USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 567 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 20:sc= 0.987 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.547 K(o=-0.55,f=-0.01) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.399 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.458 USER MOD Single : A 37 GLN : amide:sc=-0.00305 X(o=-0.003,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.9!) USER MOD Single : A 46 GLN : amide:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.865 X(o=-0.86,f=-0.51) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.68 USER MOD Single : A 74 SER OG : rot 27:sc= 0.0631 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.930 18.115 7.188 1.00 0.00 N ATOM 2 CA GLY A 1 -18.347 17.099 6.236 1.00 0.00 C ATOM 3 C GLY A 1 -17.838 17.423 4.830 1.00 0.00 C ATOM 4 O GLY A 1 -18.232 18.427 4.240 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.288 17.872 8.134 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.891 18.163 7.212 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.312 19.038 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.968 16.126 6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.435 17.030 6.226 1.00 0.00 H new ATOM 8 N SER A 2 -16.970 16.553 4.335 1.00 0.00 N ATOM 9 CA SER A 2 -16.402 16.734 3.010 1.00 0.00 C ATOM 10 C SER A 2 -15.818 15.413 2.506 1.00 0.00 C ATOM 11 O SER A 2 -15.496 14.530 3.299 1.00 0.00 O ATOM 12 CB SER A 2 -15.327 17.823 3.014 1.00 0.00 C ATOM 13 OG SER A 2 -15.891 19.129 3.083 1.00 0.00 O ATOM 0 H SER A 2 -16.646 15.721 4.828 1.00 0.00 H new ATOM 0 HA SER A 2 -17.199 17.052 2.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.660 17.671 3.863 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.721 17.737 2.112 1.00 0.00 H new ATOM 0 HG SER A 2 -16.805 19.072 3.431 1.00 0.00 H new ATOM 19 N SER A 3 -15.698 15.319 1.190 1.00 0.00 N ATOM 20 CA SER A 3 -15.157 14.121 0.571 1.00 0.00 C ATOM 21 C SER A 3 -14.718 14.425 -0.863 1.00 0.00 C ATOM 22 O SER A 3 -15.323 15.256 -1.539 1.00 0.00 O ATOM 23 CB SER A 3 -16.182 12.985 0.582 1.00 0.00 C ATOM 24 OG SER A 3 -17.459 13.413 0.114 1.00 0.00 O ATOM 0 H SER A 3 -15.966 16.053 0.535 1.00 0.00 H new ATOM 0 HA SER A 3 -14.291 13.799 1.149 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.823 12.167 -0.042 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.279 12.594 1.595 1.00 0.00 H new ATOM 0 HG SER A 3 -18.085 12.659 0.135 1.00 0.00 H new ATOM 30 N GLY A 4 -13.668 13.736 -1.285 1.00 0.00 N ATOM 31 CA GLY A 4 -13.140 13.922 -2.626 1.00 0.00 C ATOM 32 C GLY A 4 -12.060 12.884 -2.939 1.00 0.00 C ATOM 33 O GLY A 4 -11.116 12.714 -2.170 1.00 0.00 O ATOM 0 H GLY A 4 -13.168 13.048 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.948 13.842 -3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.724 14.925 -2.721 1.00 0.00 H new ATOM 37 N SER A 5 -12.236 12.217 -4.070 1.00 0.00 N ATOM 38 CA SER A 5 -11.289 11.201 -4.495 1.00 0.00 C ATOM 39 C SER A 5 -11.472 10.904 -5.984 1.00 0.00 C ATOM 40 O SER A 5 -12.598 10.853 -6.477 1.00 0.00 O ATOM 41 CB SER A 5 -11.451 9.919 -3.674 1.00 0.00 C ATOM 42 OG SER A 5 -10.285 9.622 -2.912 1.00 0.00 O ATOM 0 H SER A 5 -13.021 12.361 -4.705 1.00 0.00 H new ATOM 0 HA SER A 5 -10.281 11.582 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.305 10.023 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.669 9.086 -4.342 1.00 0.00 H new ATOM 0 HG SER A 5 -10.429 8.798 -2.401 1.00 0.00 H new ATOM 48 N SER A 6 -10.349 10.715 -6.660 1.00 0.00 N ATOM 49 CA SER A 6 -10.371 10.425 -8.084 1.00 0.00 C ATOM 50 C SER A 6 -9.029 9.834 -8.519 1.00 0.00 C ATOM 51 O SER A 6 -7.986 10.177 -7.963 1.00 0.00 O ATOM 52 CB SER A 6 -10.686 11.682 -8.897 1.00 0.00 C ATOM 53 OG SER A 6 -9.738 12.720 -8.665 1.00 0.00 O ATOM 0 H SER A 6 -9.417 10.757 -6.248 1.00 0.00 H new ATOM 0 HA SER A 6 -11.159 9.696 -8.272 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.699 11.433 -9.958 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.684 12.039 -8.641 1.00 0.00 H new ATOM 0 HG SER A 6 -9.973 13.504 -9.204 1.00 0.00 H new ATOM 59 N GLY A 7 -9.098 8.955 -9.508 1.00 0.00 N ATOM 60 CA GLY A 7 -7.901 8.313 -10.024 1.00 0.00 C ATOM 61 C GLY A 7 -8.091 7.889 -11.481 1.00 0.00 C ATOM 62 O GLY A 7 -8.684 8.621 -12.272 1.00 0.00 O ATOM 0 H GLY A 7 -9.965 8.672 -9.966 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.056 8.997 -9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.661 7.441 -9.416 1.00 0.00 H new ATOM 66 N TRP A 8 -7.576 6.709 -11.793 1.00 0.00 N ATOM 67 CA TRP A 8 -7.681 6.178 -13.141 1.00 0.00 C ATOM 68 C TRP A 8 -9.007 5.423 -13.250 1.00 0.00 C ATOM 69 O TRP A 8 -9.084 4.245 -12.905 1.00 0.00 O ATOM 70 CB TRP A 8 -6.469 5.311 -13.486 1.00 0.00 C ATOM 71 CG TRP A 8 -5.330 6.074 -14.165 1.00 0.00 C ATOM 72 CD1 TRP A 8 -5.104 6.224 -15.477 1.00 0.00 C ATOM 73 CD2 TRP A 8 -4.263 6.791 -13.508 1.00 0.00 C ATOM 74 NE1 TRP A 8 -3.975 6.982 -15.713 1.00 0.00 N ATOM 75 CE2 TRP A 8 -3.448 7.337 -14.477 1.00 0.00 C ATOM 76 CE3 TRP A 8 -3.997 6.971 -12.139 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -2.311 8.100 -14.182 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -2.857 7.736 -11.861 1.00 0.00 C ATOM 79 CH2 TRP A 8 -2.026 8.293 -12.825 1.00 0.00 C ATOM 0 H TRP A 8 -7.084 6.105 -11.134 1.00 0.00 H new ATOM 0 HA TRP A 8 -7.679 6.985 -13.874 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -6.091 4.853 -12.572 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -6.790 4.500 -14.140 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.727 5.804 -16.253 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -3.597 7.235 -16.626 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.622 6.553 -11.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.688 8.517 -14.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.606 7.905 -10.824 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.164 8.872 -12.529 1.00 0.00 H new ATOM 90 N GLN A 9 -10.018 6.132 -13.731 1.00 0.00 N ATOM 91 CA GLN A 9 -11.337 5.543 -13.890 1.00 0.00 C ATOM 92 C GLN A 9 -11.294 4.416 -14.924 1.00 0.00 C ATOM 93 O GLN A 9 -11.653 3.279 -14.623 1.00 0.00 O ATOM 94 CB GLN A 9 -12.368 6.605 -14.277 1.00 0.00 C ATOM 95 CG GLN A 9 -13.764 6.220 -13.781 1.00 0.00 C ATOM 96 CD GLN A 9 -14.842 7.051 -14.480 1.00 0.00 C ATOM 97 OE1 GLN A 9 -15.383 7.999 -13.934 1.00 0.00 O ATOM 98 NE2 GLN A 9 -15.123 6.644 -15.714 1.00 0.00 N ATOM 0 H GLN A 9 -9.950 7.109 -14.016 1.00 0.00 H new ATOM 0 HA GLN A 9 -11.643 5.119 -12.933 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -12.080 7.567 -13.854 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -12.383 6.725 -15.360 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -13.940 5.160 -13.965 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -13.825 6.371 -12.703 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -14.632 5.843 -16.111 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -15.829 7.133 -16.264 1.00 0.00 H new ATOM 107 N GLY A 10 -10.852 4.772 -16.121 1.00 0.00 N ATOM 108 CA GLY A 10 -10.758 3.805 -17.202 1.00 0.00 C ATOM 109 C GLY A 10 -9.740 2.712 -16.872 1.00 0.00 C ATOM 110 O GLY A 10 -10.109 1.556 -16.669 1.00 0.00 O ATOM 0 H GLY A 10 -10.555 5.716 -16.366 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.735 3.356 -17.379 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.468 4.311 -18.123 1.00 0.00 H new ATOM 114 N LEU A 11 -8.479 3.115 -16.828 1.00 0.00 N ATOM 115 CA LEU A 11 -7.405 2.184 -16.526 1.00 0.00 C ATOM 116 C LEU A 11 -7.595 1.635 -15.111 1.00 0.00 C ATOM 117 O LEU A 11 -7.284 2.312 -14.132 1.00 0.00 O ATOM 118 CB LEU A 11 -6.043 2.845 -16.752 1.00 0.00 C ATOM 119 CG LEU A 11 -4.843 1.900 -16.827 1.00 0.00 C ATOM 120 CD1 LEU A 11 -4.592 1.446 -18.266 1.00 0.00 C ATOM 121 CD2 LEU A 11 -3.601 2.540 -16.203 1.00 0.00 C ATOM 0 H LEU A 11 -8.177 4.074 -16.997 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.437 1.332 -17.206 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.088 3.417 -17.679 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.869 3.558 -15.946 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.073 1.009 -16.244 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.733 0.775 -18.291 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.472 0.924 -18.641 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.392 2.315 -18.892 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.762 1.847 -16.269 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.357 3.458 -16.738 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.798 2.772 -15.156 1.00 0.00 H new ATOM 133 N SER A 12 -8.103 0.414 -15.048 1.00 0.00 N ATOM 134 CA SER A 12 -8.338 -0.234 -13.769 1.00 0.00 C ATOM 135 C SER A 12 -8.678 -1.710 -13.984 1.00 0.00 C ATOM 136 O SER A 12 -9.849 -2.089 -13.973 1.00 0.00 