USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -33:sc= -0.653 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.79) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= -0.0248 (180deg=-0.201) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -142:sc= -2.09 (180deg=-4.64!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.292 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -2.92! K(o=-2.9!,f=-1.8) USER MOD Single : A 50 HIS : no HD1:sc= -2.07 X(o=-2.1,f=-2.5!) USER MOD Single : A 53 THR OG1 : rot -59:sc= -0.355 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= -0.0274 (180deg=-0.257) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N PHE A 3 -0.724 9.951 0.188 1.00 0.64 N ATOM 34 CA PHE A 3 -0.900 8.831 1.105 1.00 0.59 C ATOM 35 C PHE A 3 -1.307 9.322 2.491 1.00 0.50 C ATOM 36 O PHE A 3 -0.466 9.760 3.277 1.00 0.55 O ATOM 37 CB PHE A 3 0.390 8.013 1.202 1.00 0.80 C ATOM 38 CG PHE A 3 0.921 7.560 -0.130 1.00 0.75 C ATOM 39 CD1 PHE A 3 1.801 8.356 -0.845 1.00 0.80 C ATOM 40 CD2 PHE A 3 0.541 6.339 -0.662 1.00 1.47 C ATOM 41 CE1 PHE A 3 2.292 7.943 -2.069 1.00 1.39 C ATOM 42 CE2 PHE A 3 1.028 5.920 -1.886 1.00 2.25 C ATOM 43 CZ PHE A 3 1.906 6.723 -2.590 1.00 2.18 C ATOM 0 HA PHE A 3 -1.695 8.197 0.713 1.00 0.59 H new ATOM 0 HB2 PHE A 3 1.152 8.611 1.702 1.00 0.80 H new ATOM 0 HB3 PHE A 3 0.209 7.139 1.827 1.00 0.80 H new ATOM 0 HD1 PHE A 3 2.107 9.310 -0.441 1.00 0.80 H new ATOM 0 HD2 PHE A 3 -0.143 5.707 -0.115 1.00 1.47 H new ATOM 0 HE1 PHE A 3 2.977 8.573 -2.618 1.00 1.39 H new ATOM 0 HE2 PHE A 3 0.723 4.967 -2.292 1.00 2.25 H new ATOM 0 HZ PHE A 3 2.289 6.397 -3.546 1.00 2.18 H new ATOM 52 N THR A 4 -2.602 9.251 2.783 1.00 0.53 N ATOM 53 CA THR A 4 -3.119 9.688 4.075 1.00 0.49 C ATOM 54 C THR A 4 -3.861 8.559 4.784 1.00 0.45 C ATOM 55 O THR A 4 -4.383 7.648 4.141 1.00 0.45 O ATOM 56 CB THR A 4 -4.066 10.893 3.924 1.00 0.57 C ATOM 57 OG1 THR A 4 -5.092 10.596 2.971 1.00 0.61 O ATOM 58 CG2 THR A 4 -3.299 12.130 3.487 1.00 0.66 C ATOM 0 H THR A 4 -3.312 8.895 2.143 1.00 0.53 H new ATOM 0 HA THR A 4 -2.258 9.985 4.674 1.00 0.49 H new ATOM 0 HB THR A 4 -4.523 11.092 4.893 1.00 0.57 H new ATOM 0 HG1 THR A 4 -5.690 11.367 2.883 1.00 0.61 H new ATOM 0 HG21 THR A 4 -3.988 12.969 3.387 1.00 0.66 H new ATOM 0 HG22 THR A 4 -2.541 12.370 4.232 1.00 0.66 H new ATOM 0 HG23 THR A 4 -2.817 11.939 2.528 1.00 0.66 H new ATOM 66 N PRO A 5 -3.917 8.605 6.127 1.00 0.47 N ATOM 67 CA PRO A 5 -4.603 7.585 6.923 1.00 0.51 C ATOM 68 C PRO A 5 -6.119 7.725 6.860 1.00 0.51 C ATOM 69 O PRO A 5 -6.735 8.328 7.740 1.00 0.65 O ATOM 70 CB PRO A 5 -4.098 7.854 8.339 1.00 0.62 C ATOM 71 CG PRO A 5 -3.807 9.313 8.357 1.00 0.58 C ATOM 72 CD PRO A 5 -3.316 9.655 6.975 1.00 0.53 C ATOM 0 HA PRO A 5 -4.398 6.576 6.565 1.00 0.51 H new ATOM 0 HB2 PRO A 5 -4.847 7.589 9.085 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -3.206 7.268 8.561 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -4.700 9.886 8.607 1.00 0.58 H new ATOM 0 HG3 PRO A 5 -3.055 9.552 9.109 1.00 0.58 H new ATOM 0 HD2 PRO A 5 -3.638 10.651 6.670 1.00 0.53 H new ATOM 0 HD3 PRO A 5 -2.227 9.641 6.921 1.00 0.53 H new ATOM 77 N ASP A 6 -6.716 7.170 5.812 1.00 0.74 N ATOM 78 CA ASP A 6 -8.161 7.230 5.628 1.00 0.84 C ATOM 79 C ASP A 6 -8.565 6.554 4.323 1.00 0.71 C ATOM 80 O ASP A 6 -9.553 5.822 4.272 1.00 0.67 O ATOM 81 CB ASP A 6 -8.640 8.684 5.629 1.00 1.07 C ATOM 82 CG ASP A 6 -10.136 8.797 5.409 1.00 2.06 C ATOM 83 OD1 ASP A 6 -10.567 8.773 4.237 1.00 2.51 O ATOM 84 OD2 ASP A 6 -10.875 8.911 6.408 1.00 2.69 O ATOM 0 H ASP A 6 -6.219 6.671 5.074 1.00 0.74 H new ATOM 0 HA ASP A 6 -8.631 6.701 6.457 1.00 0.84 H new ATOM 0 HB2 ASP A 6 -8.379 9.150 6.579 1.00 1.07 H new ATOM 0 HB3 ASP A 6 -8.117 9.237 4.848 1.00 1.07 H new ATOM 88 N SER A 7 -7.793 6.806 3.271 1.00 0.77 N ATOM 89 CA SER A 7 -8.071 6.223 1.964 1.00 0.72 C ATOM 90 C SER A 7 -7.206 4.992 1.722 1.00 0.54 C ATOM 91 O SER A 7 -6.234 4.752 2.438 1.00 0.67 O ATOM 92 CB SER A 7 -7.827 7.256 0.861 1.00 0.96 C ATOM 93 OG SER A 7 -8.653 8.394 1.036 1.00 1.89 O ATOM 0 H SER A 7 -6.971 7.409 3.298 1.00 0.77 H new ATOM 0 HA SER A 7 -9.117 5.919 1.944 1.00 0.72 H new ATOM 0 HB2 SER A 7 -6.780 7.559 0.867 1.00 0.96 H new ATOM 0 HB3 SER A 7 -8.023 6.806 -0.112 1.00 0.96 H new ATOM 0 HG SER A 7 -8.477 9.039 0.320 1.00 1.89 H new ATOM 98 N ALA A 8 -7.569 4.212 0.709 1.00 0.47 N ATOM 99 CA ALA A 8 -6.830 3.004 0.373 1.00 0.35 C ATOM 100 C ALA A 8 -5.990 3.206 -0.883 1.00 0.31 C ATOM 101 O ALA A 8 -6.239 4.121 -1.666 1.00 0.38 O ATOM 102 CB ALA A 8 -7.787 1.837 0.185 1.00 0.44 C ATOM 0 H ALA A 8 -8.371 4.397 0.107 1.00 0.47 H new ATOM 0 HA ALA A 8 -6.155 2.779 1.199 1.00 0.35 H new ATOM 0 HB1 ALA A 8 -7.222 0.940 -0.066 1.00 0.44 H new ATOM 0 HB2 ALA A 8 -8.342 1.670 1.108 1.00 0.44 H new ATOM 0 HB3 ALA A 8 -8.484 2.064 -0.622 1.00 0.44 H new ATOM 108 N TRP A 9 -4.995 2.344 -1.068 1.00 0.30 N ATOM 109 CA TRP A 9 -4.118 2.431 -2.229 1.00 0.30 C ATOM 110 C TRP A 9 -3.801 1.043 -2.773 1.00 0.32 C ATOM 111 O TRP A 9 -4.026 0.035 -2.101 1.00 0.39 O ATOM 112 CB TRP A 9 -2.824 3.160 -1.865 1.00 0.34 C ATOM 113 CG TRP A 9 -3.053 4.535 -1.312 1.00 0.35 C ATOM 114 CD1 TRP A 9 -3.396 4.855 -0.030 1.00 0.40 C ATOM 115 CD2 TRP A 9 -2.954 5.773 -2.024 1.00 0.42 C ATOM 116 NE1 TRP A 9 -3.519 6.217 0.098 1.00 0.41 N ATOM 117 CE2 TRP A 9 -3.252 6.803 -1.112 1.00 0.42 C ATOM 118 CE3 TRP A 9 -2.643 6.111 -3.345 1.00 0.56 C ATOM 119 CZ2 TRP A 9 -3.246 8.147 -1.479 1.00 0.52 C ATOM 120 CZ3 TRP A 9 -2.639 7.444 -3.707 1.00 0.69 C ATOM 121 CH2 TRP A 9 -2.938 8.448 -2.777 1.00 0.66 C ATOM 0 H TRP A 9 -4.777 1.579 -0.430 1.00 0.30 H new ATOM 0 HA TRP A 9 -4.636 2.996 -3.004 1.00 0.30 H new ATOM 0 HB2 TRP A 9 -2.275 2.568 -1.132 1.00 0.34 H new ATOM 0 HB3 TRP A 9 -2.194 3.233 -2.752 1.00 0.34 H new ATOM 0 HD1 TRP A 9 -3.548 4.142 0.767 1.00 0.40 H new ATOM 0 HE1 TRP A 9 -3.768 6.712 0.954 1.00 0.41 H new ATOM 0 HE3 TRP A 9 -2.410 5.344 -4.069 1.00 0.56 H new ATOM 0 HZ2 TRP A 9 -3.476 8.923 -0.764 1.00 0.52 H new ATOM 0 HZ3 TRP A 9 -2.401 7.717 -4.725 1.00 0.69 H new ATOM 0 HH2 TRP A 9 -2.925 9.481 -3.092 1.00 0.66 H new ATOM 131 N LYS A 10 -3.278 0.995 -3.993 1.00 0.34 N ATOM 132 CA LYS A 10 -2.937 -0.274 -4.626 1.00 0.37 C ATOM 133 C LYS A 10 -1.429 -0.502 -4.622 1.00 0.34 C ATOM 134 O LYS A 10 -0.651 0.418 -4.872 1.00 0.34 O ATOM 135 CB LYS A 10 -3.465 -0.311 -6.059 1.00 0.43 C ATOM 136 CG LYS A 10 -3.122 -1.593 -6.801 1.00 1.01 C ATOM 137 CD LYS A 10 -3.697 -1.592 -8.207 1.00 1.03 C ATOM 138 CE LYS A 10 -5.215 -1.521 -8.187 1.00 1.28 C ATOM 139 NZ LYS A 10 -5.790 -1.539 -9.560 1.00 2.04 N ATOM 0 H LYS A 10 -3.081 1.818 -4.563 1.00 0.34 H new ATOM 0 HA LYS A 10 -3.406 -1.072 -4.051 1.00 0.37 H new ATOM 0 HB2 LYS A 10 -4.548 -0.190 -6.042 1.00 0.43 H new ATOM 0 HB3 LYS A 10 -3.058 0.537 -6.609 1.00 0.43 H new ATOM 0 HG2 LYS A 10 -2.039 -1.708 -6.849 1.00 1.01 H new ATOM 0 HG3 LYS A 10 -3.509 -2.449 -6.249 1.00 1.01 H new ATOM 0 HD2 LYS A 10 -3.299 -0.743 -8.763 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -3.381 -2.494 -8.731 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -5.610 -2.362 -7.617 1.00 1.28 H new ATOM 0 HE3 LYS A 10 -5.529 -0.612 -7.674 1.00 1.28 H new ATOM 0 HZ1 LYS A 10 -6.827 -1.489 -9.503 1.00 2.04 H new ATOM 0 HZ2 LYS A 10 -5.433 -0.723 -10.097 1.00 2.04 H new ATOM 0 HZ3 LYS A 10 -5.512 -2.418 -10.041 1.00 2.04 H new ATOM 149 N ILE A 11 -1.027 -1.735 -4.333 1.00 0.36 N ATOM 150 CA ILE A 11 0.386 -2.090 -4.303 1.00 0.36 C ATOM 151 C ILE A 11 0.859 -2.519 -5.685 1.00 0.32 C ATOM 152 O ILE A 11 0.203 -3.317 -6.354 1.00 0.38 O ATOM 153 CB ILE A 11 0.661 -3.230 -3.302 1.00 0.41 C ATOM 154 CG1 ILE A 11 0.208 -2.827 -1.898 1.00 0.48 C ATOM 155 CG2 ILE A 11 2.138 -3.596 -3.299 1.00 0.43 C ATOM 156 CD1 ILE A 11 0.499 -3.874 -0.845 1.00 0.56 C ATOM 0 H ILE A 11 -1.660 -2.505 -4.116 1.00 0.36 H new ATOM 0 HA ILE A 11 0.934 -1.203 -3.985 1.00 0.36 H new ATOM 0 HB ILE A 11 0.091 -4.106 -3.613 1.00 0.41 H new ATOM 0 HG12 ILE A 11 0.701 -1.896 -1.619 1.00 0.48 H new ATOM 0 HG13 ILE A 11 -0.863 -2.627 -1.914 1.00 0.48 H new ATOM 0 HG21 ILE A 11 2.312 -4.402 -2.586 1.00 0.43 H new ATOM 0 HG22 ILE A 11 2.434 -3.923 -4.296 1.00 0.43 H new ATOM 0 HG23 ILE A 11 2.728 -2.725 -3.013 1.00 0.43 H new ATOM 0 HD11 ILE A 11 0.151 -3.521 0.126 1.00 0.56 H new ATOM 0 HD12 ILE A 11 -0.017 -4.800 -1.100 1.00 0.56 H new ATOM 0 HD13 ILE A 11 1.573 -4.057 -0.801 1.00 0.56 H new ATOM 167 N THR A 12 1.998 -1.984 -6.107 1.00 0.28 N ATOM 168 CA THR A 12 2.556 -2.311 -7.411 1.00 0.27 C ATOM 169 C THR A 12 4.076 -2.406 -7.341 1.00 0.27 C ATOM 170 O THR A 12 4.787 -1.771 -8.120 1.00 0.30 O ATOM 171 CB THR A 12 2.159 -1.263 -8.467 1.00 0.30 C ATOM 172 OG1 THR A 12 0.751 -1.011 -8.399 1.00 0.91 O ATOM 173 CG2 THR A 12 2.522 -1.734 -9.868 1.00 0.97 C ATOM 0 H THR A 12 2.553 -1.322 -5.564 1.00 0.28 H new ATOM 0 HA THR A 12 2.148 -3.278 -7.705 1.00 0.27 H new ATOM 0 HB THR A 12 2.708 -0.345 -8.256 1.00 0.30 H new ATOM 0 HG1 THR A 12 0.505 -0.342 -9.072 1.00 0.91 H new ATOM 0 HG21 THR A 12 2.231 -0.975 -10.594 1.00 0.97 H new ATOM 0 HG22 THR A 12 3.598 -1.900 -9.929 1.00 0.97 H new ATOM 0 HG23 THR A 12 1.998 -2.665 -10.086 1.00 0.97 H new ATOM 181 N GLY A 13 4.569 -3.208 -6.401 1.00 0.29 N ATOM 182 CA GLY A 13 6.004 -3.379 -6.239 1.00 0.33 C ATOM 183 C GLY A 13 6.726 -3.585 -7.559 1.00 0.37 C ATOM 184 O GLY A 13 6.833 -4.710 -8.047 1.00 0.45 O ATOM 0 H GLY A 13 3.999 -3.744 -5.747 1.00 0.29 H new ATOM 0 HA2 GLY A 13 6.415 -2.502 -5.738 1.00 0.33 H new ATOM 0 HA3 GLY A 13 6.192 -4.234 -5.590 1.00 0.33 H new ATOM 188 N PHE A 14 7.220 -2.494 -8.131 1.00 0.34 N ATOM 189 CA PHE A 14 7.932 -2.551 -9.402 1.00 0.41 C ATOM 190 C PHE A 14 9.094 -1.563 -9.419 1.00 0.39 C ATOM 191 O PHE A 14 8.898 -0.363 -9.614 1.00 0.43 O ATOM 192 CB PHE A 14 6.977 -2.249 -10.557 1.00 0.50 C ATOM 193 CG PHE A 14 7.651 -2.193 -11.898 1.00 0.60 C ATOM 194 CD1 PHE A 14 8.250 -1.023 -12.339 1.00 0.69 C ATOM 195 CD2 PHE A 14 7.685 -3.308 -12.719 1.00 0.70 C ATOM 196 CE1 PHE A 14 8.869 -0.967 -13.572 1.00 0.79 C ATOM 197 CE2 PHE A 14 8.301 -3.259 -13.954 1.00 0.81 C ATOM 198 CZ PHE A 14 8.895 -2.088 -14.383 1.00 0.81 C ATOM 0 H PHE A 14 7.141 -1.558 -7.734 1.00 0.34 H new ATOM 0 HA PHE A 14 8.332 -3.558 -9.522 1.00 0.41 H new ATOM 0 HB2 PHE A 14 6.199 -3.012 -10.583 1.00 0.50 H new ATOM 0 HB3 PHE A 14 6.483 -1.296 -10.368 1.00 0.50 H new ATOM 0 HD1 PHE A 14 8.232 -0.145 -11.711 1.00 0.69 H new ATOM 0 HD2 PHE A 14 7.224 -4.227 -12.389 1.00 0.70 H new ATOM 0 HE1 PHE A 14 9.332 -0.049 -13.903 1.00 0.79 H new ATOM 0 HE2 PHE A 14 8.318 -4.136 -14.584 1.00 0.81 H new ATOM 0 HZ PHE A 14 9.378 -2.047 -15.348 1.00 0.81 H new ATOM 207 N SER A 15 10.301 -2.074 -9.212 1.00 0.40 N ATOM 208 CA SER A 15 11.494 -1.234 -9.204 1.00 0.41 C ATOM 209 C SER A 15 12.365 -1.514 -10.425 1.00 0.43 C ATOM 210 O SER A 15 12.001 -2.309 -11.290 1.00 0.48 O ATOM 211 CB SER A 15 12.299 -1.467 -7.925 1.00 0.39 C ATOM 212 OG SER A 15 11.504 -1.240 -6.774 1.00 0.76 O ATOM 0 H SER A 15 10.481 -3.064 -9.048 1.00 0.40 H new ATOM 0 HA SER A 15 11.174 -0.192 -9.239 1.00 0.41 H new ATOM 0 HB2 SER A 15 12.680 -2.488 -7.912 1.00 0.39 H new ATOM 0 HB3 SER A 15 13.164 -0.804 -7.910 1.00 0.39 H new ATOM 0 HG SER A 15 10.856 -0.528 -6.959 1.00 0.76 H new ATOM 217 N ARG A 16 13.517 -0.854 -10.487 1.00 0.57 N ATOM 218 CA ARG A 16 14.444 -1.029 -11.599 1.00 0.61 C ATOM 219 C ARG A 16 15.182 -2.360 -11.496 1.00 0.59 C ATOM 220 O ARG A 16 15.670 -2.889 -12.495 1.00 0.63 O ATOM 221 CB ARG A 16 15.450 0.123 -11.638 1.00 0.69 C ATOM 222 CG ARG A 16 14.853 1.445 -12.095 1.00 1.14 C ATOM 223 CD ARG A 16 13.713 1.887 -11.191 1.00 1.37 C ATOM 224 NE ARG A 16 13.235 3.223 -11.530 1.00 2.19 N ATOM 225 CZ ARG A 16 12.194 3.804 -10.943 1.00 2.67 C ATOM 226 NH1 ARG A 16 11.522 3.162 -9.997 1.00 2.41 N ATOM 227 NH2 ARG A 16 11.822 5.024 -11.302 1.00 3.58 N ATOM 0 H ARG A 16 13.831 -0.191 -9.778 1.00 0.57 H new ATOM 0 HA ARG A 16 13.864 -1.029 -12.522 1.00 0.61 H new ATOM 0 HB2 ARG A 16 15.878 0.253 -10.644 1.00 0.69 H new ATOM 0 HB3 ARG A 16 16.269 -0.145 -12.305 1.00 0.69 H new ATOM 0 HG2 ARG A 16 15.628 2.211 -12.105 1.00 1.14 H new ATOM 0 HG3 ARG A 16 14.490 1.346 -13.118 1.00 1.14 H new ATOM 0 HD2 ARG A 16 12.890 1.176 -11.271 1.00 1.37 H new ATOM 0 HD3 ARG A 16 14.047 1.873 -10.153 1.00 1.37 H new ATOM 0 HE ARG A 16 13.727 3.740 -12.258 1.00 2.19 H new ATOM 0 HH11 ARG A 16 11.804 2.222 -9.720 1.00 2.41 H new ATOM 0 HH12 ARG A 16 10.723 3.608 -9.547 1.00 2.41 H new ATOM 0 HH21 ARG A 16 12.335 5.520 -12.031 1.00 3.58 H new ATOM 0 HH22 ARG A 16 11.022 5.467 -10.850 1.00 3.58 H new ATOM 238 N ASP A 17 15.262 -2.899 -10.283 1.00 0.58 N ATOM 239 CA ASP A 17 15.941 -4.169 -10.052 1.00 0.63 C ATOM 240 C ASP A 17 15.664 -4.681 -8.643 1.00 0.57 C ATOM 241 O ASP A 17 16.565 -5.169 -7.960 1.00 0.62 O ATOM 242 CB ASP A 17 17.447 -4.012 -10.266 1.00 0.77 C ATOM 243 CG ASP A 17 18.190 -5.327 -10.131 1.00 1.61 C ATOM 244 OD1 ASP A 17 18.260 -6.075 -11.130 1.00 2.48 O ATOM 245 OD2 ASP A 17 18.702 -5.611 -9.026 1.00 1.86 O ATOM 0 H ASP A 17 14.865 -2.475 -9.445 1.00 0.58 H new ATOM 0 HA ASP A 17 15.556 -4.897 -10.766 1.00 0.63 H new ATOM 0 HB2 ASP A 17 17.629 -3.595 -11.256 1.00 0.77 H new ATOM 0 HB3 ASP A 17 17.842 -3.299 -9.542 1.00 0.77 H new ATOM 249 N ILE A 18 14.410 -4.575 -8.213 1.00 0.51 N ATOM 250 CA ILE A 18 14.009 -5.026 -6.886 1.00 0.50 C ATOM 251 C ILE A 18 14.558 -6.420 -6.585 1.00 0.50 C ATOM 252 O ILE A 18 14.198 -7.397 -7.242 1.00 0.57 O ATOM 253 CB ILE A 18 12.473 -5.034 -6.737 1.00 0.48 C ATOM 254 CG1 ILE A 18 12.064 -5.563 -5.360 1.00 0.52 C ATOM 255 CG2 ILE A 18 11.836 -5.865 -7.841 1.00 0.47 C ATOM 256 CD1 ILE A 18 10.565 -5.627 -5.158 1.00 0.56 C ATOM 0 H ILE A 18 13.652 -4.179 -8.768 1.00 0.51 H new ATOM 0 HA ILE A 18 14.428 -4.320 -6.170 1.00 0.50 H new ATOM 0 HB ILE A 18 12.115 -4.008 -6.827 1.00 0.48 H new ATOM 0 HG12 ILE A 18 12.484 -6.560 -5.223 1.00 0.52 H new ATOM 0 HG13 ILE A 18 12.499 -4.925 -4.591 1.00 0.52 H new ATOM 0 HG21 ILE A 18 10.753 -5.860 -7.721 1.00 0.47 H new ATOM 0 HG22 ILE A 18 12.096 -5.441 -8.811 1.00 0.47 H new ATOM 0 HG23 ILE A 18 12.203 -6.890 -7.783 1.00 0.47 H new ATOM 0 HD11 ILE A 18 10.348 -6.011 -4.161 1.00 0.56 H new ATOM 0 HD12 ILE A 18 10.141 -4.628 -5.263 1.00 0.56 H new ATOM 0 HD13 ILE A 18 10.125 -6.288 -5.905 1.00 0.56 H new ATOM 267 N SER A 19 15.435 -6.498 -5.590 1.00 0.57 N ATOM 268 CA SER A 19 16.037 -7.767 -5.194 1.00 0.59 C ATOM 269 C SER A 19 15.011 -8.664 -4.505 1.00 0.52 C ATOM 270 O SER A 19 14.012 -8.179 -3.972 1.00 0.50 O ATOM 271 CB SER A 19 17.226 -7.519 -4.263 1.00 0.70 C ATOM 272 OG SER A 19 18.276 -6.851 -4.941 1.00 1.50 O ATOM 0 H SER A 19 15.746 -5.696 -5.042 1.00 0.57 H new ATOM 0 HA SER A 19 16.388 -8.274 -6.093 1.00 0.59 H new ATOM 0 HB2 SER A 19 16.904 -6.924 -3.408 1.00 0.70 H new ATOM 0 HB3 SER A 19 17.589 -8.469 -3.871 1.00 0.70 H new ATOM 0 HG SER A 19 19.022 -6.703 -4.323 1.00 1.50 H new ATOM 277 N PRO A 20 15.247 -9.987 -4.500 1.00 0.54 N ATOM 278 CA PRO A 20 14.339 -10.954 -3.870 1.00 0.51 C ATOM 279 C PRO A 20 14.163 -10.690 -2.381 1.00 0.53 C ATOM 280 O PRO A 20 13.137 -11.032 -1.800 1.00 0.51 O ATOM 281 CB PRO A 20 15.028 -12.303 -4.096 1.00 0.55 C ATOM 282 CG PRO A 20 16.451 -11.961 -4.370 1.00 0.61 C ATOM 283 CD PRO A 20 16.417 -10.650 -5.098 1.00 0.61 C ATOM 0 HA PRO A 20 13.336 -10.902 -4.293 1.00 0.51 H new ATOM 0 HB2 PRO A 20 14.937 -12.945 -3.220 1.00 0.55 H new ATOM 0 HB3 PRO A 20 14.582 -12.840 -4.933 1.00 0.55 H new ATOM 0 HG2 PRO A 20 17.020 -11.881 -3.444 1.00 0.61 H new ATOM 0 HG3 PRO A 20 16.931 -12.732 -4.973 1.00 0.61 H new ATOM 0 HD2 PRO A 20 17.331 -10.077 -4.945 1.00 0.61 H new ATOM 