USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot -87:sc= -3.62! USER MOD Set 1.2: A 51 GLN :FLIP amide:sc= -11! C(o=-18!,f=-15!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -160:sc= -2.05 USER MOD Single : A 20 SER OG : rot -59:sc= 1.01 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 172:sc= 0.00468 USER MOD Single : A 28 ASN :FLIP amide:sc= 0.488 F(o=-2.4!,f=0.49) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.149) USER MOD Single : A 37 ASN : amide:sc=-0.00575 K(o=-0.0058,f=-0.56) USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.0335 (180deg=-0.326) USER MOD Single : A 39 ASN : amide:sc=-0.00639 X(o=-0.0064,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.295 X(o=-0.3,f=-0.28) USER MOD Single : A 45 MET CE :methyl -161:sc= -1.14 (180deg=-1.78) USER MOD Single : A 46 ASN : amide:sc= -0.0669 X(o=-0.067,f=-0.28) USER MOD Single : A 48 ASN : amide:sc= 0.299 K(o=0.3,f=-1.4) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -149:sc= -0.0626 (180deg=-1.28!) USER MOD Single : A 56 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.21) USER MOD Single : A 59 LYS NZ :NH3+ -147:sc= 0.0576 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 0.179 13.542 -3.957 1.00 0.00 N ATOM 2 CA ILE A 6 0.904 14.002 -2.740 1.00 0.00 C ATOM 3 C ILE A 6 2.323 13.404 -2.747 1.00 0.00 C ATOM 4 O ILE A 6 2.481 12.222 -2.980 1.00 0.00 O ATOM 5 CB ILE A 6 0.135 13.520 -1.493 1.00 0.00 C ATOM 6 CG1 ILE A 6 -1.201 14.292 -1.415 1.00 0.00 C ATOM 7 CG2 ILE A 6 0.970 13.756 -0.213 1.00 0.00 C ATOM 8 CD1 ILE A 6 -1.838 14.133 -0.034 1.00 0.00 C ATOM 0 HA ILE A 6 0.973 15.090 -2.726 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.058 12.450 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.029 15.348 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.884 13.924 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.410 13.409 0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.908 13.205 -0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.181 14.820 -0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.778 14.685 -0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.030 13.077 0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.161 14.523 0.726 1.00 0.00 H new ATOM 20 N PRO A 7 3.359 14.180 -2.472 1.00 0.00 N ATOM 21 CA PRO A 7 4.739 13.627 -2.441 1.00 0.00 C ATOM 22 C PRO A 7 4.820 12.414 -1.504 1.00 0.00 C ATOM 23 O PRO A 7 4.579 12.511 -0.318 1.00 0.00 O ATOM 24 CB PRO A 7 5.631 14.779 -1.940 1.00 0.00 C ATOM 25 CG PRO A 7 4.814 16.037 -2.068 1.00 0.00 C ATOM 26 CD PRO A 7 3.334 15.627 -2.176 1.00 0.00 C ATOM 0 HA PRO A 7 5.057 13.274 -3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.932 14.615 -0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.545 14.848 -2.531 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.969 16.683 -1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.119 16.603 -2.948 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.799 15.831 -1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.827 16.183 -2.965 1.00 0.00 H new ATOM 34 N ILE A 8 5.141 11.278 -2.048 1.00 0.00 N ATOM 35 CA ILE A 8 5.240 10.028 -1.254 1.00 0.00 C ATOM 36 C ILE A 8 5.816 10.277 0.161 1.00 0.00 C ATOM 37 O ILE A 8 5.339 9.728 1.133 1.00 0.00 O ATOM 38 CB ILE A 8 6.158 9.081 -2.026 1.00 0.00 C ATOM 39 CG1 ILE A 8 6.057 7.700 -1.409 1.00 0.00 C ATOM 40 CG2 ILE A 8 7.587 9.589 -1.970 1.00 0.00 C ATOM 41 CD1 ILE A 8 7.056 6.750 -2.071 1.00 0.00 C ATOM 0 H ILE A 8 5.345 11.162 -3.041 1.00 0.00 H new ATOM 0 HA ILE A 8 4.244 9.607 -1.116 1.00 0.00 H new ATOM 0 HB ILE A 8 5.856 9.033 -3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.253 7.757 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.044 7.314 -1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.237 8.910 -2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.638 10.582 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.914 9.640 -0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.973 5.762 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.840 6.680 -3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.068 7.130 -1.930 1.00 0.00 H new ATOM 53 N TRP A 9 6.847 11.072 0.278 1.00 0.00 N ATOM 54 CA TRP A 9 7.471 11.325 1.624 1.00 0.00 C ATOM 55 C TRP A 9 6.569 12.244 2.463 1.00 0.00 C ATOM 56 O TRP A 9 6.898 12.576 3.585 1.00 0.00 O ATOM 57 CB TRP A 9 8.861 11.988 1.434 1.00 0.00 C ATOM 58 CG TRP A 9 8.868 12.694 0.122 1.00 0.00 C ATOM 59 CD1 TRP A 9 8.351 13.921 -0.110 1.00 0.00 C ATOM 60 CD2 TRP A 9 9.359 12.207 -1.154 1.00 0.00 C ATOM 61 NE1 TRP A 9 8.497 14.218 -1.448 1.00 0.00 N ATOM 62 CE2 TRP A 9 9.104 13.191 -2.136 1.00 0.00 C ATOM 63 CE3 TRP A 9 9.992 11.016 -1.552 1.00 0.00 C ATOM 64 CZ2 TRP A 9 9.453 12.998 -3.466 1.00 0.00 C ATOM 65 CZ3 TRP A 9 10.339 10.817 -2.895 1.00 0.00 C ATOM 66 CH2 TRP A 9 10.067 11.807 -3.847 1.00 0.00 C ATOM 0 H TRP A 9 7.290 11.562 -0.500 1.00 0.00 H new ATOM 0 HA TRP A 9 7.588 10.375 2.146 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.061 12.690 2.244 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.648 11.235 1.464 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.898 14.563 0.631 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.192 15.092 -1.876 1.00 0.00 H new ATOM 0 HE3 TRP A 9 10.211 10.252 -0.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 9.250 13.765 -4.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.818 9.897 -3.197 1.00 0.00 H new ATOM 0 HH2 TRP A 9 10.334 11.647 -4.881 1.00 0.00 H new ATOM 77 N GLU A 10 5.445 12.665 1.930 1.00 0.00 N ATOM 78 CA GLU A 10 4.526 13.575 2.698 1.00 0.00 C ATOM 79 C GLU A 10 3.128 12.952 2.793 1.00 0.00 C ATOM 80 O GLU A 10 2.129 13.615 2.600 1.00 0.00 O ATOM 81 CB GLU A 10 4.444 14.934 1.982 1.00 0.00 C ATOM 82 CG GLU A 10 5.645 15.803 2.381 1.00 0.00 C ATOM 83 CD GLU A 10 5.823 16.935 1.366 1.00 0.00 C ATOM 84 OE1 GLU A 10 5.103 17.915 1.469 1.00 0.00 O ATOM 85 OE2 GLU A 10 6.675 16.801 0.503 1.00 0.00 O ATOM 0 H GLU A 10 5.122 12.418 0.995 1.00 0.00 H new ATOM 0 HA GLU A 10 4.916 13.716 3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.432 14.787 0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.514 15.439 2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.492 16.216 3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.548 15.194 2.424 1.00 0.00 H new ATOM 92 N ARG A 11 3.043 11.688 3.112 1.00 0.00 N ATOM 93 CA ARG A 11 1.700 11.044 3.242 1.00 0.00 C ATOM 94 C ARG A 11 1.770 9.911 4.272 1.00 0.00 C ATOM 95 O ARG A 11 2.825 9.588 4.781 1.00 0.00 O ATOM 96 CB ARG A 11 1.229 10.522 1.881 1.00 0.00 C ATOM 97 CG ARG A 11 1.985 9.256 1.489 1.00 0.00 C ATOM 98 CD ARG A 11 1.652 8.927 0.031 1.00 0.00 C ATOM 99 NE ARG A 11 0.174 8.879 -0.151 1.00 0.00 N ATOM 100 CZ ARG A 11 -0.335 8.952 -1.352 1.00 0.00 C ATOM 101 NH1 ARG A 11 0.452 9.028 -2.390 1.00 0.00 N ATOM 102 NH2 ARG A 11 -1.630 8.944 -1.517 1.00 0.00 N ATOM 0 H ARG A 11 3.839 11.075 3.288 1.00 0.00 H new ATOM 0 HA ARG A 11 0.976 11.782 3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.160 10.315 1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.379 11.289 1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.058 9.403 1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.702 8.428 2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.085 9.679 -0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.093 7.969 -0.245 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.439 8.789 0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.464 9.030 -2.264 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.055 9.085 -3.328 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.247 8.881 -0.707 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.025 9.001 -2.456 1.00 0.00 H new ATOM 116 N TYR A 12 0.645 9.327 4.603 1.00 0.00 N ATOM 