O ATOM 137 CB SER A 12 -9.460 0.462 -12.996 1.00 0.00 C ATOM 138 OG SER A 12 -9.230 0.446 -11.590 1.00 0.00 O ATOM 0 H SER A 12 -8.359 -0.144 -15.862 1.00 0.00 H new ATOM 0 HA SER A 12 -7.426 -0.161 -13.177 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.549 1.493 -13.337 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.409 -0.029 -13.214 1.00 0.00 H new ATOM 0 HG SER A 12 -9.967 0.901 -11.133 1.00 0.00 H new ATOM 144 N SER A 13 -7.635 -2.504 -14.175 1.00 0.00 N ATOM 145 CA SER A 13 -7.808 -3.930 -14.393 1.00 0.00 C ATOM 146 C SER A 13 -7.933 -4.653 -13.050 1.00 0.00 C ATOM 147 O SER A 13 -8.958 -5.271 -12.767 1.00 0.00 O ATOM 148 CB SER A 13 -6.646 -4.509 -15.202 1.00 0.00 C ATOM 149 OG SER A 13 -7.025 -4.805 -16.543 1.00 0.00 O ATOM 0 H SER A 13 -6.666 -2.186 -14.183 1.00 0.00 H new ATOM 0 HA SER A 13 -8.723 -4.080 -14.966 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.819 -3.799 -15.207 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.284 -5.417 -14.719 1.00 0.00 H new ATOM 0 HG SER A 13 -6.256 -5.171 -17.027 1.00 0.00 H new ATOM 155 N LYS A 14 -6.875 -4.551 -12.259 1.00 0.00 N ATOM 156 CA LYS A 14 -6.852 -5.187 -10.953 1.00 0.00 C ATOM 157 C LYS A 14 -6.783 -6.705 -11.132 1.00 0.00 C ATOM 158 O LYS A 14 -7.344 -7.249 -12.082 1.00 0.00 O ATOM 159 CB LYS A 14 -8.041 -4.721 -10.110 1.00 0.00 C ATOM 160 CG LYS A 14 -7.891 -5.172 -8.655 1.00 0.00 C ATOM 161 CD LYS A 14 -7.627 -3.978 -7.736 1.00 0.00 C ATOM 162 CE LYS A 14 -8.313 -4.167 -6.381 1.00 0.00 C ATOM 163 NZ LYS A 14 -9.155 -2.993 -6.058 1.00 0.00 N ATOM 0 H LYS A 14 -6.027 -4.037 -12.498 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.962 -4.890 -10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.118 -3.634 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.966 -5.122 -10.525 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.796 -5.688 -8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.071 -5.886 -8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.554 -3.857 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.990 -3.065 -8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.926 -5.068 -6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.562 -4.309 -5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.613 -3.138 -5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.561 -2.140 -6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.883 -2.876 -6.791 1.00 0.00 H new ATOM 177 N GLY A 15 -6.090 -7.347 -10.202 1.00 0.00 N ATOM 178 CA GLY A 15 -5.940 -8.792 -10.245 1.00 0.00 C ATOM 179 C GLY A 15 -5.192 -9.302 -9.012 1.00 0.00 C ATOM 180 O GLY A 15 -5.673 -9.165 -7.888 1.00 0.00 O ATOM 0 H GLY A 15 -5.627 -6.893 -9.415 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.922 -9.262 -10.299 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.399 -9.078 -11.147 1.00 0.00 H new ATOM 184 N ASP A 16 -4.026 -9.880 -9.263 1.00 0.00 N ATOM 185 CA ASP A 16 -3.207 -10.411 -8.187 1.00 0.00 C ATOM 186 C ASP A 16 -2.026 -9.470 -7.939 1.00 0.00 C ATOM 187 O ASP A 16 -0.888 -9.917 -7.808 1.00 0.00 O ATOM 188 CB ASP A 16 -2.646 -11.787 -8.550 1.00 0.00 C ATOM 189 CG ASP A 16 -3.576 -12.964 -8.252 1.00 0.00 C ATOM 190 OD1 ASP A 16 -4.407 -12.811 -7.331 1.00 0.00 O ATOM 191 OD2 ASP A 16 -3.436 -13.990 -8.952 1.00 0.00 O ATOM 0 H ASP A 16 -3.629 -9.992 -10.196 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.833 -10.499 -7.299 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.404 -11.795 -9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.712 -11.936 -8.009 1.00 0.00 H new ATOM 196 N LEU A 17 -2.338 -8.184 -7.880 1.00 0.00 N ATOM 197 CA LEU A 17 -1.318 -7.176 -7.649 1.00 0.00 C ATOM 198 C LEU A 17 -0.509 -7.550 -6.405 1.00 0.00 C ATOM 199 O LEU A 17 -0.988 -8.294 -5.551 1.00 0.00 O ATOM 200 CB LEU A 17 -1.947 -5.783 -7.578 1.00 0.00 C ATOM 201 CG LEU A 17 -2.230 -5.105 -8.920 1.00 0.00 C ATOM 202 CD1 LEU A 17 -2.714 -3.668 -8.717 1.00 0.00 C ATOM 203 CD2 LEU A 17 -1.009 -5.175 -9.838 1.00 0.00 C ATOM 0 H LEU A 17 -3.283 -7.817 -7.988 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.620 -7.143 -8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.884 -5.857 -7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.287 -5.137 -6.999 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.035 -5.649 -9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.908 -3.209 -9.686 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.631 -3.673 -8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.948 -3.097 -8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.237 -4.686 -10.785 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.167 -4.671 -9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.751 -6.218 -10.021 1.00 0.00 H new ATOM 215 N PRO A 18 0.734 -7.003 -6.341 1.00 0.00 N ATOM 216 CA PRO A 18 1.613 -7.271 -5.216 1.00 0.00 C ATOM 217 C PRO A 18 1.169 -6.494 -3.976 1.00 0.00 C ATOM 218 O PRO A 18 0.727 -5.350 -4.081 1.00 0.00 O ATOM 219 CB PRO A 18 3.000 -6.879 -5.698 1.00 0.00 C ATOM 220 CG PRO A 18 2.783 -5.976 -6.901 1.00 0.00 C ATOM 221 CD PRO A 18 1.333 -6.117 -7.335 1.00 0.00 C ATOM 0 HA PRO A 18 1.594 -8.316 -4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.553 -6.360 -4.915 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.582 -7.759 -5.970 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.006 -4.940 -6.646 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.453 -6.255 -7.714 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.830 -5.150 -7.358 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.259 -6.539 -8.337 1.00 0.00 H new ATOM 229 N GLN A 19 1.303 -7.145 -2.829 1.00 0.00 N ATOM 230 CA GLN A 19 0.921 -6.528 -1.570 1.00 0.00 C ATOM 231 C GLN A 19 2.070 -6.620 -0.564 1.00 0.00 C ATOM 232 O GLN A 19 2.835 -7.584 -0.576 1.00 0.00 O ATOM 233 CB GLN A 19 -0.351 -7.169 -1.010 1.00 0.00 C ATOM 234 CG GLN A 19 -1.487 -7.118 -2.033 1.00 0.00 C ATOM 235 CD GLN A 19 -2.841 -7.352 -1.360 1.00 0.00 C ATOM 236 OE1 GLN A 19 -3.537 -8.318 -1.627 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.174 -6.418 -0.474 1.00 0.00 N ATOM 0 H GLN A 19 1.671 -8.093 -2.746 1.00 0.00 H new ATOM 0 HA GLN A 19 0.708 -5.475 -1.753 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.150 -8.205 -0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.653 -6.651 -0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.488 -6.149 -2.533 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.323 -7.873 -2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.545 -5.635 -0.298 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.059 -6.485 0.030 1.00 0.00 H new ATOM 246 N VAL A 20 2.157 -5.604 0.282 1.00 0.00 N ATOM 247 CA VAL A 20 3.200 -5.558 1.292 1.00 0.00 C ATOM 248 C VAL A 20 2.596 -5.102 2.622 1.00 0.00 C ATOM 249 O VAL A 20 1.736 -4.223 2.648 1.00 0.00 O ATOM 250 CB VAL A 20 4.347 -4.663 0.819 1.00 0.00 C ATOM 251 CG1 VAL A 20 4.930 -5.171 -0.502 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.893 -3.208 0.694 1.00 0.00 C ATOM 0 H VAL A 20 1.522 -4.806 0.289 1.00 0.00 H new ATOM 0 HA VAL A 20 3.623 -6.550 1.450 1.00 0.00 H new ATOM 0 HB VAL A 20 5.135 -4.704 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.744 -4.517 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.310 -6.184 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.152 -5.175 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.728 -2.594 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.079 -3.142 -0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.548 -2.850 1.664 1.00 0.00 H new ATOM 262 N GLU A 21 3.070 -5.721 3.693 1.00 0.00 N ATOM 263 CA GLU A 21 2.588 -5.390 5.023 1.00 0.00 C ATOM 264 C GLU A 21 3.505 -4.354 5.678 1.00 0.00 C ATOM 265 O GLU A 21 4.693 -4.606 5.871 1.00 0.00 O ATOM 266 CB GLU A 21 2.469 -6.644 5.891 1.00 0.00 C ATOM 267 CG GLU A 21 1.902 -6.304 7.271 1.00 0.00 C ATOM 268 CD GLU A 21 1.637 -7.573 8.083 1.00 0.00 C ATOM 269 OE1 GLU A 21 0.680 -8.290 7.720 1.00 0.00 O ATOM 270 OE2 GLU A 21 2.399 -7.799 9.049 1.00 0.00 O ATOM 0 H GLU A 21 3.783 -6.450 3.667 1.00 0.00 H new ATOM 0 HA GLU A 21 1.592 -4.957 4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.824 -7.372 5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.449 -7.109 6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.602 -5.664 7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.976 -5.740 7.159 1.00 0.00 H new ATOM 277 N ILE A 22 2.918 -3.211 6.001 1.00 0.00 N ATOM 278 CA ILE A 22 3.667 -2.137 6.630 1.00 0.00 C ATOM 279 C ILE A 22 4.090 -2.571 8.035 1.00 0.00 C ATOM 280 O ILE A 22 3.262 -2.643 8.942 1.00 0.00 O ATOM 281 CB ILE A 22 2.863 -0.836 6.604 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.376 -0.521 5.188 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.668 0.319 7.204 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.542 -0.111 4.286 1.00 0.00 C ATOM 0 H ILE A 22 1.932 -3.005 5.839 1.00 0.00 H new ATOM 0 HA ILE A 22 4.580 -1.931 6.071 1.00 0.00 H new ATOM 0 HB ILE A 22 1.978 -0.969 7.227 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.877 -1.394 4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.639 0.281 5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.073 1.232 7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.922 0.087 8.238 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.583 0.462 6.629 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.169 0.107 3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.024 0.777 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.265 -0.925 4.234 1.00 0.00 H new ATOM 296 N THR A 23 5.378 -2.847 8.172 1.00 0.00 N ATOM 297 CA THR A 23 5.921 -3.271 9.452 1.00 0.00 C ATOM 298 C THR A 23 5.705 -2.187 10.509 1.00 0.00 C ATOM 299 O THR A 23 5.161 -2.457 11.579 1.00 0.00 O ATOM 300 CB THR A 23 7.393 -3.633 9.244 1.00 0.00 C ATOM 301 OG1 THR A 23 8.019 -2.386 8.954 1.00 0.00 O ATOM 302 CG2 THR A 23 7.619 -4.466 7.981 1.00 0.00 C ATOM 0 H THR A 23 6.062 -2.785 7.418 1.00 0.00 H new ATOM 0 HA THR A 23 5.404 -4.154 9.828 1.00 0.00 H new ATOM 0 HB THR A 23 7.757 -4.184 10.111 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.977 -2.528 8.807 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.680 -4.695 7.881 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.052 -5.394 8.051 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.286 -3.903 7.109 1.00 0.00 H new ATOM 310 N LYS A 24 6.141 -0.982 10.172 1.00 0.00 N ATOM 311 CA LYS A 24 6.002 0.145 11.079 1.00 0.00 C ATOM 312 C LYS A 24 5.195 1.249 10.393 1.00 0.00 C ATOM 313 O LYS A 24 5.181 1.342 9.167 1.00 0.00 O ATOM 314 CB LYS A 24 7.374 0.604 11.577 1.00 0.00 C ATOM 315 CG LYS A 24 8.185 1.237 10.445 1.00 0.00 C ATOM 316 CD LYS A 24 9.575 0.606 10.346 1.00 0.00 C ATOM 317 CE LYS A 24 10.135 0.732 8.928 1.00 0.00 C ATOM 318 NZ LYS A 24 11.395 1.509 8.935 1.00 0.00 N ATOM 0 H LYS A 24 6.591 -0.761 9.283 1.00 0.00 H new ATOM 0 HA LYS A 24 5.447 -0.149 11.970 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.249 1.324 12.386 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.919 -0.246 11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.657 1.111 9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.280 2.309 10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.250 1.091 11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.522 -0.446 10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.315 -0.259 8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.404 1.220 8.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.761 1.585 7.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.214 2.461 9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.096 1.028 9.533 1.00 0.00 H new ATOM 332 N ALA A 25 4.544 2.059 11.215 1.00 0.00 N ATOM 333 CA ALA A 25 3.737 3.154 10.703 1.00 0.00 C ATOM 334 C ALA A 25 4.625 4.102 9.894 1.00 0.00 C ATOM 335 O ALA A 25 5.709 4.474 10.341 1.00 0.00 O ATOM 336 CB ALA A 25 3.038 3.860 11.866 1.00 0.00 C ATOM 0 H ALA A 25 4.559 1.979 12.232 1.00 0.00 H new ATOM 0 HA ALA A 25 2.961 2.779 10.035 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.433 4.681 11.482 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.397 3.151 12.390 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.785 4.252 12.556 1.00 0.00 H new ATOM 342 N PHE A 26 4.132 4.464 8.719 1.00 0.00 N ATOM 343 CA PHE A 26 4.868 5.362 7.844 1.00 0.00 C ATOM 344 C PHE A 26 4.229 6.752 7.822 1.00 0.00 C ATOM 345 O PHE A 26 3.006 6.877 7.859 1.00 0.00 O ATOM 346 CB PHE A 26 4.807 4.763 6.437 1.00 0.00 C ATOM 347 CG PHE A 26 5.358 5.683 5.346 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.491 6.402 5.570 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.716 5.782 4.151 1.00 0.00 C ATOM 350 CE1 PHE A 26 7.003 7.255 4.557 1.00 0.00 C ATOM 351 CE2 PHE A 26 5.227 6.636 3.139 1.00 0.00 C ATOM 352 CZ PHE A 26 6.360 7.354 3.363 1.00 0.00 C ATOM 0 H PHE A 26 3.233 4.152 8.352 1.00 0.00 H new ATOM 0 HA PHE A 26 5.894 5.469 8.197 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.367 3.828 6.427 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.771 4.517 6.202 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.001 6.324 6.519 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.817 5.211 3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.903 7.825 4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.716 6.716 2.191 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.749 8.003 2.592 1.00 0.00 H new ATOM 362 N PHE A 27 5.086 7.761 7.763 1.00 0.00 N ATOM 363 CA PHE A 27 4.620 9.137 7.735 1.00 0.00 C ATOM 364 C PHE A 27 4.917 9.789 6.384 1.00 0.00 C ATOM 365 O PHE A 27 6.077 9.953 6.011 1.00 0.00 O ATOM 366 CB PHE A 27 5.382 9.888 8.829 1.00 0.00 C ATOM 367 CG PHE A 27 4.995 9.478 10.251 1.00 0.00 C ATOM 368 CD1 PHE A 27 5.616 8.426 10.848 1.00 0.00 C ATOM 369 CD2 PHE A 27 4.030 10.166 10.919 1.00 0.00 C ATOM 370 CE1 PHE A 27 5.257 8.045 12.168 1.00 0.00 C ATOM 371 CE2 PHE A 27 3.671 9.785 12.238 1.00 0.00 C ATOM 372 CZ PHE A 27 4.292 8.733 12.835 1.00 0.00 C ATOM 0 H PHE A 27 6.100 7.653 7.734 1.00 0.00 H new ATOM 0 HA PHE A 27 3.542 9.169 7.894 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.451 9.722 8.692 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.208 10.957 8.710 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.383 7.880 10.318 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.537 11.002 10.445 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.750 7.209 12.642 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.904 10.331 12.768 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.019 8.444 13.839 1.00 0.00 H new ATOM 382 N ALA A 28 3.847 10.144 5.687 1.00 0.00 N ATOM 383 CA ALA A 28 3.978 10.775 4.384 1.00 0.00 C ATOM 384 C ALA A 28 4.608 12.159 4.554 1.00 0.00 C ATOM 385 O ALA A 28 4.174 12.943 5.397 1.00 0.00 O ATOM 386 CB ALA A 28 2.608 10.837 3.707 1.00 0.00 C ATOM 0 H ALA A 28 2.886 10.007 6.000 1.00 0.00 H new ATOM 0 HA ALA A 28 4.634 10.191 3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.706 11.310 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.217 9.827 3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.923 11.418 4.324 1.00 0.00 H new ATOM 392 N LYS A 29 5.620 12.417 3.739 1.00 0.00 N ATOM 393 CA LYS A 29 6.313 13.693 3.788 1.00 0.00 C ATOM 394 C LYS A 29 5.902 14.539 2.581 1.00 0.00 C ATOM 395 O LYS A 29 5.807 15.762 2.679 1.00 0.00 O ATOM 396 CB LYS A 29 7.824 13.478 3.902 1.00 0.00 C ATOM 397 CG LYS A 29 8.426 13.089 2.550 1.00 0.00 C ATOM 398 CD LYS A 29 9.167 14.270 1.920 1.00 0.00 C ATOM 399 CE LYS A 29 10.665 13.978 1.804 1.00 0.00 C ATOM 400 NZ LYS A 29 11.457 15.143 2.260 1.00 0.00 N ATOM 0 H LYS A 29 5.977 11.764 3.041 1.00 0.00 H new ATOM 0 HA LYS A 29 6.025 14.249 4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.298 14.389 4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.030 12.697 4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.112 12.252 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.636 12.751 1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.756 14.477 0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.013 15.165 2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.918 13.102 2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.917 13.742 0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.471 14.928 2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.228 15.970 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.229 15.350 3.253 1.00 0.00 H new ATOM 414 N GLN A 30 5.669 13.855 1.471 1.00 0.00 N ATOM 415 CA GLN A 30 5.270 14.528 0.247 1.00 0.00 C ATOM 416 C GLN A 30 3.751 14.466 0.078 1.00 0.00 C ATOM 417 O GLN A 30 3.041 14.010 0.973 1.00 0.00 O ATOM 418 CB GLN A 30 5.982 13.927 -0.967 1.00 0.00 C ATOM 419 CG GLN A 30 7.292 14.663 -1.255 1.00 0.00 C ATOM 420 CD GLN A 30 7.189 15.483 -2.542 1.00 0.00 C ATOM 421 OE1 GLN A 30 6.635 16.569 -2.574 1.00 0.00 O ATOM 422 NE2 GLN A 30 7.751 14.903 -3.599 1.00 0.00 N ATOM 0 H GLN A 30 5.749 12.841 1.394 1.00 0.00 H new ATOM 0 HA GLN A 30 5.566 15.575 0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.186 12.871 -0.788 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.331 13.982 -1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.535 15.320 -0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.106 13.943 -1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.199 13.992 -3.503 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.734 15.370 -4.506 1.00 0.00 H new ATOM 431 N ALA A 31 3.296 14.932 -1.076 1.00 0.00 N ATOM 432 CA ALA A 31 1.874 14.936 -1.374 1.00 0.00 C ATOM 433 C ALA A 31 1.509 13.645 -2.110 1.00 0.00 C ATOM 434 O ALA A 31 0.333 