USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 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 26 SER OG : rot 180:sc= 1.03 USER MOD Set 1.2: A 45 LYS NZ :NH3+ 142:sc= 0.948 (180deg=-0.0321) USER MOD Single : A 1 LEU N :NH3+ -160:sc= -0.0253 (180deg=-0.203) USER MOD Single : A 4 SER OG : rot -75:sc= 0.376! USER MOD Single : A 6 HIS : no HD1:sc= -0.0614 X(o=-0.061,f=-0.00062) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -34:sc= -0.468 USER MOD Single : A 16 GLN : amide:sc= -3.84! C(o=-3.8!,f=-8.4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.1) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0207 USER MOD Single : A 29 TYR OH : rot 180:sc=-0.00179 USER MOD Single : A 31 THR OG1 : rot 135:sc= 0.789 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -36:sc= -3.13 USER MOD Single : A 49 GLN : amide:sc= -0.169 K(o=-0.17,f=-3.7!) USER MOD Single : A 54 LYS NZ :NH3+ 153:sc= -0.0609 (180deg=-0.405) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -159:sc= -6.55! (180deg=-7.54!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 120:sc= -2.35 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.488 -15.877 -10.124 1.00 0.00 N ATOM 2 CA LEU A 1 11.731 -16.859 -11.220 1.00 0.00 C ATOM 3 C LEU A 1 11.750 -18.271 -10.643 1.00 0.00 C ATOM 4 O LEU A 1 12.784 -18.754 -10.183 1.00 0.00 O ATOM 5 CB LEU A 1 13.078 -16.559 -11.883 1.00 0.00 C ATOM 6 CG LEU A 1 12.938 -15.341 -12.796 1.00 0.00 C ATOM 7 CD1 LEU A 1 14.309 -14.691 -12.993 1.00 0.00 C ATOM 8 CD2 LEU A 1 12.383 -15.781 -14.152 1.00 0.00 C ATOM 0 H1 LEU A 1 11.142 -14.984 -10.529 1.00 0.00 H new ATOM 0 H2 LEU A 1 10.777 -16.258 -9.468 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.375 -15.703 -9.610 1.00 0.00 H new ATOM 0 HA LEU A 1 10.936 -16.781 -11.961 1.00 0.00 H new ATOM 0 HB2 LEU A 1 13.836 -16.371 -11.122 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.412 -17.422 -12.459 1.00 0.00 H new ATOM 0 HG LEU A 1 12.257 -14.622 -12.341 1.00 0.00 H new ATOM 0 HD11 LEU A 1 14.210 -13.822 -13.644 1.00 0.00 H new ATOM 0 HD12 LEU A 1 14.705 -14.377 -12.027 1.00 0.00 H new ATOM 0 HD13 LEU A 1 14.990 -15.410 -13.448 1.00 0.00 H new ATOM 0 HD21 LEU A 1 12.283 -14.913 -14.803 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.064 -16.500 -14.608 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.406 -16.244 -14.012 1.00 0.00 H new ATOM 22 N GLY A 2 10.593 -18.924 -10.674 1.00 0.00 N ATOM 23 CA GLY A 2 10.483 -20.283 -10.150 1.00 0.00 C ATOM 24 C GLY A 2 9.046 -20.786 -10.248 1.00 0.00 C ATOM 25 O GLY A 2 8.105 -20.000 -10.358 1.00 0.00 O ATOM 0 H GLY A 2 9.726 -18.541 -11.052 1.00 0.00 H new ATOM 0 HA2 GLY A 2 11.144 -20.947 -10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 2 10.811 -20.305 -9.111 1.00 0.00 H new ATOM 29 N ALA A 3 8.890 -22.106 -10.205 1.00 0.00 N ATOM 30 CA ALA A 3 7.563 -22.708 -10.290 1.00 0.00 C ATOM 31 C ALA A 3 6.819 -22.544 -8.968 1.00 0.00 C ATOM 32 O ALA A 3 7.285 -21.858 -8.061 1.00 0.00 O ATOM 33 CB ALA A 3 7.671 -24.199 -10.618 1.00 0.00 C ATOM 0 H ALA A 3 9.656 -22.773 -10.113 1.00 0.00 H new ATOM 0 HA ALA A 3 7.014 -22.201 -11.083 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.672 -24.632 -10.678 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.179 -24.325 -11.574 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.239 -24.703 -9.836 1.00 0.00 H new ATOM 39 N SER A 4 5.654 -23.186 -8.878 1.00 0.00 N ATOM 40 CA SER A 4 4.823 -23.122 -7.668 1.00 0.00 C ATOM 41 C SER A 4 4.222 -21.726 -7.480 1.00 0.00 C ATOM 42 O SER A 4 3.002 -21.560 -7.495 1.00 0.00 O ATOM 43 CB SER A 4 5.624 -23.538 -6.421 1.00 0.00 C ATOM 44 OG SER A 4 6.306 -22.418 -5.869 1.00 0.00 O ATOM 0 H SER A 4 5.262 -23.757 -9.626 1.00 0.00 H new ATOM 0 HA SER A 4 4.003 -23.829 -7.797 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.952 -23.965 -5.676 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.342 -24.314 -6.685 1.00 0.00 H new ATOM 0 HG SER A 4 7.085 -22.203 -6.424 1.00 0.00 H new ATOM 50 N TRP A 5 5.080 -20.727 -7.306 1.00 0.00 N ATOM 51 CA TRP A 5 4.613 -19.357 -7.118 1.00 0.00 C ATOM 52 C TRP A 5 3.978 -18.830 -8.402 1.00 0.00 C ATOM 53 O TRP A 5 4.617 -18.130 -9.187 1.00 0.00 O ATOM 54 CB TRP A 5 5.775 -18.444 -6.723 1.00 0.00 C ATOM 55 CG TRP A 5 5.242 -17.223 -6.043 1.00 0.00 C ATOM 56 CD1 TRP A 5 4.898 -17.150 -4.738 1.00 0.00 C ATOM 57 CD2 TRP A 5 4.987 -15.905 -6.610 1.00 0.00 C ATOM 58 NE1 TRP A 5 4.447 -15.870 -4.465 1.00 0.00 N ATOM 59 CE2 TRP A 5 4.484 -15.066 -5.587 1.00 0.00 C ATOM 60 CE3 TRP A 5 5.143 -15.361 -7.898 1.00 0.00 C ATOM 61 CZ2 TRP A 5 4.146 -13.735 -5.834 1.00 0.00 C ATOM 62 CZ3 TRP A 5 4.803 -14.023 -8.149 1.00 0.00 C ATOM 63 CH2 TRP A 5 4.306 -13.211 -7.119 1.00 0.00 C ATOM 0 H TRP A 5 6.094 -20.837 -7.291 1.00 0.00 H new ATOM 0 HA TRP A 5 3.870 -19.361 -6.321 1.00 0.00 H new ATOM 0 HB2 TRP A 5 6.458 -18.974 -6.059 1.00 0.00 H new ATOM 0 HB3 TRP A 5 6.346 -18.161 -7.607 1.00 0.00 H new ATOM 0 HD1 TRP A 5 4.964 -17.958 -4.025 1.00 0.00 H new ATOM 0 HE1 TRP A 5 4.127 -15.559 -3.548 1.00 0.00 H new ATOM 0 HE3 TRP A 5 5.527 -15.977 -8.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 3.763 -13.114 -5.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 4.925 -13.616 -9.142 1.00 0.00 H new ATOM 0 HH2 TRP A 5 4.047 -12.182 -7.319 1.00 0.00 H new ATOM 74 N HIS A 6 2.710 -19.177 -8.606 1.00 0.00 N ATOM 75 CA HIS A 6 1.991 -18.735 -9.798 1.00 0.00 C ATOM 76 C HIS A 6 0.547 -19.224 -9.760 1.00 0.00 C ATOM 77 O HIS A 6 0.284 -20.424 -9.678 1.00 0.00 O ATOM 78 CB HIS A 6 2.666 -19.273 -11.061 1.00 0.00 C ATOM 79 CG HIS A 6 2.227 -18.463 -12.249 1.00 0.00 C ATOM 80 ND1 HIS A 6 1.595 -19.036 -13.342 1.00 0.00 N ATOM 81 CD2 HIS A 6 2.320 -17.123 -12.530 1.00 0.00 C ATOM 82 CE1 HIS A 6 1.335 -18.051 -14.222 1.00 0.00 C ATOM 83 NE2 HIS A 6 1.758 -16.865 -13.777 1.00 0.00 N ATOM 0 H HIS A 6 2.164 -19.757 -7.969 1.00 0.00 H new ATOM 0 HA HIS A 6 2.006 -17.645 -9.815 1.00 0.00 H new ATOM 0 HB2 HIS A 6 3.750 -19.225 -10.955 1.00 0.00 H new ATOM 0 HB3 HIS A 6 2.406 -20.322 -11.206 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.762 -16.381 -11.882 1.00 0.00 H new ATOM 0 HE1 HIS A 6 0.844 -18.202 -15.172 1.00 0.00 H new ATOM 0 HE2 HIS A 6 1.685 -15.964 -14.249 1.00 0.00 H new ATOM 91 N ARG A 7 -0.389 -18.278 -9.826 1.00 0.00 N ATOM 92 CA ARG A 7 -1.815 -18.613 -9.806 1.00 0.00 C ATOM 93 C ARG A 7 -2.666 -17.336 -9.766 1.00 0.00 C ATOM 94 O ARG A 7 -3.554 -17.159 -10.600 1.00 0.00 O ATOM 95 CB ARG A 7 -2.162 -19.494 -8.592 1.00 0.00 C ATOM 96 CG ARG A 7 -2.995 -20.699 -9.043 1.00 0.00 C ATOM 97 CD ARG A 7 -3.093 -21.709 -7.900 1.00 0.00 C ATOM 98 NE ARG A 7 -1.775 -22.270 -7.591 1.00 0.00 N ATOM 99 CZ ARG A 7 -1.616 -23.279 -6.721 1.00 0.00 C ATOM 100 NH1 ARG A 7 -2.642 -23.813 -6.103 1.00 0.00 N ATOM 101 NH2 ARG A 7 -0.418 -23.737 -6.485 1.00 0.00 N ATOM 0 H ARG A 7 -0.189 -17.280 -9.893 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.035 -19.169 -10.717 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.248 -19.834 -8.106 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.717 -18.912 -7.856 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.992 -20.374 -9.341 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.537 -21.165 -9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.505 -21.225 -7.014 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.780 -22.510 -8.174 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.952 -21.881 -8.052 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.583 -23.462 -6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.499 -24.579 -5.445 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.387 -23.328 -6.960 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.286 -24.504 -5.825 1.00 0.00 H new ATOM 115 N PRO A 8 -2.419 -16.427 -8.802 1.00 0.00 N ATOM 116 CA PRO A 8 -3.195 -15.179 -8.700 1.00 0.00 C ATOM 117 C PRO A 8 -2.682 -14.089 -9.638 1.00 0.00 C ATOM 118 O PRO A 8 -1.565 -14.167 -10.153 1.00 0.00 O ATOM 119 CB PRO A 8 -2.983 -14.783 -7.245 1.00 0.00 C ATOM 120 CG PRO A 8 -1.685 -15.436 -6.786 1.00 0.00 C ATOM 121 CD PRO A 8 -1.367 -16.571 -7.764 1.00 0.00 C ATOM 0 HA PRO A 8 -4.239 -15.311 -8.983 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.925 -13.699 -7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.819 -15.115 -6.630 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.875 -14.707 -6.769 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.788 -15.822 -5.772 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.367 -16.470 -8.187 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.411 -17.546 -7.278 1.00 0.00 H new ATOM 129 N ASP A 9 -3.510 -13.071 -9.853 1.00 0.00 N ATOM 130 CA ASP A 9 -3.133 -11.967 -10.731 1.00 0.00 C ATOM 131 C ASP A 9 -2.139 -11.046 -10.032 1.00 0.00 C ATOM 132 O ASP A 9 -0.958 -11.006 -10.378 1.00 0.00 O ATOM 133 CB ASP A 9 -4.367 -11.156 -11.133 1.00 0.00 C ATOM 134 CG ASP A 9 -5.109 -11.880 -12.251 1.00 0.00 C ATOM 135 OD1 ASP A 9 -5.307 -13.078 -12.127 1.00 0.00 O ATOM 136 OD2 ASP A 9 -5.471 -11.226 -13.216 1.00 0.00 O ATOM 0 H ASP A 9 -4.437 -12.987 -9.436 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.671 -12.390 -11.623 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.024 -11.023 -10.273 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.069 -10.161 -11.464 1.00 0.00 H new ATOM 141 N LYS A 10 -2.632 -10.308 -9.044 1.00 0.00 N ATOM 142 CA LYS A 10 -1.783 -9.387 -8.295 1.00 0.00 C ATOM 143 C LYS A 10 -2.291 -9.226 -6.867 1.00 0.00 C ATOM 144 O LYS A 10 -2.136 -8.173 -6.249 1.00 0.00 O ATOM 145 CB LYS A 10 -1.759 -8.018 -8.973 1.00 0.00 C ATOM 146 CG LYS A 10 -3.189 -7.498 -9.135 1.00 0.00 C ATOM 147 CD LYS A 10 -3.218 -6.405 -10.206 1.00 0.00 C ATOM 148 CE LYS A 10 -2.945 -5.048 -9.557 1.00 0.00 C ATOM 149 NZ LYS A 10 -2.977 -3.984 -10.601 1.00 0.00 N ATOM 0 H LYS A 10 -3.607 -10.328 -8.744 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.775 -9.802 -8.273 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.172 -7.317 -8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.276 -8.092 -9.947 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.854 -8.314 -9.416 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.553 -7.102 -8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.470 -6.611 -10.971 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.188 -6.394 -10.703 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.692 -4.843 -8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.974 -5.058 -9.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.791 -3.060 -10.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.249 -4.179 -11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.913 -3.970 -11.054 1.00 0.00 H new ATOM 163 N CYS A 11 -2.902 -10.287 -6.351 1.00 0.00 N ATOM 164 CA CYS A 11 -3.436 -10.267 -4.991 1.00 0.00 C ATOM 165 C CYS A 11 -2.311 -10.045 -3.985 1.00 0.00 C ATOM 166 O CYS A 11 -1.170 -9.775 -4.357 1.00 0.00 O ATOM 167 CB CYS A 11 -4.137 -11.590 -4.668 1.00 0.00 C ATOM 168 SG CYS A 11 -5.353 -11.974 -5.957 1.00 0.00 S ATOM 0 H CYS A 11 -3.040 -11.167 -6.849 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.155 -9.451 -4.924 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.403 -12.393 -4.597 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.631 -11.523 -3.698 1.00 0.00 H new ATOM 173 N CYS A 12 -2.646 -10.166 -2.703 1.00 0.00 N ATOM 174 CA CYS A 12 -1.656 -9.979 -1.647 1.00 0.00 C ATOM 175 C CYS A 12 -1.958 -10.903 -0.470 1.00 0.00 C ATOM 176 O CYS A 12 -3.107 -11.276 -0.235 1.00 0.00 O ATOM 177 CB CYS A 12 -1.660 -8.526 -1.161 1.00 0.00 C ATOM 178 SG CYS A 12 0.027 -8.013 -0.742 1.00 0.00 S ATOM 0 H CYS A 12 -3.585 -10.390 -2.373 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.674 -10.219 -2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.066 -7.875 -1.935 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.307 -8.426 -0.290 1.00 0.00 H new ATOM 183 N LEU A 13 -0.912 -11.273 0.264 1.00 0.00 N ATOM 184 CA LEU A 13 -1.078 -12.160 1.413 1.00 0.00 C ATOM 185 C LEU A 13 -0.682 -11.453 2.707 1.00 0.00 C ATOM 186 O LEU A 13 -1.303 -11.648 3.752 1.00 0.00 O ATOM 187 CB LEU A 13 -0.220 -13.416 1.248 1.00 0.00 C ATOM 188 CG LEU A 13 1.293 -13.176 1.251 1.00 0.00 C ATOM 189 CD1 LEU A 13 1.832 -13.320 2.675 1.00 0.00 C ATOM 190 CD2 LEU A 13 1.975 -14.203 0.343 1.00 0.00 C ATOM 0 H LEU A 13 0.048 -10.977 0.088 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.130 -12.441 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.463 -14.111 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.493 -13.903 0.312 1.00 0.00 H new ATOM 0 HG LEU A 13 1.500 -12.171 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.909 -13.149 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.348 -12.589 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.624 -14.325 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.052 -14.032 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.766 -15.208 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.593 -14.101 -0.673 1.00 0.00 H new ATOM 202 N GLY A 14 0.361 -10.633 2.626 1.00 0.00 N ATOM 203 CA GLY A 14 0.835 -9.905 3.801 1.00 0.00 C ATOM 204 C GLY A 14 0.561 -8.412 3.664 1.00 0.00 C ATOM 205 O GLY A 14 0.195 -7.926 2.594 1.00 0.00 O ATOM 0 H GLY A 14 0.889 -10.456 1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.342 -10.289 4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.904 -10.072 3.930 1.00 0.00 H new ATOM 209 N TYR A 15 0.744 -7.689 4.766 1.00 0.00 N ATOM 210 CA TYR A 15 0.517 -6.246 4.768 1.00 0.00 C ATOM 211 C TYR A 15 1.552 -5.549 5.646 1.00 0.00 C ATOM 212 O TYR A 15 2.335 -6.198 6.339 1.00 0.00 O ATOM 213 CB TYR A 15 -0.883 -5.925 5.297 1.00 0.00 C ATOM 214 CG TYR A 15 -1.917 -6.412 4.312 1.00 0.00 C ATOM 215 CD1 TYR A 15 -2.313 -7.755 4.316 1.00 0.00 C ATOM 216 CD2 TYR A 15 -2.481 -5.520 3.395 1.00 0.00 C ATOM 217 CE1 TYR A 15 -3.273 -8.204 3.400 1.00 0.00 C ATOM 218 CE2 TYR A 15 -3.440 -5.967 2.480 1.00 0.00 C ATOM 219 CZ TYR A 15 -3.836 -7.309 2.482 1.00 0.00 C ATOM 220 OH TYR A 15 -4.783 -7.750 1.580 1.00 0.00 O ATOM 0 H TYR A 15 1.046 -8.074 5.661 1.00 0.00 H new ATOM 0 HA TYR A 15 0.607 -5.888 3.743 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.035 -6.401 6.266 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.988 -4.851 5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.879 -8.444 5.025 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.176 -4.484 3.393 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.579 -9.240 3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.875 -5.277 1.772 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.581 -8.672 1.318 1.00 0.00 H new ATOM 230 N GLN A 16 1.548 -4.219 5.608 1.00 0.00 N ATOM 231 CA GLN A 16 2.496 -3.446 6.408 1.00 0.00 C ATOM 232 C GLN A 16 2.062 -3.415 7.866 1.00 0.00 C ATOM 233 O GLN A 16 1.040 -2.822 8.213 1.00 0.00 O ATOM 234 CB GLN A 16 2.596 -2.006 5.897 1.00 0.00 C ATOM 235 CG GLN A 16 4.006 -1.466 6.159 1.00 0.00 C ATOM 236 CD GLN A 16 5.029 -2.249 5.335 1.00 0.00 C ATOM 237 OE1 GLN A 16 4.668 -3.103 4.523 1.00 0.00 O ATOM 238 NE2 GLN A 16 6.300 -2.004 5.499 1.00 0.00 N ATOM 0 H GLN A 16 0.910 -3.660 5.041 1.00 0.00 H new ATOM 0 HA GLN A 16 3.469 -3.930 6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.375 -1.971 4.830 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.857 -1.380 6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.053 -0.408 5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.244 -1.546 7.220 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.601 -1.298 6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.993 -2.519 4.956 1.00 0.00 H new ATOM 247 N LYS A 17 2.854 -4.052 8.720 1.00 0.00 N ATOM 248 CA LYS A 17 2.545 -4.080 10.145 1.00 0.00 C ATOM 249 C LYS A 17 2.942 -2.764 10.827 1.00 0.00 C ATOM 250 O LYS A 17 2.651 -2.558 12.004 1.00 0.00 O ATOM 251 CB LYS A 17 3.280 -5.234 10.829 1.00 0.00 C ATOM 252 CG LYS A 17 4.778 -5.131 10.535 1.00 0.00 C ATOM 253 CD LYS A 17 5.564 -5.843 11.638 1.00 0.00 C ATOM 254 CE LYS A 17 7.035 -5.427 11.566 1.00 0.00 C ATOM 255 NZ LYS A 17 7.753 -6.306 10.599 1.00 0.00 N ATOM 0 H LYS A 17 3.704 -4.550 8.456 1.00 0.00 H new ATOM 0 HA LYS A 17 1.468 -4.219 10.242 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.107 -5.203 11.905 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.893 -6.188 10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.001 -5.580 9.567 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.077 -4.084 10.478 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.151 -5.590 12.615 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.474 -6.923 11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.115 -4.385 11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.494 -5.502 12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.753 -6.024 10.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.688 -7.295 10.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.320 -6.213 9.658 1.00 0.00 H new ATOM 269 N ARG A 18 3.604 -1.871 10.082 1.00 0.00 N ATOM 270 CA ARG A 18 4.020 -0.590 10.645 1.00 0.00 C ATOM 271 C ARG A 18 3.440 0.562 9.817 1.00 0.00 C ATOM 272 O ARG A 18 3.241 0.420 8.610 1.00 0.00 O ATOM 273 CB ARG A 18 5.545 -0.479 10.658 1.00 0.00 C ATOM 274 CG ARG A 18 6.094 -1.142 11.923 1.00 0.00 C ATOM 275 CD ARG A 18 7.616 -0.993 11.957 1.00 0.00 C ATOM 276 NE ARG A 18 8.159 -1.525 13.210 1.00 0.00 N ATOM 277 CZ ARG A 18 9.434 -1.330 13.574 1.00 0.00 C ATOM 278 NH1 ARG A 18 10.261 -0.647 12.819 1.00 0.00 N ATOM 279 NH2 ARG A 18 9.862 -1.828 14.703 1.00 0.00 N ATOM 0 H ARG A 18 3.858 -2.012 9.104 1.00 0.00 H new ATOM 0 HA ARG A 18 3.648 -0.531 11.668 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.963 -0.958 9.773 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.844 0.569 10.624 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.653 -0.683 12.808 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.821 -2.197 11.942 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.057 -1.520 11.111 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.886 0.058 11.855 1.00 0.00 H new ATOM 0 HE ARG A 18 7.547 -2.061 13.825 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.938 -0.252 11.936 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.227 -0.511 13.115 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.228 -2.360 15.299 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.831 -1.685 14.989 1.00 0.00 H new ATOM 293 N PRO A 19 3.157 1.715 10.445 1.00 0.00 N ATOM 294 CA PRO A 19 2.595 2.871 9.727 1.00 0.00 C ATOM 295 C PRO A 19 3.659 3.706 9.018 1.00 0.00 C ATOM 