909 -5.196 1.00 0.33 H new ATOM 0 HA PHE A 24 21.233 -6.536 -6.883 1.00 0.33 H new ATOM 0 HB2 PHE A 24 22.276 -7.786 -4.794 1.00 0.33 H new ATOM 0 HB3 PHE A 24 21.253 -6.722 -3.850 1.00 0.33 H new ATOM 0 HD1 PHE A 24 20.911 -8.786 -7.012 1.00 0.39 H new ATOM 0 HD2 PHE A 24 19.172 -7.614 -3.241 1.00 0.35 H new ATOM 0 HE1 PHE A 24 18.968 -10.280 -7.437 1.00 0.41 H new ATOM 0 HE2 PHE A 24 17.233 -9.107 -3.675 1.00 0.37 H new ATOM 0 HZ PHE A 24 17.133 -10.441 -5.769 1.00 0.41 H new ATOM 359 N VAL A 25 20.916 -3.749 -5.968 1.00 0.30 N ATOM 360 CA VAL A 25 20.046 -2.562 -5.712 1.00 0.28 C ATOM 361 C VAL A 25 20.298 -1.517 -6.803 1.00 0.30 C ATOM 362 O VAL A 25 21.149 -0.661 -6.669 1.00 0.31 O ATOM 363 CB VAL A 25 20.388 -1.956 -4.349 1.00 0.24 C ATOM 364 CG1 VAL A 25 19.427 -0.806 -4.046 1.00 0.22 C ATOM 365 CG2 VAL A 25 20.253 -3.022 -3.261 1.00 0.23 C ATOM 0 H VAL A 25 21.801 -3.540 -6.430 1.00 0.30 H new ATOM 0 HA VAL A 25 19.000 -2.868 -5.719 1.00 0.28 H new ATOM 0 HB VAL A 25 21.413 -1.584 -4.370 1.00 0.24 H new ATOM 0 HG11 VAL A 25 19.671 -0.374 -3.075 1.00 0.22 H new ATOM 0 HG12 VAL A 25 19.520 -0.041 -4.817 1.00 0.22 H new ATOM 0 HG13 VAL A 25 18.404 -1.182 -4.030 1.00 0.22 H new ATOM 0 HG21 VAL A 25 20.497 -2.586 -2.292 1.00 0.23 H new ATOM 0 HG22 VAL A 25 19.229 -3.396 -3.243 1.00 0.23 H new ATOM 0 HG23 VAL A 25 20.936 -3.845 -3.471 1.00 0.23 H new ATOM 375 N VAL A 26 19.567 -1.584 -7.884 1.00 0.33 N ATOM 376 CA VAL A 26 19.767 -0.600 -8.984 1.00 0.36 C ATOM 377 C VAL A 26 18.967 0.668 -8.697 1.00 0.35 C ATOM 378 O VAL A 26 19.148 1.685 -9.337 1.00 0.37 O ATOM 379 CB VAL A 26 19.292 -1.215 -10.299 1.00 0.41 C ATOM 380 CG1 VAL A 26 20.200 -2.385 -10.670 1.00 0.78 C ATOM 381 CG2 VAL A 26 17.854 -1.720 -10.143 1.00 0.61 C ATOM 0 H VAL A 26 18.840 -2.279 -8.051 1.00 0.33 H new ATOM 0 HA VAL A 26 20.825 -0.346 -9.056 1.00 0.36 H new ATOM 0 HB VAL A 26 19.328 -0.459 -11.084 1.00 0.41 H new ATOM 0 HG11 VAL A 26 19.862 -2.825 -11.608 1.00 0.78 H new ATOM 0 HG12 VAL A 26 21.224 -2.029 -10.784 1.00 0.78 H new ATOM 0 HG13 VAL A 26 20.163 -3.138 -9.883 1.00 0.78 H new ATOM 0 HG21 VAL A 26 17.518 -2.158 -11.083 1.00 0.61 H new ATOM 0 HG22 VAL A 26 17.817 -2.474 -9.357 1.00 0.61 H new ATOM 0 HG23 VAL A 26 17.203 -0.887 -9.878 1.00 0.61 H new ATOM 391 N ASP A 27 18.080 0.622 -7.743 1.00 0.32 N ATOM 392 CA ASP A 27 17.274 1.833 -7.429 1.00 0.31 C ATOM 393 C ASP A 27 16.495 1.601 -6.139 1.00 0.27 C ATOM 394 O ASP A 27 16.692 0.618 -5.453 1.00 0.25 O ATOM 395 CB ASP A 27 16.293 2.100 -8.576 1.00 0.34 C ATOM 396 CG ASP A 27 15.689 3.497 -8.419 1.00 0.35 C ATOM 397 OD1 ASP A 27 16.407 4.386 -7.993 1.00 1.09 O ATOM 398 OD2 ASP A 27 14.519 3.651 -8.726 1.00 1.13 O ATOM 0 H ASP A 27 17.879 -0.198 -7.170 1.00 0.32 H new ATOM 0 HA ASP A 27 17.935 2.691 -7.306 1.00 0.31 H new ATOM 0 HB2 ASP A 27 16.807 2.020 -9.534 1.00 0.34 H new ATOM 0 HB3 ASP A 27 15.503 1.349 -8.575 1.00 0.34 H new ATOM 403 N TYR A 28 15.606 2.494 -5.801 1.00 0.26 N ATOM 404 CA TYR A 28 14.816 2.313 -4.553 1.00 0.23 C ATOM 405 C TYR A 28 13.500 3.079 -4.654 1.00 0.25 C ATOM 406 O TYR A 28 13.164 3.641 -5.677 1.00 0.29 O ATOM 407 CB TYR A 28 15.619 2.800 -3.342 1.00 0.19 C ATOM 408 CG TYR A 28 15.696 4.314 -3.321 1.00 0.21 C ATOM 409 CD1 TYR A 28 16.367 5.002 -4.350 1.00 0.25 C ATOM 410 CD2 TYR A 28 15.106 5.034 -2.263 1.00 0.19 C ATOM 411 CE1 TYR A 28 16.447 6.407 -4.322 1.00 0.26 C ATOM 412 CE2 TYR A 28 15.186 6.437 -2.232 1.00 0.22 C ATOM 413 CZ TYR A 28 15.857 7.126 -3.263 1.00 0.25 C ATOM 414 OH TYR A 28 15.937 8.503 -3.234 1.00 0.28 O ATOM 0 H TYR A 28 15.394 3.338 -6.333 1.00 0.26 H new ATOM 0 HA TYR A 28 14.599 1.253 -4.424 1.00 0.23 H new ATOM 0 HB2 TYR A 28 15.154 2.442 -2.424 1.00 0.19 H new ATOM 0 HB3 TYR A 28 16.625 2.381 -3.374 1.00 0.19 H new ATOM 0 HD1 TYR A 28 16.820 4.452 -5.161 1.00 0.25 H new ATOM 0 HD2 TYR A 28 14.591 4.506 -1.474 1.00 0.19 H new ATOM 0 HE1 TYR A 28 16.961 6.934 -5.112 1.00 0.26 H new ATOM 0 HE2 TYR A 28 14.734 6.987 -1.419 1.00 0.22 H new ATOM 0 HH TYR A 28 15.477 8.841 -2.437 1.00 0.28 H new ATOM 424 N TYR A 29 12.749 3.083 -3.596 1.00 0.23 N ATOM 425 CA TYR A 29 11.439 3.781 -3.600 1.00 0.25 C ATOM 426 C TYR A 29 11.012 4.017 -2.145 1.00 0.22 C ATOM 427 O TYR A 29 11.140 3.148 -1.310 1.00 0.23 O ATOM 428 CB TYR A 29 10.428 2.889 -4.340 1.00 0.29 C ATOM 429 CG TYR A 29 9.011 3.284 -4.000 1.00 0.31 C ATOM 430 CD1 TYR A 29 8.478 4.483 -4.502 1.00 0.36 C ATOM 431 CD2 TYR A 29 8.227 2.450 -3.179 1.00 0.35 C ATOM 432 CE1 TYR A 29 7.155 4.852 -4.185 1.00 0.39 C ATOM 433 CE2 TYR A 29 6.905 2.818 -2.862 1.00 0.38 C ATOM 434 CZ TYR A 29 6.369 4.019 -3.364 1.00 0.36 C ATOM 435 OH TYR A 29 5.074 4.381 -3.053 1.00 0.39 O ATOM 0 H TYR A 29 12.989 2.626 -2.716 1.00 0.23 H new ATOM 0 HA TYR A 29 11.496 4.745 -4.105 1.00 0.25 H new ATOM 0 HB2 TYR A 29 10.584 2.970 -5.416 1.00 0.29 H new ATOM 0 HB3 TYR A 29 10.593 1.845 -4.072 1.00 0.29 H new ATOM 0 HD1 TYR A 29 9.081 5.121 -5.130 1.00 0.36 H new ATOM 0 HD2 TYR A 29 8.639 1.529 -2.793 1.00 0.35 H new ATOM 0 HE1 TYR A 29 6.744 5.773 -4.571 1.00 0.39 H new ATOM 0 HE2 TYR A 29 6.302 2.179 -2.234 1.00 0.38 H new ATOM 0 HH TYR A 29 4.672 3.696 -2.479 1.00 0.39 H new ATOM 445 N GLU A 30 10.514 5.185 -1.828 1.00 0.22 N ATOM 446 CA GLU A 30 10.092 5.465 -0.418 1.00 0.20 C ATOM 447 C GLU A 30 8.582 5.238 -0.275 1.00 0.21 C ATOM 448 O GLU A 30 7.838 5.294 -1.235 1.00 0.24 O ATOM 449 CB GLU A 30 10.430 6.918 -0.065 1.00 0.22 C ATOM 450 CG GLU A 30 11.923 7.037 0.256 1.00 0.25 C ATOM 451 CD GLU A 30 12.323 8.513 0.290 1.00 0.69 C ATOM 452 OE1 GLU A 30 11.856 9.214 1.172 1.00 1.35 O ATOM 453 OE2 GLU A 30 13.092 8.917 -0.567 1.00 1.43 O ATOM 0 H GLU A 30 10.381 5.957 -2.482 1.00 0.22 H new ATOM 0 HA GLU A 30 10.621 4.794 0.259 1.00 0.20 H new ATOM 0 HB2 GLU A 30 10.174 7.574 -0.897 1.00 0.22 H new ATOM 0 HB3 GLU A 30 9.837 7.242 0.790 1.00 0.22 H new ATOM 0 HG2 GLU A 30 12.137 6.569 1.217 1.00 0.25 H new ATOM 0 HG3 GLU A 30 12.510 6.508 -0.494 1.00 0.25 H new ATOM 460 N THR A 31 8.133 4.972 0.921 1.00 0.19 N ATOM 461 CA THR A 31 6.675 4.726 1.152 1.00 0.21 C ATOM 462 C THR A 31 5.891 6.038 1.076 1.00 0.25 C ATOM 463 O THR A 31 6.378 7.045 0.601 1.00 0.27 O ATOM 464 CB THR A 31 6.491 4.120 2.543 1.00 0.20 C ATOM 465 OG1 THR A 31 7.192 4.912 3.485 1.00 0.21 O ATOM 466 CG2 THR A 31 7.036 2.689 2.553 1.00 0.20 C ATOM 0 H THR A 31 8.716 4.913 1.756 1.00 0.19 H new ATOM 0 HA THR A 31 6.304 4.047 0.385 1.00 0.21 H new ATOM 0 HB THR A 31 5.433 4.097 2.803 1.00 0.20 H new ATOM 0 HG1 THR A 31 7.327 5.812 3.120 1.00 0.21 H new ATOM 0 HG21 THR A 31 6.905 2.257 3.545 1.00 0.20 H new ATOM 0 HG22 THR A 31 6.495 2.089 1.821 1.00 0.20 H new ATOM 0 HG23 THR A 31 8.096 2.702 2.300 1.00 0.20 H new ATOM 474 N SER A 32 4.672 6.024 1.550 1.00 0.27 N ATOM 475 CA SER A 32 3.829 7.254 1.525 1.00 0.31 C ATOM 476 C SER A 32 4.055 8.058 2.804 1.00 0.33 C ATOM 477 O SER A 32 5.158 8.167 3.301 1.00 0.33 O ATOM 478 CB SER A 32 2.357 6.853 1.436 1.00 0.33 C ATOM 479 OG SER A 32 1.582 7.987 1.071 1.00 1.27 O ATOM 0 H SER A 32 4.221 5.204 1.957 1.00 0.27 H new ATOM 0 HA SER A 32 4.100 7.862 0.662 1.00 0.31 H new ATOM 0 HB2 SER A 32 2.229 6.059 0.701 1.00 0.33 H new ATOM 0 HB3 SER A 32 2.017 6.459 2.394 1.00 0.33 H new ATOM 0 HG SER A 32 0.797 7.696 0.562 1.00 1.27 H new ATOM 485 N SER A 33 3.008 8.625 3.336 1.00 0.36 N ATOM 486 CA SER A 33 3.131 9.436 4.586 1.00 0.40 C ATOM 487 C SER A 33 1.890 9.214 5.446 1.00 0.40 C ATOM 488 O SER A 33 1.957 9.170 6.659 1.00 0.42 O ATOM 489 CB SER A 33 3.218 10.911 4.215 1.00 0.46 C ATOM 490 OG SER A 33 1.909 11.410 3.968 1.00 0.48 O ATOM 0 H SER A 33 2.063 8.562 2.957 1.00 0.36 H new ATOM 0 HA SER A 33 4.024 9.138 5.136 1.00 0.40 H new ATOM 0 HB2 SER A 33 3.688 11.474 5.021 1.00 0.46 H new ATOM 0 HB3 SER A 33 3.842 11.039 3.330 1.00 0.46 H new ATOM 0 HG SER A 33 1.960 12.359 3.731 1.00 0.48 H new ATOM 496 N LEU A 34 0.755 9.087 4.812 1.00 0.39 N ATOM 497 CA LEU A 34 -0.525 8.875 5.554 1.00 0.39 C ATOM 498 C LEU A 34 -0.310 7.913 6.724 1.00 0.37 C ATOM 499 O LEU A 34 -0.590 8.229 7.863 1.00 0.40 O ATOM 500 CB LEU A 34 -1.568 8.277 4.609 1.00 0.36 C ATOM 501 CG LEU A 34 -1.532 8.996 3.259 1.00 0.39 C ATOM 502 CD1 LEU A 34 -2.698 8.508 2.396 1.00 0.40 C ATOM 503 CD2 LEU A 34 -1.650 10.508 3.478 1.00 0.45 C ATOM 0 H LEU A 34 0.658 9.121 3.797 1.00 0.39 H new ATOM 0 HA LEU A 34 -0.870 9.836 5.937 1.00 0.39 H new ATOM 0 HB2 LEU A 34 -1.374 7.214 4.468 1.00 0.36 H new ATOM 0 HB3 LEU A 34 -2.561 8.365 5.050 1.00 0.36 H new ATOM 0 HG LEU A 34 -0.590 8.780 2.755 1.00 0.39 H new ATOM 0 HD11 LEU A 34 -2.676 9.018 1.433 1.00 0.40 H new ATOM 0 HD12 LEU A 34 -2.610 7.433 2.239 1.00 0.40 H new ATOM 0 HD13 LEU A 34 -3.640 8.725 2.900 1.00 0.40 H new ATOM 0 HD21 LEU A 34 -1.624 11.018 2.515 1.00 0.45 H new ATOM 0 HD22 LEU A 34 -2.591 10.730 3.981 1.00 0.45 H new ATOM 0 HD23 LEU A 34 -0.819 10.852 4.094 1.00 0.45 H new ATOM 515 N CYS A 35 0.182 6.740 6.447 1.00 0.33 N ATOM 516 CA CYS A 35 0.409 5.757 7.541 1.00 0.34 C ATOM 517 C CYS A 35 1.559 6.248 8.425 1.00 0.39 C ATOM 518 O CYS A 35 2.612 6.607 7.950 1.00 0.38 O ATOM 519 CB CYS A 35 0.748 4.387 6.940 1.00 0.32 C ATOM 520 SG CYS A 35 1.830 4.594 5.504 1.00 0.39 S ATOM 0 H CYS A 35 0.436 6.419 5.513 1.00 0.33 H new ATOM 0 HA CYS A 35 -0.493 5.660 8.146 1.00 0.34 H new ATOM 0 HB2 CYS A 35 1.237 3.763 7.688 1.00 0.32 H new ATOM 0 HB3 CYS A 35 -0.167 3.873 6.646 1.00 0.32 H new ATOM 525 N SER A 36 1.346 6.292 9.710 1.00 0.44 N ATOM 526 CA SER A 36 2.409 6.776 10.638 1.00 0.51 C ATOM 527 C SER A 36 3.612 5.820 10.658 1.00 0.51 C ATOM 528 O SER A 36 4.272 5.688 11.670 1.00 0.58 O ATOM 529 CB SER A 36 1.832 6.885 12.049 1.00 0.59 C ATOM 530 OG SER A 36 2.797 7.481 12.906 1.00 1.41 O ATOM 0 H SER A 36 0.475 6.012 10.162 1.00 0.44 H new ATOM 0 HA SER A 36 2.751 7.750 10.288 1.00 0.51 H new ATOM 0 HB2 SER A 36 0.921 7.483 12.037 1.00 0.59 H new ATOM 0 HB3 SER A 36 1.560 5.897 12.420 1.00 0.59 H new ATOM 0 HG SER A 36 3.655 7.019 12.804 1.00 1.41 H new ATOM 536 N GLN A 37 3.919 5.147 9.576 1.00 0.45 N ATOM 537 CA GLN A 37 5.092 4.217 9.606 1.00 0.47 C ATOM 538 C GLN A 37 5.678 4.021 8.199 1.00 0.36 C ATOM 539 O GLN A 37 5.632 2.930 7.671 1.00 0.35 O ATOM 540 CB GLN A 37 4.648 2.858 10.162 1.00 0.55 C ATOM 541 CG GLN A 37 3.346 2.415 9.488 1.00 0.78 C ATOM 542 CD GLN A 37 2.899 1.075 10.077 1.00 0.79 C ATOM 543 OE1 GLN A 37 2.771 0.937 11.277 1.00 1.24 O ATOM 544 NE2 GLN A 37 2.658 0.073 9.275 1.00 1.47 N ATOM 0 H GLN A 37 3.419 5.199 8.688 1.00 0.45 H new ATOM 0 HA GLN A 37 5.861 4.653 10.243 1.00 0.47 H new ATOM 0 HB2 GLN A 37 5.426 2.114 9.991 1.00 0.55 H new ATOM 0 HB3 GLN A 37 4.504 2.927 11.240 1.00 0.55 H new ATOM 0 HG2 GLN A 37 2.572 3.167 9.638 1.00 0.78 H new ATOM 0 HG3 GLN A 37 3.494 2.321 8.412 1.00 0.78 H new ATOM 0 HE21 GLN A 37 2.766 0.189 8.267 1.00 1.47 H new ATOM 0 HE22 GLN A 37 2.362 -0.826 9.656 1.00 1.47 H new ATOM 553 N PRO A 38 6.235 5.071 7.632 1.00 0.34 N ATOM 554 CA PRO A 38 6.852 4.988 6.293 1.00 0.26 C ATOM 555 C PRO A 38 8.113 4.116 6.371 1.00 0.25 C ATOM 556 O PRO A 38 8.500 3.657 7.427 1.00 0.27 O ATOM 557 CB PRO A 38 7.203 6.450 5.929 1.00 0.33 C ATOM 558 CG PRO A 38 6.937 7.322 7.192 1.00 0.43 C ATOM 559 CD PRO A 38 6.293 6.409 8.261 1.00 0.43 C ATOM 0 HA PRO A 38 6.199 4.539 5.545 1.00 0.26 H new ATOM 0 HB2 PRO A 38 8.246 6.529 5.621 1.00 0.33 H new ATOM 0 HB3 PRO A 38 6.596 6.793 5.091 1.00 0.33 H new ATOM 0 HG2 PRO A 38 7.867 7.751 7.564 1.00 0.43 H new ATOM 0 HG3 PRO A 38 6.276 8.155 6.951 1.00 0.43 H new ATOM 0 HD2 PRO A 38 6.887 6.391 9.175 1.00 0.43 H new ATOM 0 HD3 PRO A 38 5.298 6.761 8.534 1.00 0.43 H new ATOM 567 N ALA A 39 8.751 3.894 5.261 1.00 0.23 N ATOM 568 CA ALA A 39 9.983 3.066 5.250 1.00 0.22 C ATOM 569 C ALA A 39 10.649 3.217 3.886 1.00 0.19 C ATOM 570 O ALA A 39 10.055 3.726 2.957 1.00 0.22 O ATOM 571 CB ALA A 39 9.614 1.599 5.487 1.00 0.23 C ATOM 0 H ALA A 39 8.468 4.255 4.350 1.00 0.23 H new ATOM 0 HA ALA A 39 10.665 3.390 6.037 1.00 0.22 H new ATOM 0 HB1 ALA A 39 10.518 0.990 5.479 1.00 0.23 H new ATOM 0 HB2 ALA A 39 9.118 1.500 6.453 1.00 0.23 H new ATOM 0 HB3 ALA A 39 8.942 1.261 4.698 1.00 0.23 H new ATOM 577 N VAL A 40 11.865 2.762 3.742 1.00 0.15 N ATOM 578 CA VAL A 40 12.547 2.865 2.418 1.00 0.13 C ATOM 579 C VAL A 40 