117 CA TYR A 12 0.619 8.233 5.629 1.00 0.00 C ATOM 118 C TYR A 12 0.459 6.867 4.954 1.00 0.00 C ATOM 119 O TYR A 12 0.680 5.840 5.563 1.00 0.00 O ATOM 120 CB TYR A 12 -0.563 8.474 6.578 1.00 0.00 C ATOM 121 CG TYR A 12 -1.776 8.897 5.777 1.00 0.00 C ATOM 122 CD1 TYR A 12 -1.842 10.186 5.231 1.00 0.00 C ATOM 123 CD2 TYR A 12 -2.833 8.000 5.577 1.00 0.00 C ATOM 124 CE1 TYR A 12 -2.962 10.577 4.486 1.00 0.00 C ATOM 125 CE2 TYR A 12 -3.953 8.392 4.832 1.00 0.00 C ATOM 126 CZ TYR A 12 -4.018 9.680 4.287 1.00 0.00 C ATOM 127 OH TYR A 12 -5.121 10.064 3.554 1.00 0.00 O ATOM 0 H TYR A 12 -0.264 9.561 4.205 1.00 0.00 H new ATOM 0 HA TYR A 12 1.558 8.239 6.183 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.783 7.566 7.139 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.308 9.244 7.306 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.028 10.879 5.385 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.785 7.006 5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.011 11.570 4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.767 7.700 4.678 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.760 9.322 3.511 1.00 0.00 H new ATOM 137 N THR A 13 0.071 6.844 3.705 1.00 0.00 N ATOM 138 CA THR A 13 -0.110 5.539 2.992 1.00 0.00 C ATOM 139 C THR A 13 0.430 5.668 1.564 1.00 0.00 C ATOM 140 O THR A 13 0.524 6.749 1.025 1.00 0.00 O ATOM 141 CB THR A 13 -1.609 5.187 2.966 1.00 0.00 C ATOM 142 OG1 THR A 13 -2.359 6.376 2.759 1.00 0.00 O ATOM 143 CG2 THR A 13 -2.052 4.539 4.299 1.00 0.00 C ATOM 0 H THR A 13 -0.129 7.673 3.145 1.00 0.00 H new ATOM 0 HA THR A 13 0.435 4.748 3.507 1.00 0.00 H new ATOM 0 HB THR A 13 -1.784 4.475 2.159 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.540 6.803 3.622 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.115 4.301 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.482 3.625 4.466 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.872 5.234 5.119 1.00 0.00 H new ATOM 151 N LEU A 14 0.808 4.567 0.959 1.00 0.00 N ATOM 152 CA LEU A 14 1.372 4.604 -0.431 1.00 0.00 C ATOM 153 C LEU A 14 0.403 3.968 -1.423 1.00 0.00 C ATOM 154 O LEU A 14 -0.207 2.958 -1.154 1.00 0.00 O ATOM 155 CB LEU A 14 2.697 3.820 -0.447 1.00 0.00 C ATOM 156 CG LEU A 14 3.851 4.766 -0.134 1.00 0.00 C ATOM 157 CD1 LEU A 14 3.653 5.390 1.253 1.00 0.00 C ATOM 158 CD2 LEU A 14 5.176 4.000 -0.183 1.00 0.00 C ATOM 0 H LEU A 14 0.750 3.636 1.371 1.00 0.00 H new ATOM 0 HA LEU A 14 1.536 5.642 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.664 3.014 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.846 3.357 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 14 3.874 5.562 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.481 6.065 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.717 5.947 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.620 4.602 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.998 4.680 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.159 3.196 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.316 3.578 -1.178 1.00 0.00 H new ATOM 170 N THR A 15 0.285 4.546 -2.583 1.00 0.00 N ATOM 171 CA THR A 15 -0.617 3.970 -3.609 1.00 0.00 C ATOM 172 C THR A 15 0.079 2.796 -4.267 1.00 0.00 C ATOM 173 O THR A 15 1.264 2.590 -4.092 1.00 0.00 O ATOM 174 CB THR A 15 -0.929 5.020 -4.668 1.00 0.00 C ATOM 175 OG1 THR A 15 0.272 5.659 -5.066 1.00 0.00 O ATOM 176 CG2 THR A 15 -1.888 6.047 -4.092 1.00 0.00 C ATOM 0 H THR A 15 0.776 5.395 -2.864 1.00 0.00 H new ATOM 0 HA THR A 15 -1.545 3.644 -3.139 1.00 0.00 H new ATOM 0 HB THR A 15 -1.388 4.542 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.061 6.519 -5.487 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.113 6.799 -4.848 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.810 5.553 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.430 6.527 -3.227 1.00 0.00 H new ATOM 184 N ILE A 16 -0.630 2.026 -5.034 1.00 0.00 N ATOM 185 CA ILE A 16 0.023 0.887 -5.698 1.00 0.00 C ATOM 186 C ILE A 16 1.194 1.425 -6.519 1.00 0.00 C ATOM 187 O ILE A 16 2.222 0.792 -6.645 1.00 0.00 O ATOM 188 CB ILE A 16 -0.981 0.171 -6.592 1.00 0.00 C ATOM 189 CG1 ILE A 16 -2.078 -0.443 -5.685 1.00 0.00 C ATOM 190 CG2 ILE A 16 -0.234 -0.907 -7.388 1.00 0.00 C ATOM 191 CD1 ILE A 16 -2.889 -1.513 -6.416 1.00 0.00 C ATOM 0 H ILE A 16 -1.625 2.139 -5.226 1.00 0.00 H new ATOM 0 HA ILE A 16 0.391 0.171 -4.963 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.456 0.851 -7.299 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.615 -0.880 -4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.746 0.346 -5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.936 -1.433 -8.036 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.540 -0.439 -7.996 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.225 -1.616 -6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.647 -1.917 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.374 -1.071 -7.286 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.225 -2.315 -6.739 1.00 0.00 H new ATOM 203 N GLU A 17 1.047 2.599 -7.072 1.00 0.00 N ATOM 204 CA GLU A 17 2.160 3.181 -7.872 1.00 0.00 C ATOM 205 C GLU A 17 3.298 3.572 -6.926 1.00 0.00 C ATOM 206 O GLU A 17 4.438 3.210 -7.141 1.00 0.00 O ATOM 207 CB GLU A 17 1.683 4.407 -8.666 1.00 0.00 C ATOM 208 CG GLU A 17 0.911 5.366 -7.760 1.00 0.00 C ATOM 209 CD GLU A 17 0.290 6.477 -8.606 1.00 0.00 C ATOM 210 OE1 GLU A 17 0.039 6.234 -9.775 1.00 0.00 O ATOM 211 OE2 GLU A 17 0.074 7.552 -8.071 1.00 0.00 O ATOM 0 H GLU A 17 0.209 3.176 -7.004 1.00 0.00 H new ATOM 0 HA GLU A 17 2.512 2.438 -8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.540 4.920 -9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.048 4.088 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.132 4.826 -7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.579 5.794 -7.012 1.00 0.00 H new ATOM 218 N GLU A 18 3.011 4.285 -5.863 1.00 0.00 N ATOM 219 CA GLU A 18 4.099 4.646 -4.920 1.00 0.00 C ATOM 220 C GLU A 18 4.598 3.354 -4.269 1.00 0.00 C ATOM 221 O GLU A 18 5.773 3.190 -4.005 1.00 0.00 O ATOM 222 CB GLU A 18 3.580 5.595 -3.827 1.00 0.00 C ATOM 223 CG GLU A 18 3.148 6.953 -4.409 1.00 0.00 C ATOM 224 CD GLU A 18 4.285 7.579 -5.222 1.00 0.00 C ATOM 225 OE1 GLU A 18 5.423 7.454 -4.806 1.00 0.00 O ATOM 226 OE2 GLU A 18 3.994 8.174 -6.246 1.00 0.00 O ATOM 0 H GLU A 18 2.082 4.625 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 18 4.900 5.152 -5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.735 5.133 -3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.359 5.750 -3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.271 6.820 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.859 7.625 -3.601 1.00 0.00 H new ATOM 233 N ALA A 19 3.705 2.432 -4.014 1.00 0.00 N ATOM 234 CA ALA A 19 4.114 1.143 -3.388 1.00 0.00 C ATOM 235 C ALA A 19 4.998 0.361 -4.361 1.00 0.00 C ATOM 236 O ALA A 19 6.000 -0.199 -3.987 1.00 0.00 O ATOM 237 CB ALA A 19 2.871 0.318 -3.044 1.00 0.00 C ATOM 0 H ALA A 19 2.708 2.519 -4.214 1.00 0.00 H new ATOM 0 HA ALA A 19 4.673 1.346 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.174 -0.624 -2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.246 0.875 -2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.306 0.114 -3.954 1.00 0.00 H new ATOM 243 N SER A 20 4.639 0.303 -5.609 1.00 0.00 N ATOM 244 CA SER A 20 5.485 -0.456 -6.568 1.00 0.00 C ATOM 245 C SER A 20 6.932 0.050 -6.501 1.00 0.00 C ATOM 246 O SER A 20 7.859 -0.721 -6.447 1.00 0.00 O ATOM 247 CB SER A 20 4.947 -0.272 -7.979 1.00 0.00 C ATOM 248 OG SER A 20 5.136 1.077 -8.385 1.00 0.00 O ATOM 0 H SER A 20 3.807 0.742 -6.004 1.00 0.00 H new ATOM 0 HA SER A 20 5.462 -1.514 -6.305 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.460 -0.945 -8.666 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.888 -0.528 -8.012 1.00 0.00 H new ATOM 0 HG SER A 20 4.668 1.674 -7.765 1.00 0.00 H new ATOM 254 N LYS A 21 7.142 1.335 -6.509 1.00 0.00 N ATOM 255 CA LYS A 21 8.544 1.850 -6.443 1.00 0.00 C ATOM 256 C LYS A 21 9.096 1.633 -5.024 1.00 0.00 C ATOM 257 O LYS A 21 10.132 1.030 -4.825 1.00 0.00 O ATOM 258 CB LYS A 21 8.547 3.354 -6.801 1.00 0.00 C ATOM 259 CG LYS A 21 9.791 3.718 -7.630 1.00 0.00 C ATOM 260 CD LYS A 21 11.066 3.533 -6.792 1.00 0.00 C ATOM 261 CE LYS A 21 11.083 4.522 -5.614 1.00 0.00 C ATOM 262 NZ LYS A 21 12.494 4.798 -5.219 1.00 0.00 N ATOM 0 H LYS A 21 6.414 2.048 -6.558 1.00 0.00 H new ATOM 0 HA LYS A 21 9.176 1.316 -7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.646 3.600 -7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.526 3.949 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.839 3.091 -8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.719 4.751 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.117 2.511 -6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.945 3.688 -7.417 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.585 5.449 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.532 4.108 -4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.507 5.467 -4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.955 3.910 -4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.006 5.210 -6.025 1.00 0.00 H new ATOM 276 N TYR A 22 8.399 2.136 -4.050 1.00 0.00 N ATOM 277 CA TYR A 22 8.833 2.003 -2.627 1.00 0.00 C ATOM 278 C TYR A 22 8.810 0.525 -2.200 1.00 0.00 C ATOM 279 O TYR A 22 9.807 -0.040 -1.795 1.00 0.00 O ATOM 280 CB TYR A 22 7.818 2.798 -1.794 1.00 0.00 C ATOM 281 CG TYR A 22 8.433 3.365 -0.536 1.00 0.00 C ATOM 282 CD1 TYR A 22 9.090 4.598 -0.574 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.298 2.679 0.673 1.00 0.00 C ATOM 284 CE1 TYR A 22 9.621 5.145 0.601 1.00 0.00 C ATOM 285 CE2 TYR A 22 8.820 3.223 1.849 1.00 0.00 C ATOM 286 CZ TYR A 22 9.482 4.458 1.815 1.00 0.00 C ATOM 287 OH TYR A 22 9.997 4.998 2.976 1.00 0.00 O ATOM 0 H TYR A 22 7.525 2.647 -4.179 1.00 0.00 H new ATOM 0 HA TYR A 22 9.848 2.374 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.413 3.611 -2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.982 2.151 -1.528 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.188 5.129 -1.509 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.789 1.727 0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.136 6.094 0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.714 2.692 2.784 1.00 0.00 H new ATOM 0 HH TYR A 22 9.699 4.467 3.744 1.00 0.00 H new ATOM 297 N PHE A 23 7.662 -0.086 -2.293 1.00 0.00 N ATOM 298 CA PHE A 23 7.498 -1.518 -1.908 1.00 0.00 C ATOM 299 C PHE A 23 7.626 -2.395 -3.154 1.00 0.00 C ATOM 300 O PHE A 23 6.667 -2.986 -3.591 1.00 0.00 O ATOM 301 CB PHE A 23 6.104 -1.713 -1.291 1.00 0.00 C ATOM 302 CG PHE A 23 6.105 -1.238 0.143 1.00 0.00 C ATOM 303 CD1 PHE A 23 6.436 -2.130 1.166 1.00 0.00 C ATOM 304 CD2 PHE A 23 5.777 0.089 0.447 1.00 0.00 C ATOM 305 CE1 PHE A 23 6.441 -1.700 2.496 1.00 0.00 C ATOM 306 CE2 PHE A 23 5.781 0.523 1.779 1.00 0.00 C ATOM 307 CZ PHE A 23 6.114 -0.372 2.805 1.00 0.00 C ATOM 0 H PHE A 23 6.808 0.359 -2.629 1.00 0.00 H new ATOM 0 HA PHE A 23 8.265 -1.797 -1.186 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.362 -1.159 -1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.821 -2.765 -1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.688 -3.153 0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.521 0.777 -0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.697 -2.391 3.286 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.528 1.546 2.015 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.119 -0.039 3.832 1.00 0.00 H new ATOM 317 N ARG A 24 8.791 -2.457 -3.737 1.00 0.00 N ATOM 318 CA ARG A 24 8.989 -3.282 -4.976 1.00 0.00 C ATOM 319 C ARG A 24 8.236 -4.607 -4.889 1.00 0.00 C ATOM 320 O ARG A 24 8.777 -5.624 -4.505 1.00 0.00 O ATOM 321 CB ARG A 24 10.481 -3.567 -5.188 1.00 0.00 C ATOM 322 CG ARG A 24 11.226 -2.276 -5.623 1.00 0.00 C ATOM 323 CD ARG A 24 11.898 -1.617 -4.411 1.00 0.00 C ATOM 324 NE ARG A 24 13.208 -2.282 -4.161 1.00 0.00 N ATOM 325 CZ ARG A 24 14.078 -1.738 -3.355 1.00 0.00 C ATOM 326 NH1 ARG A 24 13.805 -0.608 -2.763 1.00 0.00 N ATOM 327 NH2 ARG A 24 15.222 -2.328 -3.139 1.00 0.00 N ATOM 0 H ARG A 24 9.625 -1.969 -3.410 1.00 0.00 H new ATOM 0 HA ARG A 24 8.596 -2.711 -5.817 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.918 -3.953 -4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.605 -4.339 -5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.975 -2.517 -6.377 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.524 -1.580 -6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.045 -0.553 -4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.258 -1.703 -3.533 1.00 0.00 H new ATOM 0 HE ARG A 24 13.425 -3.166 -4.622 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.910 -0.148 -2.930 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.487 -0.184 -2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.435 -3.213 -3.600 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.903 -1.904 -2.509 1.00 0.00 H new ATOM 341 N ILE A 25 6.991 -4.592 -5.279 1.00 0.00 N ATOM 342 CA ILE A 25 6.157 -5.833 -5.269 1.00 0.00 C ATOM 343 C ILE A 25 5.349 -5.858 -6.580 1.00 0.00 C ATOM 344 O ILE A 25 5.313 -4.886 -7.310 1.00 0.00 O ATOM 345 CB ILE A 25 5.227 -5.812 -4.008 1.00 0.00 C ATOM 346 CG1 ILE A 25 5.400 -7.104 -3.174 1.00 0.00 C ATOM 347 CG2 ILE A 25 3.744 -5.658 -4.390 1.00 0.00 C ATOM 348 CD1 ILE A 25 6.644 -6.988 -2.283 1.00 0.00 C ATOM 0 H ILE A 25 6.506 -3.758 -5.610 1.00 0.00 H new ATOM 0 HA ILE A 25 6.767 -6.734 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 25 5.525 -4.948 -3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.516 -7.271 -2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.495 -7.965 -3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.135 -5.648 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.603 -4.723 -4.933 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.442 -6.493 -5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.760 -7.901 -1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.526 -6.842 -2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.531 -6.138 -1.610 1.00 0.00 H new ATOM 360 N GLY A 26 4.702 -6.948 -6.883 1.00 0.00 N ATOM 361 CA GLY A 26 3.903 -7.009 -8.141 1.00 0.00 C ATOM 362 C GLY A 26 2.810 -5.932 -8.115 1.00 0.00 C ATOM 363 O GLY A 26 1.978 -5.898 -7.232 1.00 0.00 O ATOM 0 H GLY A 26 4.691 -7.797 -6.318 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.553 -6.860 -9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.452 -7.995 -8.249 1.00 0.00 H new ATOM 367 N GLU A 27 2.802 -5.053 -9.078 1.00 0.00 N ATOM 368 CA GLU A 27 1.756 -3.988 -9.107 1.00 0.00 C ATOM 369 C GLU A 27 0.369 -4.638 -9.007 1.00 0.00 C ATOM 370 O GLU A 27 -0.391 -4.380 -8.094 1.00 0.00 O ATOM 371 CB GLU A 27 1.863 -3.206 -10.427 1.00 0.00 C ATOM 372 CG GLU A 27 2.964 -2.144 -10.316 1.00 0.00 C ATOM 373 CD GLU A 27 3.370 -1.671 -11.715 1.00 0.00 C ATOM 374 OE1 GLU A 27 2.496 -1.245 -12.452 1.00 0.00 O ATOM 375 OE2 GLU A 27 4.548 -1.739 -12.023 1.00 0.00 O ATOM 0 H GLU A 27 3.473 -5.024 -9.846 1.00 0.00 H new ATOM 0 HA GLU A 27 1.901 -3.307 -8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.085 -3.889 -11.247 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.909 -2.731 -10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.609 -1.300 -9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.829 -2.556 -9.796 1.00 0.00 H new ATOM 382 N ASN A 28 0.037 -5.474 -9.949 1.00 0.00 N ATOM 383 CA ASN A 28 -1.296 -6.139 -9.930 1.00 0.00 C ATOM 384 C ASN A 28 -1.425 -7.019 -8.685 1.00 0.00 C ATOM 385 O ASN A 28 -2.515 -7.334 -8.250 1.00 0.00 O ATOM 386 CB ASN A 28 -1.441 -7.004 -11.182 1.00 0.00 C ATOM 387 CG ASN A 28 -0.137 -7.763 -11.430 1.00 0.00 C ATOM 388 OD1 ASN A 28 0.859 -7.154 -12.012 1.00 0.00 O flip ATOM 389 ND2 ASN A 28 -0.022 -8.923 -11.087 1.00 0.00 N flip ATOM 0 H ASN A 28 0.634 -5.727 -10.736 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.078 -5.380 -9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.265 -7.706 -11.058 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.680 -6.380 -12.043 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.800 -9.400 -10.632 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.853 -9.420 -11.254 1.00 0.00 H new ATOM 396 N LYS A 29 -0.330 -7.419 -8.102 1.00 0.00 N ATOM 397 CA LYS A 29 -0.415 -8.275 -6.889 1.00 0.00 C ATOM 398 C LYS A 29 -0.927 -7.422 -5.728 1.00 0.00 C ATOM 399 O LYS A 29 -1.404 -7.926 -4.732 1.00 0.00 O ATOM 400 CB LYS A 29 0.977 -8.841 -6.566 1.00 0.00 C ATOM 401 CG LYS A 29 0.924 -9.746 -5.319 1.00 0.00 C ATOM 402 CD LYS A 29 1.413 -8.969 -4.089 1.00 0.00 C ATOM 403 CE LYS A 29 0.986 -9.704 -2.829 1.00 0.00 C ATOM 404 NZ LYS A 29 1.645 -11.040 -2.787 1.00 0.00 N ATOM 0 H LYS A 29 0.615 -7.191 -8.412 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.098 -9.108 -7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.350 -9.410 -7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.677 -8.023 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.095 -10.097 -5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.545 -10.629 -5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.498 -8.869 -4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.000 -7.960 -4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.258 -9.124 -1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.098 -9.820 -2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.506 -11.466 -1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.226 -11.657 -3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.663 -10.931 -2.971 1.00 0.00 H new ATOM 418 N LEU A 30 -0.831 -6.127 -5.859 1.00 0.00 N ATOM 419 CA LEU A 30 -1.310 -5.215 -4.779 1.00 0.00 C ATOM 420 C LEU A 30 -2.805 -4.957 -4.956 1.00 0.00 C ATOM 421 O LEU A 30 -3.551 -4.894 -3.998 1.00 0.00 O ATOM 422 CB LEU A 30 -0.546 -3.891 -4.865 1.00 0.00 C ATOM 423 CG LEU A 30 0.887 -4.078 -4.350 1.00 0.00 C ATOM 424 CD1 LEU A 30 1.732 -2.860 -4.749 1.00 0.00 C ATOM 425 CD2 LEU A 30 0.900 -4.242 -2.815 1.00 0.00 C ATOM 0 H LEU A 30 -0.438 -5.657 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.137 -5.674 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.528 -3.539 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.056 -3.128 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 30 1.306 -4.981 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.751 -2.989 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.744 -2.765 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.302 -1.959 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.926 -4.373 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.473 -3.353 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.310 -5.116 -2.537 1.00 0.00 H new ATOM 437 N ARG A 31 -3.251 -4.807 -6.170 1.00 0.00 N ATOM 438 CA ARG A 31 -4.700 -4.552 -6.398 1.00 0.00 C ATOM 439 C ARG A 31 -5.501 -5.824 -6.100 1.00 0.00 C ATOM 440 O ARG A 31 -6.650 -5.766 -5.710 1.00 0.00 O ATOM 441 CB ARG A 31 -4.918 -4.138 -7.854 1.00 0.00 C ATOM 442 CG ARG A 31 -6.375 -3.717 -8.053 1.00 0.00 C ATOM 443 CD ARG A 31 -6.515 -2.985 -9.389 1.00 0.00 C ATOM 444 NE ARG A 31 -7.913 -2.489 -9.538 1.00 0.00 N ATOM 445 CZ ARG A 31 -8.196 -1.593 -10.444 1.00 0.00 C ATOM 446 NH1 ARG A 31 -7.257 -1.133 -11.225 1.00 0.00 N ATOM 447 NH2 ARG A 31 -9.420 -1.156 -10.570 1.00 0.00 N ATOM 0 H ARG A 31 -2.678 -4.850 -7.012 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.037 -3.753 -5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.252 -3.315 -8.113 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.674 -4.966 -8.519 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.024 -4.593 -8.036 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.693 -3.069 -7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.815 -2.151 -9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.266 -3.655 -10.211 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.649 -2.850 -8.931 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.300 -1.474 -11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.480 -0.433 -11.933 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.155 -1.515 -9.960 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.641 -0.456 -11.278 1.00 0.00 H new ATOM 461 N ARG A 32 -4.906 -6.973 -6.284 1.00 0.00 N ATOM 462 CA ARG A 32 -5.637 -8.246 -6.014 1.00 0.00 C ATOM 463 C ARG A 32 -5.567 -8.581 -4.521 1.00 0.00 C ATOM 464 O ARG A 32 -6.530 -9.021 -3.931 1.00 0.00 O ATOM 465 CB ARG A 32 -5.000 -9.382 -6.825 1.00 0.00 C ATOM 466 CG ARG A 32 -5.057 -9.059 -8.328 1.00 0.00 C ATOM 467 CD ARG A 32 -6.430 -9.434 -8.904 1.00 0.00 C ATOM 468 NE ARG A 32 -6.712 -10.873 -8.636 1.00 0.00 N ATOM 469 CZ ARG A 32 -7.929 -11.332 -8.749 1.00 0.00 C ATOM 470 NH1 ARG A 32 -8.899 -10.532 -9.101 1.00 0.00 N ATOM 471 NH2 ARG A 32 -8.175 -12.591 -8.511 1.00 0.00 N ATOM 0 H ARG A 32 -3.946 -7.085 -6.609 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.681 -8.129 -6.305 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.965 -9.523 -6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.523 -10.318 -6.627 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.867 -7.997 -8.486 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.274 -9.605 -8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.205 -8.812 -8.456 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.449 -9.244 -9.977 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.954 -11.499 -8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.706 -9.548 -9.288 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.850 -10.891 -9.189 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.417 -13.216 -8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.126 -12.950 -8.599 1.00 0.00 H new ATOM 485 N LEU A 33 -4.438 -8.380 -3.905 1.00 0.00 N ATOM 486 CA LEU A 33 -4.316 -8.692 -2.455 1.00 0.00 C ATOM 487 C LEU A 33 -5.306 -7.834 -1.662 1.00 0.00 C ATOM 488 O LEU A 33 -5.724 -8.188 -0.577 1.00 0.00 O ATOM 489 CB LEU A 33 -2.887 -8.374 -2.006 1.00 0.00 C ATOM 490 CG LEU A 33 -2.630 -8.934 -0.593 1.00 0.00 C ATOM 491 CD1 LEU A 33 -2.192 -10.408 -0.677 1.00 0.00 C ATOM 492 CD2 LEU A 33 -1.527 -8.109 0.087 1.00 0.00 C ATOM 0 H LEU A 33 -3.593 -8.013 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.537 -9.745 -2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.174 -8.804 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.729 -7.296 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.550 -8.871 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.013 -10.792 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.977 -10.994 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.275 -10.482 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.343 -8.502 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.612 -8.170 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.843 -7.068 0.159 1.00 0.00 H new ATOM 504 N ALA A 34 -5.678 -6.705 -2.198 1.00 0.00 N ATOM 505 CA ALA A 34 -6.638 -5.805 -1.489 1.00 0.00 C ATOM 506 C ALA A 34 -8.075 -6.159 -1.881 1.00 0.00 C ATOM 507 O ALA A 34 -8.887 -6.513 -1.050 1.00 0.00 O ATOM 508 CB ALA A 34 -6.353 -4.364 -1.905 1.00 0.00 C ATOM 0 H ALA A 34 -5.357 -6.362 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.520 -5.924 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.046 -3.694 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.330 -4.103 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.479 -4.265 -2.983 1.00 0.00 H new ATOM 514 N GLU A 35 -8.389 -6.044 -3.142 1.00 0.00 N ATOM 515 CA GLU A 35 -9.770 -6.349 -3.624 1.00 0.00 C ATOM 516 C GLU A 35 -10.324 -7.604 -2.928 1.00 0.00 C ATOM 517 O GLU A 35 -11.511 -7.713 -2.691 1.00 0.00 O ATOM 518 CB GLU A 35 -9.720 -6.570 -5.145 1.00 0.00 C ATOM 519 CG GLU A 35 -9.831 -5.227 -5.876 1.00 0.00 C ATOM 520 CD GLU A 35 -9.652 -5.450 -7.379 1.00 0.00 C ATOM 521 OE1 GLU A 35 -9.416 -6.583 -7.765 1.00 0.00 O ATOM 522 OE2 GLU A 35 -9.755 -4.485 -8.118 1.00 0.00 O ATOM 0 H GLU A 35 -7.739 -5.748 -3.870 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.429 -5.514 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.788 -7.066 -5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.533 -7.228 -5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.801 -4.772 -5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.073 -4.536 -5.507 1.00 0.00 H new ATOM 529 N GLU A 36 -9.486 -8.548 -2.599 1.00 0.00 N ATOM 530 CA GLU A 36 -9.990 -9.784 -1.921 1.00 0.00 C ATOM 531 C GLU A 36 -10.121 -9.514 -0.431 1.00 0.00 C ATOM 532 O GLU A 36 -11.099 -9.866 0.199 1.00 0.00 O ATOM 533 CB GLU A 36 -9.004 -10.932 -2.131 1.00 0.00 C ATOM 534 CG GLU A 36 -8.752 -11.116 -3.624 1.00 0.00 C ATOM 535 CD GLU A 36 -7.554 -12.044 -3.830 1.00 0.00 C ATOM 536 OE1 GLU A 36 -7.508 -13.074 -3.179 1.00 0.00 O ATOM 537 OE2 GLU A 36 -6.702 -11.708 -4.636 1.00 0.00 O ATOM 0 H GLU A 36 -8.480 -8.521 -2.767 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.958 -10.056 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.067 -10.720 -1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.402 -11.851 -1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.637 -11.535 -4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.562 -10.151 -4.093 1.00 0.00 H new ATOM 544 N ASN A 37 -9.134 -8.887 0.135 1.00 0.00 N ATOM 545 CA ASN A 37 -9.171 -8.576 1.597 1.00 0.00 C ATOM 546 C ASN A 37 -9.627 -7.129 1.793 1.00 0.00 C ATOM 547 O ASN A 37 -9.005 -6.359 2.495 1.00 0.00 O ATOM 548 CB ASN A 37 -7.772 -8.755 2.187 1.00 0.00 C ATOM 549 CG ASN A 37 -7.374 -10.230 2.107 1.00 0.00 C ATOM 550 OD1 ASN A 37 -8.165 -11.102 2.408 1.00 0.00 O ATOM 551 ND2 ASN A 37 -6.173 -10.550 1.710 1.00 0.00 N ATOM 0 H ASN A 37 -8.294 -8.572 -0.351 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.866 -9.249 2.099 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.054 -8.143 1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.756 -8.418 3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.899 -11.531 1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.508 -9.819 1.457 1.00 0.00 H new ATOM 558 N LYS A 38 -10.714 -6.758 1.171 1.00 0.00 N ATOM 559 CA LYS A 38 -11.227 -5.364 1.312 1.00 0.00 C ATOM 560 C LYS A 38 -11.210 -4.958 2.795 1.00 0.00 C ATOM 561 O LYS A 38 -11.165 -3.791 3.129 1.00 0.00 O ATOM 562 CB LYS A 38 -12.668 -5.305 0.753 1.00 0.00 C ATOM 563 CG LYS A 38 -12.885 -4.017 -0.063 1.00 0.00 C ATOM 564 CD LYS A 38 -12.315 -4.182 -1.479 1.00 0.00 C ATOM 565 CE LYS A 38 -12.747 -2.996 -2.342 1.00 0.00 C ATOM 566 NZ LYS A 38 -14.196 -3.122 -2.666 1.00 0.00 N ATOM 0 H LYS A 38 -11.271 -7.363 0.568 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.595 -4.672 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.855 -6.175 0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.384 -5.346 1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.949 -3.787 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.402 -3.177 0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.227 -4.241 -1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.669 -5.114 -1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.561 -2.061 -1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.159 -2.966 -3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.417 -2.540 -3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.421 -4.117 -2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.762 -2.797 -1.856 1.00 0.00 H new ATOM 580 N ASN A 39 -11.256 -5.917 3.684 1.00 0.00 N ATOM 581 CA ASN A 39 -11.255 -5.601 5.142 1.00 0.00 C ATOM 582 C ASN A 39 -9.830 -5.708 5.689 1.00 0.00 C ATOM 583 O ASN A 39 -9.615 -5.769 6.883 1.00 0.00 O ATOM 584 CB ASN A 39 -12.151 -6.605 5.865 1.00 0.00 C ATOM 585 CG ASN A 39 -13.608 -6.368 5.466 1.00 0.00 C ATOM 586 OD1 ASN A 39 -14.327 -5.658 6.141 1.00 0.00 O ATOM 587 ND2 ASN A 39 -14.075 -6.936 4.389 1.00 0.00 N ATOM 0 H ASN A 39 -11.294 -6.911 3.460 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.626 -4.588 5.300 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.854 -7.622 5.611 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.037 -6.500 6.944 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -15.045 -6.785 4.112 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.470 -7.532 3.823 1.00 0.00 H new ATOM 594 N ALA A 40 -8.856 -5.729 4.824 1.00 0.00 N ATOM 595 CA ALA A 40 -7.446 -5.829 5.291 1.00 0.00 C ATOM 596 C ALA A 40 -7.158 -4.688 6.277 1.00 0.00 C ATOM 597 O ALA A 40 -7.672 -3.598 6.149 1.00 0.00 O ATOM 598 CB ALA A 40 -6.504 -5.729 4.077 1.00 0.00 C ATOM 0 H ALA A 40 -8.975 -5.681 3.812 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.285 -6.783 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.469 -5.802 4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.718 -6.541 3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.657 -4.773 3.576 1.00 0.00 H new ATOM 604 N ASN A 41 -6.340 -4.931 7.258 1.00 0.00 N ATOM 605 CA ASN A 41 -6.014 -3.854 8.233 1.00 0.00 C ATOM 606 C ASN A 41 -4.970 -2.909 7.624 1.00 0.00 C ATOM 607 O ASN A 41 -4.626 -1.899 8.205 1.00 0.00 O ATOM 608 CB ASN A 41 -5.452 -4.477 9.514 1.00 0.00 C ATOM 609 CG ASN A 41 -5.149 -3.372 10.528 1.00 0.00 C ATOM 610 OD1 ASN A 41 -6.051 -2.795 11.103 1.00 0.00 O ATOM 611 ND2 ASN A 41 -3.908 -3.051 10.774 1.00 0.00 N ATOM 0 H ASN A 41 -5.883 -5.827 7.429 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.918 -3.293 8.468 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.169 -5.183 9.933 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.545 -5.039 9.290 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.695 -2.316 11.449 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.151 -3.535 10.292 1.00 0.00 H new ATOM 618 N TRP A 42 -4.439 -3.248 6.468 1.00 0.00 N ATOM 619 CA TRP A 42 -3.382 -2.393 5.827 1.00 0.00 C ATOM 620 C TRP A 42 -3.903 -1.696 4.559 1.00 0.00 C ATOM 621 O TRP A 42 -3.310 -0.743 4.096 1.00 0.00 O ATOM 622 CB TRP A 42 -2.195 -3.284 5.449 1.00 0.00 C ATOM 623 CG TRP A 42 -2.699 -4.504 4.749 1.00 0.00 C ATOM 624 CD1 TRP A 42 -2.916 -5.702 5.339 1.00 0.00 C ATOM 625 CD2 TRP A 42 -3.054 -4.667 3.346 1.00 0.00 C ATOM 626 NE1 TRP A 42 -3.385 -6.590 4.387 1.00 0.00 N ATOM 627 CE2 TRP A 42 -3.487 -5.999 3.143 1.00 0.00 C ATOM 628 CE3 TRP A 42 -3.045 -3.797 2.240 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -3.896 -6.453 1.891 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.455 -4.251 0.976 1.00 0.00 C ATOM 631 CH2 TRP A 42 -3.881 -5.575 0.802 1.00 0.00 C ATOM 0 H TRP A 42 -4.693 -4.083 5.940 1.00 0.00 H new ATOM 0 HA TRP A 42 -3.087 -1.623 6.539 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.506 -2.738 4.804 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.638 -3.567 6.342 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.750 -5.928 6.382 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.626 -7.562 4.580 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.721 -2.774 2.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.222 -7.475 1.