296 O PRO A 19 4.703 4.024 9.587 1.00 0.00 O ATOM 297 CB PRO A 19 1.939 3.663 10.851 1.00 0.00 C ATOM 298 CG PRO A 19 2.640 3.269 12.146 1.00 0.00 C ATOM 299 CD PRO A 19 3.371 1.947 11.892 1.00 0.00 C ATOM 0 HA PRO A 19 1.915 2.576 8.928 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.033 4.734 10.673 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.873 3.441 10.907 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.344 4.043 12.452 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.917 3.158 12.954 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.431 2.020 12.136 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.960 1.137 12.495 1.00 0.00 H new ATOM 307 N LEU A 20 3.377 4.056 7.765 1.00 0.00 N ATOM 308 CA LEU A 20 4.313 4.854 6.973 1.00 0.00 C ATOM 309 C LEU A 20 3.790 6.288 6.817 1.00 0.00 C ATOM 310 O LEU A 20 2.579 6.510 6.816 1.00 0.00 O ATOM 311 CB LEU A 20 4.517 4.245 5.576 1.00 0.00 C ATOM 312 CG LEU A 20 4.271 2.734 5.459 1.00 0.00 C ATOM 313 CD1 LEU A 20 4.706 2.252 4.074 1.00 0.00 C ATOM 314 CD2 LEU A 20 5.079 1.999 6.530 1.00 0.00 C ATOM 0 H LEU A 20 2.517 3.803 7.279 1.00 0.00 H new ATOM 0 HA LEU A 20 5.267 4.862 7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.854 4.756 4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.538 4.453 5.256 1.00 0.00 H new ATOM 0 HG LEU A 20 3.210 2.528 5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.531 1.179 3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.130 2.774 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.767 2.459 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.904 0.926 6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.140 2.205 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.770 2.341 7.518 1.00 0.00 H new ATOM 326 N PRO A 21 4.689 7.278 6.678 1.00 0.00 N ATOM 327 CA PRO A 21 4.278 8.683 6.515 1.00 0.00 C ATOM 328 C PRO A 21 3.913 9.017 5.071 1.00 0.00 C ATOM 329 O PRO A 21 4.487 8.470 4.130 1.00 0.00 O ATOM 330 CB PRO A 21 5.530 9.442 6.942 1.00 0.00 C ATOM 331 CG PRO A 21 6.713 8.498 6.744 1.00 0.00 C ATOM 332 CD PRO A 21 6.157 7.071 6.673 1.00 0.00 C ATOM 0 HA PRO A 21 3.386 8.929 7.091 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.655 10.347 6.347 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.456 9.754 7.984 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.252 8.745 5.829 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.421 8.593 7.567 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.488 6.555 5.772 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.482 6.470 7.522 1.00 0.00 H new ATOM 340 N GLN A 22 2.960 9.928 4.907 1.00 0.00 N ATOM 341 CA GLN A 22 2.536 10.336 3.570 1.00 0.00 C ATOM 342 C GLN A 22 3.614 11.187 2.881 1.00 0.00 C ATOM 343 O GLN A 22 3.513 11.485 1.692 1.00 0.00 O ATOM 344 CB GLN A 22 1.240 11.147 3.649 1.00 0.00 C ATOM 345 CG GLN A 22 0.596 11.224 2.262 1.00 0.00 C ATOM 346 CD GLN A 22 0.981 12.538 1.588 1.00 0.00 C ATOM 347 OE1 GLN A 22 0.910 13.601 2.203 1.00 0.00 O ATOM 348 NE2 GLN A 22 1.390 12.526 0.350 1.00 0.00 N ATOM 0 H GLN A 22 2.471 10.394 5.671 1.00 0.00 H new ATOM 0 HA GLN A 22 2.372 9.430 2.986 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.552 10.683 4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.449 12.150 4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.922 10.382 1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.488 11.153 2.349 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.449 11.644 -0.159 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.651 13.398 -0.109 1.00 0.00 H new ATOM 357 N VAL A 23 4.644 11.581 3.640 1.00 0.00 N ATOM 358 CA VAL A 23 5.723 12.401 3.093 1.00 0.00 C ATOM 359 C VAL A 23 6.361 11.738 1.868 1.00 0.00 C ATOM 360 O VAL A 23 6.633 12.393 0.862 1.00 0.00 O ATOM 361 CB VAL A 23 6.786 12.644 4.178 1.00 0.00 C ATOM 362 CG1 VAL A 23 7.424 11.316 4.602 1.00 0.00 C ATOM 363 CG2 VAL A 23 7.873 13.576 3.645 1.00 0.00 C ATOM 0 H VAL A 23 4.750 11.346 4.627 1.00 0.00 H new ATOM 0 HA VAL A 23 5.302 13.354 2.774 1.00 0.00 H new ATOM 0 HB VAL A 23 6.302 13.103 5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.175 11.502 5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.655 10.653 4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.897 10.847 3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.621 13.743 4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.347 13.122 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.427 14.529 3.360 1.00 0.00 H new ATOM 373 N LEU A 24 6.593 10.437 1.968 1.00 0.00 N ATOM 374 CA LEU A 24 7.198 9.693 0.866 1.00 0.00 C ATOM 375 C LEU A 24 6.114 9.049 -0.005 1.00 0.00 C ATOM 376 O LEU A 24 6.323 8.772 -1.184 1.00 0.00 O ATOM 377 CB LEU A 24 8.158 8.613 1.415 1.00 0.00 C ATOM 378 CG LEU A 24 7.640 7.160 1.430 1.00 0.00 C ATOM 379 CD1 LEU A 24 8.735 6.233 1.946 1.00 0.00 C ATOM 380 CD2 LEU A 24 6.396 7.057 2.327 1.00 0.00 C ATOM 0 H LEU A 24 6.375 9.876 2.792 1.00 0.00 H new ATOM 0 HA LEU A 24 7.768 10.388 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.073 8.641 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.429 8.887 2.435 1.00 0.00 H new ATOM 0 HG LEU A 24 7.368 6.864 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.368 5.207 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.606 6.300 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.015 6.528 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.036 6.028 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.654 7.357 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.615 7.713 1.942 1.00 0.00 H new ATOM 392 N LEU A 25 4.971 8.773 0.601 1.00 0.00 N ATOM 393 CA LEU A 25 3.893 8.130 -0.128 1.00 0.00 C ATOM 394 C LEU A 25 3.142 9.123 -0.996 1.00 0.00 C ATOM 395 O LEU A 25 2.813 10.232 -0.575 1.00 0.00 O ATOM 396 CB LEU A 25 2.924 7.426 0.824 1.00 0.00 C ATOM 397 CG LEU A 25 2.383 6.068 0.344 1.00 0.00 C ATOM 398 CD1 LEU A 25 3.525 5.202 -0.208 1.00 0.00 C ATOM 399 CD2 LEU A 25 1.729 5.346 1.523 1.00 0.00 C ATOM 0 H LEU A 25 4.768 8.980 1.579 1.00 0.00 H new ATOM 0 HA LEU A 25 4.346 7.381 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.426 7.278 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.078 