12.399 1.524 1.711 1.00 0.13 C ATOM 580 O VAL A 40 12.427 0.480 2.333 1.00 0.18 O ATOM 581 CB VAL A 40 14.033 3.192 2.616 1.00 0.12 C ATOM 582 CG1 VAL A 40 14.805 2.916 1.321 1.00 0.12 C ATOM 583 CG2 VAL A 40 14.177 4.671 2.972 1.00 0.16 C ATOM 0 H VAL A 40 12.415 2.324 4.481 1.00 0.15 H new ATOM 0 HA VAL A 40 12.099 3.660 1.822 1.00 0.13 H new ATOM 0 HB VAL A 40 14.434 2.571 3.417 1.00 0.12 H new ATOM 0 HG11 VAL A 40 15.859 3.150 1.469 1.00 0.12 H new ATOM 0 HG12 VAL A 40 14.701 1.865 1.053 1.00 0.12 H new ATOM 0 HG13 VAL A 40 14.404 3.536 0.519 1.00 0.12 H new ATOM 0 HG21 VAL A 40 15.231 4.910 3.114 1.00 0.16 H new ATOM 0 HG22 VAL A 40 13.772 5.281 2.164 1.00 0.16 H new ATOM 0 HG23 VAL A 40 13.631 4.879 3.892 1.00 0.16 H new ATOM 593 N VAL A 41 12.227 1.549 0.418 1.00 0.15 N ATOM 594 CA VAL A 41 12.058 0.280 -0.358 1.00 0.16 C ATOM 595 C VAL A 41 13.167 0.167 -1.406 1.00 0.16 C ATOM 596 O VAL A 41 13.291 0.994 -2.281 1.00 0.18 O ATOM 597 CB VAL A 41 10.689 0.297 -1.043 1.00 0.21 C ATOM 598 CG1 VAL A 41 10.304 -1.119 -1.463 1.00 0.25 C ATOM 599 CG2 VAL A 41 9.639 0.833 -0.063 1.00 0.23 C ATOM 0 H VAL A 41 12.196 2.401 -0.142 1.00 0.15 H new ATOM 0 HA VAL A 41 12.120 -0.577 0.313 1.00 0.16 H new ATOM 0 HB VAL A 41 10.736 0.937 -1.924 1.00 0.21 H new ATOM 0 HG11 VAL A 41 9.329 -1.102 -1.950 1.00 0.25 H new ATOM 0 HG12 VAL A 41 11.049 -1.508 -2.157 1.00 0.25 H new ATOM 0 HG13 VAL A 41 10.258 -1.760 -0.583 1.00 0.25 H new ATOM 0 HG21 VAL A 41 8.663 0.847 -0.547 1.00 0.23 H new ATOM 0 HG22 VAL A 41 9.599 0.189 0.816 1.00 0.23 H new ATOM 0 HG23 VAL A 41 9.908 1.845 0.240 1.00 0.23 H new ATOM 609 N PHE A 42 13.987 -0.847 -1.321 1.00 0.15 N ATOM 610 CA PHE A 42 15.097 -0.996 -2.312 1.00 0.17 C ATOM 611 C PHE A 42 14.627 -1.819 -3.513 1.00 0.21 C ATOM 612 O PHE A 42 14.017 -2.859 -3.370 1.00 0.23 O ATOM 613 CB PHE A 42 16.281 -1.712 -1.650 1.00 0.16 C ATOM 614 CG PHE A 42 17.016 -0.758 -0.735 1.00 0.14 C ATOM 615 CD1 PHE A 42 17.674 0.368 -1.273 1.00 0.14 C ATOM 616 CD2 PHE A 42 17.053 -0.995 0.653 1.00 0.13 C ATOM 617 CE1 PHE A 42 18.364 1.252 -0.423 1.00 0.14 C ATOM 618 CE2 PHE A 42 17.744 -0.111 1.501 1.00 0.14 C ATOM 619 CZ PHE A 42 18.400 1.013 0.963 1.00 0.14 C ATOM 0 H PHE A 42 13.938 -1.578 -0.611 1.00 0.15 H new ATOM 0 HA PHE A 42 15.401 -0.005 -2.650 1.00 0.17 H new ATOM 0 HB2 PHE A 42 15.925 -2.572 -1.082 1.00 0.16 H new ATOM 0 HB3 PHE A 42 16.960 -2.092 -2.413 1.00 0.16 H new ATOM 0 HD1 PHE A 42 17.648 0.551 -2.337 1.00 0.14 H new ATOM 0 HD2 PHE A 42 16.550 -1.857 1.067 1.00 0.13 H new ATOM 0 HE1 PHE A 42 18.866 2.115 -0.835 1.00 0.14 H new ATOM 0 HE2 PHE A 42 17.772 -0.294 2.565 1.00 0.14 H new ATOM 0 HZ PHE A 42 18.931 1.692 1.614 1.00 0.14 H new ATOM 629 N GLN A 43 14.939 -1.368 -4.700 1.00 0.24 N ATOM 630 CA GLN A 43 14.551 -2.120 -5.931 1.00 0.28 C ATOM 631 C GLN A 43 15.754 -2.972 -6.342 1.00 0.30 C ATOM 632 O GLN A 43 16.838 -2.454 -6.539 1.00 0.30 O ATOM 633 CB GLN A 43 14.203 -1.120 -7.036 1.00 0.32 C ATOM 634 CG GLN A 43 12.952 -0.333 -6.639 1.00 0.32 C ATOM 635 CD GLN A 43 12.814 0.894 -7.542 1.00 0.58 C ATOM 636 OE1 GLN A 43 13.411 1.920 -7.287 1.00 1.29 O ATOM 637 NE2 GLN A 43 12.046 0.831 -8.595 1.00 1.31 N ATOM 0 H GLN A 43 15.451 -0.503 -4.871 1.00 0.24 H new ATOM 0 HA GLN A 43 13.684 -2.756 -5.755 1.00 0.28 H new ATOM 0 HB2 GLN A 43 15.037 -0.438 -7.200 1.00 0.32 H new ATOM 0 HB3 GLN A 43 14.032 -1.645 -7.976 1.00 0.32 H new ATOM 0 HG2 GLN A 43 12.068 -0.965 -6.728 1.00 0.32 H new ATOM 0 HG3 GLN A 43 13.019 -0.024 -5.596 1.00 0.32 H new ATOM 0 HE21 GLN A 43 11.544 -0.031 -8.810 1.00 1.31 H new ATOM 0 HE22 GLN A 43 11.947 1.644 -9.204 1.00 1.31 H new ATOM 646 N THR A 44 15.597 -4.280 -6.427 1.00 0.32 N ATOM 647 CA THR A 44 16.781 -5.148 -6.767 1.00 0.34 C ATOM 648 C THR A 44 16.796 -5.544 -8.243 1.00 0.39 C ATOM 649 O THR A 44 16.256 -4.867 -9.096 1.00 0.41 O ATOM 650 CB THR A 44 16.735 -6.423 -5.927 1.00 0.34 C ATOM 651 OG1 THR A 44 15.850 -7.347 -6.535 1.00 0.38 O ATOM 652 CG2 THR A 44 16.243 -6.087 -4.518 1.00 0.29 C ATOM 0 H THR A 44 14.718 -4.776 -6.279 1.00 0.32 H new ATOM 0 HA THR A 44 17.680 -4.570 -6.555 1.00 0.34 H new ATOM 0 HB THR A 44 17.731 -6.860 -5.864 1.00 0.34 H new ATOM 0 HG1 THR A 44 16.212 -8.253 -6.446 1.00 0.38 H new ATOM 0 HG21 THR A 44 16.210 -6.996 -3.918 1.00 0.29 H new ATOM 0 HG22 THR A 44 16.923 -5.372 -4.056 1.00 0.29 H new ATOM 0 HG23 THR A 44 15.245 -5.653 -4.575 1.00 0.29 H new ATOM 660 N LYS A 45 17.445 -6.647 -8.537 1.00 0.43 N ATOM 661 CA LYS A 45 17.557 -7.138 -9.945 1.00 0.48 C ATOM 662 C LYS A 45 16.801 -8.460 -10.105 1.00 0.51 C ATOM 663 O LYS A 45 16.329 -8.783 -11.178 1.00 0.56 O ATOM 664 CB LYS A 45 19.030 -7.386 -10.267 1.00 0.50 C ATOM 665 CG LYS A 45 19.855 -6.158 -9.888 1.00 0.46 C ATOM 666 CD LYS A 45 21.338 -6.439 -10.154 1.00 0.49 C ATOM 667 CE LYS A 45 22.100 -5.118 -10.233 1.00 0.54 C ATOM 668 NZ LYS A 45 21.993 -4.403 -8.930 1.00 1.55 N ATOM 0 H LYS A 45 17.909 -7.237 -7.846 1.00 0.43 H new ATOM 0 HA LYS A 45 17.133 -6.391 -10.616 1.00 0.48 H new ATOM 0 HB2 LYS A 45 19.389 -8.259 -9.722 1.00 0.50 H new ATOM 0 HB3 LYS A 45 19.149 -7.602 -11.329 1.00 0.50 H new ATOM 0 HG2 LYS A 45 19.528 -5.294 -10.466 1.00 0.46 H new ATOM 0 HG3 LYS A 45 19.703 -5.914 -8.837 1.00 0.46 H new ATOM 0 HD2 LYS A 45 21.749 -7.062 -9.359 1.00 0.49 H new ATOM 0 HD3 LYS A 45 21.453 -6.994 -11.085 1.00 0.49 H new ATOM 0 HE2 LYS A 45 23.147 -5.304 -10.473 1.00 0.54 H new ATOM 0 HE3 LYS A 45 21.694 -4.499 -11.034 1.00 0.54 H new ATOM 0 HZ1 LYS A 45 21.646 -3.436 -9.092 1.00 1.55 H new ATOM 0 HZ2 LYS A 45 21.329 -4.909 -8.310 1.00 1.55 H new ATOM 0 HZ3 LYS A 45 22.929 -4.364 -8.478 1.00 1.55 H new ATOM 682 N ARG A 46 16.698 -9.237 -9.048 1.00 0.50 N ATOM 683 CA ARG A 46 15.990 -10.560 -9.130 1.00 0.54 C ATOM 684 C ARG A 46 14.815 -10.549 -8.149 1.00 0.49 C ATOM 685 O ARG A 46 14.604 -11.471 -7.392 1.00 0.48 O ATOM 686 CB ARG A 46 16.983 -11.686 -8.772 1.00 0.59 C ATOM 687 CG ARG A 46 16.520 -13.052 -9.341 1.00 0.72 C ATOM 688 CD ARG A 46 15.494 -13.736 -8.418 1.00 0.92 C ATOM 689 NE ARG A 46 15.613 -15.223 -8.557 1.00 1.48 N ATOM 690 CZ ARG A 46 15.601 -15.798 -9.731 1.00 2.13 C ATOM 691 NH1 ARG A 46 15.277 -15.122 -10.799 1.00 2.62 N ATOM 692 NH2 ARG A 46 15.853 -17.076 -9.826 1.00 2.82 N ATOM 0 H ARG A 46 17.076 -9.010 -8.128 1.00 0.50 H new ATOM 0 HA ARG A 46 15.613 -10.732 -10.138 1.00 0.54 H new ATOM 0 HB2 ARG A 46 17.970 -11.442 -9.166 1.00 0.59 H new ATOM 0 HB3 ARG A 46 17.081 -11.756 -7.689 1.00 0.59 H new ATOM 0 HG2 ARG A 46 16.081 -12.905 -10.328 1.00 0.72 H new ATOM 0 HG3 ARG A 46 17.384 -13.704 -9.471 1.00 0.72 H new ATOM 0 HD2 ARG A 46 15.667 -13.442 -7.383 1.00 0.92 H new ATOM 0 HD3 ARG A 46 14.485 -13.415 -8.677 1.00 0.92 H new ATOM 0 HE ARG A 46 15.705 -15.798 -7.719 1.00 1.48 H new ATOM 0 HH11 ARG A 46 15.030 -14.135 -10.723 1.00 2.62 H new ATOM 0 HH12 ARG A 46 15.271 -15.580 -11.710 1.00 2.62 H new ATOM 0 HH21 ARG A 46 16.058 -17.619 -8.987 1.00 2.82 H new ATOM 0 HH22 ARG A 46 15.845 -17.531 -10.739 1.00 2.82 H new ATOM 706 N SER A 47 14.044 -9.506 -8.169 1.00 0.46 N ATOM 707 CA SER A 47 12.875 -9.420 -7.266 1.00 0.42 C ATOM 708 C SER A 47 12.006 -8.263 -7.738 1.00 0.42 C ATOM 709 O SER A 47 11.532 -8.245 -8.857 1.00 0.46 O ATOM 710 CB SER A 47 13.333 -9.198 -5.818 1.00 0.38 C ATOM 711 OG SER A 47 13.796 -7.867 -5.656 1.00 1.07 O ATOM 0 H SER A 47 14.176 -8.700 -8.780 1.00 0.46 H new ATOM 0 HA SER A 47 12.307 -10.350 -7.291 1.00 0.42 H new ATOM 0 HB2 SER A 47 12.508 -9.391 -5.133 1.00 0.38 H new ATOM 0 HB3 SER A 47 14.127 -9.901 -5.567 1.00 0.38 H new ATOM 0 HG SER A 47 14.686 -7.779 -6.058 1.00 1.07 H new ATOM 717 N LYS A 48 11.807 -7.296 -6.910 1.00 0.38 N ATOM 718 CA LYS A 48 10.992 -6.132 -7.304 1.00 0.40 C ATOM 719 C LYS A 48 11.319 -4.994 -6.347 1.00 0.35 C ATOM 720 O LYS A 48 12.087 -4.106 -6.659 1.00 0.34 O ATOM 721 CB LYS A 48 9.503 -6.496 -7.234 1.00 0.44 C ATOM 722 CG LYS A 48 8.696 -5.492 -8.053 1.00 1.11 C ATOM 723 CD LYS A 48 7.208 -5.634 -7.722 1.00 1.38 C ATOM 724 CE LYS A 48 6.771 -7.084 -7.944 1.00 2.13 C ATOM 725 NZ LYS A 48 7.395 -7.606 -9.193 1.00 2.73 N ATOM 0 H LYS A 48 12.180 -7.260 -5.961 1.00 0.38 H new ATOM 0 HA LYS A 48 11.213 -5.829 -8.327 1.00 0.40 H new ATOM 0 HB2 LYS A 48 9.346 -7.504 -7.617 1.00 0.44 H new ATOM 0 HB3 LYS A 48 9.165 -6.492 -6.198 1.00 0.44 H new ATOM 0 HG2 LYS A 48 9.032 -4.478 -7.836 1.00 1.11 H new ATOM 0 HG3 LYS A 48 8.860 -5.661 -9.117 1.00 1.11 H new ATOM 0 HD2 LYS A 48 7.025 -5.342 -6.688 1.00 1.38 H new ATOM 0 HD3 LYS A 48 6.619 -4.965 -8.350 1.00 1.38 H new ATOM 0 HE2 LYS A 48 7.066 -7.698 -7.093 1.00 2.13 H new ATOM 0 HE3 LYS A 48 5.685 -7.141 -8.016 1.00 2.13 H new ATOM 0 HZ1 LYS A 48 6.831 -8.401 -9.557 1.00 2.73 H new ATOM 0 HZ2 LYS A 48 7.429 -6.850 -9.906 1.00 2.73 H new ATOM 0 HZ3 LYS A 48 8.361 -7.932 -8.988 1.00 2.73 H new ATOM 739 N GLN A 49 10.764 -5.040 -5.166 1.00 0.33 N ATOM 740 CA GLN A 49 11.039 -3.987 -4.149 1.00 0.30 C ATOM 741 C GLN A 49 11.121 -4.660 -2.771 1.00 0.25 C ATOM 742 O GLN A 49 10.450 -5.642 -2.508 1.00 0.26 O ATOM 743 CB GLN A 49 9.914 -2.920 -4.174 1.00 0.35 C ATOM 744 CG GLN A 49 9.127 -3.008 -5.486 1.00 0.82 C ATOM 745 CD GLN A 49 8.058 -1.915 -5.512 1.00 0.89 C ATOM 746 OE1 GLN A 49 8.235 -0.862 -4.931 1.00 1.53 O ATOM 747 NE2 GLN A 49 6.947 -2.119 -6.167 1.00 1.52 N ATOM 0 H GLN A 49 10.124 -5.772 -4.860 1.00 0.33 H new ATOM 0 HA GLN A 49 11.981 -3.484 -4.367 1.00 0.30 H new ATOM 0 HB2 GLN A 49 9.243 -3.070 -3.328 1.00 0.35 H new ATOM 0 HB3 GLN A 49 10.345 -1.925 -4.067 1.00 0.35 H new ATOM 0 HG2 GLN A 49 9.801 -2.893 -6.335 1.00 0.82 H new ATOM 0 HG3 GLN A 49 8.662 -3.989 -5.579 1.00 0.82 H new ATOM 0 HE21 GLN A 49 6.797 -3.002 -6.655 1.00 1.52 H new ATOM 0 HE22 GLN A 49 6.229 -1.395 -6.191 1.00 1.52 H new ATOM 756 N VAL A 50 11.948 -4.147 -1.897 1.00 0.23 N ATOM 757 CA VAL A 50 12.093 -4.754 -0.536 1.00 0.19 C ATOM 758 C VAL A 50 12.081 -3.645 0.509 1.00 0.16 C ATOM 759 O VAL A 50 12.842 -2.706 0.433 1.00 0.15 O ATOM 760 CB VAL A 50 13.420 -5.516 -0.464 1.00 0.22 C ATOM 761 CG1 VAL A 50 13.424 -6.417 0.773 1.00 0.24 C ATOM 762 CG2 VAL A 50 13.588 -6.370 -1.730 1.00 0.31 C ATOM 0 H VAL A 50 12.533 -3.329 -2.067 1.00 0.23 H new ATOM 0 HA VAL A 50 11.269 -5.442 -0.345 1.00 0.19 H new ATOM 0 HB VAL A 50 14.246 -4.808 -0.395 1.00 0.22 H new ATOM 0 HG11 VAL A 50 14.368 -6.960 0.825 1.00 0.24 H new ATOM 0 HG12 VAL A 50 13.307 -5.806 1.668 1.00 0.24 H new ATOM 0 HG13 VAL A 50 12.600 -7.128 0.708 1.00 0.24 H new ATOM 0 HG21 VAL A 50 14.532 -6.913 -1.680 1.00 0.31 H new ATOM 0 HG22 VAL A 50 12.764 -7.080 -1.802 1.00 0.31 H new ATOM 0 HG23 VAL A 50 13.587 -5.724 -2.608 1.00 0.31 H new ATOM 772 N CYS A 51 11.225 -3.749 1.487 1.00 0.16 N ATOM 773 CA CYS A 51 11.153 -2.695 2.534 1.00 0.15 C ATOM 774 C CYS A 51 12.381 -2.789 3.437 1.00 0.14 C ATOM 775 O CYS A 51 12.962 -3.842 3.610 1.00 0.16 O ATOM 776 CB CYS A 51 9.888 -2.905 3.367 1.00 0.17 C ATOM 777 SG CYS A 51 8.429 -2.695 2.313 1.00 0.21 S ATOM 0 H CYS A 51 10.570 -4.522 1.606 1.00 0.16 H new ATOM 0 HA CYS A 51 11.126 -1.711 2.066 1.00 0.15 H new ATOM 0 HB2 CYS A 51 9.891 -3.902 3.808 1.00 0.17 H new ATOM 0 HB3 CYS A 51 9.860 -2.192 4.191 1.00 0.17 H new ATOM 782 N ALA A 52 12.791 -1.684 4.006 1.00 0.12 N ATOM 783 CA ALA A 52 13.995 -1.693 4.891 1.00 0.13 C ATOM 784 C ALA A 52 13.790 -0.712 6.046 1.00 0.15 C ATOM 785 O ALA A 52 13.322 0.395 5.859 1.00 0.15 O ATOM 786 CB ALA A 52 15.219 -1.263 4.080 1.00 0.11 C ATOM 0 H ALA A 52 12.343 -0.774 3.896 1.00 0.12 H new ATOM 0 HA ALA A 52 14.146 -2.697 5.288 1.00 0.13 H new ATOM 0 HB1 ALA A 52 16.100 -1.268 4.721 1.00 0.11 H new ATOM 0 HB2 ALA A 52 15.369 -1.956 3.252 1.00 0.11 H new ATOM 0 HB3 ALA A 52 15.061 -0.258 3.688 1.00 0.11 H new ATOM 792 N ASP A 53 14.143 -1.111 7.238 1.00 0.18 N ATOM 793 CA ASP A 53 13.978 -0.210 8.413 1.00 0.22 C ATOM 794 C ASP A 53 14.970 0.973 8.292 1.00 0.21 C ATOM 795 O ASP A 53 16.163 0.741 8.305 1.00 0.22 O ATOM 796 CB ASP A 53 14.302 -0.997 9.685 1.00 0.27 C ATOM 797 CG ASP A 53 13.188 -2.011 9.956 1.00 1.35 C ATOM 798 OD1 ASP A 53 12.224 -1.642 10.606 1.00 2.17 O ATOM 799 OD2 ASP A 53 13.318 -3.138 9.508 1.00 2.10 O ATOM 0 H ASP A 53 14.540 -2.027 7.449 1.00 0.18 H new ATOM 0 HA ASP A 53 12.956 0.167 8.451 1.00 0.22 H new ATOM 0 HB2 ASP A 53 