0 HD3 PRO A 20 16.302 -10.785 -6.173 1.00 0.61 H new ATOM 288 N ALA A 21 15.173 -10.090 -1.762 1.00 0.58 N ATOM 289 CA ALA A 21 15.111 -9.780 -0.338 1.00 0.64 C ATOM 290 C ALA A 21 13.802 -9.070 0.004 1.00 0.62 C ATOM 291 O ALA A 21 13.158 -9.386 1.003 1.00 0.65 O ATOM 292 CB ALA A 21 16.302 -8.928 0.071 1.00 0.71 C ATOM 0 H ALA A 21 16.040 -9.810 -2.220 1.00 0.58 H new ATOM 0 HA ALA A 21 15.147 -10.716 0.219 1.00 0.64 H new ATOM 0 HB1 ALA A 21 16.241 -8.705 1.136 1.00 0.71 H new ATOM 0 HB2 ALA A 21 17.225 -9.470 -0.134 1.00 0.71 H new ATOM 0 HB3 ALA A 21 16.295 -7.997 -0.495 1.00 0.71 H new ATOM 298 N TYR A 22 13.422 -8.108 -0.831 1.00 0.60 N ATOM 299 CA TYR A 22 12.189 -7.357 -0.626 1.00 0.61 C ATOM 300 C TYR A 22 10.993 -8.080 -1.247 1.00 0.54 C ATOM 301 O TYR A 22 9.902 -8.096 -0.678 1.00 0.57 O ATOM 302 CB TYR A 22 12.313 -5.954 -1.219 1.00 0.66 C ATOM 303 CG TYR A 22 13.361 -5.098 -0.544 1.00 0.90 C ATOM 304 CD1 TYR A 22 14.705 -5.229 -0.867 1.00 1.28 C ATOM 305 CD2 TYR A 22 13.005 -4.156 0.414 1.00 0.99 C ATOM 306 CE1 TYR A 22 15.667 -4.449 -0.253 1.00 1.72 C ATOM 307 CE2 TYR A 22 13.960 -3.372 1.032 1.00 1.34 C ATOM 308 CZ TYR A 22 15.289 -3.525 0.702 1.00 1.72 C ATOM 309 OH TYR A 22 16.244 -2.742 1.306 1.00 2.17 O ATOM 0 H TYR A 22 13.951 -7.830 -1.657 1.00 0.60 H new ATOM 0 HA TYR A 22 12.023 -7.277 0.448 1.00 0.61 H new ATOM 0 HB2 TYR A 22 12.553 -6.037 -2.279 1.00 0.66 H new ATOM 0 HB3 TYR A 22 11.347 -5.453 -1.149 1.00 0.66 H new ATOM 0 HD1 TYR A 22 15.004 -5.953 -1.611 1.00 1.28 H new ATOM 0 HD2 TYR A 22 11.965 -4.035 0.680 1.00 0.99 H new ATOM 0 HE1 TYR A 22 16.708 -4.561 -0.518 1.00 1.72 H new ATOM 0 HE2 TYR A 22 13.666 -2.642 1.771 1.00 1.34 H new ATOM 0 HH TYR A 22 15.815 -2.143 1.953 1.00 2.17 H new ATOM 318 N ARG A 23 11.207 -8.675 -2.418 1.00 0.48 N ATOM 319 CA ARG A 23 10.145 -9.392 -3.119 1.00 0.44 C ATOM 320 C ARG A 23 9.737 -10.655 -2.366 1.00 0.45 C ATOM 321 O ARG A 23 8.568 -10.828 -2.019 1.00 0.45 O ATOM 322 CB ARG A 23 10.593 -9.751 -4.537 1.00 0.45 C ATOM 323 CG ARG A 23 9.599 -10.625 -5.285 1.00 0.54 C ATOM 324 CD ARG A 23 8.192 -10.052 -5.220 1.00 0.53 C ATOM 325 NE ARG A 23 8.112 -8.717 -5.804 1.00 0.70 N ATOM 326 CZ ARG A 23 6.997 -7.990 -5.827 1.00 1.08 C ATOM 327 NH1 ARG A 23 5.879 -8.471 -5.300 1.00 1.57 N ATOM 328 NH2 ARG A 23 7.002 -6.783 -6.374 1.00 1.47 N ATOM 0 H ARG A 23 12.105 -8.675 -2.901 1.00 0.48 H new ATOM 0 HA ARG A 23 9.278 -8.734 -3.173 1.00 0.44 H new ATOM 0 HB2 ARG A 23 10.754 -8.833 -5.102 1.00 0.45 H new ATOM 0 HB3 ARG A 23 11.552 -10.267 -4.487 1.00 0.45 H new ATOM 0 HG2 ARG A 23 9.907 -10.718 -6.326 1.00 0.54 H new ATOM 0 HG3 ARG A 23 9.604 -11.629 -4.860 1.00 0.54 H new ATOM 0 HD2 ARG A 23 7.506 -10.718 -5.744 1.00 0.53 H new ATOM 0 HD3 ARG A 23 7.866 -10.012 -4.181 1.00 0.53 H new ATOM 0 HE ARG A 23 8.956 -8.320 -6.217 1.00 0.70 H new ATOM 0 HH11 ARG A 23 5.873 -9.399 -4.876 1.00 1.57 H new ATOM 0 HH12 ARG A 23 5.025 -7.913 -5.318 1.00 1.57 H new ATOM 0 HH21 ARG A 23 7.861 -6.410 -6.778 1.00 1.47 H new ATOM 0 HH22 ARG A 23 6.147 -6.227 -6.391 1.00 1.47 H new ATOM 339 N GLN A 24 10.706 -11.535 -2.116 1.00 0.49 N ATOM 340 CA GLN A 24 10.453 -12.788 -1.403 1.00 0.55 C ATOM 341 C GLN A 24 9.497 -12.585 -0.230 1.00 0.58 C ATOM 342 O GLN A 24 8.737 -13.485 0.127 1.00 0.66 O ATOM 343 CB GLN A 24 11.769 -13.381 -0.898 1.00 0.69 C ATOM 344 CG GLN A 24 12.691 -13.858 -2.008 1.00 1.52 C ATOM 345 CD GLN A 24 12.091 -14.993 -2.815 1.00 2.03 C ATOM 346 OE1 GLN A 24 11.296 -15.781 -2.303 1.00 2.61 O ATOM 347 NE2 GLN A 24 12.475 -15.085 -4.082 1.00 2.69 N ATOM 0 H GLN A 24 11.677 -11.403 -2.398 1.00 0.49 H new ATOM 0 HA GLN A 24 9.985 -13.478 -2.105 1.00 0.55 H new ATOM 0 HB2 GLN A 24 12.290 -12.631 -0.302 1.00 0.69 H new ATOM 0 HB3 GLN A 24 11.549 -14.218 -0.236 1.00 0.69 H new ATOM 0 HG2 GLN A 24 12.916 -13.024 -2.672 1.00 1.52 H new ATOM 0 HG3 GLN A 24 13.636 -14.185 -1.575 1.00 1.52 H new ATOM 0 HE21 GLN A 24 13.136 -14.409 -4.465 1.00 2.69 H new ATOM 0 HE22 GLN A 24 12.109 -15.831 -4.673 1.00 2.69 H new ATOM 354 N LYS A 25 9.540 -11.397 0.363 1.00 0.59 N ATOM 355 CA LYS A 25 8.672 -11.077 1.491 1.00 0.68 C ATOM 356 C LYS A 25 7.221 -10.987 1.035 1.00 0.61 C ATOM 357 O LYS A 25 6.345 -11.661 1.577 1.00 0.71 O ATOM 358 CB LYS A 25 9.100 -9.755 2.131 1.00 0.79 C ATOM 359 CG LYS A 25 10.539 -9.751 2.614 1.00 0.99 C ATOM 360 CD LYS A 25 10.778 -10.833 3.655 1.00 1.43 C ATOM 361 CE LYS A 25 9.827 -10.689 4.833 1.00 2.05 C ATOM 362 NZ LYS A 25 9.910 -9.335 5.449 1.00 2.59 N ATOM 0 H LYS A 25 10.165 -10.641 0.083 1.00 0.59 H new ATOM 0 HA LYS A 25 8.760 -11.873 2.231 1.00 0.68 H new ATOM 0 HB2 LYS A 25 8.966 -8.951 1.408 1.00 0.79 H new ATOM 0 HB3 LYS A 25 8.442 -9.539 2.973 1.00 0.79 H new ATOM 0 HG2 LYS A 25 11.209 -9.904 1.768 1.00 0.99 H new ATOM 0 HG3 LYS A 25 10.779 -8.776 3.039 1.00 0.99 H new ATOM 0 HD2 LYS A 25 10.648 -11.814 3.199 1.00 1.43 H new ATOM 0 HD3 LYS A 25 11.808 -10.779 4.008 1.00 1.43 H new ATOM 0 HE2 LYS A 25 8.806 -10.875 4.500 1.00 2.05 H new ATOM 0 HE3 LYS A 25 10.061 -11.445 5.583 1.00 2.05 H new ATOM 0 HZ1 LYS A 25 9.408 -9.337 6.360 1.00 2.59 H new ATOM 0 HZ2 LYS A 25 10.907 -9.085 5.604 1.00 2.59 H new ATOM 0 HZ3 LYS A 25 9.472 -8.637 4.814 1.00 2.59 H new ATOM 372 N LEU A 26 6.976 -10.148 0.036 1.00 0.55 N ATOM 373 CA LEU A 26 5.635 -9.969 -0.502 1.00 0.57 C ATOM 374 C LEU A 26 5.042 -11.308 -0.923 1.00 0.60 C ATOM 375 O LEU A 26 3.931 -11.661 -0.527 1.00 0.68 O ATOM 376 CB LEU A 26 5.669 -9.013 -1.696 1.00 0.55 C ATOM 377 CG LEU A 26 6.296 -7.647 -1.414 1.00 0.69 C ATOM 378 CD1 LEU A 26 6.371 -6.819 -2.687 1.00 1.30 C ATOM 379 CD2 LEU A 26 5.506 -6.910 -0.343 1.00 1.29 C ATOM 0 H LEU A 26 7.691 -9.580 -0.418 1.00 0.55 H new ATOM 0 HA LEU A 26 5.006 -9.541 0.278 1.00 0.57 H new ATOM 0 HB2 LEU A 26 6.221 -9.488 -2.507 1.00 0.55 H new ATOM 0 HB3 LEU A 26 4.649 -8.862 -2.050 1.00 0.55 H new ATOM 0 HG LEU A 26 7.311 -7.804 -1.048 1.00 0.69 H new ATOM 0 HD11 LEU A 26 6.820 -5.851 -2.465 1.00 1.30 H new ATOM 0 HD12 LEU A 26 6.980 -7.341 -3.425 1.00 1.30 H new ATOM 0 HD13 LEU A 26 5.367 -6.671 -3.084 1.00 1.30 H new ATOM 0 HD21 LEU A 26 5.966 -5.940 -0.155 1.00 1.29 H new ATOM 0 HD22 LEU A 26 4.480 -6.766 -0.682 1.00 1.29 H new ATOM 0 HD23 LEU A 26 5.505 -7.496 0.576 1.00 1.29 H new ATOM 390 N LEU A 27 5.793 -12.052 -1.730 1.00 0.59 N ATOM 391 CA LEU A 27 5.349 -13.355 -2.207 1.00 0.71 C ATOM 392 C LEU A 27 4.848 -14.220 -1.051 1.00 0.82 C ATOM 393 O LEU A 27 3.816 -14.880 -1.160 1.00 0.95 O ATOM 394 CB LEU A 27 6.489 -14.069 -2.937 1.00 0.75 C ATOM 395 CG LEU A 27 7.020 -13.341 -4.176 1.00 0.71 C ATOM 396 CD1 LEU A 27 8.165 -14.121 -4.802 1.00 0.82 C ATOM 397 CD2 LEU A 27 5.902 -13.127 -5.186 1.00 0.77 C ATOM 0 H LEU A 27 6.714 -11.772 -2.067 1.00 0.59 H new ATOM 0 HA LEU A 27 4.523 -13.197 -2.901 1.00 0.71 H new ATOM 0 HB2 LEU A 27 7.313 -14.214 -2.238 1.00 0.75 H new ATOM 0 HB3 LEU A 27 6.145 -15.059 -3.235 1.00 0.75 H new ATOM 0 HG LEU A 27 7.398 -12.366 -3.869 1.00 0.71 H new ATOM 0 HD11 LEU A 27 8.530 -13.589 -5.681 1.00 0.82 H new ATOM 0 HD12 LEU A 27 8.974 -14.224 -4.078 1.00 0.82 H new ATOM 0 HD13 LEU A 27 7.814 -15.110 -5.096 1.00 0.82 H new ATOM 0 HD21 LEU A 27 6.296 -12.609 -6.060 1.00 0.77 H new ATOM 0 HD22 LEU A 27 5.496 -14.092 -5.489 1.00 0.77 H new ATOM 0 HD23 LEU A 27 5.113 -12.527 -4.733 1.00 0.77 H new ATOM 408 N SER A 28 5.590 -14.209 0.055 1.00 0.84 N ATOM 409 CA SER A 28 5.217 -14.988 1.229 1.00 0.98 C ATOM 410 C SER A 28 3.793 -14.660 1.665 1.00 0.89 C ATOM 411 O SER A 28 2.972 -15.555 1.863 1.00 0.99 O ATOM 412 CB SER A 28 6.189 -14.715 2.378 1.00 1.15 C ATOM 413 OG SER A 28 5.832 -15.450 3.535 1.00 1.64 O ATOM 0 H SER A 28 6.450 -13.670 0.160 1.00 0.84 H new ATOM 0 HA SER A 28 5.265 -16.045 0.965 1.00 0.98 H new ATOM 0 HB2 SER A 28 7.201 -14.981 2.073 1.00 1.15 H new ATOM 0 HB3 SER A 