8.089 1.007 1.00 0.00 H new ATOM 0 HG LEU A 25 1.653 6.236 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.126 4.245 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.996 5.713 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.264 5.033 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.343 4.382 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.468 5.189 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.909 5.951 1.911 1.00 0.00 H new ATOM 411 N SER A 26 2.891 8.700 -2.229 1.00 0.00 N ATOM 412 CA SER A 26 2.189 9.544 -3.193 1.00 0.00 C ATOM 413 C SER A 26 0.707 9.183 -3.269 1.00 0.00 C ATOM 414 O SER A 26 -0.157 9.979 -2.904 1.00 0.00 O ATOM 415 CB SER A 26 2.808 9.394 -4.583 1.00 0.00 C ATOM 416 OG SER A 26 2.651 10.612 -5.300 1.00 0.00 O ATOM 0 H SER A 26 3.161 7.783 -2.585 1.00 0.00 H new ATOM 0 HA SER A 26 2.285 10.576 -2.855 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.865 9.142 -4.498 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.328 8.577 -5.121 1.00 0.00 H new ATOM 0 HG SER A 26 3.048 10.520 -6.191 1.00 0.00 H new ATOM 422 N SER A 27 0.418 7.979 -3.761 1.00 0.00 N ATOM 423 CA SER A 27 -0.971 7.540 -3.891 1.00 0.00 C ATOM 424 C SER A 27 -1.105 6.048 -3.581 1.00 0.00 C ATOM 425 O SER A 27 -0.180 5.419 -3.068 1.00 0.00 O ATOM 426 CB SER A 27 -1.482 7.806 -5.309 1.00 0.00 C ATOM 427 OG SER A 27 -0.734 8.867 -5.892 1.00 0.00 O ATOM 0 H SER A 27 1.113 7.300 -4.071 1.00 0.00 H new ATOM 0 HA SER A 27 -1.567 8.106 -3.175 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.389 6.905 -5.915 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.541 8.065 -5.283 1.00 0.00 H new ATOM 0 HG SER A 27 -1.060 9.036 -6.801 1.00 0.00 H new ATOM 433 N TRP A 28 -2.276 5.496 -3.896 1.00 0.00 N ATOM 434 CA TRP A 28 -2.546 4.078 -3.649 1.00 0.00 C ATOM 435 C TRP A 28 -3.506 3.534 -4.702 1.00 0.00 C ATOM 436 O TRP A 28 -4.353 4.260 -5.219 1.00 0.00 O ATOM 437 CB TRP A 28 -3.174 3.881 -2.263 1.00 0.00 C ATOM 438 CG TRP A 28 -4.324 4.829 -2.087 1.00 0.00 C ATOM 439 CD1 TRP A 28 -4.213 6.105 -1.653 1.00 0.00 C ATOM 440 CD2 TRP A 28 -5.744 4.603 -2.335 1.00 0.00 C ATOM 441 NE1 TRP A 28 -5.471 6.679 -1.618 1.00 0.00 N ATOM 442 CE2 TRP A 28 -6.448 5.793 -2.030 1.00 0.00 C ATOM 443 CE3 TRP A 28 -6.484 3.496 -2.790 1.00 0.00 C ATOM 444 CZ2 TRP A 28 -7.833 5.879 -2.173 1.00 0.00 C ATOM 445 CZ3 TRP A 28 -7.878 3.580 -2.934 1.00 0.00 C ATOM 446 CH2 TRP A 28 -8.551 4.770 -2.626 1.00 0.00 C ATOM 0 H TRP A 28 -3.051 6.006 -4.321 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.598 3.542 -3.698 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.518 2.853 -2.152 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.427 4.052 -1.488 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.291 6.596 -1.378 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.655 7.638 -1.324 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.975 2.574 -3.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.347 6.798 -1.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.435 2.723 -3.284 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.623 4.829 -2.739 1.00 0.00 H new ATOM 457 N TYR A 29 -3.376 2.243 -5.010 1.00 0.00 N ATOM 458 CA TYR A 29 -4.256 1.624 -5.999 1.00 0.00 C ATOM 459 C TYR A 29 -4.839 0.309 -5.453 1.00 0.00 C ATOM 460 O TYR A 29 -4.162 -0.414 -4.722 1.00 0.00 O ATOM 461 CB TYR A 29 -3.509 1.376 -7.324 1.00 0.00 C ATOM 462 CG TYR A 29 -2.497 0.253 -7.200 1.00 0.00 C ATOM 463 CD1 TYR A 29 -1.240 0.488 -6.626 1.00 0.00 C ATOM 464 CD2 TYR A 29 -2.817 -1.024 -7.679 1.00 0.00 C ATOM 465 CE1 TYR A 29 -0.309 -0.551 -6.534 1.00 0.00 C ATOM 466 CE2 TYR A 29 -1.883 -2.061 -7.587 1.00 0.00 C ATOM 467 CZ TYR A 29 -0.629 -1.825 -7.015 1.00 0.00 C ATOM 468 OH TYR A 29 0.292 -2.849 -6.925 1.00 0.00 O ATOM 0 H TYR A 29 -2.684 1.617 -4.598 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.078 2.311 -6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.228 1.132 -8.106 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.001 2.290 -7.631 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.991 1.471 -6.255 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.786 -1.208 -8.120 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.659 -0.370 -6.091 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.130 -3.045 -7.958 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.091 -3.668 -7.304 1.00 0.00 H new ATOM 478 N PRO A 30 -6.102 -0.016 -5.788 1.00 0.00 N ATOM 479 CA PRO A 30 -6.740 -1.251 -5.297 1.00 0.00 C ATOM 480 C PRO A 30 -6.352 -2.485 -6.107 1.00 0.00 C ATOM 481 O PRO A 30 -6.189 -2.423 -7.326 1.00 0.00 O ATOM 482 CB PRO A 30 -8.223 -0.940 -5.466 1.00 0.00 C ATOM 483 CG PRO A 30 -8.336 0.130 -6.546 1.00 0.00 C ATOM 484 CD PRO A 30 -6.966 0.806 -6.667 1.00 0.00 C ATOM 0 HA PRO A 30 -6.441 -1.495 -4.278 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.774 -1.836 -5.752 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.652 -0.587 -4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.630 -0.314 -7.497 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.102 0.860 -6.285 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.607 0.807 -7.696 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.000 1.845 -6.340 1.00 0.00 H new ATOM 492 N THR A 31 -6.210 -3.607 -5.409 1.00 0.00 N ATOM 493 CA THR A 31 -5.846 -4.862 -6.060 1.00 0.00 C ATOM 494 C THR A 31 -7.093 -5.717 -6.286 1.00 0.00 C ATOM 495 O THR A 31 -8.214 -5.282 -6.024 1.00 0.00 O ATOM 496 CB THR A 31 -4.837 -5.634 -5.197 1.00 0.00 C ATOM 497 OG1 THR A 31 -4.506 -6.863 -5.830 1.00 0.00 O ATOM 498 CG2 THR A 31 -5.433 -5.916 -3.812 1.00 0.00 C ATOM 0 H THR A 31 -6.340 -3.674 -4.400 1.00 0.00 H new ATOM 0 HA THR A 31 -5.389 -4.635 -7.023 1.00 0.00 H new ATOM 0 HB THR A 31 -3.937 -5.030 -5.082 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.535 -6.995 -5.800 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.709 -6.464 -3.209 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.675 -4.973 -3.321 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.339 -6.512 -3.920 1.00 0.00 H new ATOM 506 N SER A 32 -6.885 -6.936 -6.775 1.00 0.00 N ATOM 507 CA SER A 32 -8.001 -7.845 -7.034 1.00 0.00 C ATOM 508 