15.257 -1.511 9.574 1.00 0.27 H new ATOM 0 HB3 ASP A 53 14.403 -0.317 10.531 1.00 0.27 H new ATOM 804 N PRO A 54 14.492 2.207 8.175 1.00 0.22 N ATOM 805 CA PRO A 54 15.411 3.361 8.057 1.00 0.24 C ATOM 806 C PRO A 54 16.303 3.454 9.304 1.00 0.28 C ATOM 807 O PRO A 54 17.207 4.263 9.374 1.00 0.30 O ATOM 808 CB PRO A 54 14.492 4.599 7.939 1.00 0.27 C ATOM 809 CG PRO A 54 13.020 4.097 7.972 1.00 0.27 C ATOM 810 CD PRO A 54 13.053 2.563 8.150 1.00 0.24 C ATOM 0 HA PRO A 54 16.078 3.275 7.199 1.00 0.24 H new ATOM 0 HB2 PRO A 54 14.678 5.294 8.758 1.00 0.27 H new ATOM 0 HB3 PRO A 54 14.692 5.138 7.013 1.00 0.27 H new ATOM 0 HG2 PRO A 54 12.474 4.566 8.791 1.00 0.27 H new ATOM 0 HG3 PRO A 54 12.504 4.364 7.050 1.00 0.27 H new ATOM 0 HD2 PRO A 54 12.557 2.263 9.073 1.00 0.24 H new ATOM 0 HD3 PRO A 54 12.537 2.060 7.332 1.00 0.24 H new ATOM 818 N SER A 55 16.044 2.645 10.289 1.00 0.31 N ATOM 819 CA SER A 55 16.861 2.698 11.535 1.00 0.36 C ATOM 820 C SER A 55 18.213 2.016 11.305 1.00 0.36 C ATOM 821 O SER A 55 19.153 2.225 12.045 1.00 0.40 O ATOM 822 CB SER A 55 16.116 1.982 12.661 1.00 0.40 C ATOM 823 OG SER A 55 15.740 0.683 12.224 1.00 1.42 O ATOM 0 H SER A 55 15.301 1.947 10.288 1.00 0.31 H new ATOM 0 HA SER A 55 17.029 3.740 11.808 1.00 0.36 H new ATOM 0 HB2 SER A 55 16.750 1.911 13.545 1.00 0.40 H new ATOM 0 HB3 SER A 55 15.232 2.552 12.948 1.00 0.40 H new ATOM 0 HG SER A 55 15.263 0.221 12.945 1.00 1.42 H new ATOM 829 N GLU A 56 18.325 1.207 10.286 1.00 0.33 N ATOM 830 CA GLU A 56 19.627 0.524 10.023 1.00 0.34 C ATOM 831 C GLU A 56 20.560 1.490 9.282 1.00 0.33 C ATOM 832 O GLU A 56 20.273 1.952 8.195 1.00 0.29 O ATOM 833 CB GLU A 56 19.390 -0.728 9.176 1.00 0.31 C ATOM 834 CG GLU A 56 18.891 -1.870 10.066 1.00 0.35 C ATOM 835 CD GLU A 56 18.351 -3.002 9.191 1.00 1.30 C ATOM 836 OE1 GLU A 56 17.463 -2.739 8.397 1.00 2.01 O ATOM 837 OE2 GLU A 56 18.835 -4.114 9.330 1.00 2.08 O ATOM 0 H GLU A 56 17.577 0.990 9.627 1.00 0.33 H new ATOM 0 HA GLU A 56 20.086 0.229 10.967 1.00 0.34 H new ATOM 0 HB2 GLU A 56 18.659 -0.517 8.395 1.00 0.31 H new ATOM 0 HB3 GLU A 56 20.314 -1.021 8.677 1.00 0.31 H new ATOM 0 HG2 GLU A 56 19.703 -2.237 10.694 1.00 0.35 H new ATOM 0 HG3 GLU A 56 18.110 -1.509 10.735 1.00 0.35 H new ATOM 844 N SER A 57 21.667 1.805 9.888 1.00 0.37 N ATOM 845 CA SER A 57 22.639 2.751 9.270 1.00 0.38 C ATOM 846 C SER A 57 22.958 2.363 7.824 1.00 0.35 C ATOM 847 O SER A 57 23.114 3.218 6.974 1.00 0.34 O ATOM 848 CB SER A 57 23.930 2.747 10.087 1.00 0.44 C ATOM 849 OG SER A 57 24.968 3.351 9.328 1.00 1.37 O ATOM 0 H SER A 57 21.946 1.443 10.800 1.00 0.37 H new ATOM 0 HA SER A 57 22.191 3.745 9.265 1.00 0.38 H new ATOM 0 HB2 SER A 57 23.784 3.289 11.021 1.00 0.44 H new ATOM 0 HB3 SER A 57 24.204 1.725 10.351 1.00 0.44 H new ATOM 0 HG SER A 57 25.797 3.351 9.850 1.00 1.37 H new ATOM 855 N TRP A 58 23.084 1.099 7.527 1.00 0.34 N ATOM 856 CA TRP A 58 23.423 0.718 6.127 1.00 0.32 C ATOM 857 C TRP A 58 22.321 1.190 5.185 1.00 0.27 C ATOM 858 O TRP A 58 22.572 1.535 4.050 1.00 0.27 O ATOM 859 CB TRP A 58 23.651 -0.795 6.008 1.00 0.34 C ATOM 860 CG TRP A 58 22.361 -1.556 6.000 1.00 0.31 C ATOM 861 CD1 TRP A 58 21.888 -2.284 7.039 1.00 0.32 C ATOM 862 CD2 TRP A 58 21.392 -1.712 4.920 1.00 0.27 C ATOM 863 NE1 TRP A 58 20.695 -2.876 6.668 1.00 0.29 N ATOM 864 CE2 TRP A 58 20.341 -2.551 5.376 1.00 0.26 C ATOM 865 CE3 TRP A 58 21.318 -1.210 3.598 1.00 0.27 C ATOM 866 CZ2 TRP A 58 19.254 -2.883 4.554 1.00 0.25 C ATOM 867 CZ3 TRP A 58 20.225 -1.542 2.767 1.00 0.27 C ATOM 868 CH2 TRP A 58 19.195 -2.376 3.247 1.00 0.26 C ATOM 0 H TRP A 58 22.969 0.325 8.181 1.00 0.34 H new ATOM 0 HA TRP A 58 24.355 1.207 5.843 1.00 0.32 H new ATOM 0 HB2 TRP A 58 24.204 -1.008 5.093 1.00 0.34 H new ATOM 0 HB3 TRP A 58 24.268 -1.136 6.839 1.00 0.34 H new ATOM 0 HD1 TRP A 58 22.366 -2.386 8.002 1.00 0.32 H new ATOM 0 HE1 TRP A 58 20.143 -3.480 7.277 1.00 0.29 H new ATOM 0 HE3 TRP A 58 22.102 -0.569 3.223 1.00 0.27 H new ATOM 0 HZ2 TRP A 58 18.468 -3.524 4.924 1.00 0.25 H new ATOM 0 HZ3 TRP A 58 20.178 -1.155 1.760 1.00 0.27 H new ATOM 0 HH2 TRP A 58 18.360 -2.625 2.609 1.00 0.26 H new ATOM 879 N VAL A 59 21.108 1.242 5.646 1.00 0.24 N ATOM 880 CA VAL A 59 20.018 1.722 4.758 1.00 0.20 C ATOM 881 C VAL A 59 20.293 3.179 4.415 1.00 0.22 C ATOM 882 O VAL A 59 20.200 3.589 3.277 1.00 0.21 O ATOM 883 CB VAL A 59 18.682 1.596 5.484 1.00 0.19 C ATOM 884 CG1 VAL A 59 17.558 2.150 4.604 1.00 0.18 C ATOM 885 CG2 VAL A 59 18.426 0.119 5.779 1.00 0.19 C ATOM 0 H VAL A 59 20.824 0.976 6.589 1.00 0.24 H new ATOM 0 HA VAL A 59 19.976 1.128 3.845 1.00 0.20 H new ATOM 0 HB VAL A 59 18.710 2.163 6.415 1.00 0.19 H new ATOM 0 HG11 VAL A 59 16.607 2.057 5.128 1.00 0.18 H new ATOM 0 HG12 VAL A 59 17.751 3.200 4.385 1.00 0.18 H new ATOM 0 HG13 VAL A 59 17.515 1.587 3.671 1.00 0.18 H new ATOM 0 HG21 VAL A 59 17.474 0.011 6.298 1.00 0.19 H new ATOM 0 HG22 VAL A 59 18.394 -0.439 4.843 1.00 0.19 H new ATOM 0 HG23 VAL A 59 19.228 -0.271 6.406 1.00 0.19 H new ATOM 895 N GLN A 60 20.659 3.959 5.389 1.00 0.25 N ATOM 896 CA GLN A 60 20.969 5.387 5.105 1.00 0.28 C ATOM 897 C GLN A 60 22.208 5.458 4.207 1.00 0.30 C ATOM 898 O GLN A 60 22.315 6.303 3.340 1.00 0.31 O ATOM 899 CB GLN A 60 21.243 6.126 6.417 1.00 0.33 C ATOM 900 CG GLN A 60 21.437 7.618 6.134 1.00 1.25 C ATOM 901 CD GLN A 60 21.727 8.354 7.443 1.00 1.65 C ATOM 902 OE1 GLN A 60 22.863 8.669 7.736 1.00 2.33 O ATOM 903 NE2 GLN A 60 20.742 8.642 8.248 1.00 2.14 N ATOM 0 H GLN A 60 20.757 3.674 6.363 1.00 0.25 H new ATOM 0 HA GLN A 60 20.122 5.854 4.603 1.00 0.28 H new ATOM 0 HB2 GLN A 60 20.413 5.981 7.108 1.00 0.33 H new ATOM 0 HB3 GLN A 60 22.132 5.718 6.897 1.00 0.33 H new ATOM 0 HG2 GLN A 60 22.260 7.762 5.434 1.00 1.25 H new ATOM 0 HG3 GLN A 60 20.543 8.029 5.664 1.00 1.25 H new ATOM 0 HE21 GLN A 60 19.788 8.377 8.002 1.00 2.14 H new ATOM 0 HE22 GLN A 60 20.926 9.132 9.124 1.00 2.14 H new ATOM 912 N GLU A 61 23.146 4.572 4.413 1.00 0.31 N ATOM 913 CA GLU A 61 24.385 4.575 3.582 1.00 0.33 C ATOM 914 C GLU A 61 24.045 4.237 2.128 1.00 0.31 C ATOM 915 O GLU A 61 24.418 4.945 1.213 1.00 0.32 O ATOM 916 CB GLU A 61 25.366 3.535 4.129 1.00 0.35 C ATOM 917 CG GLU A 61 26.739 3.741 3.487 1.00 0.40 C ATOM 918 CD GLU A 61 27.742 2.762 4.103 1.00 1.29 C ATOM 919 OE1 GLU A 61 27.586 1.572 3.886 1.00 1.99 O ATOM 920 OE2 GLU A 61 28.647 3.220 4.780 1.00 2.03 O ATOM 0 H GLU A 61 23.107 3.843 5.125 1.00 0.31 H new ATOM 0 HA GLU A 61 24.837 5.566 3.621 1.00 0.33 H new ATOM 0 HB2 GLU A 61 25.442 3.626 5.213 1.00 0.35 H new ATOM 0 HB3 GLU A 61 25.001 2.530 3.918 1.00 0.35 H new ATOM 0 HG2 GLU A 61 26.676 3.584 2.410 1.00 0.40 H new ATOM 0 HG3 GLU A 61 27.074 4.767 3.641 1.00 0.40 H new ATOM 927 N TYR A 62 23.345 3.160 1.908 1.00 0.28 N ATOM 928 CA TYR A 62 22.988 2.774 0.511 1.00 0.28 C ATOM 929 C TYR A 62 22.137 3.878 -0.126 1.00 0.28 C ATOM 930 O TYR A 62 22.253 4.155 -1.303 1.00 0.30 O ATOM 931 CB TYR A 62 22.197 1.455 0.524 1.00 0.25 C ATOM 932 CG TYR A 62 23.141 0.269 0.615 1.00 0.27 C ATOM 933 CD1 TYR A 62 24.068 0.172 1.673 1.00 0.29 C ATOM 934 CD2 TYR A 62 23.086 -0.748 -0.362 1.00 0.27 C ATOM 935 CE1 TYR A 62 24.936 -0.935 1.753 1.00 0.32 C ATOM 936 CE2 TYR A 62 23.954 -1.853 -0.282 1.00 0.29 C ATOM 937 CZ TYR A 62 24.878 -1.947 0.775 1.00 0.31 C ATOM 938 OH TYR A 62 25.729 -3.031 0.851 1.00 0.34 O ATOM 0 H TYR A 62 23.004 2.529 2.633 1.00 0.28 H new ATOM 0 HA TYR A 62 23.901 2.641 -0.070 1.00 0.28 H new ATOM 0 HB2 TYR A 62 21.509 1.445 1.369 1.00 0.25 H new ATOM 0 HB3 TYR A 62 21.593 1.378 -0.380 1.00 0.25 H new ATOM 0 HD1 TYR A 62 24.113 0.948 2.423 1.00 0.29 H new ATOM 0 HD2 TYR A 62 22.376 -0.678 -1.173 1.00 0.27 H new ATOM 0 HE1 TYR A 62 25.646 -1.008 2.564 1.00 0.32 H new ATOM 0 HE2 TYR A 62 23.911 -2.629 -1.032 1.00 0.29 H new ATOM 0 HH TYR A 62 25.557 -3.636 0.099 1.00 0.34 H new ATOM 948 N VAL A 63 21.293 4.515 0.635 1.00 0.27 N ATOM 949 CA VAL A 63 20.457 5.599 0.058 1.00 0.28 C ATOM 950 C VAL A 63 21.378 6.736 -0.359 1.00 0.32 C ATOM 951 O VAL A 63 21.201 7.352 -1.389 1.00 0.34 O ATOM 952 CB VAL A 63 19.461 6.092 1.112 1.00 0.28 C ATOM 953 CG1 VAL A 63 18.783 7.379 0.630 1.00 0.32 C ATOM 954 CG2 VAL A 63 18.396 5.015 1.348 1.00 0.25 C ATOM 0 H VAL A 63 21.147 4.332 1.628 1.00 0.27 H new ATOM 0 HA VAL A 63 19.900 5.234 -0.805 1.00 0.28 H new ATOM 0 HB VAL A 63 19.994 6.294 2.041 1.00 0.28 H new ATOM 0 HG11 VAL A 63 18.076 7.723 1.385 1.00 0.32 H new ATOM 0 HG12 VAL A 63 19.538 8.147 0.463 1.00 0.32 H new ATOM 0 HG13 VAL A 63 18.252 7.184 -0.302 1.00 0.32 H new ATOM 0 HG21 VAL A 63 17.686 5.364 2.098 1.00 0.25 H new ATOM 0 HG22 VAL A 63 17.869 4.814 0.415 1.00 0.25 H new ATOM 0 HG23 VAL A 63 18.875 4.101 1.699 1.00 0.25 H new ATOM 964 N TYR A 64 22.367 7.009 0.439 1.00 0.34 N ATOM 965 CA TYR A 64 23.312 8.101 0.102 1.00 0.38 C ATOM 966 C TYR A 64 24.024 7.758 -1.204 1.00 0.38 C ATOM 967 O TYR A 64 24.201 8.590 -2.070 1.00 0.41 O ATOM 968 CB TYR A 64 24.342 8.240 1.227 1.00 0.41 C ATOM 969 CG TYR A 64 25.020 9.587 1.138 1.00 0.46 C ATOM 970 CD1 TYR A 64 24.350 10.744 1.583 1.00 0.48 C ATOM 971 CD2 TYR A 64 26.323 9.689 0.610 1.00 0.49 C ATOM 972 CE1 TYR A 64 24.981 12.000 1.500 1.00 0.52 C ATOM 973 CE2 TYR A 64 26.953 10.945 0.527 1.00 0.54 C ATOM 974 CZ TYR A 64 26.283 12.100 0.972 1.00 0.55 C ATOM 975 OH TYR A 64 26.901 13.331 0.890 1.00 0.60 O ATOM 0 H TYR A 64 22.562 6.521 1.313 1.00 0.34 H new ATOM 0 HA TYR A 64 22.771 9.040 -0.013 1.00 0.38 H new ATOM 0 HB2 TYR A 64 23.853 8.132 2.195 1.00 0.41 H new ATOM 0 HB3 TYR A 64 25.083 7.444 1.154 1.00 0.41 H new ATOM 0 HD1 TYR A 64 23.352 10.667 1.988 1.00 0.48 H new ATOM 0 HD2 TYR A 64 26.838 8.803 0.269 1.00 0.49 H new ATOM 0 HE1 TYR A 64 24.467 12.886 1.841 1.00 0.52 H new ATOM 0 HE2 TYR A 64 27.951 11.022 0.122 1.00 0.54 H new ATOM 0 HH TYR A 64 27.795 13.223 0.503 1.00 0.60 H new ATOM 985 N ASP A 65 24.430 6.531 -1.344 1.00 0.36 N ATOM 986 CA ASP A 65 25.136 6.109 -2.585 1.00 0.37 C ATOM 987 C ASP A 65 24.203 6.283 -3.787 1.00 0.37 C ATOM 988 O ASP A 65 24.629 6.612 -4.876 1.00 0.40 O ATOM 989 CB ASP A 65 25.539 4.637 -2.455 1.00 0.35 C ATOM 990 CG ASP A 65 26.801 4.520 -1.594 1.00 0.39 C ATOM 991 OD1 ASP A 65 27.056 5.432 -0.824 1.00 1.11 O ATOM 992 OD2 ASP A 65 27.489 3.521 -1.719 1.00 1.15 O ATOM 0 H ASP A 65 24.303 5.796 -0.648 1.00 0.36 H new ATOM 0 HA ASP A 65 26.026 6.721 -2.730 1.00 0.37 H new ATOM 0 HB2 ASP A 65 24.727 4.066 -2.006 1.00 0.35 H new ATOM 0 HB3 ASP A 65 25.720 4.211 -3.442 1.00 0.35 H new ATOM 997 N LEU A 66 22.935 6.061 -3.593 1.00 0.33 N ATOM 998 CA LEU A 66 21.966 6.209 -4.715 1.00 0.34 C ATOM 999 C LEU A 66 21.785 7.695 -5.041 1.00 0.39 C ATOM 1000 O LEU A 66 21.533 8.066 -6.170 1.00 0.42 O ATOM 1001 CB LEU A 66 20.624 5.597 -4.291 1.00 0.31 C ATOM 1002 CG LEU A 66 20.661 4.063 -4.456 1.00 0.28 C ATOM 1003 CD1 LEU A 66 19.592 3.424 -3.566 1.00 0.24 C ATOM 1004 CD2 LEU A 66 20.374 3.675 -5.917 1.00 0.30 C ATOM 0 H LEU A 66 22.525 5.782 -2.702 1.00 0.33 H new ATOM 0 HA LEU A 66 22.338 5.696 -5.602 1.00 0.34 H new ATOM 0 HB2 LEU A 66 20.411 5.853 -3.253 1.00 0.31 H new ATOM 0 HB3 LEU A 66 19.818 6.016 -4.894 1.00 0.31 H new ATOM 0 HG LEU A 66 21.652 3.709 -4.171 1.00 0.28 H new ATOM 0 HD11 LEU A 66 19.620 2.341 -3.684 1.00 0.24 H new ATOM 0 HD12 LEU A 66 19.785 3.680 -2.524 1.00 0.24 H new ATOM 0 HD13 LEU A 66 18.609 3.795 -3.855 1.00 0.24 H new ATOM 0 HD21 LEU A 66 20.404 2.590 -6.018 1.00 0.30 H new ATOM 0 HD22 LEU A 66 19.387 4.039 -6.203 1.00 0.30 H new ATOM 0 HD23 LEU A 66 21.128 4.120 -6.566 1.00 0.30 H new ATOM 1016 N GLU A 67 21.917 8.544 -4.064 1.00 0.40 N ATOM 1017 CA GLU A 67 21.759 10.005 -4.318 1.00 0.45 C ATOM 1018 C GLU A 67 22.978 10.513 -5.085 1.00 0.50 C ATOM 1019 O GLU A 67 22.910 11.478 -5.818 1.00 0.55 O ATOM 1020 CB GLU A 67 21.660 10.745 -2.985 1.00 0.46 C ATOM 1021 CG GLU A 67 20.314 10.434 -2.335 1.00 0.44 C ATOM 1022 CD GLU A 67 20.133 11.301 -1.088 1.00 1.13 C ATOM 1023 OE1 GLU A 67 20.810 12.312 -0.991 1.00 1.81 O ATOM 1024 OE2 GLU A 67 19.323 10.940 -0.252 1.00 1.88 O ATOM 0 H GLU A 67 22.128 8.292 -3.098 1.00 0.40 H new ATOM 0 HA GLU A 67 20.855 10.180 -4.901 1.00 0.45 H new ATOM 0 HB2 GLU A 67 22.474 10.442 -2.326 1.00 0.46 H new ATOM 0 HB3 GLU A 67 21.761 11.819 -3.143 1.00 0.46 H new ATOM 0 HG2 GLU A 67 19.506 10.622 -3.041 