28 6.195 -13.650 2.608 1.00 1.15 H new ATOM 0 HG SER A 28 6.470 -15.259 4.254 1.00 1.64 H new ATOM 418 N LEU A 29 3.512 -13.371 1.815 1.00 0.78 N ATOM 419 CA LEU A 29 2.188 -12.920 2.225 1.00 0.78 C ATOM 420 C LEU A 29 1.185 -13.080 1.088 1.00 0.74 C ATOM 421 O LEU A 29 -0.019 -13.182 1.319 1.00 0.82 O ATOM 422 CB LEU A 29 2.244 -11.458 2.673 1.00 0.86 C ATOM 423 CG LEU A 29 3.190 -11.178 3.843 1.00 1.06 C ATOM 424 CD1 LEU A 29 3.180 -9.702 4.206 1.00 1.64 C ATOM 425 CD2 LEU A 29 2.809 -12.025 5.048 1.00 1.42 C ATOM 0 H LEU A 29 4.184 -12.620 1.659 1.00 0.78 H new ATOM 0 HA LEU A 29 1.861 -13.537 3.062 1.00 0.78 H new ATOM 0 HB2 LEU A 29 2.548 -10.845 1.825 1.00 0.86 H new ATOM 0 HB3 LEU A 29 1.240 -11.140 2.953 1.00 0.86 H new ATOM 0 HG LEU A 29 4.201 -11.445 3.535 1.00 1.06 H new ATOM 0 HD11 LEU A 29 3.860 -9.528 5.040 1.00 1.64 H new ATOM 0 HD12 LEU A 29 3.502 -9.114 3.347 1.00 1.64 H new ATOM 0 HD13 LEU A 29 2.171 -9.404 4.492 1.00 1.64 H new ATOM 0 HD21 LEU A 29 3.491 -11.814 5.871 1.00 1.42 H new ATOM 0 HD22 LEU A 29 1.789 -11.788 5.352 1.00 1.42 H new ATOM 0 HD23 LEU A 29 2.873 -13.081 4.785 1.00 1.42 H new ATOM 436 N GLY A 30 1.689 -13.101 -0.143 1.00 0.68 N ATOM 437 CA GLY A 30 0.823 -13.249 -1.297 1.00 0.73 C ATOM 438 C GLY A 30 0.441 -11.919 -1.915 1.00 0.71 C ATOM 439 O GLY A 30 -0.537 -11.830 -2.657 1.00 0.82 O ATOM 0 H GLY A 30 2.682 -13.018 -0.361 1.00 0.68 H new ATOM 0 HA2 GLY A 30 1.324 -13.863 -2.046 1.00 0.73 H new ATOM 0 HA3 GLY A 30 -0.081 -13.781 -1.002 1.00 0.73 H new ATOM 443 N MET A 31 1.212 -10.879 -1.610 1.00 0.63 N ATOM 444 CA MET A 31 0.949 -9.551 -2.142 1.00 0.66 C ATOM 445 C MET A 31 1.762 -9.298 -3.408 1.00 0.56 C ATOM 446 O MET A 31 2.883 -8.792 -3.346 1.00 0.54 O ATOM 447 CB MET A 31 1.277 -8.484 -1.097 1.00 0.74 C ATOM 448 CG MET A 31 0.409 -8.559 0.148 1.00 0.94 C ATOM 449 SD MET A 31 0.732 -7.208 1.294 1.00 1.95 S ATOM 450 CE MET A 31 2.493 -7.404 1.545 1.00 2.55 C ATOM 0 H MET A 31 2.025 -10.933 -0.996 1.00 0.63 H new ATOM 0 HA MET A 31 -0.110 -9.495 -2.392 1.00 0.66 H new ATOM 0 HB2 MET A 31 2.323 -8.583 -0.806 1.00 0.74 H new ATOM 0 HB3 MET A 31 1.164 -7.499 -1.549 1.00 0.74 H new ATOM 0 HG2 MET A 31 -0.641 -8.541 -0.143 1.00 0.94 H new ATOM 0 HG3 MET A 31 0.584 -9.509 0.653 1.00 0.94 H new ATOM 0 HE1 MET A 31 2.737 -7.196 2.587 1.00 2.55 H new ATOM 0 HE2 MET A 31 2.784 -8.426 1.301 1.00 2.55 H new ATOM 0 HE3 MET A 31 3.032 -6.710 0.900 1.00 2.55 H new ATOM 458 N LEU A 32 1.195 -9.661 -4.553 1.00 0.56 N ATOM 459 CA LEU A 32 1.866 -9.468 -5.831 1.00 0.49 C ATOM 460 C LEU A 32 1.476 -8.125 -6.443 1.00 0.44 C ATOM 461 O LEU A 32 0.456 -7.542 -6.074 1.00 0.45 O ATOM 462 CB LEU A 32 1.514 -10.602 -6.796 1.00 0.52 C ATOM 463 CG LEU A 32 2.082 -11.972 -6.426 1.00 0.59 C ATOM 464 CD1 LEU A 32 1.676 -12.360 -5.012 1.00 0.69 C ATOM 465 CD2 LEU A 32 1.617 -13.024 -7.422 1.00 0.66 C ATOM 0 H LEU A 32 0.272 -10.090 -4.621 1.00 0.56 H new ATOM 0 HA LEU A 32 2.942 -9.475 -5.656 1.00 0.49 H new ATOM 0 HB2 LEU A 32 0.429 -10.681 -6.858 1.00 0.52 H new ATOM 0 HB3 LEU A 32 1.871 -10.335 -7.791 1.00 0.52 H new ATOM 0 HG LEU A 32 3.170 -11.914 -6.464 1.00 0.59 H new ATOM 0 HD11 LEU A 32 2.091 -13.338 -4.770 1.00 0.69 H new ATOM 0 HD12 LEU A 32 2.057 -11.620 -4.308 1.00 0.69 H new ATOM 0 HD13 LEU A 32 0.589 -12.400 -4.944 1.00 0.69 H new ATOM 0 HD21 LEU A 32 2.029 -13.994 -7.146 1.00 0.66 H new ATOM 0 HD22 LEU A 32 0.528 -13.077 -7.414 1.00 0.66 H new ATOM 0 HD23 LEU A 32 1.960 -12.756 -8.421 1.00 0.66 H new ATOM 476 N PRO A 33 2.281 -7.618 -7.390 1.00 0.41 N ATOM 477 CA PRO A 33 2.007 -6.340 -8.048 1.00 0.40 C ATOM 478 C PRO A 33 0.546 -6.207 -8.462 1.00 0.38 C ATOM 479 O PRO A 33 0.105 -6.821 -9.433 1.00 0.51 O ATOM 480 CB PRO A 33 2.917 -6.381 -9.274 1.00 0.43 C ATOM 481 CG PRO A 33 4.070 -7.228 -8.855 1.00 0.45 C ATOM 482 CD PRO A 33 3.516 -8.249 -7.897 1.00 0.43 C ATOM 0 HA PRO A 33 2.191 -5.488 -7.393 1.00 0.40 H new ATOM 0 HB2 PRO A 33 2.403 -6.808 -10.135 1.00 0.43 H new ATOM 0 HB3 PRO A 33 3.243 -5.381 -9.560 1.00 0.43 H new ATOM 0 HG2 PRO A 33 4.530 -7.712 -9.716 1.00 0.45 H new ATOM 0 HG3 PRO A 33 4.842 -6.625 -8.377 1.00 0.45 H new ATOM 0 HD2 PRO A 33 3.307 -9.195 -8.397 1.00 0.43 H new ATOM 0 HD3 PRO A 33 4.217 -8.463 -7.090 1.00 0.43 H new ATOM 487 N GLY A 34 -0.199 -5.402 -7.712 1.00 0.34 N ATOM 488 CA GLY A 34 -1.606 -5.202 -8.005 1.00 0.33 C ATOM 489 C GLY A 34 -2.497 -5.663 -6.870 1.00 0.31 C ATOM 490 O GLY A 34 -3.449 -6.414 -7.084 1.00 0.40 O ATOM 0 H GLY A 34 0.147 -4.884 -6.905 1.00 0.34 H new ATOM 0 HA2 GLY A 34 -1.788 -4.145 -8.202 1.00 0.33 H new ATOM 0 HA3 GLY A 34 -1.867 -5.745 -8.913 1.00 0.33 H new ATOM 494 N SER A 35 -2.187 -5.212 -5.658 1.00 0.28 N ATOM 495 CA SER A 35 -2.965 -5.583 -4.481 1.00 0.28 C ATOM 496 C SER A 35 -3.600 -4.353 -3.844 1.00 0.28 C ATOM 497 O SER A 35 -3.294 -3.223 -4.220 1.00 0.37 O ATOM 498 CB SER A 35 -2.074 -6.298 -3.462 1.00 0.31 C ATOM 499 OG SER A 35 -2.809 -6.655 -2.302 1.00 0.62 O ATOM 0 H SER A 35 -1.403 -4.589 -5.466 1.00 0.28 H new ATOM 0 HA SER A 35 -3.760 -6.259 -4.796 1.00 0.28 H new ATOM 0 HB2 SER A 35 -1.645 -7.192 -3.914 1.00 0.31 H new ATOM 0 HB3 SER A 35 -1.242 -5.651 -3.184 1.00 0.31 H new ATOM 0 HG SER A 35 -2.218 -7.112 -1.668 1.00 0.62 H new ATOM 504 N SER A 36 -4.485 -4.580 -2.877 1.00 0.25 N ATOM 505 CA SER A 36 -5.161 -3.484 -2.190 1.00 0.25 C ATOM 506 C SER A 36 -4.841 -3.496 -0.698 1.00 0.23 C ATOM 507 O SER A 36 -4.789 -4.553 -0.072 1.00 0.28 O ATOM 508 CB SER A 36 -6.674 -3.582 -2.401 1.00 0.30 C ATOM 509 OG SER A 36 -7.182 -4.803 -1.894 1.00 1.30 O ATOM 0 H SER A 36 -4.750 -5.510 -2.552 1.00 0.25 H new ATOM 0 HA SER A 36 -4.801 -2.545 -2.611 1.00 0.25 H new ATOM 0 HB2 SER A 36 -7.168 -2.746 -1.906 1.00 0.30 H new ATOM 0 HB3 SER A 36 -6.902 -3.503 -3.464 1.00 0.30 H new ATOM 0 HG SER A 36 -8.150 -4.840 -2.040 1.00 1.30 H new ATOM 514 N PHE A 37 -4.626 -2.310 -0.133 1.00 0.22 N ATOM 515 CA PHE A 37 -4.312 -2.184 1.286 1.00 0.23 C ATOM 516 C PHE A 37 -4.851 -0.874 1.852 1.00 0.23 C ATOM 517 O PHE A 37 -5.179 0.049 1.105 1.00 0.33 O ATOM 518 CB PHE A 37 -2.799 -2.258 1.501 1.00 0.25 C ATOM 519 CG PHE A 37 -2.050 -1.105 0.895 1.00 0.26 C ATOM 520 CD1 PHE A 37 -1.926 -0.991 -0.479 1.00 0.32 C ATOM 521 CD2 PHE A 37 -1.475 -0.137 1.700 1.00 0.27 C ATOM 522 CE1 PHE A 37 -1.241 0.070 -1.041 1.00 0.36 C ATOM 523 CE2 PHE A 37 -0.787 0.926 1.144 1.00 0.30 C ATOM 524 CZ PHE A 37 -0.659 1.023 -0.226 1.00 0.33 C ATOM 0 H PHE A 37 -4.664 -1.424 -0.637 1.00 0.22 H new ATOM 0 HA PHE A 37 -4.791 -3.010 1.812 1.00 0.23 H new ATOM 0 HB2 PHE A 37 -2.593 -2.292 2.571 1.00 0.25 H new ATOM 0 HB3 PHE A 37 -2.425 -3.189 1.074 1.00 0.25 H new ATOM 0 HD1 PHE A 37 -2.369 -1.739 -1.119 1.00 0.32 H new ATOM 0 HD2 PHE A 37 -1.565 -0.213 2.774 1.00 0.27 H new ATOM 0 HE1 PHE A 37 -1.161 0.154 -2.115 1.00 0.36 H new ATOM 0 HE2 PHE A 37 -0.350 1.680 1.782 1.00 0.30 H new ATOM 0 HZ PHE A 37 -0.105 1.842 -0.661 1.00 0.33 H new ATOM 533 N HIS A 38 -4.937 -0.801 3.178 1.00 0.21 N ATOM 534 CA HIS A 38 -5.432 0.395 3.848 1.00 0.24 C ATOM 535 C HIS A 38 -4.301 1.128 4.564 1.00 0.24 C ATOM 536 O HIS A 38 -3.320 0.515 4.986 1.00 0.40 O ATOM 537 CB HIS A 38 -6.529 0.027 4.850 1.00 0.28 C ATOM 538 CG HIS A 38 -7.062 1.202 5.611 1.00 1.17 C ATOM 539 ND1 HIS A 38 -8.212 1.872 5.252 1.00 2.13 N ATOM 540 CD2 HIS A 38 -6.597 1.824 6.720 1.00 1.98 C ATOM 541 CE1 HIS A 38 -8.429 2.857 6.106 1.00 2.94 C ATOM 542 NE2 HIS A 38 -7.465 2.848 7.006 1.00 2.82 N ATOM 0 H HIS A 38 -4.670 -1.557 3.808 1.00 0.21 H new ATOM 0 HA HIS A 38 -5.848 1.058 3.089 1.00 0.24 H new ATOM 0 HB2 HIS A 38 -7.350 -0.454 4.318 1.00 0.28 H new ATOM 0 HB3 HIS A 38 -6.135 -0.704 5.556 1.00 0.28 H new ATOM 0 HD2 HIS A 38 -5.709 1.563 7.276 1.00 1.98 H new ATOM 0 HE1 HIS A 38 -9.255 3.551 6.073 1.00 2.94 H new ATOM 0 HE2 HIS A 38 -7.379 3.497 7.788 1.00 2.82 H new