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.442 -3.576 0.133 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.197 -5.917 -0.172 1.00 0.00 H new ATOM 642 N LEU A 43 -4.980 -2.158 3.971 1.00 0.00 N ATOM 643 CA LEU A 43 -5.482 -1.507 2.722 1.00 0.00 C ATOM 644 C LEU A 43 -6.486 -0.403 3.077 1.00 0.00 C ATOM 645 O LEU A 43 -7.040 -0.376 4.158 1.00 0.00 O ATOM 646 CB LEU A 43 -6.115 -2.605 1.829 1.00 0.00 C ATOM 647 CG LEU A 43 -7.663 -2.688 1.955 1.00 0.00 C ATOM 648 CD1 LEU A 43 -8.122 -2.722 3.436 1.00 0.00 C ATOM 649 CD2 LEU A 43 -8.345 -1.517 1.190 1.00 0.00 C ATOM 0 H LEU A 43 -5.529 -2.952 4.300 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.669 -1.033 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.852 -2.413 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.684 -3.571 2.093 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.976 -3.627 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.210 -2.780 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.693 -3.593 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.787 -1.816 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.427 -1.597 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.010 -0.567 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.076 -1.566 0.135 1.00 0.00 H new ATOM 661 N ILE A 44 -6.703 0.526 2.180 1.00 0.00 N ATOM 662 CA ILE A 44 -7.648 1.645 2.454 1.00 0.00 C ATOM 663 C ILE A 44 -8.439 1.947 1.173 1.00 0.00 C ATOM 664 O ILE A 44 -7.906 1.919 0.084 1.00 0.00 O ATOM 665 CB ILE A 44 -6.814 2.871 2.893 1.00 0.00 C ATOM 666 CG1 ILE A 44 -6.672 2.885 4.425 1.00 0.00 C ATOM 667 CG2 ILE A 44 -7.466 4.181 2.433 1.00 0.00 C ATOM 668 CD1 ILE A 44 -5.474 3.747 4.817 1.00 0.00 C ATOM 0 H ILE A 44 -6.260 0.555 1.262 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.355 1.389 3.243 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.831 2.792 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.581 3.277 4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.540 1.869 4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.856 5.024 2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.544 4.186 1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.461 4.265 2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.373 3.757 5.902 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.568 3.335 4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.625 4.765 4.457 1.00 0.00 H new ATOM 680 N MET A 45 -9.708 2.240 1.309 1.00 0.00 N ATOM 681 CA MET A 45 -10.561 2.554 0.118 1.00 0.00 C ATOM 682 C MET A 45 -10.916 4.046 0.142 1.00 0.00 C ATOM 683 O MET A 45 -11.653 4.505 0.993 1.00 0.00 O ATOM 684 CB MET A 45 -11.853 1.707 0.193 1.00 0.00 C ATOM 685 CG MET A 45 -11.720 0.392 -0.620 1.00 0.00 C ATOM 686 SD MET A 45 -12.579 0.577 -2.215 1.00 0.00 S ATOM 687 CE MET A 45 -11.143 0.458 -3.309 1.00 0.00 C ATOM 0 H MET A 45 -10.196 2.276 2.204 1.00 0.00 H new ATOM 0 HA MET A 45 -10.027 2.323 -0.804 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.075 1.471 1.234 1.00 0.00 H new ATOM 0 HB3 MET A 45 -12.693 2.288 -0.188 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.668 0.159 -0.786 1.00 0.00 H new ATOM 0 HG3 MET A 45 -12.146 -0.440 -0.059 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.393 0.875 -4.284 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.311 1.015 -2.879 1.00 0.00 H new ATOM 0 HE3 MET A 45 -10.859 -0.588 -3.424 1.00 0.00 H new ATOM 697 N ASN A 46 -10.405 4.798 -0.798 1.00 0.00 N ATOM 698 CA ASN A 46 -10.707 6.264 -0.865 1.00 0.00 C ATOM 699 C ASN A 46 -11.578 6.527 -2.093 1.00 0.00 C ATOM 700 O ASN A 46 -11.116 7.022 -3.101 1.00 0.00 O ATOM 701 CB ASN A 46 -9.398 7.047 -0.992 1.00 0.00 C ATOM 702 CG ASN A 46 -8.692 7.084 0.365 1.00 0.00 C ATOM 703 OD1 ASN A 46 -9.278 7.468 1.358 1.00 0.00 O ATOM 704 ND2 ASN A 46 -7.448 6.699 0.450 1.00 0.00 N ATOM 0 H ASN A 46 -9.784 4.457 -1.532 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.229 6.580 0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.753 6.580 -1.737 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.600 8.061 -1.336 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.968 6.720 1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.956 6.377 -0.383 1.00 0.00 H new ATOM 711 N GLY A 47 -12.835 6.185 -2.019 1.00 0.00 N ATOM 712 CA GLY A 47 -13.737 6.398 -3.185 1.00 0.00 C ATOM 713 C GLY A 47 -13.559 5.247 -4.163 1.00 0.00 C ATOM 714 O GLY A 47 -14.390 4.367 -4.266 1.00 0.00 O ATOM 0 H GLY A 47 -13.276 5.767 -1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.774 6.454 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.506 7.345 -3.672 1.00 0.00 H new ATOM 718 N ASN A 48 -12.478 5.248 -4.891 1.00 0.00 N ATOM 719 CA ASN A 48 -12.238 4.160 -5.877 1.00 0.00 C ATOM 720 C ASN A 48 -10.731 3.930 -6.023 1.00 0.00 C ATOM 721 O ASN A 48 -10.280 3.267 -6.936 1.00 0.00 O ATOM 722 CB ASN A 48 -12.842 4.588 -7.216 1.00 0.00 C ATOM 723 CG ASN A 48 -13.091 3.361 -8.099 1.00 0.00 C ATOM 724 OD1 ASN A 48 -14.172 3.187 -8.626 1.00 0.00 O ATOM 725 ND2 ASN A 48 -12.130 2.498 -8.285 1.00 0.00 N ATOM 0 H ASN A 48 -11.748 5.959 -4.845 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.700 3.230 -5.545 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.778 5.120 -7.048 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.169 5.280 -7.723 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.287 1.679 -8.872 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.222 2.643 -7.843 1.00 0.00 H new ATOM 732 N ARG A 49 -9.951 4.489 -5.131 1.00 0.00 N ATOM 733 CA ARG A 49 -8.461 4.333 -5.201 1.00 0.00 C ATOM 734 C ARG A 49 -7.959 3.556 -3.979 1.00 0.00 C ATOM 735 O ARG A 49 -8.099 3.992 -2.854 1.00 0.00 O ATOM 736 CB ARG A 49 -7.820 5.725 -5.205 1.00 0.00 C ATOM 737 CG ARG A 49 -8.345 6.549 -6.398 1.00 0.00 C ATOM 738 CD ARG A 49 -8.255 8.044 -6.075 1.00 0.00 C ATOM 739 NE ARG A 49 -8.756 8.838 -7.232 1.00 0.00 N ATOM 740 CZ ARG A 49 -9.076 10.093 -7.072 1.00 0.00 C ATOM 741 NH1 ARG A 49 -8.979 10.648 -5.894 1.00 0.00 N ATOM 742 NH2 ARG A 49 -9.500 10.792 -8.089 1.00 0.00 N ATOM 0 H ARG A 49 -10.284 5.053 -4.349 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.194 3.789 -6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.045 6.240 -4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.736 5.634 -5.266 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.762 6.325 -7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.378 6.276 -6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.842 8.270 -5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.223 8.317 -5.854 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.849 8.401 -8.149 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.653 10.101 -5.098 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.229 11.629 -5.770 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.581 10.357 -9.008 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.750 11.773 -7.965 1.00 0.00 H new ATOM 756 N ILE A 50 -7.363 2.413 -4.193 1.00 0.00 N ATOM 757 CA ILE A 50 -6.836 1.614 -3.047 1.00 0.00 C ATOM 758 C ILE A 50 -5.455 2.146 -2.667 1.00 0.00 C ATOM 759 O ILE A 50 -4.663 2.475 -3.528 1.00 0.00 O ATOM 760 CB ILE A 50 -6.716 0.145 -3.463 1.00 0.00 C ATOM 761 CG1 ILE A 50 -8.111 -0.427 -3.698 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.026 -0.653 -2.354 1.00 0.00 C ATOM 763 CD1 ILE A 50 -8.001 -1.791 -4.378 1.00 0.00 C ATOM 0 H ILE A 50 -7.218 1.997 -5.113 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.513 1.696 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.127 0.077 -4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.639 -0.524 -2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.694 0.254 -4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.943 -1.697 -2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.030 -0.246 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.613 -0.585 -1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.999 -2.196 -4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.490 -1.681 -5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.435 -2.471 -3.741 1.00 0.00 H new ATOM 775 N GLN A 51 -5.150 2.234 -1.387 1.00 0.00 N ATOM 776 CA GLN A 51 -3.802 2.746 -0.965 1.00 0.00 C ATOM 777 C GLN A 51 -3.152 1.772 0.025 1.00 0.00 C ATOM 778 O GLN A 51 -3.809 1.152 0.840 1.00 0.00 O ATOM 779 CB GLN A 51 -3.935 4.147 -0.329 1.00 0.00 C ATOM 780 CG GLN A 51 -2.627 4.930 -0.539 1.00 0.00 C ATOM 781 CD GLN A 51 -2.686 6.288 0.167 1.00 0.00 C ATOM 782 OE1 GLN A 51 -1.649 7.091 0.103 1.00 0.00 O flip ATOM 783 NE2 GLN A 51 -3.678 6.625 0.781 1.00 0.00 N flip ATOM 0 H GLN A 51 -5.773 1.975 -0.622 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.167 2.824 -1.847 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.770 4.685 -0.778 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.150 4.056 0.736 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.786 4.352 -0.155 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.453 5.077 -1.605 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.483 6.001 0.831 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.706 7.532 1.247 1.00 0.00 H new ATOM 792 N ILE A 52 -1.854 1.638 -0.064 1.00 0.00 N ATOM 793 CA ILE A 52 -1.101 0.714 0.834 1.00 0.00 C ATOM 794 C ILE A 52 -0.566 1.485 2.042 1.00 0.00 C ATOM 795 O ILE A 52 -0.123 2.605 1.921 1.00 0.00 O ATOM 796 CB ILE A 52 0.099 0.148 0.070 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.360 -0.435 -1.275 1.00 0.00 C ATOM 798 CG2 ILE A 52 0.783 -0.932 0.910 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.483 -1.453 -1.061 1.00 0.00 C ATOM 0 H ILE A 52 -1.273 2.141 -0.735 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.767 -0.084 1.163 1.00 0.00 H new ATOM 0 HB ILE A 52 0.811 0.950 -0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.707 0.367 -1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.481 -0.912 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.636 -1.332 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.125 -0.499 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.075 -1.735 1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.797 -1.856 -2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.123 -2.264 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.330 -0.965 -0.579 1.00 0.00 H new ATOM 811 N LYS A 53 -0.574 0.889 3.202 1.00 0.00 N ATOM 812 CA LYS A 53 -0.030 1.594 4.399 1.00 0.00 C ATOM 813 C LYS A 53 1.479 1.379 4.450 1.00 0.00 C ATOM 814 O LYS A 53 1.976 0.345 4.061 1.00 0.00 O ATOM 815 CB LYS A 53 -0.682 1.034 5.668 1.00 0.00 C ATOM 816 CG LYS A 53 -0.392 1.959 6.858 1.00 0.00 C ATOM 817 CD LYS A 53 -1.309 1.594 8.030 1.00 0.00 C ATOM 818 CE LYS A 53 -0.935 0.213 8.571 1.00 0.00 C ATOM 819 NZ LYS A 53 -1.560 0.020 9.910 1.00 0.00 N ATOM 0 H LYS A 53 -0.931 -0.051 3.374 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.247 2.660 4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.758 0.941 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.300 0.034 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.652 1.866 7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.550 2.998 6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.220 2.340 8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.349 1.597 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.274 -0.563 7.884 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.148 0.121 8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.307 -0.919 10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.216 0.753 10.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.594 0.091 9.824 1.00 0.00 H new ATOM 833 N ARG A 54 2.215 2.352 4.920 1.00 0.00 N ATOM 834 CA ARG A 54 3.701 2.207 4.995 1.00 0.00 C ATOM 835 C ARG A 54 4.098 1.864 6.436 1.00 0.00 C ATOM 836 O ARG A 54 4.910 1.005 6.677 1.00 0.00 O ATOM 837 CB ARG A 54 4.369 3.534 4.581 1.00 0.00 C ATOM 838 CG ARG A 54 3.458 4.713 4.953 1.00 0.00 C ATOM 839 CD ARG A 54 4.275 6.007 5.027 1.00 0.00 C ATOM 840 NE ARG A 54 5.259 6.049 3.911 1.00 0.00 N ATOM 841 CZ ARG A 54 5.819 7.181 3.580 1.00 0.00 C ATOM 842 NH1 ARG A 54 5.513 8.272 4.226 1.00 0.00 N ATOM 843 NH2 ARG A 54 6.684 7.222 2.604 1.00 0.00 N ATOM 0 H ARG A 54 1.851 3.244 5.256 1.00 0.00 H new ATOM 0 HA ARG A 54 4.028 1.413 4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.334 3.637 5.078 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.562 3.536 3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.664 4.817 4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.977 4.522 5.912 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.612 6.870 4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.794 6.065 5.984 1.00 0.00 H new ATOM 0 HE ARG A 54 5.495 5.195 3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.837 8.240 4.989 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.950 9.157 3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.923 6.369 2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.121 8.107 2.346 1.00 0.00 H new ATOM 857 N LYS A 55 3.542 2.552 7.390 1.00 0.00 N ATOM 858 CA LYS A 55 3.897 2.300 8.817 1.00 0.00 C ATOM 859 C LYS A 55 4.007 0.796 9.113 1.00 0.00 C ATOM 860 O LYS A 55 5.073 0.297 9.407 1.00 0.00 O ATOM 861 CB LYS A 55 2.814 2.921 9.706 1.00 0.00 C ATOM 862 CG LYS A 55 2.729 4.443 9.447 1.00 0.00 C ATOM 863 CD LYS A 55 1.287 4.934 9.653 1.00 0.00 C ATOM 864 CE LYS A 55 1.279 6.452 9.855 1.00 0.00 C ATOM 865 NZ LYS A 55 -0.096 6.976 9.616 1.00 0.00 N ATOM 0 H LYS A 55 2.849 3.286 7.244 1.00 0.00 H new ATOM 0 HA LYS A 55 4.868 2.750 9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.851 2.454 9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.041 2.734 10.755 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.402 4.973 10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.056 4.666 8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.676 4.670 8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.845 4.441 10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.603 6.697 10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.984 6.925 9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.038 7.943 9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.587 6.365 8.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.624 6.987 10.512 1.00 0.00 H new ATOM 879 N GLN A 56 2.926 0.068 9.052 1.00 0.00 N ATOM 880 CA GLN A 56 3.009 -1.393 9.354 1.00 0.00 C ATOM 881 C GLN A 56 3.743 -2.116 8.225 1.00 0.00 C ATOM 882 O GLN A 56 4.758 -2.748 8.438 1.00 0.00 O ATOM 883 CB GLN A 56 1.599 -1.974 9.504 1.00 0.00 C ATOM 884 CG GLN A 56 1.685 -3.406 10.040 1.00 0.00 C ATOM 885 CD GLN A 56 2.177 -3.382 11.489 1.00 0.00 C ATOM 886 OE1 GLN A 56 3.232 -3.902 11.792 1.00 0.00 O ATOM 887 NE2 GLN A 56 1.452 -2.796 12.402 1.00 0.00 N ATOM 0 H GLN A 56 1.998 0.414 8.809 1.00 0.00 H new ATOM 0 HA GLN A 56 3.557 -1.532 10.286 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.011 -1.356 10.183 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.088 -1.966 8.541 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.708 -3.885 9.985 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.364 -3.996 9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.566 -2.359 12.147 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.771 -2.774 13.371 1.00 0.00 H new ATOM 896 N PHE A 57 3.233 -2.036 7.028 1.00 0.00 N ATOM 897 CA PHE A 57 3.893 -2.725 5.880 1.00 0.00 C ATOM 898 C PHE A 57 5.413 -2.466 5.923 1.00 0.00 C ATOM 899 O PHE A 57 6.209 -3.379 5.848 1.00 0.00 O ATOM 900 CB PHE A 57 3.277 -2.190 4.568 1.00 0.00 C ATOM 901 CG PHE A 57 3.205 -3.287 3.515 1.00 0.00 C ATOM 902 CD1 PHE A 57 4.300 -4.134 3.296 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.039 -3.450 2.755 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.232 -5.137 