C SER A 32 -8.767 -8.132 -5.744 1.00 0.00 C ATOM 509 O SER A 32 -8.191 -8.569 -4.747 1.00 0.00 O ATOM 510 CB SER A 32 -7.491 -9.162 -7.617 1.00 0.00 C ATOM 511 OG SER A 32 -7.424 -9.053 -9.032 1.00 0.00 O ATOM 0 H SER A 32 -5.965 -7.316 -6.998 1.00 0.00 H new ATOM 0 HA SER A 32 -8.668 -7.365 -7.751 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.507 -9.396 -7.212 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.154 -9.979 -7.334 1.00 0.00 H new ATOM 0 HG SER A 32 -7.096 -9.895 -9.410 1.00 0.00 H new ATOM 517 N GLN A 33 -10.071 -7.878 -5.778 1.00 0.00 N ATOM 518 CA GLN A 33 -10.916 -8.107 -4.608 1.00 0.00 C ATOM 519 C GLN A 33 -11.215 -9.596 -4.431 1.00 0.00 C ATOM 520 O GLN A 33 -11.464 -10.062 -3.318 1.00 0.00 O ATOM 521 CB GLN A 33 -12.238 -7.349 -4.749 1.00 0.00 C ATOM 522 CG GLN A 33 -12.084 -5.941 -4.171 1.00 0.00 C ATOM 523 CD GLN A 33 -13.462 -5.346 -3.905 1.00 0.00 C ATOM 524 OE1 GLN A 33 -14.146 -4.911 -4.832 1.00 0.00 O ATOM 525 NE2 GLN A 33 -13.916 -5.300 -2.682 1.00 0.00 N ATOM 0 H GLN A 33 -10.564 -7.517 -6.595 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.375 -7.745 -3.734 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.527 -7.293 -5.798 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -13.033 -7.883 -4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.507 -5.977 -3.247 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.532 -5.309 -4.867 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -13.350 -5.660 -1.914 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.837 -4.904 -2.494 1.00 0.00 H new ATOM 534 N LEU A 34 -11.191 -10.337 -5.536 1.00 0.00 N ATOM 535 CA LEU A 34 -11.465 -11.771 -5.484 1.00 0.00 C ATOM 536 C LEU A 34 -10.194 -12.544 -5.130 1.00 0.00 C ATOM 537 O LEU A 34 -9.732 -13.401 -5.886 1.00 0.00 O ATOM 538 CB LEU A 34 -12.006 -12.265 -6.833 1.00 0.00 C ATOM 539 CG LEU A 34 -13.324 -11.629 -7.296 1.00 0.00 C ATOM 540 CD1 LEU A 34 -14.348 -11.656 -6.157 1.00 0.00 C ATOM 541 CD2 LEU A 34 -13.073 -10.179 -7.718 1.00 0.00 C ATOM 0 H LEU A 34 -10.987 -9.974 -6.467 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.216 -11.945 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.249 -12.083 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.146 -13.344 -6.774 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.713 -12.195 -8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -15.280 -11.203 -6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -14.534 -12.688 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -13.960 -11.097 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -14.010 -9.728 -8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.677 -9.617 -6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.353 -10.158 -8.536 1.00 0.00 H new ATOM 553 N CYS A 35 -9.634 -12.230 -3.966 1.00 0.00 N ATOM 554 CA CYS A 35 -8.416 -12.898 -3.511 1.00 0.00 C ATOM 555 C CYS A 35 -8.584 -13.378 -2.073 1.00 0.00 C ATOM 556 O CYS A 35 -9.522 -12.988 -1.378 1.00 0.00 O ATOM 557 CB CYS A 35 -7.217 -11.947 -3.580 1.00 0.00 C ATOM 558 SG CYS A 35 -7.091 -11.238 -5.240 1.00 0.00 S ATOM 0 H CYS A 35 -9.998 -11.525 -3.325 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.236 -13.750 -4.166 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.329 -11.152 -2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.301 -12.484 -3.333 1.00 0.00 H new ATOM 563 N SER A 36 -7.660 -14.229 -1.633 1.00 0.00 N ATOM 564 CA SER A 36 -7.712 -14.758 -0.272 1.00 0.00 C ATOM 565 C SER A 36 -7.572 -13.626 0.740 1.00 0.00 C ATOM 566 O SER A 36 -8.261 -13.594 1.761 1.00 0.00 O ATOM 567 CB SER A 36 -6.590 -15.770 -0.046 1.00 0.00 C ATOM 568 OG SER A 36 -7.013 -16.734 0.909 1.00 0.00 O ATOM 0 H SER A 36 -6.875 -14.564 -2.191 1.00 0.00 H new ATOM 0 HA SER A 36 -8.675 -15.252 -0.138 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.332 -16.260 -0.985 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.692 -15.262 0.306 1.00 0.00 H new ATOM 0 HG SER A 36 -6.296 -17.386 1.055 1.00 0.00 H new ATOM 574 N LYS A 37 -6.673 -12.695 0.440 1.00 0.00 N ATOM 575 CA LYS A 37 -6.443 -11.554 1.324 1.00 0.00 C ATOM 576 C LYS A 37 -6.221 -10.283 0.495 1.00 0.00 C ATOM 577 O LYS A 37 -5.083 -9.860 0.291 1.00 0.00 O ATOM 578 CB LYS A 37 -5.218 -11.799 2.209 1.00 0.00 C ATOM 579 CG LYS A 37 -5.360 -13.145 2.923 1.00 0.00 C ATOM 580 CD LYS A 37 -4.734 -13.055 4.317 1.00 0.00 C ATOM 581 CE LYS A 37 -3.274 -13.505 4.252 1.00 0.00 C ATOM 582 NZ LYS A 37 -3.187 -14.956 4.578 1.00 0.00 N ATOM 0 H LYS A 37 -6.095 -12.705 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.322 -11.429 1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.312 -11.791 1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.119 -10.997 2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.413 -13.417 3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.872 -13.929 2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.794 -12.032 4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.288 -13.681 5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.869 -13.320 3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.672 -12.927 4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.194 -15.263 4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.558 -15.119 5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.748 -15.500 3.892 1.00 0.00 H new ATOM 596 N PRO A 38 -7.303 -9.657 0.001 1.00 0.00 N ATOM 597 CA PRO A 38 -7.188 -8.434 -0.812 1.00 0.00 C ATOM 598 C PRO A 38 -7.028 -7.172 0.033 1.00 0.00 C ATOM 599 O PRO A 38 -7.189 -7.198 1.254 1.00 0.00 O ATOM 600 CB PRO A 38 -8.513 -8.415 -1.562 1.00 0.00 C ATOM 601 CG PRO A 38 -9.506 -9.226 -0.735 1.00 0.00 C ATOM 602 CD PRO A 38 -8.696 -10.117 0.212 1.00 0.00 C ATOM 0 HA PRO A 38 -6.306 -8.443 -1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.866 -7.392 -1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.399 -8.844 -2.557 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.165 -8.566 -0.171 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.140 -9.831 -1.383 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.009 -9.992 1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.812 -11.173 -0.031 1.00 0.00 H new ATOM 610 