1.00 0.44 H new ATOM 0 HG3 GLU A 67 20.264 9.379 -2.067 1.00 0.44 H new ATOM 1031 N LEU A 68 24.093 9.863 -4.919 1.00 0.49 N ATOM 1032 CA LEU A 68 25.324 10.296 -5.638 1.00 0.54 C ATOM 1033 C LEU A 68 25.248 9.844 -7.097 1.00 0.56 C ATOM 1034 O LEU A 68 24.777 10.562 -7.956 1.00 0.62 O ATOM 1035 CB LEU A 68 26.552 9.672 -4.980 1.00 0.55 C ATOM 1036 CG LEU A 68 26.713 10.213 -3.555 1.00 0.55 C ATOM 1037 CD1 LEU A 68 27.871 9.481 -2.887 1.00 0.56 C ATOM 1038 CD2 LEU A 68 27.004 11.729 -3.579 1.00 0.61 C ATOM 0 H LEU A 68 24.207 9.049 -4.316 1.00 0.49 H new ATOM 0 HA LEU A 68 25.402 11.382 -5.594 1.00 0.54 H new ATOM 0 HB2 LEU A 68 26.451 8.587 -4.957 1.00 0.55 H new ATOM 0 HB3 LEU A 68 27.443 9.897 -5.566 1.00 0.55 H new ATOM 0 HG LEU A 68 25.789 10.050 -3.000 1.00 0.55 H new ATOM 0 HD11 LEU A 68 28.000 9.854 -1.871 1.00 0.56 H new ATOM 0 HD12 LEU A 68 27.657 8.413 -2.857 1.00 0.56 H new ATOM 0 HD13 LEU A 68 28.786 9.652 -3.455 1.00 0.56 H new ATOM 0 HD21 LEU A 68 27.115 12.094 -2.558 1.00 0.61 H new ATOM 0 HD22 LEU A 68 27.924 11.914 -4.133 1.00 0.61 H new ATOM 0 HD23 LEU A 68 26.178 12.250 -4.063 1.00 0.61 H new ATOM 1050 N ASN A 69 25.711 8.657 -7.385 1.00 0.61 N ATOM 1051 CA ASN A 69 25.669 8.152 -8.789 1.00 0.64 C ATOM 1052 C ASN A 69 24.340 7.433 -9.032 1.00 0.70 C ATOM 1053 O ASN A 69 24.015 7.206 -10.186 1.00 1.15 O ATOM 1054 CB ASN A 69 26.824 7.175 -9.012 1.00 0.82 C ATOM 1055 CG ASN A 69 26.732 6.033 -7.998 1.00 1.67 C ATOM 1056 OD1 ASN A 69 25.780 5.278 -8.001 1.00 2.45 O ATOM 1057 ND2 ASN A 69 27.687 5.875 -7.123 1.00 2.41 N ATOM 1058 OXT ASN A 69 23.673 7.120 -8.060 1.00 1.44 O ATOM 0 H ASN A 69 26.118 8.013 -6.707 1.00 0.61 H new ATOM 0 HA ASN A 69 25.761 8.990 -9.480 1.00 0.64 H new ATOM 0 HB2 ASN A 69 26.787 6.778 -10.026 1.00 0.82 H new ATOM 0 HB3 ASN A 69 27.777 7.693 -8.907 1.00 0.82 H new ATOM 0 HD21 ASN A 69 27.634 5.118 -6.442 1.00 2.41 H new ATOM 0 HD22 ASN A 69 28.486 6.509 -7.120 1.00 2.41 H new TER 1065 ASN A 69 ATOM 1066 N ALA B 1 9.926 -20.489 -9.476 1.00 3.98 N ATOM 1067 CA ALA B 1 8.966 -19.356 -9.355 1.00 3.41 C ATOM 1068 C ALA B 1 9.480 -18.352 -8.311 1.00 2.89 C ATOM 1069 O ALA B 1 8.884 -18.208 -7.262 1.00 2.91 O ATOM 1070 CB ALA B 1 7.605 -19.893 -8.910 1.00 3.83 C ATOM 0 H1 ALA B 1 10.255 -20.562 -10.460 1.00 3.98 H new ATOM 0 H2 ALA B 1 10.740 -20.323 -8.850 1.00 3.98 H new ATOM 0 H3 ALA B 1 9.454 -21.374 -9.202 1.00 3.98 H new ATOM 0 HA ALA B 1 8.870 -18.859 -10.320 1.00 3.41 H new ATOM 0 HB1 ALA B 1 6.900 -19.067 -8.820 1.00 3.83 H new ATOM 0 HB2 ALA B 1 7.237 -20.606 -9.647 1.00 3.83 H new ATOM 0 HB3 ALA B 1 7.707 -20.389 -7.945 1.00 3.83 H new ATOM 1078 N PRO B 2 10.573 -17.684 -8.617 1.00 2.53 N ATOM 1079 CA PRO B 2 11.158 -16.698 -7.688 1.00 2.14 C ATOM 1080 C PRO B 2 10.162 -15.552 -7.449 1.00 1.85 C ATOM 1081 O PRO B 2 10.002 -14.674 -8.272 1.00 1.89 O ATOM 1082 CB PRO B 2 12.443 -16.197 -8.392 1.00 1.96 C ATOM 1083 CG PRO B 2 12.544 -16.932 -9.762 1.00 2.21 C ATOM 1084 CD PRO B 2 11.308 -17.851 -9.891 1.00 2.60 C ATOM 0 HA PRO B 2 11.384 -17.121 -6.709 1.00 2.14 H new ATOM 0 HB2 PRO B 2 12.404 -15.118 -8.538 1.00 1.96 H new ATOM 0 HB3 PRO B 2 13.321 -16.404 -7.780 1.00 1.96 H new ATOM 0 HG2 PRO B 2 12.574 -16.213 -10.581 1.00 2.21 H new ATOM 0 HG3 PRO B 2 13.463 -17.516 -9.817 1.00 2.21 H new ATOM 0 HD2 PRO B 2 10.691 -17.566 -10.743 1.00 2.60 H new ATOM 0 HD3 PRO B 2 11.602 -18.889 -10.044 1.00 2.60 H new ATOM 1092 N MET B 3 9.497 -15.558 -6.326 1.00 1.69 N ATOM 1093 CA MET B 3 8.519 -14.473 -6.034 1.00 1.53 C ATOM 1094 C MET B 3 9.268 -13.229 -5.552 1.00 1.17 C ATOM 1095 O MET B 3 10.412 -13.300 -5.149 1.00 0.99 O ATOM 1096 CB MET B 3 7.550 -14.939 -4.942 1.00 1.63 C ATOM 1097 CG MET B 3 7.066 -16.356 -5.257 1.00 2.15 C ATOM 1098 SD MET B 3 5.891 -16.887 -3.987 1.00 2.54 S ATOM 1099 CE MET B 3 6.153 -18.669 -4.169 1.00 3.59 C ATOM 0 H MET B 3 9.589 -16.267 -5.599 1.00 1.69 H new ATOM 0 HA MET B 3 7.960 -14.234 -6.939 1.00 1.53 H new ATOM 0 HB2 MET B 3 8.044 -14.920 -3.971 1.00 1.63 H new ATOM 0 HB3 MET B 3 6.701 -14.259 -4.881 1.00 1.63 H new ATOM 0 HG2 MET B 3 6.593 -16.381 -6.239 1.00 2.15 H new ATOM 0 HG3 MET B 3 7.913 -17.041 -5.294 1.00 2.15 H new ATOM 0 HE1 MET B 3 5.515 -19.204 -3.466 1.00 3.59 H new ATOM 0 HE2 MET B 3 5.905 -18.971 -5.187 1.00 3.59 H new ATOM 0 HE3 MET B 3 7.197 -18.906 -3.964 1.00 3.59 H new ATOM 1109 N GLY B 4 8.633 -12.088 -5.586 1.00 1.14 N ATOM 1110 CA GLY B 4 9.315 -10.845 -5.127 1.00 0.89 C ATOM 1111 C GLY B 4 9.935 -11.084 -3.749 1.00 0.62 C ATOM 1112 O GLY B 4 9.735 -12.116 -3.141 1.00 0.70 O ATOM 0 H GLY B 4 7.674 -11.964 -5.911 1.00 1.14 H new ATOM 0 HA2 GLY B 4 10.087 -10.556 -5.840 1.00 0.89 H new ATOM 0 HA3 GLY B 4 8.602 -10.022 -5.079 1.00 0.89 H new ATOM 1116 N SER B 5 10.690 -10.140 -3.254 1.00 0.44 N ATOM 1117 CA SER B 5 11.329 -10.318 -1.916 1.00 0.30 C ATOM 1118 C SER B 5 10.365 -9.843 -0.814 1.00 0.27 C ATOM 1119 O SER B 5 9.779 -10.642 -0.110 1.00 0.30 O ATOM 1120 CB SER B 5 12.647 -9.526 -1.878 1.00 0.49 C ATOM 1121 OG SER B 5 13.733 -10.441 -1.793 1.00 1.52 O ATOM 0 H SER B 5 10.892 -9.254 -3.717 1.00 0.44 H new ATOM 0 HA SER B 5 11.549 -11.371 -1.742 1.00 0.30 H new ATOM 0 HB2 SER B 5 12.742 -8.910 -2.772 1.00 0.49 H new ATOM 0 HB3 SER B 5 12.656 -8.850 -1.023 1.00 0.49 H new ATOM 0 HG SER B 5 14.578 -9.945 -1.770 1.00 1.52 H new ATOM 1127 N ASP B 6 10.197 -8.555 -0.656 1.00 0.24 N ATOM 1128 CA ASP B 6 9.269 -8.048 0.405 1.00 0.23 C ATOM 1129 C ASP B 6 8.788 -6.632 0.047 1.00 0.21 C ATOM 1130 O ASP B 6 9.161 -5.681 0.703 1.00 0.20 O ATOM 1131 CB ASP B 6 10.002 -7.999 1.753 1.00 0.25 C ATOM 1132 CG ASP B 6 10.793 -9.291 1.961 1.00 1.26 C ATOM 1133 OD1 ASP B 6 10.193 -10.269 2.377 1.00 2.00 O ATOM 1134 OD2 ASP B 6 11.984 -9.282 1.699 1.00 2.03 O ATOM 0 H ASP B 6 10.658 -7.834 -1.211 1.00 0.24 H new ATOM 0 HA ASP B 6 8.413 -8.719 0.474 1.00 0.23 H new ATOM 0 HB2 ASP B 6 10.675 -7.142 1.780 1.00 0.25 H new ATOM 0 HB3 ASP B 6 9.284 -7.867 2.563 1.00 0.25 H new ATOM 1139 N PRO B 7 7.976 -6.526 -0.984 1.00 0.22 N ATOM 1140 CA PRO B 7 7.454 -5.216 -1.420 1.00 0.22 C ATOM 1141 C PRO B 7 6.509 -4.640 -0.339 1.00 0.20 C ATOM 1142 O PRO B 7 6.134 -5.346 0.577 1.00 0.20 O ATOM 1143 CB PRO B 7 6.690 -5.514 -2.735 1.00 0.25 C ATOM 1144 CG PRO B 7 6.726 -7.055 -2.960 1.00 0.27 C ATOM 1145 CD PRO B 7 7.525 -7.678 -1.794 1.00 0.26 C ATOM 0 HA PRO B 7 8.239 -4.475 -1.572 1.00 0.22 H new ATOM 0 HB2 PRO B 7 5.661 -5.160 -2.669 1.00 0.25 H new ATOM 0 HB3 PRO B 7 7.153 -4.993 -3.573 1.00 0.25 H new ATOM 0 HG2 PRO B 7 5.715 -7.461 -2.992 1.00 0.27 H new ATOM 0 HG3 PRO B 7 7.195 -7.292 -3.915 1.00 0.27 H new ATOM 0 HD2 PRO B 7 6.904 -8.355 -1.207 1.00 0.26 H new ATOM 0 HD3 PRO B 7 8.371 -8.259 -2.161 1.00 0.26 H new ATOM 1153 N PRO B 8 6.143 -3.378 -0.476 1.00 0.21 N ATOM 1154 CA PRO B 8 5.237 -2.720 0.491 1.00 0.22 C ATOM 1155 C PRO B 8 3.868 -3.422 0.485 1.00 0.22 C ATOM 1156 O PRO B 8 3.744 -4.561 0.082 1.00 0.22 O ATOM 1157 CB PRO B 8 5.120 -1.258 -0.005 1.00 0.24 C ATOM 1158 CG PRO B 8 5.866 -1.168 -1.367 1.00 0.26 C ATOM 1159 CD PRO B 8 6.599 -2.510 -1.585 1.00 0.24 C ATOM 0 HA PRO B 8 5.607 -2.765 1.515 1.00 0.22 H new ATOM 0 HB2 PRO B 8 4.074 -0.975 -0.121 1.00 0.24 H new ATOM 0 HB3 PRO B 8 5.558 -0.571 0.719 1.00 0.24 H new ATOM 0 HG2 PRO B 8 5.162 -0.980 -2.178 1.00 0.26 H new ATOM 0 HG3 PRO B 8 6.575 -0.340 -1.362 1.00 0.26 H new ATOM 0 HD2 PRO B 8 6.350 -2.943 -2.554 1.00 0.24 H new ATOM 0 HD3 PRO B 8 7.681 -2.377 -1.564 1.00 0.24 H new ATOM 1167 N THR B 9 2.839 -2.745 0.930 1.00 0.23 N ATOM 1168 CA THR B 9 1.485 -3.370 0.950 1.00 0.24 C ATOM 1169 C THR B 9 0.410 -2.283 0.947 1.00 0.24 C ATOM 1170 O THR B 9 0.411 -1.389 1.770 1.00 0.25 O ATOM 1171 CB THR B 9 1.338 -4.222 2.210 1.00 0.25 C ATOM 1172 OG1 THR B 9 2.507 -5.011 2.381 1.00 0.26 O ATOM 1173 CG2 THR B 9 0.116 -5.133 2.078 1.00 0.29 C ATOM 0 H THR B 9 2.880 -1.788 1.280 1.00 0.23 H new ATOM 0 HA THR B 9 1.366 -3.996 0.065 1.00 0.24 H new ATOM 0 HB THR B 9 1.206 -3.572 3.075 1.00 0.25 H new ATOM 0 HG1 THR B 9 2.887 -5.227 1.504 1.00 0.26 H new ATOM 0 HG21 THR B 9 0.015 -5.739 2.978 1.00 0.29 H new ATOM 0 HG22 THR B 9 -0.779 -4.525 1.947 1.00 0.29 H new ATOM 0 HG23 THR B 9 0.240 -5.786 1.214 1.00 0.29 H new ATOM 1181 N ALA B 10 -0.507 -2.360 0.027 1.00 0.23 N ATOM 1182 CA ALA B 10 -1.591 -1.343 -0.041 1.00 0.23 C ATOM 1183 C ALA B 10 -2.539 -1.512 1.146 1.00 0.22 C ATOM 1184 O ALA B 10 -3.593 -2.105 1.027 1.00 0.27 O ATOM 1185 CB ALA B 10 -2.373 -1.532 -1.340 1.00 0.23 C ATOM 0 H ALA B 10 -0.553 -3.088 -0.686 1.00 0.23 H new ATOM 0 HA ALA B 10 -1.152 -0.346 -0.011 1.00 0.23 H new ATOM 0 HB1 ALA B 10 -3.169 -0.790 -1.397 1.00 0.23 H new ATOM 0 HB2 ALA B 10 -1.702 -1.409 -2.190 1.00 0.23 H new ATOM 0 HB3 ALA B 10 -2.807 -2.532 -1.361 1.00 0.23 H new ATOM 1191 N CYS B 11 -2.177 -0.986 2.288 1.00 0.25 N ATOM 1192 CA CYS B 11 -3.054 -1.095 3.496 1.00 0.25 C ATOM 1193 C CYS B 11 -3.646 0.281 3.797 1.00 0.25 C ATOM 1194 O CYS B 11 -2.977 1.291 3.691 1.00 0.26 O ATOM 1195 CB CYS B 11 -2.219 -1.566 4.691 1.00 0.25 C ATOM 1196 SG CYS B 11 -1.314 -3.069 4.241 1.00 0.34 S ATOM 0 H CYS B 11 -1.304 -0.481 2.438 1.00 0.25 H new ATOM 0 HA CYS B 11 -3.854 -1.812 3.313 1.00 0.25 H new ATOM 0 HB2 CYS B 11 -1.521 -0.784 4.991 1.00 0.25 H new ATOM 0 HB3 CYS B 11 -2.866 -1.761 5.546 1.00 0.25 H new ATOM 1201 N CYS B 12 -4.898 0.337 4.162 1.00 0.24 N ATOM 1202 CA CYS B 12 -5.523 1.656 4.460 1.00 0.24 C ATOM 1203 C CYS B 12 -4.987 2.187 5.789 1.00 0.24 C ATOM 1204 O CYS B 12 -4.730 1.436 6.709 1.00 0.27 O ATOM 1205 CB CYS B 12 -7.044 1.499 4.550 1.00 0.24 C ATOM 1206 SG CYS B 12 -7.707 1.069 2.922 1.00 0.24 S ATOM 0 H CYS B 12 -5.513 -0.470 4.266 1.00 0.24 H new ATOM 0 HA CYS B 12 -5.279 2.358 3.662 1.00 0.24 H new ATOM 0 HB2 CYS B 12 -7.298 0.724 5.273 1.00 0.24 H new ATOM 0 HB3 CYS B 12 -7.495 2.426 4.904 1.00 0.24 H new ATOM 1211 N PHE B 13 -4.823 3.480 5.897 1.00 0.25 N ATOM 1212 CA PHE B 13 -4.309 4.082 7.165 1.00 0.27 C ATOM 1213 C PHE B 13 -5.484 4.705 7.920 1.00 0.24 C ATOM 1214 O PHE B 13 -5.403 4.990 9.099 1.00 0.26 O ATOM 1215 CB PHE B 13 -3.287 5.171 6.830 1.00 0.30 C ATOM 1216 CG PHE B 13 -3.972 6.284 6.076 1.00 0.31 C ATOM 1217 CD1 PHE B 13 -4.278 6.125 4.711 1.00 0.31 C ATOM 1218 CD2 PHE B 13 -4.313 7.479 6.741 1.00 0.35 C ATOM 1219 CE1 PHE B 13 -4.924 7.160 4.010 1.00 0.34 C ATOM 1220 CE2 PHE B 13 -4.959 8.514 6.039 1.00 0.37 C ATOM 1221 CZ PHE B 13 -5.265 8.355 4.674 1.00 0.37 C ATOM 0 H PHE B 13 -5.025 4.151 5.155 1.00 0.25 H new ATOM 0 HA PHE B 13 -3.834 3.316 7.778 1.00 0.27 H new ATOM 0 HB2 PHE B 13 -2.839 5.558 7.745 1.00 0.30 H new ATOM 0 HB3 PHE B 13 -2.478 4.754 6.230 1.00 0.30 H new ATOM 0 HD1 PHE B 13 -4.017 5.209 4.202 1.00 0.31 H new ATOM 0 HD2 PHE B 13 -4.079 7.600 7.788 1.00 0.35 H new ATOM 0 HE1 PHE B 13 -5.158 7.038 2.963 1.00 0.34 H new ATOM 0 HE2 PHE B 13 -5.220 9.430 6.548 1.00 0.37 H new ATOM 0 HZ PHE B 13 -5.761 9.149 4.136 1.00 0.37 H new ATOM 1231 N SER B 14 -6.578 4.915 7.240 1.00 0.21 N ATOM 1232 CA SER B 14 -7.772 5.516 7.895 1.00 0.20 C ATOM 1233 C SER B 14 -9.019 5.135 7.096 1.00 0.18 C ATOM 1234 O SER B 14 -9.025 4.160 6.372 1.00 0.17 O ATOM 1235 CB SER B 14 -7.627 7.038 7.924 1.00 0.20 C ATOM 1236 OG SER B 14 -7.654 7.537 6.593 1.00 0.25 O ATOM 0 H SER B 14 -6.695 4.694 6.251 1.00 0.21 H new ATOM 0 HA SER B 14 -7.860 5.145 8.916 1.00 0.20 H new ATOM 0 HB2 SER B 14 -8.434 7.481 8.507 1.00 0.20 H new ATOM 0 HB3 SER B 14 -6.692 7.317 8.410 1.00 0.20 H new ATOM 0 HG SER B 14 -6.739 7.597 6.247 1.00 0.25 H new ATOM 1242 N TYR B 15 -10.075 5.893 7.216 1.00 0.19 N ATOM 1243 CA TYR B 15 -11.320 5.567 6.458 1.00 0.20 C ATOM 1244 C TYR B 15 -12.127 6.848 6.242 1.00 0.24 C ATOM 1245 O TYR B 15 -12.018 7.793 6.997 1.00 0.29 O ATOM 1246 CB TYR B 15 -12.161 4.563 7.261 1.00 0.22 C ATOM 1247 CG TYR B 15 -11.255 3.547 7.913 1.00 0.21 C ATOM 1248 CD1 TYR B 15 -10.814 2.425 7.187 1.00 0.21 C ATOM 1249 CD2 TYR B 15 -10.850 3.726 9.249 1.00 0.25 C ATOM 1250 CE1 TYR B 15 -9.967 1.481 7.798 1.00 0.23 C ATOM 1251 CE2 TYR B 15 -10.002 2.782 9.860 1.00 0.28 C ATOM 1252 CZ TYR B 15 -9.561 1.659 9.134 1.00 0.27 C ATOM 1253 OH TYR B 15 -8.730 0.734 9.732 1.00 0.32 O ATOM 0 H TYR B 15 -10.131 6.724 7.805 1.00 0.19 H new ATOM 0 HA TYR B 15 -11.058 5.131 5.494 1.00 0.20 H new ATOM 0 