13.376 -2.351 1.00 0.00 O ATOM 435 CB ALA A 31 1.525 16.187 -2.182 1.00 0.00 C ATOM 0 H ALA A 31 3.888 15.310 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 31 1.289 14.969 -0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.458 16.190 -2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.777 17.076 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.091 16.188 -3.114 1.00 0.00 H new ATOM 441 N ASP A 32 2.538 12.881 -2.446 1.00 0.00 N ATOM 442 CA ASP A 32 2.339 11.625 -3.149 1.00 0.00 C ATOM 443 C ASP A 32 2.432 10.468 -2.153 1.00 0.00 C ATOM 444 O ASP A 32 1.947 9.371 -2.424 1.00 0.00 O ATOM 445 CB ASP A 32 3.414 11.417 -4.218 1.00 0.00 C ATOM 446 CG ASP A 32 2.884 11.245 -5.643 1.00 0.00 C ATOM 447 OD1 ASP A 32 1.730 11.665 -5.874 1.00 0.00 O ATOM 448 OD2 ASP A 32 3.645 10.695 -6.469 1.00 0.00 O ATOM 0 H ASP A 32 3.512 13.108 -2.244 1.00 0.00 H new ATOM 0 HA ASP A 32 1.359 11.655 -3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.093 12.269 -4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.000 10.536 -3.956 1.00 0.00 H new ATOM 453 N GLU A 33 3.060 10.752 -1.022 1.00 0.00 N ATOM 454 CA GLU A 33 3.223 9.748 0.016 1.00 0.00 C ATOM 455 C GLU A 33 1.921 9.582 0.803 1.00 0.00 C ATOM 456 O GLU A 33 1.060 10.460 0.778 1.00 0.00 O ATOM 457 CB GLU A 33 4.384 10.104 0.946 1.00 0.00 C ATOM 458 CG GLU A 33 5.728 9.925 0.238 1.00 0.00 C ATOM 459 CD GLU A 33 6.843 10.663 0.983 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.726 10.765 2.223 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.786 11.109 0.294 1.00 0.00 O ATOM 0 H GLU A 33 3.462 11.663 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 33 3.461 8.797 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.281 11.135 1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.350 9.473 1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.970 8.864 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.658 10.300 -0.783 1.00 0.00 H new ATOM 468 N VAL A 34 1.819 8.450 1.484 1.00 0.00 N ATOM 469 CA VAL A 34 0.637 8.158 2.277 1.00 0.00 C ATOM 470 C VAL A 34 1.062 7.542 3.611 1.00 0.00 C ATOM 471 O VAL A 34 1.941 6.683 3.650 1.00 0.00 O ATOM 472 CB VAL A 34 -0.318 7.263 1.483 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.400 6.011 0.975 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.543 6.891 2.319 1.00 0.00 C ATOM 0 H VAL A 34 2.535 7.724 1.503 1.00 0.00 H new ATOM 0 HA VAL A 34 0.092 9.075 2.501 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.663 7.827 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.300 5.392 0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.226 6.303 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.787 5.445 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.205 6.255 1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.224 6.355 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.074 7.797 2.609 1.00 0.00 H new ATOM 484 N THR A 35 0.419 8.007 4.672 1.00 0.00 N ATOM 485 CA THR A 35 0.720 7.513 6.005 1.00 0.00 C ATOM 486 C THR A 35 0.091 6.134 6.218 1.00 0.00 C ATOM 487 O THR A 35 -1.079 5.927 5.901 1.00 0.00 O ATOM 488 CB THR A 35 0.246 8.559 7.016 1.00 0.00 C ATOM 489 OG1 THR A 35 1.031 9.711 6.717 1.00 0.00 O ATOM 490 CG2 THR A 35 0.636 8.205 8.452 1.00 0.00 C ATOM 0 H THR A 35 -0.309 8.720 4.636 1.00 0.00 H new ATOM 0 HA THR A 35 1.792 7.371 6.141 1.00 0.00 H new ATOM 0 HB THR A 35 -0.837 8.663 6.950 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.787 10.440 7.325 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.276 8.980 9.128 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.190 7.249 8.725 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.721 8.134 8.527 1.00 0.00 H new ATOM 498 N LEU A 36 0.896 5.228 6.753 1.00 0.00 N ATOM 499 CA LEU A 36 0.433 3.875 7.012 1.00 0.00 C ATOM 500 C LEU A 36 0.713 3.515 8.472 1.00 0.00 C ATOM 501 O LEU A 36 1.566 4.128 9.113 1.00 0.00 O ATOM 502 CB LEU A 36 1.047 2.897 6.008 1.00 0.00 C ATOM 503 CG LEU A 36 1.087 3.367 4.552 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.257 2.728 3.802 1.00 0.00 C ATOM 505 CD2 LEU A 36 -0.250 3.108 3.856 1.00 0.00 C ATOM 0 H LEU A 36 1.866 5.404 7.014 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.645 3.808 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.066 2.674 6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.487 1.963 6.052 1.00 0.00 H new ATOM 0 HG LEU A 36 1.250 4.445 4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.263 3.079 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.194 3.006 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.149 1.643 3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.195 3.451 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.468 2.040 3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.041 3.648 4.376 1.00 0.00 H new ATOM 517 N GLN A 37 -0.020 2.523 8.955 1.00 0.00 N ATOM 518 CA GLN A 37 0.140 2.074 10.328 1.00 0.00 C ATOM 519 C GLN A 37 0.896 0.744 10.367 1.00 0.00 C ATOM 520 O GLN A 37 1.173 0.153 9.324 1.00 0.00 O ATOM 521 CB GLN A 37 -1.216 1.954 11.026 1.00 0.00 C ATOM 522 CG GLN A 37 -1.580 3.256 11.743 1.00 0.00 C ATOM 523 CD GLN A 37 -2.830 3.889 11.128 1.00 0.00 C ATOM 524 OE1 GLN A 37 -3.946 3.439 11.324 1.00 0.00 O ATOM 525 NE2 GLN A 37 -2.580 4.956 10.375 1.00 0.00 N ATOM 0 H GLN A 37 -0.726 2.017 8.420 1.00 0.00 H new ATOM 0 HA GLN A 37 0.726 2.818 10.868 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.986 1.710 10.294 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.188 1.134 11.744 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.752 3.057 12.801 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.746 3.955 11.681 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.621 5.280 10.252 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.348 5.450 9.920 1.00 0.00 H new ATOM 534 N GLN A 38 1.209 0.313 11.580 1.00 0.00 N ATOM 535 CA GLN A 38 1.927 -0.935 11.769 1.00 0.00 C ATOM 536 C GLN A 38 1.019 -2.124 11.448 1.00 0.00 C ATOM 537 O GLN A 38 -0.107 -2.199 11.936 1.00 0.00 O ATOM 538 CB GLN A 38 2.484 -1.038 13.190 1.00 0.00 C ATOM 539 CG GLN A 38 3.192 -2.377 13.406 1.00 0.00 C ATOM 540 CD GLN A 38 2.491 -3.200 14.489 1.00 0.00 C ATOM 541 OE1 GLN A 38 1.344 -2.969 14.835 1.00 0.00 O ATOM 542 NE2 GLN A 38 3.242 -4.170 15.003 1.00 0.00 N ATOM 0 H GLN A 38 0.978 0.807 12.442 1.00 0.00 H new ATOM 0 HA GLN A 38 2.772 -0.953 11.081 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.182 -0.220 13.371 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.673 -0.931 13.911 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.209 -2.938 12.472 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.229 -2.202 13.692 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.195 -4.309 14.668 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.865 -4.775 15.733 1.00 0.00 H new ATOM 551 N ALA A 39 1.544 -3.024 10.629 1.00 0.00 N ATOM 552 CA ALA A 39 0.794 -4.206 10.237 1.00 0.00 C ATOM 553 C ALA A 39 -0.377 -3.789 9.346 1.00 0.00 C ATOM 554 O ALA A 39 -1.511 -4.211 9.568 1.00 0.00 O ATOM 555 CB ALA A 39 0.336 -4.958 11.488 1.00 0.00 C ATOM 0 H ALA A 39 2.479 -2.959 10.226 1.00 0.00 H new ATOM 0 HA ALA A 39 1.422 -4.885 9.660 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.226 -5.844 11.194 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.207 -5.258 12.072 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.299 -4.309 12.091 1.00 0.00 H new ATOM 561 N ASP A 40 -0.063 -2.966 8.356 1.00 0.00 N ATOM 562 CA ASP A 40 -1.076 -2.488 7.431 1.00 0.00 C ATOM 563 C ASP A 40 -0.826 -3.096 6.049 1.00 0.00 C ATOM 564 O ASP A 40 0.315 -3.387 5.693 1.00 0.00 O ATOM 565 CB ASP A 40 -1.022 -0.965 7.294 1.00 0.00 C ATOM 566 CG ASP A 40 -1.567 -0.188 8.494 1.00 0.00 C ATOM 567 OD1 ASP A 40 -1.417 -0.707 9.621 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.122 0.906 8.257 1.00 0.00 O ATOM 0 H ASP A 40 0.879 -2.618 8.175 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.052 -2.781 7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.013 -0.667 7.127 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.585 -0.675 6.407 1.00 0.00 H new ATOM 573 N VAL A 41 -1.911 -3.269 5.309 1.00 0.00 N ATOM 574 CA VAL A 41 -1.823 -3.837 3.974 1.00 0.00 C ATOM 575 C VAL A 41 -2.005 -2.726 2.939 1.00 0.00 C ATOM 576 O VAL A 41 -2.767 -1.786 3.160 1.00 0.00 O ATOM 577 CB VAL A 41 -2.839 -4.971 3.820 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.695 -5.655 2.459 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.708 -5.983 4.959 1.00 0.00 C ATOM 0 H VAL A 41 -2.855 -3.026 5.608 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.839 -4.276 3.809 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.837 -4.536 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.429 -6.457 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.862 -4.926 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.691 -6.070 2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.441 -6.778 4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.705 -6.410 4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.884 -5.483 5.912 1.00 0.00 H new ATOM 589 N VAL A 42 -1.293 -2.871 1.831 1.00 0.00 N ATOM 590 CA VAL A 42 -1.367 -1.891 0.760 1.00 0.00 C ATOM 591 C VAL A 42 -1.216 -2.600 -0.586 1.00 0.00 C ATOM 592 O VAL A 42 -0.287 -3.383 -0.779 1.00 0.00 O ATOM 593 CB VAL A 42 -0.321 -0.796 0.980 1.00 0.00 C ATOM 594 CG1 VAL A 42 -0.165 0.073 -0.270 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.667 0.057 2.201 1.00 0.00 C ATOM 0 H VAL A 42 -0.662 -3.652 1.652 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.339 -1.398 0.760 1.00 0.00 H new ATOM 0 HB VAL A 42 0.636 -1.282 1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.584 0.843 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.151 -0.548 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.119 0.544 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.093 0.827 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.639 0.528 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.702 -0.575 3.088 1.00 0.00 H new ATOM 605 N LEU A 43 -2.145 -2.302 -1.484 1.00 0.00 N ATOM 606 CA LEU A 43 -2.127 -2.902 -2.807 1.00 0.00 C ATOM 607 C LEU A 43 -1.237 -2.066 -3.729 1.00 0.00 C ATOM 608 O LEU A 43 -1.595 -0.948 -4.096 1.00 0.00 O ATOM 609 CB LEU A 43 -3.552 -3.088 -3.330 1.00 0.00 C ATOM 610 CG LEU A 43 -3.694 -3.910 -4.613 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.828 -5.401 -4.297 1.00 0.00 C ATOM 612 CD2 LEU A 43 -4.856 -3.398 -5.467 1.00 0.00 C ATOM 0 H LEU A 43 -2.915 -1.653 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.694 -3.902 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.145 -3.565 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.986 -2.103 -3.503 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.784 -3.786 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.927 -5.962 -5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.942 -5.740 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.711 -5.564 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.935 -4.000 -6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.784 -3.472 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.678 -2.357 -5.737 1.00 0.00 H new ATOM 624 N VAL A 44 -0.095 -2.641 -4.078 1.00 0.00 N ATOM 625 CA VAL A 44 0.848 -1.962 -4.950 1.00 0.00 C ATOM 626 C VAL A 44 0.170 -1.655 -6.286 1.00 0.00 C ATOM 627 O VAL A 44 -0.580 -2.477 -6.810 1.00 0.00 O ATOM 628 CB VAL A 44 2.117 -2.803 -5.103 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.091 -2.153 -6.088 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.786 -3.039 -3.747 1.00 0.00 C ATOM 0 H VAL A 44 0.198 -3.569 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 44 1.155 -1.011 -4.515 1.00 0.00 H new ATOM 0 HB VAL A 44 1.828 -3.773 -5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.984 -2.771 -6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.614 -2.060 -7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.370 -1.164 -5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.685 -3.639 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.054 -2.081 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.096 -3.565 -3.088 1.00 0.00 H new ATOM 640 N LEU A 45 0.459 -0.468 -6.801 1.00 0.00 N ATOM 641 CA LEU A 45 -0.114 -0.042 -8.066 1.00 0.00 C ATOM 642 C LEU A 45 1.013 0.254 -9.058 1.00 0.00 C ATOM 643 O LEU A 45 0.915 -0.088 -10.235 1.00 0.00 O ATOM 644 CB LEU A 45 -1.070 1.134 -7.853 1.00 0.00 C ATOM 645 CG LEU A 45 -2.412 0.797 -7.201 1.00 0.00 C ATOM 646 CD1 LEU A 45 -2.962 1.997 -6.427 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.411 0.278 -8.238 1.00 0.00 C ATOM 0 H LEU A 45 1.082 0.211 -6.365 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.718 -0.840 -8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.566 1.879 -7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.265 1.598 -8.820 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.250 -0.005 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.917 1.731 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.256 2.281 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.106 2.835 -7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.357 0.046 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.574 1.041 -8.999 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.014 -0.623 -8.706 1.00 0.00 H new ATOM 659 N GLN A 46 2.058 0.886 -8.544 1.00 0.00 N ATOM 660 CA GLN A 46 3.203 1.232 -9.370 1.00 0.00 C ATOM 661 C GLN A 46 4.502 1.034 -8.586 1.00 0.00 C ATOM 662 O GLN A 46 4.713 1.673 -7.556 1.00 0.00 O ATOM 663 CB GLN A 46 3.091 2.666 -9.890 1.00 0.00 C ATOM 664 CG GLN A 46 2.604 2.686 -11.341 1.00 0.00 C ATOM 665 CD GLN A 46 1.400 3.616 -11.503 1.00 0.00 C ATOM 666 OE1 GLN A 46 1.458 4.640 -12.163 1.00 0.00 O ATOM 667 NE2 GLN A 46 0.309 3.204 -10.864 1.00 0.00 N ATOM 0 H GLN A 46 2.136 1.167 -7.567 1.00 0.00 H new ATOM 0 HA GLN A 46 3.217 0.567 -10.234 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.401 3.231 -9.263 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.061 3.159 -9.821 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.412 3.014 -11.995 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.333 1.677 -11.651 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.329 2.336 -10.329 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.548 3.756 -10.909 1.00 0.00 H new ATOM 676 N GLN A 47 5.338 0.145 -9.103 1.00 0.00 N ATOM 677 CA GLN A 47 6.611 -0.145 -8.464 1.00 0.00 C ATOM 678 C GLN A 47 7.732 0.661 -9.123 1.00 0.00 C ATOM 679 O GLN A 47 8.058 0.438 -10.288 1.00 0.00 O ATOM 680 CB GLN A 47 6.915 -1.644 -8.505 1.00 0.00 C ATOM 681 CG GLN A 47 6.320 -2.358 -7.289 1.00 0.00 C ATOM 682 CD GLN A 47 6.925 -3.753 -7.123 1.00 0.00 C ATOM 683 OE1 GLN A 47 6.240 -4.763 -7.161 1.00 0.00 O ATOM 684 NE2 GLN A 47 8.242 -3.754 -6.938 1.00 0.00 N ATOM 0 H GLN A 47 5.159 -0.384 -9.957 1.00 0.00 H new ATOM 0 HA GLN A 47 6.546 0.151 -7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.509 -2.076 -9.420 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.994 -1.799 -8.531 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.504 -1.769 -6.391 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.239 -2.438 -7.402 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.755 -2.872 -6.917 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.739 -4.636 -6.817 1.00 0.00 H new ATOM 693 N GLU A 48 8.291 1.580 -8.350 1.00 0.00 N ATOM 694 CA GLU A 48 9.368 2.419 -8.844 1.00 0.00 C ATOM 695 C GLU A 48 10.609 2.264 -7.963 1.00 0.00 C ATOM 696 O GLU A 48 10.584 2.608 -6.782 1.00 0.00 O ATOM 697 CB GLU A 48 8.931 3.883 -8.922 1.00 0.00 C ATOM 698 CG GLU A 48 9.549 4.576 -10.138 1.00 0.00 C ATOM 699 CD GLU A 48 9.666 6.085 -9.909 1.00 0.00 C ATOM 700 OE1 GLU A 48 8.663 6.780 -10.180 1.00 0.00 O ATOM 701 OE2 GLU A 48 10.756 6.509 -9.467 1.00 0.00 O ATOM 0 H GLU A 48 8.018 1.762 -7.384 1.00 0.00 H new ATOM 0 HA GLU A 48 9.620 2.095 -9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.844 3.939 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.228 4.404 -8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.535 4.157 -10.337 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.937 4.385 -11.020 1.00 0.00 H new ATOM 708 N ASP A 49 11.666 1.746 -8.571 1.00 0.00 N ATOM 709 CA ASP A 49 12.915 1.540 -7.857 1.00 0.00 C ATOM 710 C ASP A 49 13.162 2.725 -6.920 1.00 0.00 C ATOM 711 O ASP A 49 13.563 3.799 -7.366 1.00 0.00 O ATOM 712 CB ASP A 49 14.095 1.449 -8.826 1.00 0.00 C ATOM 713 CG ASP A 49 15.164 0.421 -8.448 1.00 0.00 C ATOM 714 OD1 ASP A 49 14.786 -0.579 -7.801 1.00 0.00 O ATOM 715 OD2 ASP A 49 16.335 0.659 -8.815 1.00 0.00 O ATOM 0 H ASP A 49 11.683 1.463 -9.551 1.00 0.00 H new ATOM 0 HA ASP A 49 12.835 0.607 -7.299 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.713 1.206 -9.818 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.565 2.430 -8.896 1.00 0.00 H new ATOM 720 N GLY A 50 12.913 2.489 -5.641 1.00 0.00 N ATOM 721 CA GLY A 50 13.104 3.523 -4.638 1.00 0.00 C ATOM 722 C GLY A 50 11.853 3.685 -3.772 1.00 0.00 C ATOM 723 O GLY A 50 11.951 3.841 -2.556 1.00 0.00 O ATOM 0 H GLY A 50 12.580 1.597 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.957 3.270 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.338 4.469 -5.126 1.00 0.00 H new ATOM 727 N TRP A 51 10.706 3.642 -4.434 1.00 0.00 N ATOM 728 CA TRP A 51 9.437 3.782 -3.740 1.00 0.00 C ATOM 729 C TRP A 51 8.432 2.832 -4.395 1.00 0.00 C ATOM 730 O TRP A 51 8.512 2.569 -5.594 1.00 0.00 O ATOM 731 CB TRP A 51 8.969 5.239 -3.741 1.00 0.00 C ATOM 732 CG TRP A 51 9.716 6.133 -2.750 1.00 0.00 C ATOM 733 CD1 TRP A 51 10.978 6.577 -2.828 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.193 6.678 -1.520 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.306 7.365 -1.743 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.186 7.428 -0.923 1.00 0.00 C ATOM 737 CE3 TRP A 51 7.924 6.542 -0.932 1.00 0.00 C ATOM 738 CZ2 TRP A 51 10.012 8.101 0.293 1.00 0.00 C ATOM 739 CZ3 TRP A 51 7.766 7.220 0.283 1.00 0.00 C ATOM 740 CH2 TRP A 51 8.755 7.979 0.897 1.00 0.00 C ATOM 0 H TRP A 51 10.629 3.512 -5.443 1.00 0.00 H new ATOM 0 HA TRP A 51 9.541 3.510 -2.690 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.088 5.648 -4.744 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.904 5.268 -3.510 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.654 6.347 -3.638 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.205 7.817 -1.574 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.133 5.960 -1.