N GLY A 39 -6.707 -6.070 -0.636 1.00 0.00 N ATOM 611 CA GLY A 39 -6.524 -4.793 0.047 1.00 0.00 C ATOM 612 C GLY A 39 -6.132 -3.711 -0.952 1.00 0.00 C ATOM 613 O GLY A 39 -6.729 -3.590 -2.022 1.00 0.00 O ATOM 0 H GLY A 39 -6.568 -6.034 -1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.445 -4.510 0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.753 -4.889 0.811 1.00 0.00 H new ATOM 617 N VAL A 40 -5.115 -2.929 -0.598 1.00 0.00 N ATOM 618 CA VAL A 40 -4.651 -1.865 -1.482 1.00 0.00 C ATOM 619 C VAL A 40 -3.143 -1.681 -1.351 1.00 0.00 C ATOM 620 O VAL A 40 -2.589 -1.721 -0.254 1.00 0.00 O ATOM 621 CB VAL A 40 -5.346 -0.541 -1.150 1.00 0.00 C ATOM 622 CG1 VAL A 40 -4.980 0.510 -2.195 1.00 0.00 C ATOM 623 CG2 VAL A 40 -6.861 -0.745 -1.150 1.00 0.00 C ATOM 0 H VAL A 40 -4.604 -3.010 0.281 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.895 -2.153 -2.504 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.021 -0.203 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.477 1.450 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.900 0.660 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.301 0.171 -3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.355 0.197 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.182 -1.086 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.128 -1.492 -0.402 1.00 0.00 H new ATOM 633 N ILE A 41 -2.492 -1.468 -2.489 1.00 0.00 N ATOM 634 CA ILE A 41 -1.050 -1.266 -2.505 1.00 0.00 C ATOM 635 C ILE A 41 -0.736 0.225 -2.656 1.00 0.00 C ATOM 636 O ILE A 41 -1.294 0.911 -3.512 1.00 0.00 O ATOM 637 CB ILE A 41 -0.421 -2.074 -3.660 1.00 0.00 C ATOM 638 CG1 ILE A 41 -0.447 -3.558 -3.295 1.00 0.00 C ATOM 639 CG2 ILE A 41 1.036 -1.650 -3.912 1.00 0.00 C ATOM 640 CD1 ILE A 41 -1.863 -4.107 -3.486 1.00 0.00 C ATOM 0 H ILE A 41 -2.937 -1.431 -3.406 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.625 -1.617 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.996 -1.885 -4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.255 -4.109 -3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.129 -3.695 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.450 -2.238 -4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.067 -0.592 -4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.625 -1.819 -3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.881 -5.165 -3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.554 -3.563 -2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.164 -3.984 -4.527 1.00 0.00 H new ATOM 652 N PHE A 42 0.178 0.705 -1.819 1.00 0.00 N ATOM 653 CA PHE A 42 0.580 2.106 -1.866 1.00 0.00 C ATOM 654 C PHE A 42 1.808 2.258 -2.756 1.00 0.00 C ATOM 655 O PHE A 42 2.580 1.318 -2.931 1.00 0.00 O ATOM 656 CB PHE A 42 0.918 2.615 -0.463 1.00 0.00 C ATOM 657 CG PHE A 42 -0.358 2.874 0.301 1.00 0.00 C ATOM 658 CD1 PHE A 42 -1.050 1.809 0.889 1.00 0.00 C ATOM 659 CD2 PHE A 42 -0.849 4.179 0.421 1.00 0.00 C ATOM 660 CE1 PHE A 42 -2.233 2.049 1.597 1.00 0.00 C ATOM 661 CE2 PHE A 42 -2.033 4.419 1.129 1.00 0.00 C ATOM 662 CZ PHE A 42 -2.724 3.355 1.717 1.00 0.00 C ATOM 0 H PHE A 42 0.651 0.150 -1.106 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.248 2.689 -2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.527 1.881 0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.507 3.530 -0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.671 0.802 0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.315 5.001 -0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.767 1.227 2.051 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.413 5.426 1.221 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.637 3.540 2.264 1.00 0.00 H new ATOM 672 N LEU A 43 1.981 3.449 -3.318 1.00 0.00 N ATOM 673 CA LEU A 43 3.125 3.705 -4.190 1.00 0.00 C ATOM 674 C LEU A 43 3.876 4.943 -3.718 1.00 0.00 C ATOM 675 O LEU A 43 3.410 6.069 -3.887 1.00 0.00 O ATOM 676 CB LEU A 43 2.671 3.922 -5.638 1.00 0.00 C ATOM 677 CG LEU A 43 1.447 3.106 -6.074 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.177 3.937 -5.868 1.00 0.00 C ATOM 679 CD2 LEU A 43 1.579 2.736 -7.554 1.00 0.00 C ATOM 0 H LEU A 43 1.354 4.243 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 43 3.780 2.835 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.449 4.980 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.502 3.681 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 43 1.387 2.197 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.692 3.357 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.081 4.200 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.237 4.847 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.709 2.156 -7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.640 3.645 -8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.481 2.143 -7.702 1.00 0.00 H new ATOM 691 N THR A 44 5.046 4.726 -3.122 1.00 0.00 N ATOM 692 CA THR A 44 5.846 5.840 -2.631 1.00 0.00 C ATOM 693 C THR A 44 6.378 6.662 -3.799 1.00 0.00 C ATOM 694 O THR A 44 6.215 6.284 -4.959 1.00 0.00 O ATOM 695 CB THR A 44 7.022 5.322 -1.807 1.00 0.00 C ATOM 696 OG1 THR A 44 7.888 4.577 -2.649 1.00 0.00 O ATOM 697 CG2 THR A 44 6.513 4.427 -0.676 1.00 0.00 C ATOM 0 H THR A 44 5.454 3.804 -2.970 1.00 0.00 H new ATOM 0 HA THR A 44 5.212 6.468 -2.005 1.00 0.00 H new ATOM 0 HB THR A 44 7.561 6.166 -1.376 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.358 4.084 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.358 4.061 -0.093 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.847 5.000 -0.030 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.970 3.581 -1.098 1.00 0.00 H new ATOM 705 N LYS A 45 7.026 7.792 -3.492 1.00 0.00 N ATOM 706 CA LYS A 45 7.579 8.640 -4.554 1.00 0.00 C ATOM 707 C LYS A 45 8.586 7.834 -5.369 1.00 0.00 C ATOM 708 O LYS A 45 8.406 7.590 -6.562 1.00 0.00 O ATOM 709 CB LYS A 45 8.299 9.879 -3.999 1.00 0.00 C ATOM 710 CG LYS A 45 7.464 10.638 -2.942 1.00 0.00 C ATOM 711 CD LYS A 45 5.946 10.578 -3.213 1.00 0.00 C ATOM 712 CE LYS A 45 5.644 11.123 -4.613 1.00 0.00 C ATOM 713 NZ LYS A 45 4.579 12.162 -4.521 1.00 0.00 N ATOM 0 H LYS A 45 7.178 8.134 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 45 6.742 8.974 