HB2 TYR B 15 -12.742 5.086 8.020 1.00 0.22 H new ATOM 0 HB3 TYR B 15 -12.872 4.062 6.604 1.00 0.22 H new ATOM 0 HD1 TYR B 15 -11.125 2.288 6.162 1.00 0.21 H new ATOM 0 HD2 TYR B 15 -11.189 4.587 9.806 1.00 0.25 H new ATOM 0 HE1 TYR B 15 -9.628 0.620 7.241 1.00 0.23 H new ATOM 0 HE2 TYR B 15 -9.690 2.919 10.885 1.00 0.28 H new ATOM 0 HH TYR B 15 -8.546 1.008 10.655 1.00 0.32 H new ATOM 1263 N THR B 16 -12.941 6.888 5.222 1.00 0.22 N ATOM 1264 CA THR B 16 -13.752 8.113 4.981 1.00 0.28 C ATOM 1265 C THR B 16 -14.637 8.368 6.206 1.00 0.32 C ATOM 1266 O THR B 16 -14.355 7.895 7.289 1.00 0.38 O ATOM 1267 CB THR B 16 -14.612 7.932 3.724 1.00 0.28 C ATOM 1268 OG1 THR B 16 -15.386 9.103 3.505 1.00 0.39 O ATOM 1269 CG2 THR B 16 -15.542 6.729 3.886 1.00 0.27 C ATOM 0 H THR B 16 -13.078 6.132 4.551 1.00 0.22 H new ATOM 0 HA THR B 16 -13.096 8.969 4.824 1.00 0.28 H new ATOM 0 HB THR B 16 -13.956 7.760 2.870 1.00 0.28 H new ATOM 0 HG1 THR B 16 -15.934 8.987 2.701 1.00 0.39 H new ATOM 0 HG21 THR B 16 -16.146 6.613 2.986 1.00 0.27 H new ATOM 0 HG22 THR B 16 -14.948 5.829 4.043 1.00 0.27 H new ATOM 0 HG23 THR B 16 -16.195 6.887 4.744 1.00 0.27 H new ATOM 1277 N ALA B 17 -15.700 9.110 6.054 1.00 0.36 N ATOM 1278 CA ALA B 17 -16.588 9.390 7.223 1.00 0.42 C ATOM 1279 C ALA B 17 -18.035 9.506 6.751 1.00 0.45 C ATOM 1280 O ALA B 17 -18.887 10.009 7.455 1.00 0.63 O ATOM 1281 CB ALA B 17 -16.165 10.711 7.871 1.00 0.50 C ATOM 0 H ALA B 17 -15.993 9.534 5.174 1.00 0.36 H new ATOM 0 HA ALA B 17 -16.504 8.578 7.945 1.00 0.42 H new ATOM 0 HB1 ALA B 17 -16.810 10.920 8.725 1.00 0.50 H new ATOM 0 HB2 ALA B 17 -15.131 10.637 8.207 1.00 0.50 H new ATOM 0 HB3 ALA B 17 -16.253 11.518 7.143 1.00 0.50 H new ATOM 1287 N ARG B 18 -18.321 9.050 5.560 1.00 0.47 N ATOM 1288 CA ARG B 18 -19.716 9.142 5.037 1.00 0.48 C ATOM 1289 C ARG B 18 -20.034 7.915 4.181 1.00 0.41 C ATOM 1290 O ARG B 18 -19.268 7.530 3.320 1.00 0.37 O ATOM 1291 CB ARG B 18 -19.841 10.402 4.183 1.00 0.53 C ATOM 1292 CG ARG B 18 -19.362 11.607 4.993 1.00 0.70 C ATOM 1293 CD ARG B 18 -19.768 12.896 4.284 1.00 1.15 C ATOM 1294 NE ARG B 18 -19.132 12.945 2.936 1.00 1.96 N ATOM 1295 CZ ARG B 18 -19.564 13.791 2.041 1.00 2.64 C ATOM 1296 NH1 ARG B 18 -20.554 14.592 2.324 1.00 2.84 N ATOM 1297 NH2 ARG B 18 -19.004 13.835 0.864 1.00 3.63 N ATOM 0 H ARG B 18 -17.649 8.618 4.926 1.00 0.47 H new ATOM 0 HA ARG B 18 -20.416 9.184 5.871 1.00 0.48 H new ATOM 0 HB2 ARG B 18 -19.248 10.300 3.274 1.00 0.53 H new ATOM 0 HB3 ARG B 18 -20.876 10.545 3.873 1.00 0.53 H new ATOM 0 HG2 ARG B 18 -19.793 11.580 5.994 1.00 0.70 H new ATOM 0 HG3 ARG B 18 -18.279 11.571 5.111 1.00 0.70 H new ATOM 0 HD2 ARG B 18 -20.853 12.944 4.188 1.00 1.15 H new ATOM 0 HD3 ARG B 18 -19.462 13.760 4.874 1.00 1.15 H new ATOM 0 HE ARG B 18 -18.359 12.317 2.713 1.00 1.96 H new ATOM 0 HH11 ARG B 18 -20.991 14.557 3.245 1.00 2.84 H new ATOM 0 HH12 ARG B 18 -20.891 15.253 1.624 1.00 2.84 H new ATOM 0 HH21 ARG B 18 -18.230 13.209 0.644 1.00 3.63 H new ATOM 0 HH22 ARG B 18 -19.341 14.496 0.163 1.00 3.63 H new ATOM 1311 N LYS B 19 -21.167 7.306 4.402 1.00 0.40 N ATOM 1312 CA LYS B 19 -21.544 6.115 3.592 1.00 0.35 C ATOM 1313 C LYS B 19 -21.696 6.556 2.134 1.00 0.31 C ATOM 1314 O LYS B 19 -22.405 7.494 1.828 1.00 0.33 O ATOM 1315 CB LYS B 19 -22.870 5.544 4.133 1.00 0.38 C ATOM 1316 CG LYS B 19 -23.419 4.421 3.227 1.00 0.40 C ATOM 1317 CD LYS B 19 -24.912 4.209 3.507 1.00 0.62 C ATOM 1318 CE LYS B 19 -25.149 4.051 5.009 1.00 0.97 C ATOM 1319 NZ LYS B 19 -26.486 3.434 5.240 1.00 1.79 N ATOM 0 H LYS B 19 -21.848 7.583 5.109 1.00 0.40 H new ATOM 0 HA LYS B 19 -20.781 5.339 3.654 1.00 0.35 H new ATOM 0 HB2 LYS B 19 -22.716 5.157 5.140 1.00 0.38 H new ATOM 0 HB3 LYS B 19 -23.607 6.344 4.209 1.00 0.38 H new ATOM 0 HG2 LYS B 19 -23.270 4.681 2.179 1.00 0.40 H new ATOM 0 HG3 LYS B 19 -22.871 3.496 3.407 1.00 0.40 H new ATOM 0 HD2 LYS B 19 -25.485 5.056 3.128 1.00 0.62 H new ATOM 0 HD3 LYS B 19 -25.266 3.323 2.980 1.00 0.62 H new ATOM 0 HE2 LYS B 19 -24.369 3.429 5.447 1.00 0.97 H new ATOM 0 HE3 LYS B 19 -25.095 5.022 5.500 1.00 0.97 H new ATOM 0 HZ1 LYS B 19 -26.647 3.327 6.262 1.00 1.79 H new ATOM 0 HZ2 LYS B 19 -27.225 4.044 4.835 1.00 1.79 H new ATOM 0 HZ3 LYS B 19 -26.521 2.500 4.784 1.00 1.79 H new ATOM 1333 N LEU B 20 -21.035 5.885 1.233 1.00 0.27 N ATOM 1334 CA LEU B 20 -21.140 6.261 -0.203 1.00 0.27 C ATOM 1335 C LEU B 20 -22.515 5.813 -0.748 1.00 0.27 C ATOM 1336 O LEU B 20 -22.850 4.652 -0.614 1.00 0.27 O ATOM 1337 CB LEU B 20 -20.050 5.533 -0.991 1.00 0.24 C ATOM 1338 CG LEU B 20 -18.691 5.702 -0.306 1.00 0.23 C ATOM 1339 CD1 LEU B 20 -17.603 5.136 -1.219 1.00 0.22 C ATOM 1340 CD2 LEU B 20 -18.415 7.188 -0.043 1.00 0.27 C ATOM 0 H LEU B 20 -20.426 5.091 1.430 1.00 0.27 H new ATOM 0 HA LEU B 20 -21.027 7.340 -0.306 1.00 0.27 H new ATOM 0 HB2 LEU B 20 -20.295 4.474 -1.069 1.00 0.24 H new ATOM 0 HB3 LEU B 20 -20.003 5.926 -2.007 1.00 0.24 H new ATOM 0 HG LEU B 20 -18.695 5.170 0.645 1.00 0.23 H new ATOM 0 HD11 LEU B 20 -16.630 5.251 -0.741 1.00 0.22 H new ATOM 0 HD12 LEU B 20 -17.795 4.079 -1.401 1.00 0.22 H new ATOM 0 HD13 LEU B 20 -17.607 5.674 -2.167 1.00 0.22 H new ATOM 0 HD21 LEU B 20 -17.446 7.297 0.444 1.00 0.27 H new ATOM 0 HD22 LEU B 20 -18.409 7.730 -0.989 1.00 0.27 H new ATOM 0 HD23 LEU B 20 -19.194 7.594 0.603 1.00 0.27 H new ATOM 1352 N PRO B 21 -23.285 6.701 -1.364 1.00 0.31 N ATOM 1353 CA PRO B 21 -24.594 6.303 -1.915 1.00 0.34 C ATOM 1354 C PRO B 21 -24.411 5.135 -2.887 1.00 0.30 C ATOM 1355 O PRO B 21 -23.442 5.071 -3.614 1.00 0.29 O ATOM 1356 CB PRO B 21 -25.119 7.555 -2.654 1.00 0.39 C ATOM 1357 CG PRO B 21 -24.143 8.723 -2.338 1.00 0.42 C ATOM 1358 CD PRO B 21 -22.946 8.131 -1.562 1.00 0.35 C ATOM 0 HA PRO B 21 -25.290 5.973 -1.144 1.00 0.34 H new ATOM 0 HB2 PRO B 21 -25.167 7.375 -3.728 1.00 0.39 H new ATOM 0 HB3 PRO B 21 -26.129 7.799 -2.326 1.00 0.39 H new ATOM 0 HG2 PRO B 21 -23.805 9.200 -3.258 1.00 0.42 H new ATOM 0 HG3 PRO B 21 -24.642 9.490 -1.746 1.00 0.42 H new ATOM 0 HD2 PRO B 21 -22.018 8.242 -2.123 1.00 0.35 H new ATOM 0 HD3 PRO B 21 -22.804 8.639 -0.608 1.00 0.35 H new ATOM 1366 N ARG B 22 -25.341 4.223 -2.922 1.00 0.31 N ATOM 1367 CA ARG B 22 -25.218 3.085 -3.873 1.00 0.30 C ATOM 1368 C ARG B 22 -24.935 3.648 -5.267 1.00 0.31 C ATOM 1369 O ARG B 22 -24.220 3.063 -6.056 1.00 0.31 O ATOM 1370 CB ARG B 22 -26.524 2.287 -3.893 1.00 0.33 C ATOM 1371 CG ARG B 22 -26.305 0.962 -4.628 1.00 0.69 C ATOM 1372 CD ARG B 22 -27.540 0.076 -4.455 1.00 1.24 C ATOM 1373 NE ARG B 22 -27.252 -1.287 -4.984 1.00 1.34 N ATOM 1374 CZ ARG B 22 -28.036 -2.284 -4.677 1.00 2.07 C ATOM 1375 NH1 ARG B 22 -29.069 -2.088 -3.906 1.00 2.89 N ATOM 1376 NH2 ARG B 22 -27.785 -3.478 -5.141 1.00 2.44 N ATOM 0 H ARG B 22 -26.176 4.216 -2.337 1.00 0.31 H new ATOM 0 HA ARG B 22 -24.407 2.425 -3.565 1.00 0.30 H new ATOM 0 HB2 ARG B 22 -26.862 2.098 -2.874 1.00 0.33 H new ATOM 0 HB3 ARG B 22 -27.307 2.863 -4.387 1.00 0.33 H new ATOM 0 HG2 ARG B 22 -26.121 1.146 -5.686 1.00 0.69 H new ATOM 0 HG3 ARG B 22 -25.423 0.457 -4.235 1.00 0.69 H new ATOM 0 HD2 ARG B 22 -27.815 0.018 -3.402 1.00 1.24 H new ATOM 0 HD3 ARG B 22 -28.389 0.510 -4.983 1.00 1.24 H new ATOM 0 HE ARG B 22 -26.443 -1.441 -5.586 1.00 1.34 H new ATOM 0 HH11 ARG B 22 -29.265 -1.155 -3.543 1.00 2.89 H new ATOM 0 HH12 ARG B 22 -29.682 -2.867 -3.666 1.00 2.89 H new ATOM 0 HH21 ARG B 22 -26.976 -3.631 -5.743 1.00 2.44 H new ATOM 0 HH22 ARG B 22 -28.398 -4.258 -4.901 1.00 2.44 H new ATOM 1390 N ASN B 23 -25.491 4.793 -5.565 1.00 0.34 N ATOM 1391 CA ASN B 23 -25.261 5.417 -6.900 1.00 0.37 C ATOM 1392 C ASN B 23 -23.838 5.979 -6.964 1.00 0.37 C ATOM 1393 O ASN B 23 -23.520 6.786 -7.813 1.00 0.40 O ATOM 1394 CB ASN B 23 -26.266 6.551 -7.112 1.00 0.42 C ATOM 1395 CG ASN B 23 -26.172 7.055 -8.553 1.00 1.47 C ATOM 1396 OD1 ASN B 23 -26.537 6.358 -9.478 1.00 2.16 O ATOM 1397 ND2 ASN B 23 -25.693 8.247 -8.783 1.00 2.38 N ATOM 0 H ASN B 23 -26.096 5.324 -4.939 1.00 0.34 H new ATOM 0 HA ASN B 23 -25.390 4.665 -7.679 1.00 0.37 H new ATOM 0 HB2 ASN B 23 -27.276 6.199 -6.904 1.00 0.42 H new ATOM 0 HB3 ASN B 23 -26.063 7.366 -6.417 1.00 0.42 H new ATOM 0 HD21 ASN B 23 -25.625 8.593 -9.740 1.00 2.38 H new ATOM 0 HD22 ASN B 23 -25.387 8.832 -8.006 1.00 2.38 H new ATOM 1404 N PHE B 24 -22.982 5.565 -6.065 1.00 0.33 N ATOM 1405 CA PHE B 24 -21.576 6.081 -6.060 1.00 0.33 C ATOM 1406 C PHE B 24 -20.623 4.925 -5.737 1.00 0.30 C ATOM 1407 O PHE B 24 -19.556 5.119 -5.190 1.00 0.28 O ATOM 1408 CB PHE B 24 -21.455 7.180 -4.988 1.00 0.33 C ATOM 1409 CG PHE B 24 -20.265 8.080 -5.267 1.00 0.35 C ATOM 1410 CD1 PHE B 24 -20.201 8.822 -6.466 1.00 0.39 C ATOM 1411 CD2 PHE B 24 -19.224 8.188 -4.321 1.00 0.35 C ATOM 1412 CE1 PHE B 24 -19.102 9.664 -6.716 1.00 0.41 C ATOM 1413 CE2 PHE B 24 -18.125 9.031 -4.575 1.00 0.37 C ATOM 1414 CZ PHE B 24 -18.064 9.768 -5.770 1.00 0.41 C ATOM 0 H PHE B 24 -23.195 4.890 -5.331 1.00 0.33 H new ATOM 0 HA PHE B 24 -21.319 6.496 -7.034 1.00 0.33 H new ATOM 0 HB2 PHE B 24 -22.368 7.774 -4.966 1.00 0.33 H new ATOM 0 HB3 PHE B 24 -21.348 6.724 -4.004 1.00 0.33 H new ATOM 0 HD1 PHE B 24 -20.996 8.743 -7.192 1.00 0.39 H new ATOM 0 HD2 PHE B 24 -19.270 7.624 -3.401 1.00 0.35 H new ATOM 0 HE1 PHE B 24 -19.054 10.231 -7.634 1.00 0.41 H new ATOM 0 HE2 PHE B 24 -17.328 9.111 -3.851 1.00 0.37 H new ATOM 0 HZ PHE B 24 -17.221 10.414 -5.963 1.00 0.41 H new ATOM 1424 N VAL B 25 -21.006 3.721 -6.079 1.00 0.30 N ATOM 1425 CA VAL B 25 -20.137 2.538 -5.804 1.00 0.28 C ATOM 1426 C VAL B 25 -20.384 1.479 -6.880 1.00 0.30 C ATOM 1427 O VAL B 25 -21.236 0.624 -6.737 1.00 0.31 O ATOM 1428 CB VAL B 25 -20.482 1.952 -4.433 1.00 0.24 C ATOM 1429 CG1 VAL B 25 -19.522 0.805 -4.111 1.00 0.22 C ATOM 1430 CG2 VAL B 25 -20.350 3.032 -3.359 1.00 0.23 C ATOM 0 H VAL B 25 -21.890 3.506 -6.540 1.00 0.30 H new ATOM 0 HA VAL B 25 -19.091 2.844 -5.813 1.00 0.28 H new ATOM 0 HB VAL B 25 -21.507 1.581 -4.452 1.00 0.24 H new ATOM 0 HG11 VAL B 25 -19.768 0.388 -3.134 1.00 0.22 H new ATOM 0 HG12 VAL B 25 -19.614 0.029 -4.871 1.00 0.22 H new ATOM 0 HG13 VAL B 25 -18.499 1.180 -4.098 1.00 0.22 H new ATOM 0 HG21 VAL B 25 -20.597 2.609 -2.385 1.00 0.23 H new ATOM 0 HG22 VAL B 25 -19.326 3.406 -3.343 1.00 0.23 H new ATOM 0 HG23 VAL B 25 -21.033 3.852 -3.582 1.00 0.23 H new ATOM 1440 N VAL B 26 -19.651 1.529 -7.960 1.00 0.33 N ATOM 1441 CA VAL B 26 -19.848 0.530 -9.046 1.00 0.36 C ATOM 1442 C VAL B 26 -19.049 -0.734 -8.740 1.00 0.35 C ATOM 1443 O VAL B 26 -19.229 -1.759 -9.366 1.00 0.37 O ATOM 1444 CB VAL B 26 -19.368 1.126 -10.369 1.00 0.41 C ATOM 1445 CG1 VAL B 26 -20.277 2.292 -10.759 1.00 0.78 C ATOM 1446 CG2 VAL B 26 -17.932 1.634 -10.215 1.00 0.61 C ATOM 0 H VAL B 26 -18.923 2.221 -8.136 1.00 0.33 H new ATOM 0 HA VAL B 26 -20.906 0.276 -9.116 1.00 0.36 H new ATOM 0 HB VAL B 26 -19.400 0.359 -11.143 1.00 0.41 H new ATOM 0 HG11 VAL B 26 -19.937 2.719 -11.702 1.00 0.78 H new ATOM 0 HG12 VAL B 26 -21.300 1.934 -10.871 1.00 0.78 H new ATOM 0 HG13 VAL B 26 -20.243 3.056 -9.982 1.00 0.78 H new ATOM 0 HG21 VAL B 26 -17.593 2.058 -11.160 1.00 0.61 H new ATOM 0 HG22 VAL B 26 -17.898 2.400 -9.440 1.00 0.61 H new ATOM 0 HG23 VAL B 26 -17.281 0.806 -9.935 1.00 0.61 H new ATOM 1456 N ASP B 27 -18.164 -0.674 -7.784 1.00 0.32 N ATOM 1457 CA ASP B 27 -17.359 -1.881 -7.451 1.00 0.31 C ATOM 1458 C ASP B 27 -16.584 -1.630 -6.162 1.00 0.27 C ATOM 1459 O ASP B 27 -16.784 -0.638 -5.490 1.00 0.25 O ATOM 1460 CB ASP B 27 -16.375 -2.164 -8.590 1.00 0.34 C ATOM 1461 CG ASP B 27 -15.772 -3.558 -8.412 1.00 0.35 C ATOM 1462 OD1 ASP B 27 -16.491 -4.442 -7.976 1.00 1.09 O ATOM 1463 OD2 ASP B 27 -14.601 -3.718 -8.714 1.00 1.13 O ATOM 0 H ASP B 27 -17.964 0.154 -7.222 1.00 0.32 H new ATOM 0 HA ASP B 27 -18.020 -2.738 -7.319 1.00 0.31 H new ATOM 0 HB2 ASP B 27 -16.886 -2.098 -9.551 1.00 0.34 H new ATOM 0 HB3 ASP B 27 -15.585 -1.413 -8.597 1.00 0.34 H new ATOM 1468 N TYR B 28 -15.696 -2.519 -5.808 1.00 0.26 N ATOM 1469 CA TYR B 28 -14.909 -2.320 -4.561 1.00 0.23 C ATOM 1470 C TYR B 28 -13.593 -3.088 -4.648 1.00 0.25 C ATOM 1471 O TYR B 28 -13.254 -3.665 -5.662 1.00 0.29 O ATOM 1472 CB TYR B 28 -15.716 -2.790 -3.346 1.00 0.19 C ATOM 1473 CG TYR B 28 -15.793 -4.303 -3.304 1.00 0.21 C ATOM 1474 CD1 TYR B 28 -16.462 -5.007 -4.326 1.00 0.25 C ATOM 1475 CD2 TYR B 28 -15.207 -5.008 -2.233 1.00 0.19 C ATOM 1476 CE1 TYR B 28 -16.542 -6.410 -4.278 1.00 0.27 C ATOM 1477 CE2 TYR B 28 -15.287 -6.412 -2.184 1.00 0.22 C ATOM 1478 CZ TYR B 28 -15.955 -7.114 -3.206 1.00 0.25 C ATOM 1479 OH TYR B 28 -16.034 -8.491 -3.159 1.00 0.28 O ATOM 0 H TYR B 28 -15.483 -3.371 -6.327 1.00 0.26 H new ATOM 0 HA TYR B 28 -14.692 -1.258 -4.446 1.00 0.23 H new ATOM 0 HB2 TYR B 28 -15.254 -2.419 -2.431 1.00 0.19 H new ATOM 0 HB3 TYR B 28 -16.721 -2.371 -3.387 1.00 0.19 H new ATOM 0 HD1 TYR B 28 -16.913 -4.468 -5.146 1.00 0.25 H new ATOM 0 HD2 TYR B 28 -14.696 -4.470 -1.449 1.00 0.19 H new ATOM 0 HE1 TYR B 28 -17.053 -6.949 -5.062 1.00 0.27 H new ATOM 0 HE2 TYR B 28 -14.837 -6.951 -1.363 1.00 0.22 H new ATOM 0 HH TYR B 28 -15.577 -8.818 -2.356 1.00 0.28 H new ATOM 1489 N TYR B 29 -12.845 -3.076 -3.587 1.00 0.23 N ATOM 1490 CA TYR B 29 -11.535 -3.775 -3.578 1.00 0.25 C ATOM 1491 C TYR B 29 -11.112 -3.991 -2.119 1.00 0.22 C ATOM 1492 O TYR B 29 -11.244 -3.109 -1.297 1.00 0.23 O ATOM 1493 CB TYR B 29 -10.522 -2.893 -4.328 1.00 0.29 C ATOM 1494 CG TYR B 29 -9.106 -3.283 -3.977 1.00 0.31 C ATOM 1495 CD1 TYR B 29 -8.571 -4.489 -4.462 1.00 0.36 C ATOM 1496 CD2 TYR B 29 -8.324 -2.438 -3.167 1.00 0.35 C ATOM 1497 CE1 TYR B 29 -7.251 -4.855 -4.136 1.00 0.39 C ATOM 1498 CE2 TYR B 29 -7.004 -2.802 -2.840 1.00 0.38 C ATOM 1499 CZ TYR B 29 -6.467 -4.010 -3.323 1.00 0.36 C ATOM 1500 OH TYR B 29 -5.172 -4.368 -3.004 1.00 0.39 O ATOM 0 H TYR B 29 -13.087 -2.606 -2.715 1.00 0.23 H new ATOM 0 HA TYR B 29 -11.591 -4.746 -4.070 1.00 0.25 H new ATOM 0 HB2 TYR B 29 -10.675 -2.990 -5.403 1.00 0.29 H new ATOM 0 HB3 TYR B 29 -10.688 -1.846 -4.076 1.00 0.29 H new ATOM 0 HD1 TYR B 29 -9.172 -5.135 -5.085 1.00 0.36 H new ATOM 0 HD2 TYR B 29 -8.736 -1.511 -2.797 1.00 0.35 H new ATOM 0 HE1 TYR B 29 -6.839 -5.782 -4.508 1.00 0.39 H new ATOM 0 HE2 TYR B 29 -6.403 -2.154 -2.219 1.00 0.38 H new ATOM 0 HH TYR B 29 -4.771 -3.676 -2.438 1.00 0.39 H new ATOM 1510 N GLU B 30 -10.615 -5.154 -1.784 1.00 0.22 N ATOM 1511 CA GLU B 30 -10.197 -5.413 -0.368 1.00 0.20 C ATOM 1512 C GLU B 30 -8.687 -5.184 -0.225 1.00 0.21 C ATOM 1513 O GLU B 30 -7.941 -5.254 -1.181 1.00 0.24 O ATOM 1514 CB GLU B 30 -10.536 -6.862 0.005 1.00 0.22 C ATOM 1515 CG GLU B 30 -12.030 -6.976 0.323 1.00 0.25 C ATOM 1516 CD GLU B 30 -12.430 -8.452 0.376 1.00 0.69 C ATOM 1517 OE1 GLU B 30 -11.965 -9.140 1.268 1.00 1.35 O ATOM 1518 OE2 GLU B 30 -13.196 -8.868 -0.478 1.00 1.43 O ATOM 0 H GLU B 30 -10.480 -5.935 -2.426 1.00 0.22 H new ATOM 0 HA GLU B 30 -10.727 -4.732 0.298 1.00 0.20 H new ATOM 0 HB2 GLU B 30 -10.277 -7.530 -0.817 1.00 0.22 H new ATOM 0 HB3 GLU B 30 -9.946 -7.174 0.867 1.00 0.22 H new ATOM 0 HG2 GLU B 30 -12.247 -6.495 1.277 1.00 0.25 H new ATOM 0 HG3 GLU B 30 -12.615 -6.457 -0.436 1.00 0.25 H new ATOM 1525 N THR B 31 -8.242 -4.901 0.969 1.00 0.19 N ATOM 1526 CA THR B 31 -6.785 -4.652 1.201 1.00 0.21 C ATOM 1527 C THR B 31 -6.001 -5.965 1.145 1.00 0.25 C ATOM 1528 O THR B 31 -6.487 -6.978 0.683 1.00 0.27 O ATOM 1529 CB THR B 31 -6.605 -4.026 2.583 1.00 0.20 C ATOM 1530 OG1 THR B 31 -7.308 -4.805 3.534 1.00 0.21 O ATOM 1531 CG2 THR B 31 -7.150 -2.595 2.571 1.00 0.20 C ATOM 0 H THR B 31 -8.827 -4.830 1.801 1.00 0.19 H new ATOM 0 HA THR B 31 -6.411 -3.983 0.426 1.00 0.21 H new ATOM 0 HB THR B 31 -5.547 -3.998 2.846 1.00 0.20 H new ATOM 0 HG1 THR B 31 -7.427 -5.714 3.188 1.00 0.21 H new ATOM 0 HG21 THR B 31 -7.022 -2.148 3.557 1.00 0.20 H new ATOM 0 HG22 THR B 31 -6.608 -2.005 1.832 1.00 0.20 H new ATOM 0 HG23 THR B 31 -8.209 -2.611 2.315 1.00 0.20 H new ATOM 1539 N SER B 32 -4.783 -5.945 1.622 1.00 0.27 N ATOM 1540 CA SER B 32 -3.940 -7.175 1.616 1.00 0.31 C ATOM 1541 C SER B 32 -4.170 -7.961 2.906 1.00 0.33 C ATOM 1542 O SER B 32 -5.275 -8.063 3.401 1.00 0.33 O ATOM 1543 CB SER B 32 -2.468 -6.776 1.526 1.00 0.33 C ATOM 1544 OG SER B 32 -1.692 -7.916 1.178 1.00 1.27 O ATOM 0 H SER B 32 -4.333 -5.120 2.019 1.00 0.27 H new ATOM 0 HA SER B 32 -4.208 -7.795 0.760 1.00 0.31 H new ATOM 0 HB2 SER B 32 -2.337 -5.991 0.781 1.00 0.33 H new ATOM 0 HB3 SER B 32 -2.131 -6.369 2.479 1.00 0.33 H new ATOM 0 HG SER B 32 -0.831 -7.626 0.810 1.00 1.27 H new ATOM 1550 N SER B 33 -3.125 -8.521 3.449 1.00 0.36 N ATOM 1551 CA SER B 33 -3.251 -9.313 4.710 1.00 0.40 C ATOM 1552 C SER B 33 -2.011 -9.080 5.570 1.00 0.40 C ATOM 1553 O SER B 33 -2.082 -9.019 6.782 1.00 0.42 O ATOM 1554 CB SER B 33 -3.337 -10.794 4.360 1.00 0.46 C ATOM 1555 OG SER B 33 -2.028 -11.296 4.123 1.00 0.48 O ATOM 0 H SER B 33 -2.179 -8.465 3.071 1.00 0.36 H new ATOM 0 HA SER B 33 -4.145 -9.005 5.253 1.00 0.40 H new ATOM 0 HB2 SER B 33 -3.809 -11.345 5.173 1.00 0.46 H new ATOM 0 HB3 SER B 33 -3.959 -10.935 3.476 1.00 0.46 H new ATOM 0 HG SER B 33 -2.079 -12.249 3.899 1.00 0.48 H new ATOM 1561 N LEU B 34 -0.876 -8.962 4.938 1.00 0.39 N ATOM 1562 CA LEU B 34 0.401 -8.739 5.680 1.00 0.39 C ATOM 1563 C LEU B 34 0.183 -7.761 6.835 1.00 0.37 C ATOM 1564 O LEU B 34 0.460 -8.062 7.980 1.00 0.40 O ATOM 1565 CB LEU B 34 1.449 -8.155 4.730 1.00 0.36 C ATOM 1566 CG LEU B 34 1.416 -8.893 3.391 1.00 0.39 C ATOM 1567 CD1 LEU B 34 2.584 -8.417 2.523 1.00 0.40 C ATOM 1568 CD2 LEU B 34 1.533 -10.402 3.630 1.00 0.45 C ATOM 0 H LEU B 34 -0.776 -9.011 3.924 1.00 0.39 H new ATOM 0 HA LEU B 34 0.744 -9.695 6.077 1.00 0.39 H new ATOM 0 HB2 LEU B 34 1.257 -7.093 4.573 1.00 0.36 H new ATOM 0 HB3 LEU B 34 2.441 -8.238 5.175 1.00 0.36 H new ATOM 0 HG LEU B 34 0.475 -8.684 2.883 1.00 0.39 H new ATOM 0 HD11 LEU B 34 2.564 -8.941 1.567 1.00 0.40 H new ATOM 0 HD12 LEU B 34 2.496 -7.344 2.351 1.00 0.40 H new ATOM 0 HD13 LEU B 34 3.525 -8.627 3.032 1.00 0.40 H new ATOM 0 HD21 LEU B 34 1.509 -10.925 2.674 1.00 0.45 H new ATOM 0 HD22 LEU B 34 2.473 -10.618 4.138 1.00 0.45 H new ATOM 0 HD23 LEU B 34 0.700 -10.738 4.248 1.00 0.45 H new ATOM 1580 N CYS B 35 -0.307 -6.592 6.541 1.00 0.33 N ATOM 1581 CA CYS B 35 -0.537 -5.594 7.620 1.00 0.34 C ATOM 1582 C CYS B 35 -1.689 -6.072 8.509 1.00 0.39 C ATOM 1583 O CYS B 35 -2.743 -6.437 8.036 1.00 0.39 O ATOM 1584 CB CYS B 35 -0.874 -4.233 7.000 1.00 0.32 C ATOM 1585 SG CYS B 35 -1.951 -4.461 5.562 1.00 0.40 S ATOM 0 H CYS B 35 -0.558 -6.284 5.602 1.00 0.33 H new ATOM 0 HA CYS B 35 0.363 -5.489 8.225 1.00 0.34 H new ATOM 0 HB2 CYS B 35 -1.367 -3.600 7.738 1.00 0.32 H new ATOM 0 HB3 CYS B 35 0.042 -3.722 6.702 1.00 0.32 H new ATOM 1590 N SER B 36 -1.480 -6.099 9.794 1.00 0.44 N ATOM 1591 CA SER B 36 -2.546 -6.570 10.727 1.00 0.51 C ATOM 1592 C SER B 36 -3.749 -5.613 10.729 1.00 0.51 C ATOM 1593 O SER B 36 -4.411 -5.465 11.738 1.00 0.58 O ATOM 1594 CB SER B 36 -1.972 -6.658 12.141 1.00 0.59 C ATOM 1595 OG SER B 36 -2.939 -7.241 13.003 1.00 1.41 O ATOM 0 H SER B 36 -0.610 -5.813 10.244 1.00 0.44 H new ATOM 0 HA SER B 36 -2.887 -7.549 10.392 1.00 0.51 H new ATOM 0 HB2 SER B 36 -1.061 -7.256 12.140 1.00 0.59 H new ATOM 0 HB3 SER B 36 -1.701 -5.665 12.499 1.00 0.59 H new ATOM 0 HG SER B 36 -3.815 -6.834 12.835 1.00 1.41 H new ATOM 1601 N GLN B 37 -4.053 -4.956 9.636 1.00 0.45 N ATOM 1602 CA GLN B 37 -5.226 -4.024 9.650 1.00 0.47 C ATOM 1603 C GLN B 37 -5.807 -3.848 8.239 1.00 0.36 C ATOM 1604 O GLN B 37 -5.760 -2.764 7.697 1.00 0.35 O ATOM 1605 CB GLN B 37 -4.783 -2.659 10.189 1.00 0.55 C ATOM 1606 CG GLN B 37 -3.478 -2.225 9.513 1.00 0.78 C ATOM 1607 CD GLN B 37 -3.033 -0.877 10.083 1.00 0.79 C ATOM 1608 OE1 GLN B 37 -2.908 -0.723 11.282 1.00 1.24 O ATOM 1609 NE2 GLN B 37 -2.790 0.113 9.269 1.00 1.48 N ATOM 0 H GLN B 37 -3.551 -5.021 8.750 1.00 0.45 H new ATOM 0 HA GLN B 37 -5.998 -4.450 10.291 1.00 0.47 H new ATOM 0 HB2 GLN B 37 -5.561 -1.917 10.006 1.00 0.55 H new ATOM 0 HB3 GLN B 37 -4.642 -2.714 11.268 1.00 0.55 H new ATOM 0 HG2 GLN B 37 -2.704 -2.975 9.677 1.00 0.78 H new ATOM 0 HG3 GLN B 37 -3.623 -2.147 8.435 1.00 0.78 H new ATOM 0 HE21 GLN B 37 -2.895 -0.017 8.263 1.00 1.48 H new ATOM 0 HE22 GLN B 37 -2.495 1.017 9.639 1.00 1.48 H new ATOM 1618 N PRO B 38 -6.362 -4.906 7.684 1.00 0.34 N ATOM 1619 CA PRO B 38 -6.973 -4.841 6.342 1.00 0.26 C ATOM 1620 C PRO B 38 -8.234 -3.967 6.404 1.00 0.25 C ATOM 1621 O PRO B 38 -8.619 -3.486 7.450 1.00 0.27 O ATOM 1622 CB PRO B 38 -7.326 -6.309 5.998 1.00 0.33 C ATOM 1623 CG PRO B 38 -7.062 -7.162 7.274 1.00 0.43 C ATOM 1624 CD PRO B 38 -6.421 -6.234 8.333 1.00 0.43 C ATOM 0 HA PRO B 38 -6.316 -4.404 5.590 1.00 0.26 H new ATOM 0 HB2 PRO B 38 -8.368 -6.391 5.690 1.00 0.33 H new ATOM 0 HB3 PRO B 38 -6.719 -6.665 5.166 1.00 0.33 H new ATOM 0 HG2 PRO B 38 -7.993 -7.586 7.650 1.00 0.43 H new ATOM 0 HG3 PRO B 38 -6.400 -7.997 7.046 1.00 0.43 H new ATOM 0 HD2 PRO B 38 -7.017 -6.203 9.245 1.00 0.43 H new ATOM 0 HD3 PRO B 38 -5.427 -6.582 8.614 1.00 0.43 H new ATOM 1632 N ALA B 39 -8.873 -3.765 5.290 1.00 0.23 N ATOM 1633 CA ALA B 39 -10.103 -2.936 5.265 1.00 0.22 C ATOM 1634 C ALA B 39 -10.766 -3.106 3.901 1.00 0.19 C ATOM 1635 O ALA B 39 -10.171 -3.630 2.981 1.00 0.22 O ATOM 1636 CB ALA B 39 -9.734 -1.466 5.482 1.00 0.23 C ATOM 0 H ALA B 39 -8.592 -4.144 4.386 1.00 0.23 H new ATOM 0 HA ALA B 39 -10.786 -3.248 6.055 1.00 0.22 H new ATOM 0 HB1 ALA B 39 -10.638 -0.857 5.464 1.00 0.23 H new ATOM 0 HB2 ALA B 39 -9.240 -1.353 6.447 1.00 0.23 H new ATOM 0 HB3 ALA B 39 -9.060 -1.139 4.690 1.00 0.23 H new ATOM 1642 N VAL B 40 -11.981 -2.652 3.748 1.00 0.15 N ATOM 1643 CA VAL B 40 -12.660 -2.775 2.423 1.00 0.13 C ATOM 1644 C VAL B 40 -12.510 -1.443 1.698 1.00 0.13 C ATOM 1645 O VAL B 40 -12.539 -0.390 2.305 1.00 0.18 O ATOM 1646 CB VAL B 40 -14.147 -3.099 2.622 1.00 0.12 C ATOM 1647 CG1 VAL B 40 -14.916 -2.841 1.321 1.00 0.12 C ATOM 1648 CG2 VAL B 40 -14.291 -4.572 2.998 1.00 0.16 C ATOM 0 H VAL B 40 -12.532 -2.203 4.479 1.00 0.15 H new ATOM 0 HA VAL B 40 -12.211 -3.579 1.840 1.00 0.13 H new ATOM 0 HB VAL B 40 -14.550 -2.467 3.413 1.00 0.12 H new ATOM 0 HG11 VAL B 40 -15.971 -3.073 1.470 1.00 0.12 H new ATOM 0 HG12 VAL B 40 -14.811 -1.794 1.038 1.00 0.12 H new ATOM 0 HG13 VAL B 40 -14.514 -3.473 0.529 1.00 0.12 H new ATOM 0 HG21 VAL B 40 -15.345 -4.810 3.141 1.00 0.16 H new ATOM 0 HG22 VAL B 40 -13.884 -5.193 2.200 1.00 0.16 H new ATOM 0 HG23 VAL B 40 -13.747 -4.767 3.922 1.00 0.16 H new ATOM 1658 N VAL B 41 -12.334 -1.486 0.405 1.00 0.15 N ATOM 1659 CA VAL B 41 -12.163 -0.228 -0.387 1.00 0.16 C ATOM 1660 C VAL B 41 -13.270 -0.131 -1.440 1.00 0.16 C ATOM 1661 O VAL B 41 -13.391 -0.970 -2.304 1.00 0.18 O ATOM 1662 CB VAL B 41 -10.792 -0.255 -1.068 1.00 0.21 C ATOM 1663 CG1 VAL B 41 -10.407 1.156 -1.507 1.00 0.25 C ATOM 1664 CG2 VAL B 41 -9.745 -0.777 -0.078 1.00 0.23 C ATOM 0 H VAL B 41 -12.301 -2.345 -0.144 1.00 0.15 H new ATOM 0 HA VAL B 41 -12.226 0.639 0.271 1.00 0.16 H new ATOM 0 HB VAL B 41 -10.835 -0.907 -1.940 1.00 0.21 H new ATOM 0 HG11 VAL B 41 -9.431 1.133 -1.991 1.00 0.25 H new ATOM 0 HG12 VAL B 41 -11.151 1.535 -2.208 1.00 0.25 H new ATOM 0 HG13 VAL B 41 -10.364 1.809 -0.635 1.00 0.25 H new ATOM 0 HG21 VAL B 41 -8.767 -0.798 -0.560 1.00 0.23 H new ATOM 0 HG22 VAL B 41 -9.707 -0.121 0.792 1.00 0.23 H new ATOM 0 HG23 VAL B 41 -10.015 -1.784 0.239 1.00 0.23 H new ATOM 1674 N PHE B 42 -14.090 0.885 -1.372 1.00 0.15 N ATOM 1675 CA PHE B 42 -15.196 1.020 -2.367 1.00 0.17 C ATOM 1676 C PHE B 42 -14.724 1.826 -3.579 1.00 0.21 C ATOM 1677 O PHE B 42 -14.114 2.868 -3.449 1.00 0.23 O ATOM 1678 CB PHE B 42 -16.383 1.744 -1.720 1.00 0.16 C ATOM 1679 CG PHE B 42 -17.121 0.803 -0.794 1.00 0.14 C ATOM 1680 CD1 PHE B 42 -17.777 -0.329 -1.316 1.00 0.14 C ATOM 1681 CD2 PHE B 42 -17.161 1.061 0.592 1.00 0.13 C ATOM 1682 CE1 PHE B 42 -18.469 -1.202 -0.457 1.00 0.14 C ATOM 1683 CE2 PHE B 42 -17.855 0.188 1.450 1.00 0.14 C ATOM 1684 CZ PHE B 42 -18.509 -0.943 0.926 1.00 0.14 C ATOM 0 H PHE B 42 -14.042 1.626 -0.672 1.00 0.15 H new ATOM 0 HA PHE B 42 -15.497 0.024 -2.691 1.00 0.17 H new ATOM 0 HB2 PHE B 42 -16.030 2.612 -1.164 1.00 0.16 H new ATOM 0 HB3 PHE B 42 -17.059 2.113 -2.491 1.00 0.16 H new ATOM 0 HD1 PHE B 42 -17.749 -0.527 -2.377 1.00 0.14 H new ATOM 0 HD2 PHE B 42 -16.659 1.928 0.995 1.00 0.13 H new ATOM 0 HE1 PHE B 42 -18.969 -2.071 -0.859 1.00 0.14 H new ATOM 0 HE2 PHE B 42 -17.886 0.386 2.511 1.00 0.14 H new ATOM 0 HZ PHE B 42 -19.042 -1.612 1.585 1.00 0.14 H new ATOM 1694 N GLN B 43 -15.032 1.358 -4.761 1.00 0.24 N ATOM 1695 CA GLN B 43 -14.641 2.093 -6.000 1.00 0.28 C ATOM 1696 C GLN B 43 -15.842 2.939 -6.427 