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.805 8.682 0.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.809 7.148 0.777 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.555 8.473 1.836 1.00 0.00 H new ATOM 751 N LEU A 52 7.511 2.342 -3.578 1.00 0.00 N ATOM 752 CA LEU A 52 6.492 1.426 -4.063 1.00 0.00 C ATOM 753 C LEU A 52 5.112 2.060 -3.877 1.00 0.00 C ATOM 754 O LEU A 52 4.693 2.323 -2.750 1.00 0.00 O ATOM 755 CB LEU A 52 6.637 0.060 -3.391 1.00 0.00 C ATOM 756 CG LEU A 52 8.069 -0.433 -3.176 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.776 -0.665 -4.512 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.849 0.525 -2.273 1.00 0.00 C ATOM 0 H LEU A 52 7.449 2.562 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 52 6.619 1.245 -5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.138 0.099 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.107 -0.677 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 52 8.026 -1.394 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.792 -1.015 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.231 -1.414 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.809 0.269 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.864 0.151 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.885 1.512 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.355 0.595 -1.304 1.00 0.00 H new ATOM 770 N TYR A 53 4.444 2.287 -4.998 1.00 0.00 N ATOM 771 CA TYR A 53 3.120 2.885 -4.972 1.00 0.00 C ATOM 772 C TYR A 53 2.036 1.812 -4.858 1.00 0.00 C ATOM 773 O TYR A 53 2.166 0.729 -5.428 1.00 0.00 O ATOM 774 CB TYR A 53 2.961 3.615 -6.308 1.00 0.00 C ATOM 775 CG TYR A 53 1.711 4.493 -6.392 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.566 5.570 -5.541 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.728 4.208 -7.318 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.389 6.397 -5.620 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.448 5.035 -7.397 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.560 6.088 -6.544 1.00 0.00 C ATOM 781 OH TYR A 53 -1.671 6.869 -6.619 1.00 0.00 O ATOM 0 H TYR A 53 4.795 2.068 -5.930 1.00 0.00 H new ATOM 0 HA TYR A 53 3.017 3.552 -4.116 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.841 4.236 -6.478 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.930 2.879 -7.111 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.335 5.793 -4.816 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.841 3.365 -7.983 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.263 7.243 -4.961 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.224 4.824 -8.118 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.262 6.531 -7.324 1.00 0.00 H new ATOM 791 N GLY A 54 0.989 2.149 -4.119 1.00 0.00 N ATOM 792 CA GLY A 54 -0.117 1.228 -3.923 1.00 0.00 C ATOM 793 C GLY A 54 -1.302 1.928 -3.256 1.00 0.00 C ATOM 794 O GLY A 54 -1.283 3.143 -3.066 1.00 0.00 O ATOM 0 H GLY A 54 0.884 3.048 -3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.427 0.817 -4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.208 0.389 -3.307 1.00 0.00 H new ATOM 798 N GLU A 55 -2.306 1.131 -2.918 1.00 0.00 N ATOM 799 CA GLU A 55 -3.497 1.660 -2.276 1.00 0.00 C ATOM 800 C GLU A 55 -3.755 0.932 -0.954 1.00 0.00 C ATOM 801 O GLU A 55 -3.765 -0.297 -0.910 1.00 0.00 O ATOM 802 CB GLU A 55 -4.710 1.558 -3.203 1.00 0.00 C ATOM 803 CG GLU A 55 -5.964 2.117 -2.527 1.00 0.00 C ATOM 804 CD GLU A 55 -7.049 1.044 -2.411 1.00 0.00 C ATOM 805 OE1 GLU A 55 -7.000 0.294 -1.412 1.00 0.00 O ATOM 806 OE2 GLU A 55 -7.902 0.998 -3.323 1.00 0.00 O ATOM 0 H GLU A 55 -2.319 0.124 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.332 2.716 -2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.515 2.105 -4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.875 0.517 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.711 2.492 -1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.344 2.963 -3.100 1.00 0.00 H new ATOM 813 N ARG A 56 -3.957 1.723 0.090 1.00 0.00 N ATOM 814 CA ARG A 56 -4.213 1.170 1.408 1.00 0.00 C ATOM 815 C ARG A 56 -5.645 0.637 1.491 1.00 0.00 C ATOM 816 O ARG A 56 -6.581 1.397 1.734 1.00 0.00 O ATOM 817 CB ARG A 56 -4.005 2.224 2.498 1.00 0.00 C ATOM 818 CG ARG A 56 -3.869 1.570 3.875 1.00 0.00 C ATOM 819 CD ARG A 56 -3.849 2.625 4.983 1.00 0.00 C ATOM 820 NE ARG A 56 -4.914 3.625 4.749 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.890 4.874 5.232 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.856 5.285 5.979 1.00 0.00 N ATOM 823 NH2 ARG A 56 -5.901 5.714 4.970 1.00 0.00 N ATOM 0 H ARG A 56 -3.948 2.742 0.049 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.508 0.354 1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.111 2.807 2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.845 2.918 2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.698 0.882 4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.953 0.980 3.913 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.993 2.149 5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.877 3.117 5.011 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.717 3.346 4.185 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.086 4.646 6.180 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.839 6.236 6.346 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.689 5.402 4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.882 6.665 5.338 1.00 0.00 H new ATOM 837 N LEU A 57 -5.771 -0.666 1.284 1.00 0.00 N ATOM 838 CA LEU A 57 -7.072 -1.310 1.331 1.00 0.00 C ATOM 839 C LEU A 57 -7.835 -0.818 2.563 1.00 0.00 C ATOM 840 O LEU A 57 -9.065 -0.822 2.579 1.00 0.00 O ATOM 841 CB LEU A 57 -6.921 -2.831 1.269 1.00 0.00 C ATOM 842 CG LEU A 57 -6.266 -3.388 0.003 1.00 0.00 C ATOM 843 CD1 LEU A 57 -6.718 -2.613 -1.235 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.742 -3.412 0.140 1.00 0.00 C ATOM 0 H LEU A 57 -4.992 -1.293 1.083 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.664 -1.036 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.335 -3.154 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.909 -3.279 1.370 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.594 -4.419 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.238 -3.029 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.800 -2.692 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.439 -1.565 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.301 -3.812 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.376 -2.399 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.462 -4.042 0.984 1.00 0.00 H new ATOM 856 N ARG A 58 -7.073 -0.406 3.566 1.00 0.00 N ATOM 857 CA ARG A 58 -7.661 0.088 4.799 1.00 0.00 C ATOM 858 C ARG A 58 -8.835 1.020 4.491 1.00 0.00 C ATOM 859 O ARG A 58 -9.982 0.703 4.804 1.00 0.00 O ATOM 860 CB ARG A 58 -6.628 0.842 5.639 1.00 0.00 C ATOM 861 CG ARG A 58 -7.258 1.390 6.921 1.00 0.00 C ATOM 862 CD ARG A 58 -6.660 2.749 7.288 1.00 0.00 C ATOM 863 NE ARG A 58 -6.688 2.935 8.756 1.00 0.00 N ATOM 864 CZ ARG A 58 -7.784 3.270 9.450 1.00 0.00 C ATOM 865 NH1 ARG A 58 -8.948 3.458 8.814 1.00 0.00 N ATOM 866 NH2 ARG A 58 -7.717 3.417 10.780 1.00 0.00 N ATOM 0 H ARG A 58 -6.053 -0.404 3.549 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.015 -0.773 5.366 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.803 0.176 5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.209 1.662 5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.336 1.487 6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.099 0.686 7.738 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.634 2.814 6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.222 3.546 6.801 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.818 2.800 9.272 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.000 3.346 7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.782 3.713 9.342 