ATOM 550 N VAL A 39 -4.444 2.442 4.696 1.00 0.27 N ATOM 551 CA VAL A 39 -3.434 3.262 5.358 1.00 0.27 C ATOM 552 C VAL A 39 -3.743 3.426 6.842 1.00 0.28 C ATOM 553 O VAL A 39 -4.856 3.793 7.218 1.00 0.40 O ATOM 554 CB VAL A 39 -3.333 4.655 4.712 1.00 0.39 C ATOM 555 CG1 VAL A 39 -2.260 5.488 5.399 1.00 1.28 C ATOM 556 CG2 VAL A 39 -3.051 4.534 3.222 1.00 0.88 C ATOM 0 H VAL A 39 -5.251 2.964 4.353 1.00 0.27 H new ATOM 0 HA VAL A 39 -2.482 2.744 5.243 1.00 0.27 H new ATOM 0 HB VAL A 39 -4.289 5.162 4.838 1.00 0.39 H new ATOM 0 HG11 VAL A 39 -2.204 6.469 4.928 1.00 1.28 H new ATOM 0 HG12 VAL A 39 -2.510 5.605 6.453 1.00 1.28 H new ATOM 0 HG13 VAL A 39 -1.296 4.987 5.308 1.00 1.28 H new ATOM 0 HG21 VAL A 39 -2.983 5.529 2.783 1.00 0.88 H new ATOM 0 HG22 VAL A 39 -2.109 4.006 3.072 1.00 0.88 H new ATOM 0 HG23 VAL A 39 -3.858 3.980 2.743 1.00 0.88 H new ATOM 566 N VAL A 40 -2.748 3.154 7.682 1.00 0.24 N ATOM 567 CA VAL A 40 -2.912 3.272 9.125 1.00 0.34 C ATOM 568 C VAL A 40 -2.343 4.593 9.637 1.00 0.37 C ATOM 569 O VAL A 40 -2.892 5.201 10.556 1.00 0.54 O ATOM 570 CB VAL A 40 -2.230 2.103 9.863 1.00 0.41 C ATOM 571 CG1 VAL A 40 -2.396 2.248 11.369 1.00 0.54 C ATOM 572 CG2 VAL A 40 -2.791 0.771 9.386 1.00 0.43 C ATOM 0 H VAL A 40 -1.820 2.850 7.387 1.00 0.24 H new ATOM 0 HA VAL A 40 -3.982 3.242 9.328 1.00 0.34 H new ATOM 0 HB VAL A 40 -1.165 2.128 9.635 1.00 0.41 H new ATOM 0 HG11 VAL A 40 -1.908 1.413 11.871 1.00 0.54 H new ATOM 0 HG12 VAL A 40 -1.943 3.184 11.697 1.00 0.54 H new ATOM 0 HG13 VAL A 40 -3.457 2.252 11.619 1.00 0.54 H new ATOM 0 HG21 VAL A 40 -2.298 -0.043 9.918 1.00 0.43 H new ATOM 0 HG22 VAL A 40 -3.863 0.736 9.582 1.00 0.43 H new ATOM 0 HG23 VAL A 40 -2.615 0.664 8.316 1.00 0.43 H new ATOM 582 N ARG A 41 -1.240 5.034 9.038 1.00 0.27 N ATOM 583 CA ARG A 41 -0.603 6.286 9.435 1.00 0.31 C ATOM 584 C ARG A 41 0.567 6.623 8.517 1.00 0.31 C ATOM 585 O ARG A 41 1.479 5.817 8.335 1.00 0.40 O ATOM 586 CB ARG A 41 -0.121 6.199 10.886 1.00 0.40 C ATOM 587 CG ARG A 41 0.888 5.089 11.128 1.00 0.47 C ATOM 588 CD ARG A 41 1.326 5.044 12.583 1.00 0.57 C ATOM 589 NE ARG A 41 1.933 6.301 13.009 1.00 1.37 N ATOM 590 CZ ARG A 41 2.091 6.650 14.282 1.00 1.62 C ATOM 591 NH1 ARG A 41 1.697 5.834 15.251 1.00 0.94 N ATOM 592 NH2 ARG A 41 2.646 7.815 14.587 1.00 2.80 N ATOM 0 H ARG A 41 -0.770 4.544 8.277 1.00 0.27 H new ATOM 0 HA ARG A 41 -1.344 7.081 9.351 1.00 0.31 H new ATOM 0 HB2 ARG A 41 0.326 7.152 11.169 1.00 0.40 H new ATOM 0 HB3 ARG A 41 -0.981 6.044 11.537 1.00 0.40 H new ATOM 0 HG2 ARG A 41 0.451 4.131 10.848 1.00 0.47 H new ATOM 0 HG3 ARG A 41 1.758 5.241 10.489 1.00 0.47 H new ATOM 0 HD2 ARG A 41 0.465 4.825 13.214 1.00 0.57 H new ATOM 0 HD3 ARG A 41 2.039 4.231 12.722 1.00 0.57 H new ATOM 0 HE ARG A 41 2.254 6.948 12.289 1.00 1.37 H new ATOM 0 HH11 ARG A 41 1.272 4.936 15.020 1.00 0.94 H new ATOM 0 HH12 ARG A 41 1.820 6.104 16.227 1.00 0.94 H new ATOM 0 HH21 ARG A 41 2.952 8.444 13.845 1.00 2.80 H new ATOM 0 HH22 ARG A 41 2.767 8.082 15.564 1.00 2.80 H new ATOM 603 N VAL A 42 0.536 7.822 7.940 1.00 0.33 N ATOM 604 CA VAL A 42 1.594 8.270 7.042 1.00 0.39 C ATOM 605 C VAL A 42 1.913 9.746 7.259 1.00 0.43 C ATOM 606 O VAL A 42 1.080 10.506 7.750 1.00 0.49 O ATOM 607 CB VAL A 42 1.207 8.062 5.564 1.00 0.52 C ATOM 608 CG1 VAL A 42 2.341 8.496 4.652 1.00 0.97 C ATOM 609 CG2 VAL A 42 0.837 6.613 5.303 1.00 1.20 C ATOM 0 H VAL A 42 -0.212 8.501 8.080 1.00 0.33 H new ATOM 0 HA VAL A 42 2.473 7.668 7.272 1.00 0.39 H new ATOM 0 HB VAL A 42 0.335 8.679 5.349 1.00 0.52 H new ATOM 0 HG11 VAL A 42 2.051 8.342 3.613 1.00 0.97 H new ATOM 0 HG12 VAL A 42 2.556 9.552 4.816 1.00 0.97 H new ATOM 0 HG13 VAL A 42 3.231 7.906 4.871 1.00 0.97 H new ATOM 0 HG21 VAL A 42 0.567 6.490 4.254 1.00 1.20 H new ATOM 0 HG22 VAL A 42 1.687 5.973 5.537 1.00 1.20 H new ATOM 0 HG23 VAL A 42 -0.010 6.335 5.930 1.00 1.20 H new ATOM 619 N ALA A 43 3.126 10.144 6.890 1.00 0.47 N ATOM 620 CA ALA A 43 3.554 11.529 7.039 1.00 0.55 C ATOM 621 C ALA A 43 4.330 11.994 5.807 1.00 0.69 C ATOM 622 O ALA A 43 5.282 11.335 5.386 1.00 0.81 O ATOM 623 CB ALA A 43 4.408 11.682 8.287 1.00 0.55 C ATOM 0 H ALA A 43 3.830 9.526 6.486 1.00 0.47 H new ATOM 0 HA ALA A 43 2.666 12.153 7.139 1.00 0.55 H new ATOM 0 HB1 ALA A 43 4.722 12.721 8.388 1.00 0.55 H new ATOM 0 HB2 ALA A 43 3.828 11.392 9.163 1.00 0.55 H new ATOM 0 HB3 ALA A 43 5.288 11.043 8.206 1.00 0.55 H new ATOM 629 N PRO A 44 3.941 13.135 5.212 1.00 0.83 N ATOM 630 CA PRO A 44 4.613 13.671 4.022 1.00 1.00 C ATOM 631 C PRO A 44 6.100 13.913 4.260 1.00 0.98 C ATOM 632 O PRO A 44 6.926 13.705 3.371 1.00 1.15 O ATOM 633 CB PRO A 44 3.895 14.999 3.765 1.00 1.14 C ATOM 634 CG PRO A 44 2.577 14.864 4.447 1.00 1.34 C ATOM 635 CD PRO A 44 2.821 13.989 5.643 1.00 1.00 C ATOM 0 HA PRO A 44 4.562 12.977 3.183 1.00 1.00 H new ATOM 0 HB2 PRO A 44 4.463 15.839 4.166 1.00 1.14 H new ATOM 0 HB3 PRO A 44 3.770 15.180 2.697 1.00 1.14 H new ATOM 0 HG2 PRO A 44 2.191 15.838 4.748 1.00 1.34 H new ATOM 0 HG3 PRO A 44 1.837 14.419 3.782 1.00 1.34 H new ATOM 0 HD2 PRO A 44 3.078 14.575 6.525 1.00 1.00 H new ATOM 0 HD3 PRO A 44 1.940 13.400 5.897 1.00 1.00 H new ATOM 640 N LEU A 45 6.430 14.354 5.467 1.00 0.85 N ATOM 641 CA LEU A 45 7.813 14.634 5.832 1.00 0.90 C ATOM 642 C LEU A 45 8.676 13.378 5.728 1.00 0.91 C ATOM 643 O LEU A 45 9.783 13.419 5.190 1.00 1.23 O ATOM 644 CB LEU A 45 7.882 15.195 7.252 1.00 0.90 C ATOM 645 CG LEU A 45 9.282 15.584 7.726 1.00 1.76 C ATOM 646 CD1 LEU A 45 9.846 16.696 6.854 1.00 2.51 C ATOM 647 CD2 LEU A 45 9.253 16.009 9.186 1.00 2.25 C ATOM 0 H LEU A 45 5.756 14.526 6.213 1.00 0.85 H new ATOM 0 HA LEU A 45 8.201 15.375 5.133 1.00 0.90 H new ATOM 0 HB2 LEU A 45 7.238 16.072 7.312 1.00 0.90 H new ATOM 0 HB3 LEU A 45 7.475 14.454 7.940 1.00 0.90 H new ATOM 0 HG LEU A 45 9.932 14.714 7.638 1.00 1.76 H new ATOM 0 HD11 LEU A 45 10.843 16.962 7.204 1.00 2.51 H new ATOM 0 HD12 LEU A 45 9.903 16.354 5.820 1.00 2.51 H new ATOM 0 HD13 LEU A 45 9.196 17.569 6.912 1.00 2.51 H new ATOM 0 HD21 LEU A 45 10.259 16.282 9.505 1.00 2.25 H new ATOM 0 HD22 LEU A 45 8.590 16.866 9.302 1.00 2.25 H new ATOM 0 HD23 LEU A 45 8.890 15.184 9.798 1.00 2.25 H new ATOM 658 N GLY A 46 8.164 12.269 6.248 1.00 0.72 N ATOM 659 CA GLY A 46 8.904 11.022 6.207 1.00 0.72 C ATOM 660 C GLY A 46 8.793 10.246 7.505 1.00 0.66 C ATOM 661 O GLY A 46 9.487 10.545 8.476 1.00 0.77 O ATOM 0 H GLY A 46 7.250 12.211 6.697 1.00 0.72 H new ATOM 0 HA2 GLY A 46 8.533 10.408 5.386 1.00 0.72 H new ATOM 0 HA3 GLY A 46 9.953 11.231 6.000 1.00 0.72 H new ATOM 665 N ASP A 47 7.916 9.247 7.523 1.00 0.53 N ATOM 666 CA ASP A 47 7.715 8.434 8.715 1.00 0.49 C ATOM 667 C ASP A 47 7.338 7.001 8.347 1.00 0.46 C ATOM 668 O ASP A 47 7.071 6.702 7.183 1.00 0.46 O ATOM 669 CB ASP A 47 6.630 9.058 9.594 1.00 0.45 C ATOM 670 CG ASP A 47 7.090 10.350 10.245 1.00 0.78 C ATOM 671 OD1 ASP A 47 7.669 10.287 11.349 1.00 1.07 O ATOM 672 OD2 ASP A 47 6.869 11.424 9.648 1.00 0.94 O ATOM 0 H ASP A 47 7.335 8.982 6.727 1.00 0.53 H new ATOM 0 HA ASP A 47 8.653 8.403 9.270 1.00 0.49 H new ATOM 0 HB2 ASP A 47 5.744 9.253 8.990 1.00 0.45 H new ATOM 0 HB3 ASP A 47 6.339 8.347 10.367 1.00 0.45 H new ATOM 676 N PRO A 48 7.312 6.096 9.340 1.00 0.47 N ATOM 677 CA PRO A 48 6.966 4.699 9.126 1.00 0.47 C ATOM 678 C PRO A 48 5.459 4.488 9.146 1.00 0.37 C ATOM 679 O PRO A 48 4.788 4.796 10.130 1.00 0.38 O ATOM 680 CB PRO A 48 7.624 3.971 10.311 1.00 0.56 C ATOM 681 CG PRO A 48 8.237 5.033 11.174 1.00 0.61 C ATOM 682 CD PRO A 48 7.644 6.345 10.743 1.00 0.53 C ATOM 0 HA PRO A 48 7.305 4.336 8.156 1.00 0.47 H new ATOM 0 HB2 PRO A 48 6.887 3.394 10.870 1.00 0.56 H new ATOM 0 HB3 PRO A 48 8.381 3.269 9.963 1.00 0.56 H new ATOM 0 HG2 PRO A 48 8.028 4.843 12.227 1.00 0.61 H new ATOM 0 HG3 PRO A 48 9.321 5.044 11.061 1.00 0.61 H new ATOM 0 HD2 PRO A 48 6.762 6.604 11.329 1.00 