1.00 0.30 C ATOM 1697 O GLN B 43 -16.926 2.419 -6.620 1.00 0.30 O ATOM 1698 CB GLN B 43 -14.289 1.078 -7.090 1.00 0.32 C ATOM 1699 CG GLN B 43 -13.040 0.296 -6.679 1.00 0.32 C ATOM 1700 CD GLN B 43 -12.899 -0.944 -7.564 1.00 0.58 C ATOM 1701 OE1 GLN B 43 -13.497 -1.967 -7.297 1.00 1.29 O ATOM 1702 NE2 GLN B 43 -12.128 -0.895 -8.617 1.00 1.31 N ATOM 0 H GLN B 43 -15.543 0.490 -4.922 1.00 0.24 H new ATOM 0 HA GLN B 43 -13.775 2.732 -5.829 1.00 0.28 H new ATOM 0 HB2 GLN B 43 -15.123 0.394 -7.247 1.00 0.32 H new ATOM 0 HB3 GLN B 43 -14.114 1.591 -8.036 1.00 0.32 H new ATOM 0 HG2 GLN B 43 -12.156 0.926 -6.774 1.00 0.32 H new ATOM 0 HG3 GLN B 43 -13.110 0.002 -5.632 1.00 0.32 H new ATOM 0 HE21 GLN B 43 -11.626 -0.036 -8.842 1.00 1.31 H new ATOM 0 HE22 GLN B 43 -12.028 -1.715 -9.215 1.00 1.31 H new ATOM 1711 N THR B 44 -15.686 4.246 -6.529 1.00 0.32 N ATOM 1712 CA THR B 44 -16.868 5.109 -6.886 1.00 0.34 C ATOM 1713 C THR B 44 -16.879 5.483 -8.367 1.00 0.39 C ATOM 1714 O THR B 44 -16.336 4.795 -9.209 1.00 0.41 O ATOM 1715 CB THR B 44 -16.825 6.395 -6.064 1.00 0.34 C ATOM 1716 OG1 THR B 44 -15.937 7.312 -6.681 1.00 0.38 O ATOM 1717 CG2 THR B 44 -16.336 6.080 -4.649 1.00 0.29 C ATOM 0 H THR B 44 -14.808 4.744 -6.383 1.00 0.32 H new ATOM 0 HA THR B 44 -17.768 4.534 -6.669 1.00 0.34 H new ATOM 0 HB THR B 44 -17.823 6.831 -6.011 1.00 0.34 H new ATOM 0 HG1 THR B 44 -16.291 8.221 -6.591 1.00 0.38 H new ATOM 0 HG21 THR B 44 -16.305 6.998 -4.062 1.00 0.29 H new ATOM 0 HG22 THR B 44 -17.017 5.371 -4.178 1.00 0.29 H new ATOM 0 HG23 THR B 44 -15.337 5.647 -4.697 1.00 0.29 H new ATOM 1725 N LYS B 45 -17.527 6.583 -8.678 1.00 0.43 N ATOM 1726 CA LYS B 45 -17.634 7.054 -10.093 1.00 0.48 C ATOM 1727 C LYS B 45 -16.878 8.374 -10.270 1.00 0.51 C ATOM 1728 O LYS B 45 -16.404 8.682 -11.345 1.00 0.56 O ATOM 1729 CB LYS B 45 -19.106 7.298 -10.423 1.00 0.50 C ATOM 1730 CG LYS B 45 -19.933 6.075 -10.029 1.00 0.46 C ATOM 1731 CD LYS B 45 -21.415 6.352 -10.304 1.00 0.49 C ATOM 1732 CE LYS B 45 -22.176 5.030 -10.366 1.00 0.54 C ATOM 1733 NZ LYS B 45 -22.074 4.333 -9.053 1.00 1.55 N ATOM 0 H LYS B 45 -17.993 7.182 -7.997 1.00 0.43 H new ATOM 0 HA LYS B 45 -17.208 6.297 -10.752 1.00 0.48 H new ATOM 0 HB2 LYS B 45 -19.466 8.179 -9.892 1.00 0.50 H new ATOM 0 HB3 LYS B 45 -19.221 7.499 -11.488 1.00 0.50 H new ATOM 0 HG2 LYS B 45 -19.604 5.203 -10.594 1.00 0.46 H new ATOM 0 HG3 LYS B 45 -19.784 5.846 -8.974 1.00 0.46 H new ATOM 0 HD2 LYS B 45 -21.829 6.986 -9.520 1.00 0.49 H new ATOM 0 HD3 LYS B 45 -21.527 6.893 -11.244 1.00 0.49 H new ATOM 0 HE2 LYS B 45 -23.222 5.212 -10.612 1.00 0.54 H new ATOM 0 HE3 LYS B 45 -21.767 4.400 -11.156 1.00 0.54 H new ATOM 0 HZ1 LYS B 45 -21.679 3.381 -9.195 1.00 1.55 H new ATOM 0 HZ2 LYS B 45 -21.452 4.875 -8.420 1.00 1.55 H new ATOM 0 HZ3 LYS B 45 -23.019 4.255 -8.627 1.00 1.55 H new ATOM 1747 N ARG B 46 -16.778 9.167 -9.224 1.00 0.50 N ATOM 1748 CA ARG B 46 -16.069 10.487 -9.323 1.00 0.54 C ATOM 1749 C ARG B 46 -14.898 10.491 -8.339 1.00 0.49 C ATOM 1750 O ARG B 46 -14.689 11.422 -7.594 1.00 0.48 O ATOM 1751 CB ARG B 46 -17.064 11.618 -8.983 1.00 0.59 C ATOM 1752 CG ARG B 46 -16.600 12.976 -9.569 1.00 0.72 C ATOM 1753 CD ARG B 46 -15.575 13.673 -8.653 1.00 0.92 C ATOM 1754 NE ARG B 46 -15.694 15.158 -8.814 1.00 1.48 N ATOM 1755 CZ ARG B 46 -15.678 15.717 -9.996 1.00 2.13 C ATOM 1756 NH1 ARG B 46 -15.351 15.026 -11.052 1.00 2.62 N ATOM 1757 NH2 ARG B 46 -15.930 16.993 -10.110 1.00 2.82 N ATOM 0 H ARG B 46 -17.159 8.955 -8.302 1.00 0.50 H new ATOM 0 HA ARG B 46 -15.688 10.643 -10.332 1.00 0.54 H new ATOM 0 HB2 ARG B 46 -18.049 11.368 -9.376 1.00 0.59 H new ATOM 0 HB3 ARG B 46 -17.165 11.703 -7.901 1.00 0.59 H new ATOM 0 HG2 ARG B 46 -16.159 12.816 -10.553 1.00 0.72 H new ATOM 0 HG3 ARG B 46 -17.464 13.626 -9.709 1.00 0.72 H new ATOM 0 HD2 ARG B 46 -15.750 13.393 -7.614 1.00 0.92 H new ATOM 0 HD3 ARG B 46 -14.565 13.348 -8.905 1.00 0.92 H new ATOM 0 HE ARG B 46 -15.789 15.745 -7.985 1.00 1.48 H new ATOM 0 HH11 ARG B 46 -15.105 14.040 -10.960 1.00 2.62 H new ATOM 0 HH12 ARG B 46 -15.341 15.471 -11.970 1.00 2.62 H new ATOM 0 HH21 ARG B 46 -16.138 17.548 -9.280 1.00 2.82 H new ATOM 0 HH22 ARG B 46 -15.919 17.435 -11.029 1.00 2.82 H new ATOM 1771 N SER B 47 -14.126 9.447 -8.342 1.00 0.46 N ATOM 1772 CA SER B 47 -12.961 9.373 -7.433 1.00 0.42 C ATOM 1773 C SER B 47 -12.090 8.211 -7.887 1.00 0.42 C ATOM 1774 O SER B 47 -11.613 8.176 -9.004 1.00 0.46 O ATOM 1775 CB SER B 47 -13.422 9.173 -5.984 1.00 0.38 C ATOM 1776 OG SER B 47 -13.886 7.844 -5.805 1.00 1.07 O ATOM 0 H SER B 47 -14.256 8.633 -8.943 1.00 0.46 H new ATOM 0 HA SER B 47 -12.393 10.303 -7.468 1.00 0.42 H new ATOM 0 HB2 SER B 47 -12.598 9.375 -5.300 1.00 0.38 H new ATOM 0 HB3 SER B 47 -14.216 9.880 -5.745 1.00 0.38 H new ATOM 0 HG SER B 47 -14.738 7.729 -6.276 1.00 1.07 H new ATOM 1782 N LYS B 48 -11.894 7.255 -7.045 1.00 0.38 N ATOM 1783 CA LYS B 48 -11.077 6.085 -7.420 1.00 0.40 C ATOM 1784 C LYS B 48 -11.407 4.961 -6.448 1.00 0.35 C ATOM 1785 O LYS B 48 -12.175 4.069 -6.750 1.00 0.34 O ATOM 1786 CB LYS B 48 -9.589 6.450 -7.350 1.00 0.44 C ATOM 1787 CG LYS B 48 -8.779 5.434 -8.153 1.00 1.11 C ATOM 1788 CD LYS B 48 -7.292 5.582 -7.820 1.00 1.38 C ATOM 1789 CE LYS B 48 -6.854 7.028 -8.063 1.00 2.13 C ATOM 1790 NZ LYS B 48 -7.475 7.532 -9.320 1.00 2.73 N ATOM 0 H LYS B 48 -12.270 7.232 -6.097 1.00 0.38 H new ATOM 0 HA LYS B 48 -11.294 5.767 -8.440 1.00 0.40 H new ATOM 0 HB2 LYS B 48 -9.430 7.453 -7.746 1.00 0.44 H new ATOM 0 HB3 LYS B 48 -9.254 6.460 -6.313 1.00 0.44 H new ATOM 0 HG2 LYS B 48 -9.114 4.423 -7.922 1.00 1.11 H new ATOM 0 HG3 LYS B 48 -8.940 5.588 -9.220 1.00 1.11 H new ATOM 0 HD2 LYS B 48 -7.112 5.307 -6.781 1.00 1.38 H new ATOM 0 HD3 LYS B 48 -6.702 4.904 -8.436 1.00 1.38 H new ATOM 0 HE2 LYS B 48 -7.150 7.655 -7.222 1.00 2.13 H new ATOM 0 HE3 LYS B 48 -5.768 7.083 -8.134 1.00 2.13 H new ATOM 0 HZ1 LYS B 48 -6.910 8.321 -9.694 1.00 2.73 H new ATOM 0 HZ2 LYS B 48 -7.508 6.766 -10.022 1.00 2.73 H new ATOM 0 HZ3 LYS B 48 -8.441 7.862 -9.122 1.00 2.73 H new ATOM 1804 N GLN B 49 -10.855 5.023 -5.266 1.00 0.33 N ATOM 1805 CA GLN B 49 -11.133 3.984 -4.236 1.00 0.30 C ATOM 1806 C GLN B 49 -11.219 4.677 -2.867 1.00 0.25 C ATOM 1807 O GLN B 49 -10.549 5.662 -2.617 1.00 0.26 O ATOM 1808 CB GLN B 49 -10.009 2.917 -4.242 1.00 0.35 C ATOM 1809 CG GLN B 49 -9.218 2.987 -5.553 1.00 0.82 C ATOM 1810 CD GLN B 49 -8.148 1.893 -5.561 1.00 0.89 C ATOM 1811 OE1 GLN B 49 -8.327 0.849 -4.966 1.00 1.53 O ATOM 1812 NE2 GLN B 49 -7.037 2.088 -6.216 1.00 1.52 N ATOM 0 H GLN B 49 -10.215 5.759 -4.968 1.00 0.33 H new ATOM 0 HA GLN B 49 -12.074 3.478 -4.451 1.00 0.30 H new ATOM 0 HB2 GLN B 49 -9.340 3.078 -3.397 1.00 0.35 H new ATOM 0 HB3 GLN B 49 -10.441 1.923 -4.122 1.00 0.35 H new ATOM 0 HG2 GLN B 49 -9.889 2.861 -6.403 1.00 0.82 H new ATOM 0 HG3 GLN B 49 -8.752 3.967 -5.658 1.00 0.82 H new ATOM 0 HE21 GLN B 49 -6.887 2.964 -6.716 1.00 1.52 H new ATOM 0 HE22 GLN B 49 -6.319 1.364 -6.229 1.00 1.52 H new ATOM 1821 N VAL B 50 -12.048 4.177 -1.988 1.00 0.23 N ATOM 1822 CA VAL B 50 -12.196 4.802 -0.637 1.00 0.19 C ATOM 1823 C VAL B 50 -12.188 3.708 0.424 1.00 0.16 C ATOM 1824 O VAL B 50 -12.949 2.768 0.359 1.00 0.15 O ATOM 1825 CB VAL B 50 -13.524 5.566 -0.578 1.00 0.22 C ATOM 1826 CG1 VAL B 50 -13.532 6.484 0.646 1.00 0.24 C ATOM 1827 CG2 VAL B 50 -13.688 6.401 -1.858 1.00 0.31 C ATOM 0 H VAL B 50 -12.633 3.357 -2.148 1.00 0.23 H new ATOM 0 HA VAL B 50 -11.372 5.491 -0.455 1.00 0.19 H new ATOM 0 HB VAL B 50 -14.350 4.859 -0.500 1.00 0.22 H new ATOM 0 HG11 VAL B 50 -14.476 7.027 0.687 1.00 0.24 H new ATOM 0 HG12 VAL B 50 -13.417 5.886 1.550 1.00 0.24 H new ATOM 0 HG13 VAL B 50 -12.708 7.194 0.574 1.00 0.24 H new ATOM 0 HG21 VAL B 50 -14.632 6.945 -1.819 1.00 0.31 H new ATOM 0 HG22 VAL B 50 -12.863 7.109 -1.938 1.00 0.31 H new ATOM 0 HG23 VAL B 50 -13.686 5.741 -2.726 1.00 0.31 H new ATOM 1837 N CYS B 51 -11.334 3.826 1.403 1.00 0.16 N ATOM 1838 CA CYS B 51 -11.266 2.787 2.465 1.00 0.15 C ATOM 1839 C CYS B 51 -12.497 2.893 3.363 1.00 0.14 C ATOM 1840 O CYS B 51 -13.077 3.949 3.519 1.00 0.16 O ATOM 1841 CB CYS B 51 -10.002 3.008 3.299 1.00 0.17 C ATOM 1842 SG CYS B 51 -8.541 2.784 2.254 1.00 0.21 S ATOM 0 H CYS B 51 -10.679 4.600 1.512 1.00 0.16 H new ATOM 0 HA CYS B 51 -11.238 1.797 2.010 1.00 0.15 H new ATOM 0 HB2 CYS B 51 -10.006 4.011 3.726 1.00 0.17 H new ATOM 0 HB3 CYS B 51 -9.977 2.307 4.133 1.00 0.17 H new ATOM 1847 N ALA B 52 -12.908 1.797 3.946 1.00 0.12 N ATOM 1848 CA ALA B 52 -14.114 1.819 4.827 1.00 0.13 C ATOM 1849 C ALA B 52 -13.914 0.854 5.997 1.00 0.15 C ATOM 1850 O ALA B 52 -13.445 -0.257 5.826 1.00 0.15 O ATOM 1851 CB ALA B 52 -15.336 1.377 4.019 1.00 0.11 C ATOM 0 H ALA B 52 -12.460 0.886 3.850 1.00 0.12 H new ATOM 0 HA ALA B 52 -14.265 2.829 5.209 1.00 0.13 H new ATOM 0 HB1 ALA B 52 -16.219 1.391 4.658 1.00 0.11 H new ATOM 0 HB2 ALA B 52 -15.483 2.058 3.181 1.00 0.11 H new ATOM 0 HB3 ALA B 52 -15.177 0.367 3.642 1.00 0.11 H new ATOM 1857 N ASP B 53 -14.269 1.270 7.182 1.00 0.18 N ATOM 1858 CA ASP B 53 -14.107 0.385 8.369 1.00 0.22 C ATOM 1859 C ASP B 53 -15.100 -0.799 8.262 1.00 0.21 C ATOM 1860 O ASP B 53 -16.293 -0.567 8.269 1.00 0.22 O ATOM 1861 CB ASP B 53 -14.435 1.190 9.630 1.00 0.27 C ATOM 1862 CG ASP B 53 -13.322 2.207 9.890 1.00 1.35 C ATOM 1863 OD1 ASP B 53 -12.359 1.848 10.547 1.00 2.17 O ATOM 1864 OD2 ASP B 53 -13.451 3.328 9.426 1.00 2.10 O ATOM 0 H ASP B 53 -14.666 2.189 7.379 1.00 0.18 H new ATOM 0 HA ASP B 53 -13.085 0.008 8.414 1.00 0.22 H new ATOM 0 HB2 ASP B 53 -15.389 1.702 9.509 1.00 0.27 H new ATOM 0 HB3 ASP B 53 -14.538 0.521 10.485 1.00 0.27 H new ATOM 1869 N PRO B 54 -14.622 -2.035 8.165 1.00 0.22 N ATOM 1870 CA PRO B 54 -15.540 -3.190 8.060 1.00 0.24 C ATOM 1871 C PRO B 54 -16.435 -3.266 9.306 1.00 0.28 C ATOM 1872 O PRO B 54 -17.340 -4.074 9.384 1.00 0.30 O ATOM 1873 CB PRO B 54 -14.621 -4.430 7.963 1.00 0.27 C ATOM 1874 CG PRO B 54 -13.149 -3.927 7.992 1.00 0.27 C ATOM 1875 CD PRO B 54 -13.183 -2.392 8.149 1.00 0.24 C ATOM 0 HA PRO B 54 -16.204 -3.116 7.199 1.00 0.24 H new ATOM 0 HB2 PRO B 54 -14.809 -5.112 8.792 1.00 0.27 H new ATOM 0 HB3 PRO B 54 -14.819 -4.983 7.045 1.00 0.27 H new ATOM 0 HG2 PRO B 54 -12.604 -4.384 8.818 1.00 0.27 H new ATOM 0 HG3 PRO B 54 -12.631 -4.207 7.075 1.00 0.27 H new ATOM 0 HD2 PRO B 54 -12.689 -2.079 9.069 1.00 0.24 H new ATOM 0 HD3 PRO B 54 -12.664 -1.900 7.326 1.00 0.24 H new ATOM 1883 N SER B 55 -16.179 -2.443 10.281 1.00 0.31 N ATOM 1884 CA SER B 55 -17.000 -2.479 11.525 1.00 0.36 C ATOM 1885 C SER B 55 -18.351 -1.800 11.281 1.00 0.36 C ATOM 1886 O SER B 55 -19.293 -1.998 12.022 1.00 0.40 O ATOM 1887 CB SER B 55 -16.257 -1.747 12.643 1.00 0.40 C ATOM 1888 OG SER B 55 -15.881 -0.454 12.189 1.00 1.42 O ATOM 0 H SER B 55 -15.436 -1.745 10.272 1.00 0.31 H new ATOM 0 HA SER B 55 -17.169 -3.517 11.813 1.00 0.36 H new ATOM 0 HB2 SER B 55 -16.893 -1.665 13.525 1.00 0.40 H new ATOM 0 HB3 SER B 55 -15.373 -2.312 12.939 1.00 0.40 H new ATOM 0 HG SER B 55 -15.406 0.018 12.904 1.00 1.42 H new ATOM 1894 N GLU B 56 -18.460 -1.005 10.251 1.00 0.33 N ATOM 1895 CA GLU B 56 -19.761 -0.327 9.974 1.00 0.33 C ATOM 1896 C GLU B 56 -20.692 -1.303 9.245 1.00 0.33 C ATOM 1897 O GLU B 56 -20.401 -1.780 8.165 1.00 0.29 O ATOM 1898 CB GLU B 56 -19.523 0.913 9.111 1.00 0.31 C ATOM 1899 CG GLU B 56 -19.025 2.068 9.986 1.00 0.35 C ATOM 1900 CD GLU B 56 -18.483 3.189 9.097 1.00 1.30 C ATOM 1901 OE1 GLU B 56 -17.592 2.914 8.309 1.00 2.01 O ATOM 1902 OE2 GLU B 56 -18.967 4.301 9.218 1.00 2.08 O ATOM 0 H GLU B 56 -17.710 -0.796 9.592 1.00 0.33 H new ATOM 0 HA GLU B 56 -20.222 -0.019 10.913 1.00 0.33 H new ATOM 0 HB2 GLU B 56 -18.791 0.691 8.334 1.00 0.31 H new ATOM 0 HB3 GLU B 56 -20.446 1.199 8.607 1.00 0.31 H new ATOM 0 HG2 GLU B 56 -19.838 2.444 10.607 1.00 0.35 H new ATOM 0 HG3 GLU B 56 -18.245 1.716 10.661 1.00 0.35 H new ATOM 1909 N SER B 57 -21.801 -1.609 9.851 1.00 0.37 N ATOM 1910 CA SER B 57 -22.771 -2.563 9.245 1.00 0.38 C ATOM 1911 C SER B 57 -23.086 -2.197 7.792 1.00 0.35 C ATOM 1912 O SER B 57 -23.240 -3.062 6.953 1.00 0.34 O ATOM 1913 CB SER B 57 -24.064 -2.548 10.058 1.00 0.44 C ATOM 1914 OG SER B 57 -25.101 -3.163 9.305 1.00 1.37 O ATOM 0 H SER B 57 -22.083 -1.233 10.756 1.00 0.37 H new ATOM 0 HA SER B 57 -22.323 -3.557 9.256 