2.325 1.00 0.00 C ATOM 905 CE2 PHE A 57 1.971 -4.455 1.781 1.00 0.00 C ATOM 906 CZ PHE A 57 3.067 -5.298 1.565 1.00 0.00 C ATOM 0 H PHE A 57 2.384 -1.522 6.793 1.00 0.00 H new ATOM 0 HA PHE A 57 3.733 -3.802 5.938 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.278 -1.801 4.763 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.875 -1.359 4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.200 -4.011 3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.192 -2.800 2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.078 -5.788 2.161 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.072 -4.579 1.196 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.014 -6.072 0.813 1.00 0.00 H new ATOM 916 N GLU A 58 5.820 -1.234 6.043 1.00 0.00 N ATOM 917 CA GLU A 58 7.284 -0.928 6.086 1.00 0.00 C ATOM 918 C GLU A 58 7.973 -1.773 7.165 1.00 0.00 C ATOM 919 O GLU A 58 9.099 -2.201 7.002 1.00 0.00 O ATOM 920 CB GLU A 58 7.492 0.556 6.406 1.00 0.00 C ATOM 921 CG GLU A 58 8.984 0.879 6.402 1.00 0.00 C ATOM 922 CD GLU A 58 9.177 2.394 6.484 1.00 0.00 C ATOM 923 OE1 GLU A 58 8.946 3.055 5.485 1.00 0.00 O ATOM 924 OE2 GLU A 58 9.551 2.867 7.544 1.00 0.00 O ATOM 0 H GLU A 58 5.205 -0.423 6.113 1.00 0.00 H new ATOM 0 HA GLU A 58 7.717 -1.163 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.975 1.172 5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.062 0.792 7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.475 0.393 7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.449 0.491 5.496 1.00 0.00 H new ATOM 931 N LYS A 59 7.318 -2.010 8.270 1.00 0.00 N ATOM 932 CA LYS A 59 7.963 -2.813 9.352 1.00 0.00 C ATOM 933 C LYS A 59 8.044 -4.282 8.929 1.00 0.00 C ATOM 934 O LYS A 59 8.590 -5.097 9.646 1.00 0.00 O ATOM 935 CB LYS A 59 7.127 -2.698 10.649 1.00 0.00 C ATOM 936 CG LYS A 59 7.802 -1.750 11.645 1.00 0.00 C ATOM 937 CD LYS A 59 7.951 -0.346 11.017 1.00 0.00 C ATOM 938 CE LYS A 59 7.845 0.734 12.104 1.00 0.00 C ATOM 939 NZ LYS A 59 6.417 1.125 12.276 1.00 0.00 N ATOM 0 H LYS A 59 6.372 -1.686 8.471 1.00 0.00 H new ATOM 0 HA LYS A 59 8.969 -2.432 9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.127 -2.333 10.412 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.008 -3.683 11.100 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.211 -1.688 12.559 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.781 -2.139 11.924 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.912 -0.267 10.508 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.178 -0.192 10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.247 0.359 13.045 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.441 1.604 11.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.361 2.132 12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.903 0.962 11.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.990 0.554 13.033 1.00 0.00 H new ATOM 953 N ILE A 60 7.505 -4.632 7.788 1.00 0.00 N ATOM 954 CA ILE A 60 7.555 -6.062 7.345 1.00 0.00 C ATOM 955 C ILE A 60 7.994 -6.162 5.880 1.00 0.00 C ATOM 956 O ILE A 60 7.566 -7.036 5.165 1.00 0.00 O ATOM 957 CB ILE A 60 6.176 -6.707 7.509 1.00 0.00 C ATOM 958 CG1 ILE A 60 5.100 -5.797 6.917 1.00 0.00 C ATOM 959 CG2 ILE A 60 5.889 -6.926 8.996 1.00 0.00 C ATOM 960 CD1 ILE A 60 3.748 -6.514 6.956 1.00 0.00 C ATOM 0 H ILE A 60 7.034 -3.994 7.146 1.00 0.00 H new ATOM 0 HA ILE A 60 8.281 -6.587 7.965 1.00 0.00 H new ATOM 0 HB ILE A 60 6.166 -7.663 6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.046 -4.865 7.480 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.355 -5.534 5.890 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.907 -7.385 9.113 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.649 -7.582 9.421 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.906 -5.968 9.515 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.980 -5.866 6.534 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.807 -7.433 6.374 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.493 -6.754 7.988 1.00 0.00 H new ATOM 972 N ILE A 61 8.847 -5.286 5.418 1.00 0.00 N ATOM 973 CA ILE A 61 9.295 -5.376 3.987 1.00 0.00 C ATOM 974 C ILE A 61 10.480 -6.348 3.872 1.00 0.00 C ATOM 975 O ILE A 61 10.486 -7.237 3.045 1.00 0.00 O ATOM 976 CB ILE A 61 9.699 -3.985 3.465 1.00 0.00 C ATOM 977 CG1 ILE A 61 10.335 -4.101 2.069 1.00 0.00 C ATOM 978 CG2 ILE A 61 10.709 -3.335 4.411 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.434 -4.914 1.132 1.00 0.00 C ATOM 0 H ILE A 61 9.251 -4.520 5.957 1.00 0.00 H new ATOM 0 HA ILE A 61 8.469 -5.748 3.381 1.00 0.00 H new ATOM 0 HB ILE A 61 8.800 -3.372 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.498 -3.106 1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.312 -4.578 2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 61 10.985 -2.352 4.029 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.264 -3.228 5.400 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.599 -3.961 4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.901 -4.985 0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.293 -5.915 1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.466 -4.421 1.039 1.00 0.00 H new ATOM 991 N ASP A 62 11.487 -6.187 4.689 1.00 0.00 N ATOM 992 CA ASP A 62 12.669 -7.100 4.611 1.00 0.00 C ATOM 993 C ASP A 62 12.374 -8.409 5.351 1.00 0.00 C ATOM 994 O ASP A 62 13.179 -9.319 5.370 1.00 0.00 O ATOM 995 CB ASP A 62 13.878 -6.416 5.253 1.00 0.00 C ATOM 996 CG ASP A 62 13.533 -6.014 6.689 1.00 0.00 C ATOM 997 OD1 ASP A 62 13.319 -6.903 7.497 1.00 0.00 O ATOM 998 OD2 ASP A 62 13.487 -4.824 6.956 1.00 0.00 O ATOM 0 H ASP A 62 11.544 -5.464 5.407 1.00 0.00 H new ATOM 0 HA ASP A 62 12.880 -7.323 3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.735 -7.089 5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.161 -5.536 4.675 1.00 0.00 H new ATOM 1003 N THR A 63 11.229 -8.504 5.966 1.00 0.00 N ATOM 1004 CA THR A 63 10.867 -9.743 6.720 1.00 0.00 C ATOM 1005 C THR A 63 10.197 -10.740 5.768 1.00 0.00 C ATOM 1006 O THR A 63 10.074 -11.911 6.066 1.00 0.00 O ATOM 1007 CB THR A 63 9.913 -9.336 7.865 1.00 0.00 C ATOM 1008 OG1 THR A 63 10.624 -9.356 9.094 1.00 0.00 O ATOM 1009 CG2 THR A 63 8.689 -10.259 7.979 1.00 0.00 C ATOM 0 H THR A 63 10.520 -7.771 5.980 1.00 0.00 H new ATOM 0 HA THR A 63 11.751 -10.224 7.138 1.00 0.00 H new ATOM 0 HB THR A 63 9.546 -8.335 7.639 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.023 -9.097 9.824 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.056 -9.924 8.800 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.123 -10.229 7.048 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.020 -11.280 8.169 1.00 0.00 H new ATOM 1017 N LEU A 64 9.744 -10.280 4.640 1.00 0.00 N ATOM 1018 CA LEU A 64 9.061 -11.202 3.696 1.00 0.00 C ATOM 1019 C LEU A 64 10.109 -12.089 3.012 1.00 0.00 C ATOM 1020 O LEU A 64 10.228 -13.263 3.303 1.00 0.00 O ATOM 1021 CB LEU A 64 8.282 -10.402 2.631 1.00 0.00 C ATOM 1022 CG LEU A 64 7.759 -9.067 3.193 1.00 0.00 C ATOM 1023 CD1 LEU A 64 7.142 -8.263 2.050 1.00 0.00 C ATOM 1024 CD2 LEU A 64 6.698 -9.312 4.284 1.00 0.00 C ATOM 0 H LEU A 64 9.816 -9.311 4.331 1.00 0.00 H new ATOM 0 HA LEU A 64 8.356 -11.822 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.929 -10.208 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.444 -10.998 2.269 1.00 0.00 H new ATOM 0 HG LEU A 64 8.588 -8.517 3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.767 -7.314 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.899 -8.073 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.319 -8.827 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.342 -8.355 4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.861 -9.867 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.139 -9.887 5.098 1.00 0.00 H new TER 1036 LEU A 64