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.831 3.274 11.265 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.552 3.672 11.308 1.00 0.00 H new ATOM 880 N ASP A 59 -8.509 2.150 3.882 1.00 0.00 N ATOM 881 CA ASP A 59 -9.522 3.130 3.529 1.00 0.00 C ATOM 882 C ASP A 59 -9.590 3.260 2.006 1.00 0.00 C ATOM 883 O ASP A 59 -10.624 3.635 1.457 1.00 0.00 O ATOM 884 CB ASP A 59 -9.184 4.505 4.107 1.00 0.00 C ATOM 885 CG ASP A 59 -10.393 5.370 4.468 1.00 0.00 C ATOM 886 OD1 ASP A 59 -10.980 5.947 3.526 1.00 0.00 O ATOM 887 OD2 ASP A 59 -10.703 5.436 5.677 1.00 0.00 O ATOM 0 H ASP A 59 -7.557 2.409 3.624 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.475 2.792 3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.575 4.367 5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.572 5.046 3.385 1.00 0.00 H new ATOM 892 N GLY A 60 -8.473 2.943 1.367 1.00 0.00 N ATOM 893 CA GLY A 60 -8.393 3.020 -0.082 1.00 0.00 C ATOM 894 C GLY A 60 -7.414 4.112 -0.520 1.00 0.00 C ATOM 895 O GLY A 60 -7.278 4.388 -1.711 1.00 0.00 O ATOM 0 H GLY A 60 -7.617 2.633 1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.074 2.058 -0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.381 3.226 -0.494 1.00 0.00 H new ATOM 899 N GLU A 61 -6.757 4.703 0.467 1.00 0.00 N ATOM 900 CA GLU A 61 -5.794 5.758 0.199 1.00 0.00 C ATOM 901 C GLU A 61 -4.672 5.236 -0.701 1.00 0.00 C ATOM 902 O GLU A 61 -4.078 4.197 -0.420 1.00 0.00 O ATOM 903 CB GLU A 61 -5.230 6.329 1.502 1.00 0.00 C ATOM 904 CG GLU A 61 -6.086 7.493 2.005 1.00 0.00 C ATOM 905 CD GLU A 61 -7.565 7.104 2.057 1.00 0.00 C ATOM 906 OE1 GLU A 61 -8.094 6.741 0.985 1.00 0.00 O ATOM 907 OE2 GLU A 61 -8.133 7.179 3.168 1.00 0.00 O ATOM 0 H GLU A 61 -6.872 4.471 1.454 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.306 6.567 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.192 5.547 2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.206 6.668 1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.750 7.794 2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.956 8.354 1.350 1.00 0.00 H new ATOM 914 N THR A 62 -4.417 5.982 -1.766 1.00 0.00 N ATOM 915 CA THR A 62 -3.378 5.608 -2.710 1.00 0.00 C ATOM 916 C THR A 62 -2.238 6.628 -2.680 1.00 0.00 C ATOM 917 O THR A 62 -2.427 7.787 -3.049 1.00 0.00 O ATOM 918 CB THR A 62 -4.023 5.459 -4.089 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.294 4.875 -3.817 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.313 4.418 -4.958 1.00 0.00 C ATOM 0 H THR A 62 -4.912 6.844 -1.996 1.00 0.00 H new ATOM 0 HA THR A 62 -2.926 4.653 -2.442 1.00 0.00 H new ATOM 0 HB THR A 62 -4.017 6.423 -4.598 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.781 4.745 -4.658 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.810 4.351 -5.926 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.274 4.713 -5.104 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.348 3.447 -4.464 1.00 0.00 H new ATOM 928 N GLY A 63 -1.080 6.161 -2.237 1.00 0.00 N ATOM 929 CA GLY A 63 0.090 7.018 -2.154 1.00 0.00 C ATOM 930 C GLY A 63 1.370 6.228 -2.436 1.00 0.00 C ATOM 931 O GLY A 63 1.312 5.050 -2.785 1.00 0.00 O ATOM 0 H GLY A 63 -0.927 5.200 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.002 7.835 -2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.147 7.467 -1.162 1.00 0.00 H new ATOM 935 N TRP A 64 2.495 6.908 -2.273 1.00 0.00 N ATOM 936 CA TRP A 64 3.787 6.285 -2.505 1.00 0.00 C ATOM 937 C TRP A 64 4.327 5.799 -1.159 1.00 0.00 C ATOM 938 O TRP A 64 4.539 6.596 -0.247 1.00 0.00 O ATOM 939 CB TRP A 64 4.739 7.246 -3.219 1.00 0.00 C ATOM 940 CG TRP A 64 4.467 7.393 -4.718 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.654 8.266 -5.327 1.00 0.00 C ATOM 942 CD2 TRP A 64 5.047 6.604 -5.778 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.666 8.098 -6.697 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.541 7.055 -6.980 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.969 5.544 -5.724 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.897 6.505 -8.217 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.315 5.005 -6.969 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.814 5.448 -8.187 1.00 0.00 C ATOM 0 H TRP A 64 2.539 7.885 -1.983 1.00 0.00 H new ATOM 0 HA TRP A 64 3.687 5.427 -3.170 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.668 8.227 -2.749 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.763 6.899 -3.078 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.063 9.008 -4.811 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.132 8.639 -7.377 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.378 5.175 -4.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.486 6.876 -9.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 7.021 4.188 -6.984 1.00 0.00 H new ATOM 0 HH2 TRP A 64 6.131 4.979 -9.107 1.00 0.00 H new ATOM 959 N PHE A 65 4.533 4.493 -1.076 1.00 0.00 N ATOM 960 CA PHE A 65 5.044 3.891 0.144 1.00 0.00 C ATOM 961 C PHE A 65 6.348 3.137 -0.121 1.00 0.00 C ATOM 962 O PHE A 65 6.435 2.352 -1.064 1.00 0.00 O ATOM 963 CB PHE A 65 3.985 2.900 0.631 1.00 0.00 C ATOM 964 CG PHE A 65 4.029 1.545 -0.078 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.024 0.662 0.203 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.072 1.223 -0.989 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.065 -0.596 -0.455 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.112 -0.035 -1.647 1.00 0.00 C ATOM 969 CZ PHE A 65 4.108 -0.918 -1.366 1.00 0.00 C ATOM 0 H PHE A 65 4.355 3.834 -1.834 1.00 0.00 H new ATOM 0 HA PHE A 65 5.248 4.665 0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.114 2.743 1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.998 3.340 0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.784 0.917 0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.281 1.924 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.856 -1.297 -0.232 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.352 -0.291 -2.370 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.139 -1.875 -1.866 1.00 0.00 H new ATOM 979 N PRO A 66 7.357 3.409 0.750 1.00 0.00 N ATOM 980 CA PRO A 66 8.653 2.765 0.619 1.00 0.00 C ATOM 981 C PRO A 66 8.592 1.310 1.089 1.00 0.00 C ATOM 982 O PRO A 66 7.747 0.954 1.910 1.00 0.00 O ATOM 983 CB PRO A 66 9.601 3.617 1.446 1.00 0.00 C ATOM 984 CG PRO A 66 8.721 4.433 2.380 1.00 0.00 C ATOM 985 CD PRO A 66 7.290 4.333 1.878 1.00 0.00 C ATOM 0 HA PRO A 66 8.991 2.707 -0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.296 2.994 2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.200 4.266 0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.795 4.056 3.400 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.047 5.473 2.400 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.623 3.961 2.655 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.909 5.307 1.570 1.00 0.00 H new ATOM 993 N GLU A 67 9.499 0.509 0.550 1.00 0.00 N ATOM 994 CA GLU A 67 9.559 -0.899 0.904 1.00 0.00 C ATOM 995 C GLU A 67 10.172 -1.071 2.295 1.00 0.00 C ATOM 996 O GLU A 67 9.777 -1.961 3.046 1.00 0.00 O ATOM 997 CB GLU A 67 10.342 -1.695 -0.143 1.00 0.00 C ATOM 998 CG GLU A 67 11.623 -0.961 -0.544 1.00 0.00 C ATOM 999 CD GLU A 67 12.817 -1.917 -0.570 1.00 0.00 C ATOM 1000 OE1 GLU A 67 13.463 -2.048 0.492 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.057 -2.496 -1.652 1.00 0.00 O ATOM 0 H GLU A 67 10.199 0.808 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 67 8.542 -1.292 0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.592 -2.679 0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.720 -1.855 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.494 -0.508 -1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.817 -0.150 0.158 1.00 0.00 H new ATOM 1008 N ASP A 68 11.128 -0.204 2.596 1.00 0.00 N ATOM 1009 CA ASP A 68 11.799 -0.248 3.884 1.00 0.00 C ATOM 1010 C ASP A 68 10.753 -0.234 5.001 1.00 0.00 C ATOM 1011 O ASP A 68 11.032 -0.655 6.122 1.00 0.00 O ATOM 1012 CB ASP A 68 12.709 0.967 4.073 1.00 0.00 C ATOM 1013 CG ASP A 68 14.124 0.646 4.558 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.497 -0.544 4.474 1.00 0.00 O ATOM 1015 OD2 ASP A 68 14.801 1.598 5.003 1.00 0.00 O ATOM 0 H ASP A 68 11.454 0.533 1.970 1.00 0.00 H new ATOM 0 HA ASP A 68 12.399 -1.157 3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.778 1.501 3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.241 1.645 4.787 1.00 0.00 H new ATOM 1020 N PHE A 69 9.572 0.255 4.655 1.00 0.00 N ATOM 1021 CA PHE A 69 8.483 0.329 5.614 1.00 0.00 C ATOM 1022 C PHE A 69 7.402 -0.707 5.299 1.00 0.00 C ATOM 1023 O PHE A 69 6.255 -0.559 5.715 1.00 0.00 O ATOM 1024 CB PHE A 69 7.879 1.730 5.497 1.00 0.00 C ATOM 1025 CG PHE A 69 8.793 2.846 6.005 1.00 0.00 C ATOM 1026 CD1 PHE A 69 9.899 3.196 5.294 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.501 