1.00 0.38 H new ATOM 0 HB2 SER B 57 -23.921 -3.077 11.000 1.00 0.44 H new ATOM 0 HB3 SER B 57 -24.339 -1.523 10.307 1.00 0.44 H new ATOM 0 HG SER B 57 -25.931 -3.156 9.825 1.00 1.37 H new ATOM 1920 N TRP B 58 -23.212 -0.935 7.477 1.00 0.34 N ATOM 1921 CA TRP B 58 -23.546 -0.576 6.071 1.00 0.32 C ATOM 1922 C TRP B 58 -22.442 -1.061 5.139 1.00 0.27 C ATOM 1923 O TRP B 58 -22.690 -1.421 4.009 1.00 0.27 O ATOM 1924 CB TRP B 58 -23.774 0.937 5.930 1.00 0.34 C ATOM 1925 CG TRP B 58 -22.483 1.697 5.915 1.00 0.31 C ATOM 1926 CD1 TRP B 58 -22.014 2.439 6.945 1.00 0.32 C ATOM 1927 CD2 TRP B 58 -21.512 1.838 4.835 1.00 0.27 C ATOM 1928 NE1 TRP B 58 -20.819 3.027 6.569 1.00 0.29 N ATOM 1929 CE2 TRP B 58 -20.461 2.683 5.284 1.00 0.26 C ATOM 1930 CE3 TRP B 58 -21.434 1.318 3.521 1.00 0.27 C ATOM 1931 CZ2 TRP B 58 -19.373 3.003 4.460 1.00 0.25 C ATOM 1932 CZ3 TRP B 58 -20.340 1.638 2.688 1.00 0.27 C ATOM 1933 CH2 TRP B 58 -19.311 2.478 3.159 1.00 0.26 C ATOM 0 H TRP B 58 -23.100 -0.151 8.120 1.00 0.34 H new ATOM 0 HA TRP B 58 -24.476 -1.070 5.791 1.00 0.32 H new ATOM 0 HB2 TRP B 58 -24.324 1.137 5.010 1.00 0.34 H new ATOM 0 HB3 TRP B 58 -24.393 1.289 6.755 1.00 0.34 H new ATOM 0 HD1 TRP B 58 -22.495 2.554 7.905 1.00 0.32 H new ATOM 0 HE1 TRP B 58 -20.270 3.641 7.171 1.00 0.29 H new ATOM 0 HE3 TRP B 58 -22.217 0.672 3.153 1.00 0.27 H new ATOM 0 HZ2 TRP B 58 -18.588 3.649 4.823 1.00 0.25 H new ATOM 0 HZ3 TRP B 58 -20.291 1.238 1.686 1.00 0.27 H new ATOM 0 HH2 TRP B 58 -18.475 2.718 2.519 1.00 0.26 H new ATOM 1944 N VAL B 59 -21.230 -1.107 5.604 1.00 0.24 N ATOM 1945 CA VAL B 59 -20.138 -1.598 4.726 1.00 0.20 C ATOM 1946 C VAL B 59 -20.412 -3.060 4.404 1.00 0.22 C ATOM 1947 O VAL B 59 -20.316 -3.485 3.271 1.00 0.21 O ATOM 1948 CB VAL B 59 -18.803 -1.462 5.454 1.00 0.19 C ATOM 1949 CG1 VAL B 59 -17.677 -2.029 4.585 1.00 0.18 C ATOM 1950 CG2 VAL B 59 -18.549 0.018 5.728 1.00 0.19 C ATOM 0 H VAL B 59 -20.949 -0.829 6.544 1.00 0.24 H new ATOM 0 HA VAL B 59 -20.094 -1.017 3.805 1.00 0.20 H new ATOM 0 HB VAL B 59 -18.833 -2.016 6.392 1.00 0.19 H new ATOM 0 HG11 VAL B 59 -16.727 -1.929 5.110 1.00 0.18 H new ATOM 0 HG12 VAL B 59 -17.870 -3.082 4.381 1.00 0.18 H new ATOM 0 HG13 VAL B 59 -17.631 -1.480 3.645 1.00 0.18 H new ATOM 0 HG21 VAL B 59 -17.598 0.134 6.248 1.00 0.19 H new ATOM 0 HG22 VAL B 59 -18.515 0.562 4.784 1.00 0.19 H new ATOM 0 HG23 VAL B 59 -19.352 0.416 6.348 1.00 0.19 H new ATOM 1960 N GLN B 60 -20.781 -3.827 5.387 1.00 0.25 N ATOM 1961 CA GLN B 60 -21.090 -5.258 5.122 1.00 0.28 C ATOM 1962 C GLN B 60 -22.326 -5.341 4.220 1.00 0.30 C ATOM 1963 O GLN B 60 -22.431 -6.199 3.366 1.00 0.31 O ATOM 1964 CB GLN B 60 -21.367 -5.979 6.444 1.00 0.33 C ATOM 1965 CG GLN B 60 -21.560 -7.474 6.179 1.00 1.25 C ATOM 1966 CD GLN B 60 -21.855 -8.192 7.498 1.00 1.65 C ATOM 1967 OE1 GLN B 60 -22.992 -8.503 7.793 1.00 2.33 O ATOM 1968 NE2 GLN B 60 -20.871 -8.469 8.310 1.00 2.14 N ATOM 0 H GLN B 60 -20.882 -3.529 6.357 1.00 0.25 H new ATOM 0 HA GLN B 60 -20.242 -5.733 4.629 1.00 0.28 H new ATOM 0 HB2 GLN B 60 -20.538 -5.825 7.135 1.00 0.33 H new ATOM 0 HB3 GLN B 60 -22.257 -5.565 6.917 1.00 0.33 H new ATOM 0 HG2 GLN B 60 -22.380 -7.627 5.478 1.00 1.25 H new ATOM 0 HG3 GLN B 60 -20.665 -7.891 5.718 1.00 1.25 H new ATOM 0 HE21 GLN B 60 -19.917 -8.208 8.062 1.00 2.14 H new ATOM 0 HE22 GLN B 60 -21.057 -8.946 9.192 1.00 2.14 H new ATOM 1977 N GLU B 61 -23.265 -4.452 4.412 1.00 0.31 N ATOM 1978 CA GLU B 61 -24.502 -4.468 3.577 1.00 0.33 C ATOM 1979 C GLU B 61 -24.158 -4.151 2.120 1.00 0.31 C ATOM 1980 O GLU B 61 -24.529 -4.870 1.214 1.00 0.32 O ATOM 1981 CB GLU B 61 -25.483 -3.420 4.107 1.00 0.35 C ATOM 1982 CG GLU B 61 -26.856 -3.635 3.465 1.00 0.40 C ATOM 1983 CD GLU B 61 -27.859 -2.647 4.064 1.00 1.29 C ATOM 1984 OE1 GLU B 61 -27.703 -1.460 3.831 1.00 1.99 O ATOM 1985 OE2 GLU B 61 -28.767 -3.096 4.745 1.00 2.03 O ATOM 0 H GLU B 61 -23.228 -3.713 5.114 1.00 0.31 H new ATOM 0 HA GLU B 61 -24.955 -5.458 3.628 1.00 0.33 H new ATOM 0 HB2 GLU B 61 -25.561 -3.495 5.192 1.00 0.35 H new ATOM 0 HB3 GLU B 61 -25.118 -2.418 3.882 1.00 0.35 H new ATOM 0 HG2 GLU B 61 -26.791 -3.495 2.386 1.00 0.40 H new ATOM 0 HG3 GLU B 61 -27.192 -4.658 3.634 1.00 0.40 H new ATOM 1992 N TYR B 62 -23.458 -3.076 1.886 1.00 0.28 N ATOM 1993 CA TYR B 62 -23.096 -2.710 0.486 1.00 0.28 C ATOM 1994 C TYR B 62 -22.243 -3.822 -0.133 1.00 0.28 C ATOM 1995 O TYR B 62 -22.355 -4.116 -1.307 1.00 0.30 O ATOM 1996 CB TYR B 62 -22.305 -1.391 0.483 1.00 0.25 C ATOM 1997 CG TYR B 62 -23.250 -0.204 0.554 1.00 0.27 C ATOM 1998 CD1 TYR B 62 -24.179 -0.092 1.609 1.00 0.29 C ATOM 1999 CD2 TYR B 62 -23.192 0.800 -0.437 1.00 0.27 C ATOM 2000 CE1 TYR B 62 -25.047 1.017 1.670 1.00 0.32 C ATOM 2001 CE2 TYR B 62 -24.059 1.905 -0.375 1.00 0.29 C ATOM 2002 CZ TYR B 62 -24.987 2.014 0.678 1.00 0.31 C ATOM 2003 OH TYR B 62 -25.837 3.100 0.736 1.00 0.34 O ATOM 0 H TYR B 62 -23.120 -2.434 2.603 1.00 0.28 H new ATOM 0 HA TYR B 62 -24.007 -2.585 -0.100 1.00 0.28 H new ATOM 0 HB2 TYR B 62 -21.620 -1.369 1.330 1.00 0.25 H new ATOM 0 HB3 TYR B 62 -21.698 -1.326 -0.420 1.00 0.25 H new ATOM 0 HD1 TYR B 62 -24.225 -0.856 2.371 1.00 0.29 H new ATOM 0 HD2 TYR B 62 -22.480 0.719 -1.245 1.00 0.27 H new ATOM 0 HE1 TYR B 62 -25.758 1.102 2.478 1.00 0.32 H new ATOM 0 HE2 TYR B 62 -24.013 2.671 -1.135 1.00 0.29 H new ATOM 0 HH TYR B 62 -25.662 3.693 -0.024 1.00 0.34 H new ATOM 2013 N VAL B 63 -21.402 -4.449 0.640 1.00 0.27 N ATOM 2014 CA VAL B 63 -20.563 -5.541 0.080 1.00 0.28 C ATOM 2015 C VAL B 63 -21.483 -6.684 -0.324 1.00 0.32 C ATOM 2016 O VAL B 63 -21.304 -7.314 -1.345 1.00 0.34 O ATOM 2017 CB VAL B 63 -19.570 -6.019 1.144 1.00 0.28 C ATOM 2018 CG1 VAL B 63 -18.892 -7.313 0.681 1.00 0.32 C ATOM 2019 CG2 VAL B 63 -18.506 -4.939 1.367 1.00 0.25 C ATOM 0 H VAL B 63 -21.260 -4.253 1.631 1.00 0.27 H new ATOM 0 HA VAL B 63 -20.003 -5.188 -0.786 1.00 0.28 H new ATOM 0 HB VAL B 63 -20.104 -6.208 2.075 1.00 0.28 H new ATOM 0 HG11 VAL B 63 -18.187 -7.647 1.442 1.00 0.32 H new ATOM 0 HG12 VAL B 63 -19.647 -8.083 0.523 1.00 0.32 H new ATOM 0 HG13 VAL B 63 -18.359 -7.131 -0.252 1.00 0.32 H new ATOM 0 HG21 VAL B 63 -17.798 -5.277 2.124 1.00 0.25 H new ATOM 0 HG22 VAL B 63 -17.977 -4.751 0.433 1.00 0.25 H new ATOM 0 HG23 VAL B 63 -18.986 -4.020 1.703 1.00 0.25 H new ATOM 2029 N TYR B 64 -22.475 -6.945 0.475 1.00 0.34 N ATOM 2030 CA TYR B 64 -23.418 -8.042 0.150 1.00 0.38 C ATOM 2031 C TYR B 64 -24.127 -7.718 -1.163 1.00 0.39 C ATOM 2032 O TYR B 64 -24.302 -8.562 -2.017 1.00 0.41 O ATOM 2033 CB TYR B 64 -24.452 -8.165 1.275 1.00 0.41 C ATOM 2034 CG TYR B 64 -25.130 -9.514 1.202 1.00 0.46 C ATOM 2035 CD1 TYR B 64 -24.461 -10.664 1.666 1.00 0.48 C ATOM 2036 CD2 TYR B 64 -26.431 -9.622 0.673 1.00 0.49 C ATOM 2037 CE1 TYR B 64 -25.093 -11.920 1.598 1.00 0.52 C ATOM 2038 CE2 TYR B 64 -27.061 -10.879 0.605 1.00 0.54 C ATOM 2039 CZ TYR B 64 -26.393 -12.028 1.068 1.00 0.55 C ATOM 2040 OH TYR B 64 -27.010 -13.260 1.001 1.00 0.60 O ATOM 0 H TYR B 64 -22.673 -6.444 1.341 1.00 0.34 H new ATOM 0 HA TYR B 64 -22.876 -8.982 0.049 1.00 0.38 H new ATOM 0 HB2 TYR B 64 -23.966 -8.044 2.243 1.00 0.41 H new ATOM 0 HB3 TYR B 64 -25.193 -7.370 1.189 1.00 0.41 H new ATOM 0 HD1 TYR B 64 -23.464 -10.582 2.073 1.00 0.48 H new ATOM 0 HD2 TYR B 64 -26.945 -8.740 0.320 1.00 0.49 H new ATOM 0 HE1 TYR B 64 -24.580 -12.802 1.953 1.00 0.52 H new ATOM 0 HE2 TYR B 64 -28.058 -10.962 0.197 1.00 0.54 H new ATOM 0 HH TYR B 64 -27.903 -13.158 0.611 1.00 0.60 H new ATOM 2050 N ASP B 65 -24.533 -6.492 -1.320 1.00 0.36 N ATOM 2051 CA ASP B 65 -25.235 -6.088 -2.570 1.00 0.37 C ATOM 2052 C ASP B 65 -24.299 -6.278 -3.766 1.00 0.37 C ATOM 2053 O ASP B 65 -24.721 -6.623 -4.852 1.00 0.40 O ATOM 2054 CB ASP B 65 -25.640 -4.614 -2.461 1.00 0.35 C ATOM 2055 CG ASP B 65 -26.902 -4.485 -1.605 1.00 0.39 C ATOM 2056 OD1 ASP B 65 -27.160 -5.386 -0.824 1.00 1.11 O ATOM 2057 OD2 ASP B 65 -27.590 -3.488 -1.746 1.00 1.15 O ATOM 0 H ASP B 65 -24.409 -5.747 -0.634 1.00 0.36 H new ATOM 0 HA ASP B 65 -26.124 -6.703 -2.710 1.00 0.37 H new ATOM 0 HB2 ASP B 65 -24.829 -4.036 -2.018 1.00 0.35 H new ATOM 0 HB3 ASP B 65 -25.820 -4.202 -3.454 1.00 0.35 H new ATOM 2062 N LEU B 66 -23.032 -6.055 -3.572 1.00 0.33 N ATOM 2063 CA LEU B 66 -22.059 -6.218 -4.689 1.00 0.34 C ATOM 2064 C LEU B 66 -21.877 -7.708 -4.993 1.00 0.39 C ATOM 2065 O LEU B 66 -21.623 -8.096 -6.117 1.00 0.42 O ATOM 2066 CB LEU B 66 -20.719 -5.600 -4.270 1.00 0.31 C ATOM 2067 CG LEU B 66 -20.754 -4.068 -4.456 1.00 0.28 C ATOM 2068 CD1 LEU B 66 -19.689 -3.416 -3.572 1.00 0.24 C ATOM 2069 CD2 LEU B 66 -20.465 -3.701 -5.921 1.00 0.30 C ATOM 0 H LEU B 66 -22.624 -5.765 -2.683 1.00 0.33 H new ATOM 0 HA LEU B 66 -22.428 -5.718 -5.584 1.00 0.34 H new ATOM 0 HB2 LEU B 66 -20.509 -5.842 -3.228 1.00 0.31 H new ATOM 0 HB3 LEU B 66 -19.912 -6.027 -4.865 1.00 0.31 H new ATOM 0 HG LEU B 66 -21.745 -3.710 -4.178 1.00 0.28 H new ATOM 0 HD11 LEU B 66 -19.717 -2.335 -3.706 1.00 0.24 H new ATOM 0 HD12 LEU B 66 -19.886 -3.657 -2.527 1.00 0.24 H new ATOM 0 HD13 LEU B 66 -18.705 -3.791 -3.852 1.00 0.24 H new ATOM 0 HD21 LEU B 66 -20.493 -2.618 -6.037 1.00 0.30 H new ATOM 0 HD22 LEU B 66 -19.478 -4.071 -6.201 1.00 0.30 H new ATOM 0 HD23 LEU B 66 -21.218 -4.154 -6.565 1.00 0.30 H new ATOM 2081 N GLU B 67 -22.013 -8.544 -4.005 1.00 0.40 N ATOM 2082 CA GLU B 67 -21.855 -10.008 -4.238 1.00 0.45 C ATOM 2083 C GLU B 67 -23.070 -10.527 -5.000 1.00 0.50 C ATOM 2084 O GLU B 67 -23.001 -11.503 -5.720 1.00 0.55 O ATOM 2085 CB GLU B 67 -21.758 -10.729 -2.894 1.00 0.46 C ATOM 2086 CG GLU B 67 -20.415 -10.409 -2.244 1.00 0.44 C ATOM 2087 CD GLU B 67 -20.238 -11.259 -0.985 1.00 1.13 C ATOM 2088 OE1 GLU B 67 -20.914 -12.268 -0.876 1.00 1.81 O ATOM 2089 OE2 GLU B 67 -19.429 -10.886 -0.152 1.00 1.88 O ATOM 0 H GLU B 67 -22.227 -8.278 -3.044 1.00 0.40 H new ATOM 0 HA GLU B 67 -20.950 -10.191 -4.816 1.00 0.45 H new ATOM 0 HB2 GLU B 67 -22.574 -10.417 -2.242 1.00 0.46 H new ATOM 0 HB3 GLU B 67 -21.858 -11.805 -3.038 1.00 0.46 H new ATOM 0 HG2 GLU B 67 -19.604 -10.607 -2.945 1.00 0.44 H new ATOM 0 HG3 GLU B 67 -20.366 -9.350 -1.990 1.00 0.44 H new ATOM 2096 N LEU B 68 -24.186 -9.874 -4.848 1.00 0.49 N ATOM 2097 CA LEU B 68 -25.415 -10.318 -5.563 1.00 0.54 C ATOM 2098 C LEU B 68 -25.335 -9.885 -7.029 1.00 0.56 C ATOM 2099 O LEU B 68 -24.861 -10.616 -7.876 1.00 0.62 O ATOM 2100 CB LEU B 68 -26.645 -9.685 -4.918 1.00 0.55 C ATOM 2101 CG LEU B 68 -26.810 -10.205 -3.486 1.00 0.55 C ATOM 2102 CD1 LEU B 68 -27.970 -9.463 -2.832 1.00 0.56 C ATOM 2103 CD2 LEU B 68 -27.101 -11.721 -3.490 1.00 0.61 C ATOM 0 H LEU B 68 -24.302 -9.050 -4.258 1.00 0.49 H new ATOM 0 HA LEU B 68 -25.493 -11.404 -5.503 1.00 0.54 H new ATOM 0 HB2 LEU B 68 -26.544 -8.600 -4.911 1.00 0.55 H new ATOM 0 HB3 LEU B 68 -27.534 -9.919 -5.504 1.00 0.55 H new ATOM 0 HG LEU B 68 -25.888 -10.034 -2.930 1.00 0.55 H new ATOM 0 HD11 LEU B 68 -28.102 -9.821 -1.811 1.00 0.56 H new ATOM 0 HD12 LEU B 68 -27.756 -8.394 -2.817 1.00 0.56 H new ATOM 0 HD13 LEU B 68 -28.883 -9.642 -3.400 1.00 0.56 H new ATOM 0 HD21 LEU B 68 -27.215 -12.072 -2.464 1.00 0.61 H new ATOM 0 HD22 LEU B 68 -28.020 -11.914 -4.044 1.00 0.61 H new ATOM 0 HD23 LEU B 68 -26.274 -12.249 -3.964 1.00 0.61 H new ATOM 2115 N ASN B 69 -25.797 -8.703 -7.335 1.00 0.61 N ATOM 2116 CA ASN B 69 -25.751 -8.218 -8.745 1.00 0.64 C ATOM 2117 C ASN B 69 -24.422 -7.502 -8.995 1.00 0.70 C ATOM 2118 O ASN B 69 -24.092 -7.292 -10.150 1.00 1.15 O ATOM 2119 CB ASN B 69 -26.906 -7.244 -8.985 1.00 0.82 C ATOM 2120 CG ASN B 69 -26.816 -6.088 -7.987 1.00 1.67 C ATOM 2121 OD1 ASN B 69 -25.865 -5.333 -7.998 1.00 2.45 O ATOM 2122 ND2 ASN B 69 -27.774 -5.917 -7.118 1.00 2.41 N ATOM 2123 OXT ASN B 69 -23.756 -7.175 -8.026 1.00 1.44 O ATOM 0 H ASN B 69 -26.206 -8.050 -6.667 1.00 0.61 H new ATOM 0 HA ASN B 69 -25.841 -9.066 -9.424 1.00 0.64 H new ATOM 0 HB2 ASN B 69 -26.867 -6.861 -10.005 1.00 0.82 H new ATOM 0 HB3 ASN B 69 -27.860 -7.760 -8.874 1.00 0.82 H new ATOM 0 HD21 ASN B 69 -27.724 -5.149 -6.448 1.00 2.41 H new ATOM 0 HD22 ASN B 69 -28.573 -6.551 -7.108 1.00 2.41 H new TER 2130 ASN B 69 HETATM 2131 O HOH A 201 6.253 1.633 5.700 1.00 0.36 O HETATM 2134 O HOH A 202 4.207 5.783 6.347 1.00 0.70 O HETATM 2137 O HOH B 301 -6.350 -1.496 5.696 1.00 0.35 O HETATM 2140 O HOH B 302 -4.331 -5.644 6.412 1.00 1.65 O