0.53 H new ATOM 0 HD3 PRO A 48 8.352 7.166 10.853 1.00 0.53 H new ATOM 687 N VAL A 49 4.938 3.961 8.048 1.00 0.32 N ATOM 688 CA VAL A 49 3.510 3.719 7.916 1.00 0.26 C ATOM 689 C VAL A 49 3.196 2.229 8.012 1.00 0.28 C ATOM 690 O VAL A 49 4.050 1.380 7.758 1.00 0.39 O ATOM 691 CB VAL A 49 2.982 4.295 6.580 1.00 0.27 C ATOM 692 CG1 VAL A 49 3.943 3.970 5.448 1.00 0.35 C ATOM 693 CG2 VAL A 49 1.573 3.791 6.260 1.00 0.31 C ATOM 0 H VAL A 49 5.487 3.692 7.232 1.00 0.32 H new ATOM 0 HA VAL A 49 3.006 4.227 8.738 1.00 0.26 H new ATOM 0 HB VAL A 49 2.920 5.378 6.687 1.00 0.27 H new ATOM 0 HG11 VAL A 49 3.558 4.381 4.515 1.00 0.35 H new ATOM 0 HG12 VAL A 49 4.919 4.407 5.662 1.00 0.35 H new ATOM 0 HG13 VAL A 49 4.042 2.889 5.354 1.00 0.35 H new ATOM 0 HG21 VAL A 49 1.240 4.219 5.315 1.00 0.31 H new ATOM 0 HG22 VAL A 49 1.584 2.704 6.182 1.00 0.31 H new ATOM 0 HG23 VAL A 49 0.890 4.091 7.055 1.00 0.31 H new ATOM 703 N HIS A 50 1.957 1.929 8.384 1.00 0.29 N ATOM 704 CA HIS A 50 1.507 0.551 8.517 1.00 0.31 C ATOM 705 C HIS A 50 0.292 0.300 7.629 1.00 0.29 C ATOM 706 O HIS A 50 -0.667 1.070 7.642 1.00 0.31 O ATOM 707 CB HIS A 50 1.160 0.239 9.974 1.00 0.34 C ATOM 708 CG HIS A 50 2.316 0.402 10.911 1.00 0.37 C ATOM 709 ND1 HIS A 50 2.985 -0.665 11.474 1.00 1.13 N ATOM 710 CD2 HIS A 50 2.923 1.517 11.388 1.00 1.08 C ATOM 711 CE1 HIS A 50 3.952 -0.215 12.255 1.00 0.85 C ATOM 712 NE2 HIS A 50 3.936 1.105 12.220 1.00 0.68 N ATOM 0 H HIS A 50 1.244 2.626 8.599 1.00 0.29 H new ATOM 0 HA HIS A 50 2.318 -0.105 8.200 1.00 0.31 H new ATOM 0 HB2 HIS A 50 0.348 0.892 10.294 1.00 0.34 H new ATOM 0 HB3 HIS A 50 0.790 -0.784 10.040 1.00 0.34 H new ATOM 0 HD2 HIS A 50 2.659 2.539 11.157 1.00 1.08 H new ATOM 0 HE1 HIS A 50 4.639 -0.824 12.825 1.00 0.85 H new ATOM 0 HE2 HIS A 50 4.572 1.719 12.728 1.00 0.68 H new ATOM 720 N ILE A 51 0.342 -0.778 6.857 1.00 0.32 N ATOM 721 CA ILE A 51 -0.756 -1.124 5.964 1.00 0.32 C ATOM 722 C ILE A 51 -1.583 -2.271 6.531 1.00 0.32 C ATOM 723 O ILE A 51 -1.037 -3.245 7.052 1.00 0.31 O ATOM 724 CB ILE A 51 -0.241 -1.514 4.567 1.00 0.34 C ATOM 725 CG1 ILE A 51 0.624 -2.774 4.652 1.00 0.34 C ATOM 726 CG2 ILE A 51 0.545 -0.365 3.955 1.00 0.36 C ATOM 727 CD1 ILE A 51 1.244 -3.171 3.328 1.00 0.36 C ATOM 0 H ILE A 51 1.129 -1.426 6.831 1.00 0.32 H new ATOM 0 HA ILE A 51 -1.385 -0.238 5.875 1.00 0.32 H new ATOM 0 HB ILE A 51 -1.096 -1.727 3.925 1.00 0.34 H new ATOM 0 HG12 ILE A 51 1.417 -2.612 5.382 1.00 0.34 H new ATOM 0 HG13 ILE A 51 0.015 -3.599 5.021 1.00 0.34 H new ATOM 0 HG21 ILE A 51 0.903 -0.655 2.967 1.00 0.36 H new ATOM 0 HG22 ILE A 51 -0.099 0.510 3.865 1.00 0.36 H new ATOM 0 HG23 ILE A 51 1.395 -0.125 4.593 1.00 0.36 H new ATOM 0 HD11 ILE A 51 1.843 -4.071 3.462 1.00 0.36 H new ATOM 0 HD12 ILE A 51 0.456 -3.365 2.601 1.00 0.36 H new ATOM 0 HD13 ILE A 51 1.880 -2.363 2.967 1.00 0.36 H new ATOM 738 N GLU A 52 -2.900 -2.147 6.429 1.00 0.36 N ATOM 739 CA GLU A 52 -3.802 -3.177 6.929 1.00 0.39 C ATOM 740 C GLU A 52 -4.428 -3.953 5.775 1.00 0.42 C ATOM 741 O GLU A 52 -5.087 -3.376 4.910 1.00 0.43 O ATOM 742 CB GLU A 52 -4.897 -2.550 7.793 1.00 0.45 C ATOM 743 CG GLU A 52 -5.841 -3.571 8.411 1.00 1.01 C ATOM 744 CD GLU A 52 -6.913 -2.930 9.271 1.00 1.46 C ATOM 745 OE1 GLU A 52 -6.660 -2.720 10.476 1.00 2.13 O ATOM 746 OE2 GLU A 52 -8.003 -2.635 8.740 1.00 1.91 O ATOM 0 H GLU A 52 -3.367 -1.345 6.005 1.00 0.36 H new ATOM 0 HA GLU A 52 -3.223 -3.870 7.539 1.00 0.39 H new ATOM 0 HB2 GLU A 52 -4.432 -1.968 8.589 1.00 0.45 H new ATOM 0 HB3 GLU A 52 -5.475 -1.854 7.185 1.00 0.45 H new ATOM 0 HG2 GLU A 52 -6.315 -4.149 7.618 1.00 1.01 H new ATOM 0 HG3 GLU A 52 -5.266 -4.272 9.016 1.00 1.01 H new ATOM 751 N THR A 53 -4.213 -5.264 5.769 1.00 0.52 N ATOM 752 CA THR A 53 -4.755 -6.122 4.722 1.00 0.58 C ATOM 753 C THR A 53 -5.600 -7.242 5.317 1.00 0.61 C ATOM 754 O THR A 53 -5.861 -7.263 6.521 1.00 0.60 O ATOM 755 CB THR A 53 -3.634 -6.739 3.865 1.00 0.59 C ATOM 756 OG1 THR A 53 -2.840 -7.625 4.659 1.00 0.55 O ATOM 757 CG2 THR A 53 -2.748 -5.652 3.274 1.00 0.64 C ATOM 0 H THR A 53 -3.668 -5.755 6.477 1.00 0.52 H new ATOM 0 HA THR A 53 -5.381 -5.494 4.088 1.00 0.58 H new ATOM 0 HB THR A 53 -4.095 -7.297 3.050 1.00 0.59 H new ATOM 0 HG1 THR A 53 -2.451 -7.131 5.410 1.00 0.55 H new ATOM 0 HG21 THR A 53 -1.963 -6.110 2.672 1.00 0.64 H new ATOM 0 HG22 THR A 53 -3.349 -4.994 2.646 1.00 0.64 H new ATOM 0 HG23 THR A 53 -2.297 -5.073 4.079 1.00 0.64 H new ATOM 765 N ARG A 54 -6.026 -8.172 4.469 1.00 0.68 N ATOM 766 CA ARG A 54 -6.847 -9.293 4.913 1.00 0.73 C ATOM 767 C ARG A 54 -6.238 -9.979 6.131 1.00 0.67 C ATOM 768 O ARG A 54 -5.419 -10.886 6.001 1.00 0.69 O ATOM 769 CB ARG A 54 -7.023 -10.306 3.780 1.00 0.84 C ATOM 770 CG ARG A 54 -7.806 -11.541 4.189 1.00 1.47 C ATOM 771 CD ARG A 54 -9.198 -11.179 4.683 1.00 1.53 C ATOM 772 NE ARG A 54 -9.961 -12.359 5.077 1.00 2.10 N ATOM 773 CZ ARG A 54 -11.236 -12.320 5.451 1.00 2.32 C ATOM 774 NH1 ARG A 54 -11.885 -11.163 5.484 1.00 1.97 N ATOM 775 NH2 ARG A 54 -11.864 -13.437 5.791 1.00 3.04 N ATOM 0 H ARG A 54 -5.817 -8.172 3.471 1.00 0.68 H new ATOM 0 HA ARG A 54 -7.822 -8.898 5.196 1.00 0.73 H new ATOM 0 HB2 ARG A 54 -7.532 -9.822 2.946 1.00 0.84 H new ATOM 0 HB3 ARG A 54 -6.040 -10.611 3.420 1.00 0.84 H new ATOM 0 HG2 ARG A 54 -7.885 -12.221 3.341 1.00 1.47 H new ATOM 0 HG3 ARG A 54 -7.267 -12.072 4.974 1.00 1.47 H new ATOM 0 HD2 ARG A 54 -9.117 -10.500 5.532 1.00 1.53 H new ATOM 0 HD3 ARG A 54 -9.734 -10.646 3.898 1.00 1.53 H new ATOM 0 HE ARG A 54 -9.490 -13.264 5.065 1.00 2.10 H new ATOM 0 HH11 ARG A 54 -11.406 -10.302 5.222 1.00 1.97 H new ATOM 0 HH12 ARG A 54 -12.863 -11.135 5.771 1.00 1.97 H new ATOM 0 HH21 ARG A 54 -11.369 -14.328 5.766 1.00 3.04 H new ATOM 0 HH22 ARG A 54 -12.842 -13.405 6.078 1.00 3.04 H new ATOM 786 N ARG A 55 -6.645 -9.533 7.314 1.00 0.66 N ATOM 787 CA ARG A 55 -6.158 -10.101 8.563 1.00 0.66 C ATOM 788 C ARG A 55 -4.632 -10.106 8.617 1.00 0.62 C ATOM 789 O ARG A 55 -4.027 -11.005 9.200 1.00 0.70 O ATOM 790 CB ARG A 55 -6.689 -11.526 8.737 1.00 0.73 C ATOM 791 CG ARG A 55 -8.203 -11.601 8.854 1.00 1.06 C ATOM 792 CD ARG A 55 -8.712 -10.806 10.045 1.00 1.67 C ATOM 793 NE ARG A 55 -8.147 -11.281 11.304 1.00 2.43 N ATOM 794 CZ ARG A 55 -8.660 -10.993 12.495 1.00 3.17 C ATOM 795 NH1 ARG A 55 -9.752 -10.244 12.584 1.00 3.34 N ATOM 796 NH2 ARG A 55 -8.086 -11.457 13.597 1.00 4.11 N ATOM 0 H ARG A 55 -7.316 -8.774 7.433 1.00 0.66 H new ATOM 0 HA ARG A 55 -6.523 -9.476 9.378 1.00 0.66 H new ATOM 0 HB2 ARG A 55 -6.368 -12.131 7.889 1.00 0.73 H new ATOM 0 HB3 ARG A 55 -6.242 -11.965 9.629 1.00 0.73 H new ATOM 0 HG2 ARG A 55 -8.658 -11.220 7.940 1.00 1.06 H new ATOM 0 HG3 ARG A 55 -8.510 -12.642 8.953 1.00 1.06 H new ATOM 0 HD2 ARG A 55 -8.463 -9.753 9.911 1.00 1.67 H new ATOM 0 HD3 ARG A 55 -9.799 -10.874 10.088 1.00 1.67 H new ATOM 0 HE ARG A 55 -7.312 -11.866 11.267 1.00 2.43 H new ATOM 0 HH11 ARG A 55 -10.198 -9.889 11.738 1.00 3.34 H new ATOM 0 HH12 ARG A 55 -10.146 -10.023 13.499 1.00 3.34 H new ATOM 0 HH21 ARG A 55 -7.249 -12.036 13.531 1.00 4.11 H new ATOM 0 HH22 ARG A 55 -8.482 -11.235 14.510 1.00 4.11 H new ATOM 807 N VAL A 56 -4.015 -9.095 8.014 1.00 0.58 N ATOM 808 CA VAL A 56 -2.560 -8.990 8.004 1.00 0.57 C ATOM 809 C VAL A 56 -2.110 -7.535 7.931 1.00 0.49 C ATOM 810 O VAL A 56 -2.182 -6.903 6.878 1.00 0.50 O ATOM 811 CB VAL A 56 -1.947 -9.767 6.821 1.00 0.66 C ATOM 812 CG1 VAL A 56 -0.431 -9.642 6.825 1.00 1.02 C ATOM 813 CG2 VAL A 56 -2.365 -11.229 6.867 1.00 1.23 C ATOM 0 H VAL A 56 -4.497 -8.339 7.528 1.00 0.58 H new ATOM 0 HA VAL A 56 -2.208 -9.428 8.938 1.00 0.57 H new ATOM 0 HB VAL A 56 -2.323 -9.333 5.895 1.00 0.66 H new ATOM 0 HG11 VAL A 56 -0.018 -10.197 5.983 1.00 1.02 H new ATOM 0 HG12 VAL A 56 -0.152 -8.592 6.739 1.00 1.02 H new ATOM 0 HG13 VAL A 56 -0.035 -10.047 7.756 1.00 1.02 H new ATOM 0 HG21 VAL A 56 -1.923 -11.761 6.024 1.00 1.23 H new ATOM 0 HG22 VAL A 56 -2.021 -11.677 7.799 1.00 1.23 H new ATOM 0 HG23 VAL A 56 -3.451 -11.299 6.810 1.00 1.23 H new ATOM 823 N SER A 57 -1.646 -7.008 9.060 1.00 0.48 N ATOM 824 CA SER A 57 -1.177 -5.629 9.123 1.00 0.43 C ATOM 825 C SER A 57 0.342 -5.569 8.991 1.00 0.42 C ATOM 826 O SER A 57 1.068 -5.944 9.911 1.00 0.46 O ATOM 827 CB SER A 57 -1.612 -4.981 10.439 1.00 0.51 C ATOM 828 OG SER A 57 -1.167 -3.638 10.518 1.00 0.64 O ATOM 0 H SER A 57 -1.585 -7.515 9.943 1.00 0.48 H new ATOM 0 HA SER A 57 -1.620 -5.080 8.292 1.00 0.43 H new ATOM 0 HB2 SER A 57 -2.698 -5.013 10.522 1.00 0.51 H new ATOM 0 HB3 SER A 57 -1.211 -5.550 11.278 1.00 0.51 H new ATOM 0 HG SER A 57 -1.459 -3.246 11.367 1.00 0.64 H new ATOM 833 N LEU A 58 0.817 -5.096 7.842 1.00 0.38 N ATOM 834 CA LEU A 58 2.250 -4.995 7.595 1.00 0.40 C ATOM 835 C LEU A 58 2.733 -3.555 7.740 1.00 0.37 C ATOM 836 O LEU A 58 1.967 -2.610 7.551 1.00 0.38 O ATOM 837 CB LEU A 58 2.587 -5.518 6.198 1.00 0.43 C ATOM 838 CG LEU A 58 4.081 -5.633 5.895 1.00 0.96 C ATOM 839 CD1 LEU A 58 4.743 -6.615 6.849 1.00 1.50 C ATOM 840 CD2 LEU A 58 4.300 -6.062 4.452 1.00 1.54 C ATOM 0 H LEU A 58 0.231 -4.778 7.070 1.00 0.38 H new ATOM 0 HA LEU A 58 2.762 -5.606 8.339 1.00 0.40 H new ATOM 0 HB2 LEU A 58 2.130 -6.500 6.074 1.00 0.43 H new ATOM 0 HB3 LEU A 58 2.131 -4.858 5.460 1.00 0.43 H new ATOM 0 HG LEU A 58 4.538 -4.654 6.036 1.00 0.96 H new ATOM 0 HD11 LEU A 58 5.806 -6.685 6.619 1.00 1.50 H new ATOM 0 HD12 LEU A 58 4.615 -6.268 7.874 1.00 1.50 H new ATOM 0 HD13 LEU A 58 4.283 -7.597 6.738 1.00 1.50 H new ATOM 0 HD21 LEU A 58 5.369 -6.139 4.254 1.00 1.54 H new ATOM 0 HD22 LEU A 58 3.829 -7.031 4.285 1.00 1.54 H new ATOM 0 HD23 LEU A 58 3.859 -5.324 3.782 1.00 1.54 H new ATOM 851 N VAL A 59 4.010 -3.399 8.077 1.00 0.41 N ATOM 852 CA VAL A 59 4.602 -2.077 8.244 1.00 0.40 C ATOM 853 C VAL A 59 5.622 -1.791 7.147 1.00 0.40 C ATOM 854 O VAL A 59 6.509 -2.602 6.885 1.00 0.47 O ATOM 855 CB VAL A 59 5.289 -1.938 9.616 1.00 0.45 C ATOM 856 CG1 VAL A 59 6.367 -2.996 9.785 1.00 0.50 C ATOM 857 CG2 VAL A 59 5.871 -0.542 9.784 1.00 0.45 C ATOM 0 H VAL A 59 4.654 -4.173 8.240 1.00 0.41 H new ATOM 0 HA VAL A 59 3.788 -1.355 8.179 1.00 0.40 H new ATOM 0 HB VAL A 59 4.539 -2.090 10.393 1.00 0.45 H new ATOM 0 HG11 VAL A 59 6.840 -2.881 10.760 1.00 0.50 H new ATOM 0 HG12 VAL A 59 5.919 -3.987 9.714 1.00 0.50 H new ATOM 0 HG13 VAL A 59 7.116 -2.880 9.002 1.00 0.50 H new ATOM 0 HG21 VAL A 59 6.352 -0.463 10.759 1.00 0.45 H new ATOM 0 HG22 VAL A 59 6.606 -0.358 9.001 1.00 0.45 H new ATOM 0 HG23 VAL A 59 5.072 0.196 9.713 1.00 0.45 H new ATOM 867 N LEU A 60 5.490 -0.633 6.511 1.00 0.39 N ATOM 868 CA LEU A 60 6.401 -0.241 5.441 1.00 0.40 C ATOM 869 C LEU A 60 6.920 1.177 5.660 1.00 0.38 C ATOM 870 O LEU A 60 6.158 2.081 6.003 1.00 0.48 O ATOM 871 CB LEU A 60 5.692 -0.334 4.088 1.00 0.45 C ATOM 872 CG LEU A 60 5.113 -1.709 3.754 1.00 0.61 C ATOM 873 CD1 LEU A 60 4.359 -1.660 2.435 1.00 0.77 C ATOM 874 CD2 LEU A 60 6.216 -2.755 3.705 1.00 0.97 C ATOM 0 H LEU A 60 4.762 0.051 6.717 1.00 0.39 H new ATOM 0 HA LEU A 60 7.251 -0.923 5.449 1.00 0.40 H new ATOM 0 HB2 LEU A 60 4.885 0.398 4.067 1.00 0.45 H new ATOM 0 HB3 LEU A 60 6.397 -0.054 3.305 1.00 0.45 H new ATOM 0 HG LEU A 60 4.412 -1.990 4.540 1.00 0.61 H new ATOM 0 HD11 LEU A 60 3.953 -2.646 2.211 1.00 0.77 H new ATOM 0 HD12 LEU A 60 3.544 -0.940 2.508 1.00 0.77 H new ATOM 0 HD13 LEU A 60 5.039 -1.358 1.638 1.00 0.77 H new ATOM 0 HD21 LEU A 60 5.785 -3.727 3.466 1.00 0.97 H new ATOM 0 HD22 LEU A 60 6.943 -2.482 2.940 1.00 0.97 H new ATOM 0 HD23 LEU A 60 6.712 -2.806 4.674 1.00 0.97 H new ATOM 885 N ARG A 61 8.222 1.365 5.459 1.00 0.51 N ATOM 886 CA ARG A 61 8.840 2.672 5.635 1.00 0.58 C ATOM 887 C ARG A 61 9.108 3.336 4.290 1.00 0.54 C ATOM 888 O ARG A 61 9.158 2.673 3.255 1.00 0.59 O ATOM 889 CB ARG A 61 10.150 2.536 6.413 1.00 0.69 C ATOM 890 CG ARG A 61 9.979 1.938 7.799 1.00 1.34 C ATOM 891 CD ARG A 61 11.318 1.747 8.492 1.00 1.51 C ATOM 892 NE ARG A 61 11.161 1.222 9.845 1.00 2.06 N ATOM 893 CZ ARG A 61 12.182 0.857 10.617 1.00 2.47 C ATOM 894 NH1 ARG A 61 13.426 0.968 10.173 1.00 2.45 N ATOM 895 NH2 ARG A 61 11.956 0.382 11.834 1.00 3.32 N ATOM 0 H ARG A 61 8.867 0.628 5.174 1.00 0.51 H new ATOM 0 HA ARG A 61 8.148 3.298 6.198 1.00 0.58 H new ATOM 0 HB2 ARG A 61 10.839 1.914 5.841 1.00 0.69 H new ATOM 0 HB3 ARG A 61 10.611 3.519 6.506 1.00 0.69 H new ATOM 0 HG2 ARG A 61 9.346 2.589 8.402 1.00 1.34 H new ATOM 0 HG3 ARG A 61 9.468 0.978 7.722 1.00 1.34 H new ATOM 0 HD2 ARG A 61 11.935 1.065 7.907 1.00 1.51 H new ATOM 0 HD3 ARG A 61 11.846 2.700 8.531 1.00 1.51 H new ATOM 0 HE ARG A 61 10.217 1.130 10.219 1.00 2.06 H new ATOM 0 HH11 ARG A 61 13.603 1.334 9.237 1.00 2.45 H new ATOM 0 HH12 ARG A 61 14.206 0.688 10.767 1.00 2.45 H new ATOM 0 HH21 ARG A 61 11.000 0.296 12.179 1.00 3.32 H new ATOM 0 HH22 ARG A 61 12.738 0.102 12.426 1.00 3.32 H new ATOM 906 N LYS A 62 9.282 4.653 4.318 1.00 0.69 N ATOM 907 CA LYS A 62 9.555 5.431 3.113 1.00 0.74 C ATOM 908 C LYS A 62 10.564 4.726 2.209 1.00 0.68 C ATOM 909 O LYS A 62 10.453 4.767 0.984 1.00 0.76 O ATOM 910 CB LYS A 62 10.092 6.812 3.496 1.00 0.92 C ATOM 911 CG LYS A 62 11.492 6.780 4.095 1.00 1.88 C ATOM 912 CD LYS A 62 11.508 6.134 5.476 1.00 2.95 C ATOM 913 CE LYS A 62 12.900 6.137 6.080 1.00 3.60 C ATOM 914 NZ LYS A 62 13.430 7.517 6.255 1.00 4.70 N ATOM 0 H LYS A 62 9.238 5.210 5.172 1.00 0.69 H new ATOM 0 HA LYS A 62 8.619 5.536 2.564 1.00 0.74 H new ATOM 0 HB2 LYS A 62 10.100 7.447 2.610 1.00 0.92 H new ATOM 0 HB3 LYS A 62 9.410 7.271 4.212 1.00 0.92 H new ATOM 0 HG2 LYS A 62 12.158 6.230 3.430 1.00 1.88 H new ATOM 0 HG3 LYS A 62 11.879 7.796 4.166 1.00 1.88 H new ATOM 0 HD2 LYS A 62 10.824 6.668 6.136 1.00 2.95 H new ATOM 0 HD3 LYS A 62 11.145 5.109 5.403 1.00 2.95 H new ATOM 0 HE2 LYS A 62 12.877 5.633 7.046 1.00 3.60 H new ATOM 0 HE3 LYS A 62 13.574 5.568 5.439 1.00 3.60 H new ATOM 0 HZ1 LYS A 62 14.253 7.495 6.890 1.00 4.70 H new ATOM 0 HZ2 LYS A 62 13.716 7.899 5.331 1.00 4.70 H new ATOM 0 HZ3 LYS A 62 12.692 8.123 6.667 1.00 4.70 H new ATOM 924 N LYS A 63 11.549 4.081 2.824 1.00 0.64 N ATOM 925 CA LYS A 63 12.582 3.370 2.081 1.00 0.71 C ATOM 926 C LYS A 63 11.992 2.201 1.302 1.00 0.63 C ATOM 927 O LYS A 63 12.451 1.878 0.207 1.00 0.73 O ATOM 928 CB LYS A 63 13.665 2.870 3.036 1.00 0.88 C ATOM 929 CG LYS A 63 13.136 1.964 4.136 1.00 0.88 C ATOM 930 CD LYS A 63 14.158 1.777 5.244 1.00 1.10 C ATOM 931 CE LYS A 63 15.441 1.156 4.717 1.00 1.67 C ATOM 932 NZ LYS A 63 16.455 0.981 5.794 1.00 2.28 N ATOM 0 H LYS A 63 11.654 4.036 3.838 1.00 0.64 H new ATOM 0 HA LYS A 63 13.025 4.064 1.367 1.00 0.71 H new ATOM 0 HB2 LYS A 63 14.421 2.331 2.465 1.00 0.88 H new ATOM 0 HB3 LYS A 63 14.161 3.728 3.490 1.00 0.88 H new ATOM 0 HG2 LYS A 63 12.222 2.389 4.551 1.00 0.88 H new ATOM 0 HG3 LYS A 63 12.873 0.994 3.715 1.00 0.88 H new ATOM 0 HD2 LYS A 63 14.380 2.741 5.702 1.00 1.10 H new ATOM 0 HD3 LYS A 63 13.739 1.142 6.024 1.00 1.10 H new ATOM 0 HE2 LYS A 63 15.218 0.188 4.267 1.00 1.67 H new ATOM 0 HE3 LYS A 63 15.853 1.787 3.929 1.00 1.67 H new ATOM 0 HZ1 LYS A 63 17.316 0.555 5.395 1.00 2.28 H new ATOM 0 HZ2 LYS A 63 16.687 1.907 6.206 1.00 2.28 H new ATOM 0 HZ3 LYS A 63 16.072 0.359 6.534 1.00 2.28 H new ATOM 942 N ASP A 64 10.973 1.568 1.873 1.00 0.54 N ATOM 943 CA ASP A 64 10.322 0.434 1.227 1.00 0.54 C ATOM 944 C ASP A 64 9.298 0.903 0.197 1.00 0.46 C ATOM 945 O ASP A 64 8.971 0.176 -0.741 1.00 0.56 O ATOM 946 CB ASP A 64 9.646 -0.458 2.269 1.00 0.56 C ATOM 947 CG ASP A 64 9.009 -1.687 1.649 1.00 1.38 C ATOM 948 OD1 ASP A 64 7.861 -1.581 1.169 1.00 2.30 O ATOM 949 OD2 ASP A 64 9.660 -2.752 1.639 1.00 1.49 O ATOM 0 H ASP A 64 10.581 1.820 2.780 1.00 0.54 H new ATOM 0 HA ASP A 64 11.089 -0.143 0.710 1.00 0.54 H new ATOM 0 HB2 ASP A 64 10.382 -0.768 3.011 1.00 0.56 H new ATOM 0 HB3 ASP A 64 8.884 0.116 2.796 1.00 0.56 H new ATOM 953 N LEU A 65 8.797 2.124 0.376 1.00 0.39 N ATOM 954 CA LEU A 65 7.810 2.685 -0.542 1.00 0.41 C ATOM 955 C LEU A 65 8.482 3.364 -1.734 1.00 0.45 C ATOM 956 O LEU A 65 7.865 3.543 -2.784 1.00 0.52 O ATOM 957 CB LEU A 65 6.910 3.688 0.184 1.00 0.51 C ATOM 958 CG LEU A 65 5.910 3.073 1.166 1.00 0.49 C ATOM 959 CD1 LEU A 65 6.622 2.570 2.413 1.00 0.67 C ATOM 960 CD2 LEU A 65 4.836 4.086 1.534 1.00 0.70 C ATOM 0 H LEU A 65 9.058 2.741 1.145 1.00 0.39 H new ATOM 0 HA LEU A 65 7.202 1.861 -0.914 1.00 0.41 H new ATOM 0 HB2 LEU A 65 7.541 4.392 0.726 1.00 0.51 H new ATOM 0 HB3 LEU A 65 6.358 4.262 -0.560 1.00 0.51 H new ATOM 0 HG LEU A 65 5.431 2.222 0.681 1.00 0.49 H new ATOM 0 HD11 LEU A 65 5.893 2.137 3.098 1.00 0.67 H new ATOM 0 HD12 LEU A 65 7.353 1.812 2.133 1.00 0.67 H new ATOM 0 HD13 LEU A 65 7.130 3.401 2.902 1.00 0.67 H new ATOM 0 HD21 LEU A 65 4.133 3.633 2.233 1.00 0.70 H new ATOM 0 HD22 LEU A 65 5.300 4.956 1.999 1.00 0.70 H new ATOM 0 HD23 LEU A 65 4.304 4.396 0.634 1.00 0.70 H new ATOM 971 N ALA A 66 9.748 3.738 -1.569 1.00 0.46 N ATOM 972 CA ALA A 66 10.494 4.397 -2.635 1.00 0.52 C ATOM 973 C ALA A 66 10.769 3.443 -3.793 1.00 0.50 C ATOM 974 O ALA A 66 10.968 3.872 -4.930 1.00 0.66 O ATOM 975 CB ALA A 66 11.799 4.962 -2.092 1.00 0.60 C ATOM 0 H ALA A 66 10.277 3.596 -0.709 1.00 0.46 H new ATOM 0 HA ALA A 66 9.884 5.216 -3.016 1.00 0.52 H new ATOM 0 HB1 ALA A 66 12.347 5.451 -2.897 1.00 0.60 H new ATOM 0 HB2 ALA A 66 11.583 5.687 -1.307 1.00 0.60 H new ATOM 0 HB3 ALA A 66 12.403 4.153 -1.682 1.00 0.60 H new ATOM 981 N LEU A 67 10.781 2.145 -3.499 1.00 0.37 N ATOM 982 CA LEU A 67 11.037 1.132 -4.518 1.00 0.35 C ATOM 983 C LEU A 67 9.738 0.645 -5.155 1.00 0.31 C ATOM 984 O LEU A 67 9.577 0.704 -6.375 1.00 0.30 O ATOM 985 CB LEU A 67 11.796 -0.050 -3.911 1.00 0.38 C ATOM 986 CG LEU A 67 13.216 0.266 -3.437 1.00 0.43 C ATOM 987 CD1 LEU A 67 13.850 -0.960 -2.798 1.00 0.48 C ATOM 988 CD2 LEU A 67 14.063 0.766 -4.598 1.00 0.47 C ATOM 0 H LEU A 67 10.617 1.771 -2.564 1.00 0.37 H new ATOM 0 HA LEU A 67 11.647 1.589 -5.297 1.00 0.35 H new ATOM 0 HB2 LEU A 67 11.224 -0.434 -3.066 1.00 0.38 H new ATOM 0 HB3 LEU A 67 11.846 -0.849 -4.651 1.00 0.38 H new ATOM 0 HG LEU A 67 13.164 1.054 -2.685 1.00 0.43 H new ATOM 0 HD11 LEU A 67 14.860 -0.717 -2.467 1.00 0.48 H new ATOM 0 HD12 LEU A 67 13.253 -1.274 -1.942 1.00 0.48 H new ATOM 0 HD13 LEU A 67 13.892 -1.769 -3.527 1.00 0.48 H new ATOM 0 HD21 LEU A 67 15.070 0.987 -4.245 1.00 0.47 H new ATOM 0 HD22 LEU A 67 14.109 -0.001 -5.371 1.00 0.47 H new ATOM 0 HD23 LEU A 67 13.617 1.671 -5.011 1.00 0.47 H new ATOM 999 N ILE A 68 8.816 0.165 -4.327 1.00 0.31 N ATOM 1000 CA ILE A 68 7.537 -0.332 -4.819 1.00 0.30 C ATOM 1001 C ILE A 68 6.710 0.793 -5.431 1.00 0.30 C ATOM 1002 O ILE A 68 6.827 1.950 -5.028 1.00 0.37 O ATOM 1003 CB ILE A 68 6.720 -1.002 -3.696 1.00 0.34 C ATOM 1004 CG1 ILE A 68 6.344 0.024 -2.627 1.00 0.38 C ATOM 1005 CG2 ILE A 68 7.504 -2.151 -3.079 1.00 0.38 C ATOM 1006 CD1 ILE A 68 5.554 -0.561 -1.477 1.00 0.43 C ATOM 0 H ILE A 68 8.930 0.110 -3.315 1.00 0.31 H new ATOM 0 HA ILE A 68 7.762 -1.075 -5.585 1.00 0.30 H new ATOM 0 HB ILE A 68 5.803 -1.404 -4.128 1.00 0.34 H new ATOM 0 HG12 ILE A 68 7.254 0.480 -2.237 1.00 0.38 H new ATOM 0 HG13 ILE A 68 5.761 0.821 -3.089 1.00 0.38 H new ATOM 0 HG21 ILE A 68 6.912 -2.612 -2.288 1.00 0.38 H new ATOM 0 HG22 ILE A 68 7.726 -2.893 -3.846 1.00 0.38 H new ATOM 0 HG23 ILE A 68 8.436 -1.772 -2.660 1.00 0.38 H new ATOM 0 HD11 ILE A 68 5.323 0.225 -0.758 1.00 0.43 H new ATOM 0 HD12 ILE A 68 4.627 -0.992 -1.855 1.00 0.43 H new ATOM 0 HD13 ILE A 68 6.143 -1.338 -0.989 1.00 0.43 H new ATOM 1017 N GLU A 69 5.875 0.446 -6.404 1.00 0.29 N ATOM 1018 CA GLU A 69 5.034 1.431 -7.073 1.00 0.32 C ATOM 1019 C GLU A 69 3.610 1.391 -6.524 1.00 0.31 C ATOM 1020 O GLU A 69 3.086 0.321 -6.208 1.00 0.37 O ATOM 1021 CB GLU A 69 5.017 1.177 -8.581 1.00 0.34 C ATOM 1022 CG GLU A 69 4.393 2.309 -9.381 1.00 0.44 C ATOM 1023 CD GLU A 69 4.383 2.029 -10.872 1.00 1.30 C ATOM 1024 OE1 GLU A 69 5.439 2.207 -11.516 1.00 1.26 O ATOM 1025 OE2 GLU A 69 3.319 1.637 -11.394 1.00 2.29 O ATOM 0 H GLU A 69 5.763 -0.508 -6.746 1.00 0.29 H new ATOM 0 HA GLU A 69 5.452 2.419 -6.882 1.00 0.32 H new ATOM 0 HB2 GLU A 69 6.039 1.019 -8.926 1.00 0.34 H new ATOM 0 HB3 GLU A 69 4.468 0.257 -8.780 1.00 0.34 H new ATOM 0 HG2 GLU A 69 3.371 2.472 -9.038 1.00 0.44 H new ATOM 0 HG3 GLU A 69 4.944 3.230 -9.191 1.00 0.44 H new ATOM 1030 N LEU A 70 2.988 2.559 -6.416 1.00 0.32 N ATOM 1031 CA LEU A 70 1.625 2.656 -5.908 1.00 0.33 C ATOM 1032 C LEU A 70 0.686 3.200 -6.979 1.00 0.33 C ATOM 1033 O LEU A 70 1.094 3.982 -7.836 1.00 0.45 O ATOM 1034 CB LEU A 70 1.577 3.556 -4.671 1.00 0.38 C ATOM 1035 CG LEU A 70 2.478 3.124 -3.511 1.00 0.95 C ATOM 1036 CD1 LEU A 70 2.273 1.650 -3.195 1.00 1.25 C ATOM 1037 CD2 LEU A 70 3.939 3.408 -3.829 1.00 1.85 C ATOM 0 H LEU A 70 3.406 3.453 -6.674 1.00 0.32 H new ATOM 0 HA LEU A 70 1.297 1.654 -5.631 1.00 0.33 H new ATOM 0 HB2 LEU A 70 1.854 4.568 -4.967 1.00 0.38 H new ATOM 0 HB3 LEU A 70 0.548 3.599 -4.313 1.00 0.38 H new ATOM 0 HG LEU A 70 2.203 3.704 -2.630 1.00 0.95 H new ATOM 0 HD11 LEU A 70 2.922 1.362 -2.368 1.00 1.25 H new ATOM 0 HD12 LEU A 70 1.233 1.479 -2.917 1.00 1.25 H new ATOM 0 HD13 LEU A 70 2.517 1.052 -4.073 1.00 1.25 H new ATOM 0 HD21 LEU A 70 4.561 3.093 -2.991 1.00 1.85 H new ATOM 0 HD22 LEU A 70 4.230 2.858 -4.724 1.00 1.85 H new ATOM 0 HD23 LEU A 70 4.073 4.476 -4.000 1.00 1.85 H new ATOM 1048 N GLU A 71 -0.574 2.780 -6.925 1.00 0.35 N ATOM 1049 CA GLU A 71 -1.567 3.226 -7.894 1.00 0.38 C ATOM 1050 C GLU A 71 -2.935 3.391 -7.237 1.00 0.37 C ATOM 1051 O GLU A 71 -3.219 2.776 -6.210 1.00 0.52 O ATOM 1052 CB GLU A 71 -1.664 2.231 -9.052 1.00 0.47 C ATOM 1053 CG GLU A 71 -2.626 2.662 -10.148 1.00 0.54 C ATOM 1054 CD GLU A 71 -2.230 3.979 -10.786 1.00 1.31 C ATOM 1055 OE1 GLU A 71 -2.663 5.037 -10.282 1.00 2.24 O ATOM 1056 OE2 GLU A 71 -1.486 3.953 -11.789 1.00 1.26 O ATOM 0 H GLU A 71 -0.930 2.133 -6.222 1.00 0.35 H new ATOM 0 HA GLU A 71 -1.249 4.195 -8.280 1.00 0.38 H new ATOM 0 HB2 GLU A 71 -0.673 2.092 -9.484 1.00 0.47 H new ATOM 0 HB3 GLU A 71 -1.980 1.263 -8.663 1.00 0.47 H new ATOM 0 HG2 GLU A 71 -2.667 1.889 -10.915 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -3.629 2.751 -9.731 1.00 0.54 H new ATOM 1061 N ALA A 72 -3.778 4.227 -7.837 1.00 0.45 N ATOM 1062 CA ALA A 72 -5.117 4.469 -7.309 1.00 0.52 C ATOM 1063 C ALA A 72 -5.847 3.157 -7.049 1.00 0.44 C ATOM 1064 O ALA A 72 -5.440 2.102 -7.536 1.00 0.53 O ATOM 1065 CB ALA A 72 -5.915 5.334 -8.274 1.00 0.76 C ATOM 0 H ALA A 72 -3.558 4.747 -8.687 1.00 0.45 H new ATOM 0 HA ALA A 72 -5.018 4.996 -6.360 1.00 0.52 H new ATOM 0 HB1 ALA A 72 -6.912 5.507 -7.868 1.00 0.76 H new ATOM 0 HB2 ALA A 72 -5.408 6.289 -8.411 1.00 0.76 H new ATOM 0 HB3 ALA A 72 -5.997 4.826 -9.235 1.00 0.76 H new ATOM 1071 N VAL A 73 -6.927 3.231 -6.280 1.00 0.58 N ATOM 1072 CA VAL A 73 -7.714 2.047 -5.957 1.00 0.64 C ATOM 1073 C VAL A 73 -8.896 1.895 -6.907 1.00 0.83 C ATOM 1074 O VAL A 73 -9.349 2.869 -7.511 1.00 0.99 O ATOM 1075 CB VAL A 73 -8.242 2.099 -4.512 1.00 0.78 C ATOM 1076 CG1 VAL A 73 -7.091 2.196 -3.526 1.00 1.01 C ATOM 1077 CG2 VAL A 73 -9.205 3.263 -4.337 1.00 1.16 C ATOM 0 H VAL A 73 -7.277 4.096 -5.869 1.00 0.58 H new ATOM 0 HA VAL A 73 -7.049 1.190 -6.065 1.00 0.64 H new ATOM 0 HB VAL A 73 -8.785 1.176 -4.310 1.00 0.78 H new ATOM 0 HG11 VAL A 73 -7.484 2.232 -2.510 1.00 1.01 H new ATOM 0 HG12 VAL A 73 -6.445 1.325 -3.635 1.00 1.01 H new ATOM 0 HG13 VAL A 73 -6.517 3.101 -3.725 1.00 1.01 H new ATOM 0 HG21 VAL A 73 -9.568 3.284 -3.309 1.00 1.16 H new ATOM 0 HG22 VAL A 73 -8.690 4.198 -4.559 1.00 1.16 H new ATOM 0 HG23 VAL A 73 -10.048 3.143 -5.017 1.00 1.16 H new