3.490 7.167 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.748 4.232 5.766 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.349 4.526 7.638 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.455 4.875 6.927 1.00 0.00 C ATOM 0 H PHE A 69 9.345 0.604 3.724 1.00 0.00 H new ATOM 0 HA PHE A 69 8.858 0.129 6.618 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.634 1.923 4.453 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.943 1.759 6.055 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.131 2.686 4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.623 3.213 7.732 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.627 4.509 5.202 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.116 5.037 8.561 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.100 5.663 7.285 1.00 0.00 H new ATOM 1040 N ALA A 70 7.808 -1.733 4.565 1.00 0.00 N ATOM 1041 CA ALA A 70 6.889 -2.794 4.189 1.00 0.00 C ATOM 1042 C ALA A 70 7.680 -4.072 3.905 1.00 0.00 C ATOM 1043 O ALA A 70 8.909 -4.045 3.845 1.00 0.00 O ATOM 1044 CB ALA A 70 6.055 -2.345 2.988 1.00 0.00 C ATOM 0 H ALA A 70 8.761 -1.852 4.221 1.00 0.00 H new ATOM 0 HA ALA A 70 6.198 -3.009 5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.366 -3.141 2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.489 -1.451 3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.715 -2.122 2.150 1.00 0.00 H new ATOM 1050 N ARG A 71 6.945 -5.161 3.738 1.00 0.00 N ATOM 1051 CA ARG A 71 7.563 -6.447 3.462 1.00 0.00 C ATOM 1052 C ARG A 71 6.767 -7.200 2.393 1.00 0.00 C ATOM 1053 O ARG A 71 5.640 -7.626 2.639 1.00 0.00 O ATOM 1054 CB ARG A 71 7.641 -7.304 4.727 1.00 0.00 C ATOM 1055 CG ARG A 71 9.020 -7.191 5.380 1.00 0.00 C ATOM 1056 CD ARG A 71 9.444 -8.525 5.998 1.00 0.00 C ATOM 1057 NE ARG A 71 10.448 -9.187 5.134 1.00 0.00 N ATOM 1058 CZ ARG A 71 11.710 -8.761 4.988 1.00 0.00 C ATOM 1059 NH1 ARG A 71 12.131 -7.673 5.647 1.00 0.00 N ATOM 1060 NH2 ARG A 71 12.552 -9.424 4.183 1.00 0.00 N ATOM 0 H ARG A 71 5.926 -5.180 3.788 1.00 0.00 H new ATOM 0 HA ARG A 71 8.574 -6.258 3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.873 -6.988 5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.436 -8.345 4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.754 -6.881 4.637 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.000 -6.419 6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.860 -8.359 6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.575 -9.171 6.120 1.00 0.00 H new ATOM 0 HE ARG A 71 10.161 -10.019 4.618 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.491 -7.169 6.260 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.092 -7.349 5.535 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.232 -10.253 3.682 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.513 -9.100 4.072 1.00 0.00 H new ATOM 1074 N PHE A 72 7.385 -7.339 1.230 1.00 0.00 N ATOM 1075 CA PHE A 72 6.749 -8.033 0.123 1.00 0.00 C ATOM 1076 C PHE A 72 6.262 -9.419 0.551 1.00 0.00 C ATOM 1077 O PHE A 72 7.051 -10.358 0.638 1.00 0.00 O ATOM 1078 CB PHE A 72 7.806 -8.193 -0.972 1.00 0.00 C ATOM 1079 CG PHE A 72 7.733 -7.128 -2.068 1.00 0.00 C ATOM 1080 CD1 PHE A 72 6.822 -7.246 -3.071 1.00 0.00 C ATOM 1081 CD2 PHE A 72 8.579 -6.063 -2.039 1.00 0.00 C ATOM 1082 CE1 PHE A 72 6.754 -6.257 -4.088 1.00 0.00 C ATOM 1083 CE2 PHE A 72 8.510 -5.075 -3.057 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.599 -5.193 -4.059 1.00 0.00 C ATOM 0 H PHE A 72 8.320 -6.983 1.030 1.00 0.00 H new ATOM 0 HA PHE A 72 5.886 -7.465 -0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.795 -8.162 -0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.696 -9.177 -1.428 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.150 -8.092 -3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.302 -5.969 -1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.031 -6.350 -4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.182 -4.230 -3.035 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.547 -4.441 -4.832 1.00 0.00 H new ATOM 1094 N ILE A 73 4.965 -9.502 0.807 1.00 0.00 N ATOM 1095 CA ILE A 73 4.364 -10.757 1.225 1.00 0.00 C ATOM 1096 C ILE A 73 4.601 -11.815 0.145 1.00 0.00 C ATOM 1097 O ILE A 73 5.273 -12.816 0.389 1.00 0.00 O ATOM 1098 CB ILE A 73 2.888 -10.555 1.573 1.00 0.00 C ATOM 1099 CG1 ILE A 73 2.721 -9.482 2.651 1.00 0.00 C ATOM 1100 CG2 ILE A 73 2.232 -11.878 1.974 1.00 0.00 C ATOM 1101 CD1 ILE A 73 1.260 -9.042 2.766 1.00 0.00 C ATOM 0 H ILE A 73 4.313 -8.721 0.733 1.00 0.00 H new ATOM 0 HA ILE A 73 4.836 -11.120 2.138 1.00 0.00 H new ATOM 0 HB ILE A 73 2.373 -10.199 0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.064 -9.869 3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.346 -8.621 2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.183 -11.705 2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.302 -12.584 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.743 -12.288 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.170 -8.279 3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.927 -8.633 1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.641 -9.900 3.029 1.00 0.00 H new ATOM 1113 N SER A 74 4.037 -11.557 -1.026 1.00 0.00 N ATOM 1114 CA SER A 74 4.178 -12.475 -2.143 1.00 0.00 C ATOM 1115 C SER A 74 4.629 -11.713 -3.391 1.00 0.00 C ATOM 1116 O SER A 74 4.028 -10.705 -3.759 1.00 0.00 O ATOM 1117 CB SER A 74 2.868 -13.215 -2.418 1.00 0.00 C ATOM 1118 OG SER A 74 1.789 -12.318 -2.663 1.00 0.00 O ATOM 0 H SER A 74 3.481 -10.725 -1.225 1.00 0.00 H new ATOM 0 HA SER A 74 4.934 -13.216 -1.883 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.996 -13.871 -3.279 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.625 -13.850 -1.566 1.00 0.00 H new ATOM 0 HG SER A 74 2.138 -11.480 -3.031 1.00 0.00 H new ATOM 1124 N GLY A 75 5.684 -12.225 -4.009 1.00 0.00 N ATOM 1125 CA GLY A 75 6.222 -11.606 -5.208 1.00 0.00 C ATOM 1126 C GLY A 75 6.761 -12.662 -6.176 1.00 0.00 C ATOM 1127 O GLY A 75 6.502 -13.852 -6.008 1.00 0.00 O ATOM 0 H GLY A 75 6.180 -13.061 -3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.445 -11.020 -5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.020 -10.914 -4.938 1.00 0.00 H new ATOM 1131 N PRO A 76 7.522 -12.175 -7.192 1.00 0.00 N ATOM 1132 CA PRO A 76 8.100 -13.063 -8.187 1.00 0.00 C ATOM 1133 C PRO A 76 9.295 -13.825 -7.612 1.00 0.00 C ATOM 1134 O PRO A 76 9.781 -13.501 -6.529 1.00 0.00 O ATOM 1135 CB PRO A 76 8.475 -12.160 -9.350 1.00 0.00 C ATOM 1136 CG PRO A 76 8.523 -10.749 -8.785 1.00 0.00 C ATOM 1137 CD PRO A 76 7.850 -10.771 -7.422 1.00 0.00 C ATOM 0 HA PRO A 76 7.407 -13.840 -8.511 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.439 -12.445 -9.770 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.742 -12.234 -10.154 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.554 -10.408 -8.696 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.013 -10.053 -9.451 1.00 0.00 H new ATOM 0 HD2 PRO A 76 8.513 -10.387 -6.647 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.955 -10.149 -7.412 1.00 0.00 H new ATOM 1145 N SER A 77 9.735 -14.825 -8.362 1.00 0.00 N ATOM 1146 CA SER A 77 10.865 -15.636 -7.941 1.00 0.00 C ATOM 1147 C SER A 77 11.261 -16.602 -9.059 1.00 0.00 C ATOM 1148 O SER A 77 10.431 -16.969 -9.890 1.00 0.00 O ATOM 1149 CB SER A 77 10.541 -16.409 -6.661 1.00 0.00 C ATOM 1150 OG SER A 77 11.700 -16.629 -5.863 1.00 0.00 O ATOM 0 H SER A 77 9.329 -15.092 -9.259 1.00 0.00 H new ATOM 0 HA SER A 77 11.703 -14.972 -7.730 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.801 -15.857 -6.081 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.092 -17.368 -6.920 1.00 0.00 H new ATOM 0 HG SER A 77 11.451 -17.124 -5.054 1.00 0.00 H new ATOM 1156 N SER A 78 12.528 -16.987 -9.044 1.00 0.00 N ATOM 1157 CA SER A 78 13.044 -17.904 -10.046 1.00 0.00 C ATOM 1158 C SER A 78 12.593 -19.332 -9.731 1.00 0.00 C ATOM 1159 O SER A 78 12.451 -19.699 -8.566 1.00 0.00 O ATOM 1160 CB SER A 78 14.571 -17.835 -10.122 1.00 0.00 C ATOM 1161 OG SER A 78 15.015 -16.996 -11.185 1.00 0.00 O ATOM 0 H SER A 78 13.213 -16.681 -8.353 1.00 0.00 H new ATOM 0 HA SER A 78 12.645 -17.609 -11.016 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.965 -17.461 -9.177 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.973 -18.839 -10.260 1.00 0.00 H new ATOM 0 HG SER A 78 15.995 -16.977 -11.199 1.00 0.00 H new ATOM 1167 N GLY A 79 12.380 -20.098 -10.790 1.00 0.00 N ATOM 1168 CA GLY A 79 11.947 -21.477 -10.642 1.00 0.00 C ATOM 1169 C GLY A 79 12.421 -22.331 -11.820 1.00 0.00 C ATOM 1170 O GLY A 79 12.547 -21.836 -12.939 1.00 0.00 O ATOM 0 H GLY A 79 12.499 -19.790 -11.755 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.338 -21.887 -9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.860 -21.515 -10.575 1.00 0.00 H new TER 1174 GLY A 79