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.247 9.574 -3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.535 10.554 -4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.668 10.219 -1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.782 11.680 -2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.593 9.550 -3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.411 11.161 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.546 11.549 -5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.322 10.314 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.786 12.931 -5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.659 11.738 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.549 12.543 -3.554 1.00 0.00 H new ATOM 727 N ARG A 46 9.643 7.415 -4.682 1.00 0.00 N ATOM 728 CA ARG A 46 10.696 6.616 -5.303 1.00 0.00 C ATOM 729 C ARG A 46 11.039 5.386 -4.446 1.00 0.00 C ATOM 730 O ARG A 46 11.957 4.633 -4.772 1.00 0.00 O ATOM 731 CB ARG A 46 11.958 7.456 -5.463 1.00 0.00 C ATOM 732 CG ARG A 46 12.975 6.700 -6.321 1.00 0.00 C ATOM 733 CD ARG A 46 13.814 7.699 -7.120 1.00 0.00 C ATOM 734 NE ARG A 46 14.281 7.098 -8.372 1.00 0.00 N ATOM 735 CZ ARG A 46 14.972 7.797 -9.283 1.00 0.00 C ATOM 736 NH1 ARG A 46 15.265 9.061 -9.093 1.00 0.00 N ATOM 737 NH2 ARG A 46 15.363 7.208 -10.380 1.00 0.00 N ATOM 0 H ARG A 46 9.795 7.615 -3.693 1.00 0.00 H new ATOM 0 HA ARG A 46 10.331 6.285 -6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.714 8.411 -5.928 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.386 7.677 -4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.621 6.092 -5.687 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.460 6.018 -6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.222 8.588 -7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.668 8.022 -6.525 1.00 0.00 H new ATOM 0 HE ARG A 46 14.074 6.116 -8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.966 9.531 -8.239 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.792 9.574 -9.800 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.142 6.225 -10.538 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.889 7.731 -11.080 1.00 0.00 H new ATOM 751 N GLY A 47 10.307 5.192 -3.344 1.00 0.00 N ATOM 752 CA GLY A 47 10.559 4.064 -2.459 1.00 0.00 C ATOM 753 C GLY A 47 10.144 2.750 -3.108 1.00 0.00 C ATOM 754 O GLY A 47 10.787 2.266 -4.040 1.00 0.00 O ATOM 0 H GLY A 47 9.542 5.800 -3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.618 4.028 -2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.011 4.201 -1.527 1.00 0.00 H new ATOM 758 N ARG A 48 9.059 2.175 -2.596 1.00 0.00 N ATOM 759 CA ARG A 48 8.558 0.907 -3.121 1.00 0.00 C ATOM 760 C ARG A 48 7.054 0.789 -2.889 1.00 0.00 C ATOM 761 O ARG A 48 6.410 1.722 -2.411 1.00 0.00 O ATOM 762 CB ARG A 48 9.268 -0.266 -2.434 1.00 0.00 C ATOM 763 CG ARG A 48 10.467 -0.716 -3.282 1.00 0.00 C ATOM 764 CD ARG A 48 11.769 -0.236 -2.633 1.00 0.00 C ATOM 765 NE ARG A 48 12.930 -0.735 -3.375 1.00 0.00 N ATOM 766 CZ ARG A 48 14.168 -0.711 -2.861 1.00 0.00 C ATOM 767 NH1 ARG A 48 14.397 -0.233 -1.661 1.00 0.00 N ATOM 768 NH2 ARG A 48 15.164 -1.170 -3.568 1.00 0.00 N ATOM 0 H ARG A 48 8.514 2.562 -1.826 1.00 0.00 H new ATOM 0 HA ARG A 48 8.758 0.878 -4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.604 0.032 -1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.574 -1.095 -2.300 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.473 -1.802 -3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.382 -0.313 -4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.788 0.854 -2.607 1.00 0.00 H new ATOM 0 HD3 ARG A 48 11.815 -0.581 -1.600 1.00 0.00 H new ATOM 0 HE ARG A 48 12.792 -1.113 -4.312 1.00 0.00 H new ATOM 0 HH11 ARG A 48 13.626 0.129 -1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 48 15.346 -0.224 -1.288 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.997 -1.543 -4.503 1.00 0.00 H new ATOM 0 HH22 ARG A 48 16.110 -1.156 -3.186 1.00 0.00 H new ATOM 782 N GLN A 49 6.507 -0.380 -3.218 1.00 0.00 N ATOM 783 CA GLN A 49 5.080 -0.622 -3.025 1.00 0.00 C ATOM 784 C GLN A 49 4.851 -1.318 -1.686 1.00 0.00 C ATOM 785 O GLN A 49 5.756 -1.951 -1.142 1.00 0.00 O ATOM 786 CB GLN A 49 4.522 -1.497 -4.150 1.00 0.00 C ATOM 787 CG GLN A 49 3.996 -0.607 -5.277 1.00 0.00 C ATOM 788 CD GLN A 49 5.099 -0.381 -6.306 1.00 0.00 C ATOM 789 OE1 GLN A 49 6.167 0.136 -5.977 1.00 0.00 O ATOM 790 NE2 GLN A 49 4.903 -0.743 -7.544 1.00 0.00 N ATOM 0 H GLN A 49 7.023 -1.165 -3.615 1.00 0.00 H new ATOM 0 HA GLN A 49 4.565 0.338 -3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.300 -2.160 -4.529 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.721 -2.131 -3.769 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.133 -1.074 -5.751 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.660 0.348 -4.873 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.018 -1.171 -7.816 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.635 -0.598 -8.240 1.00 0.00 H new ATOM 799 N VAL A 50 3.638 -1.193 -1.156 1.00 0.00 N ATOM 800 CA VAL A 50 3.318 -1.815 0.127 1.00 0.00 C ATOM 801 C VAL A 50 1.837 -2.171 0.208 1.00 0.00 C ATOM 802 O VAL A 50 0.968 -1.345 -0.066 1.00 0.00 O ATOM 803 CB VAL A 50 3.658 -0.862 1.279 1.00 0.00 C ATOM 804 CG1 VAL A 50 3.427 -1.559 2.622 1.00 0.00 C ATOM 805 CG2 VAL A 50 5.124 -0.443 1.182 1.00 0.00 C ATOM 0 H VAL A 50 2.871 -0.676 -1.586 1.00 0.00 H new ATOM 0 HA VAL A 50 3.911 -2.726 0.209 1.00 0.00 H new ATOM 0 HB VAL A 50 3.016 0.016 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.671 -0.874 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.382 -1.858 2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.063 -2.442 2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.364 0.234 2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.760 -1.326 1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.296 0.062 0.232 1.00 0.00 H new ATOM 815 N CYS A 51 1.564 -3.408 0.615 1.00 0.00 N ATOM 816 CA CYS A 51 0.188 -3.867 0.761 1.00 0.00 C ATOM 817 C CYS A 51 -0.385 -3.349 2.075 1.00 0.00 C ATOM 818 O CYS A 51 0.144 -3.636 3.150 1.00 0.00 O ATOM 819 CB CYS A 51 0.128 -5.396 0.764 1.00 0.00 C ATOM 820 SG CYS A 51 -0.005 -6.003 -0.936 1.00 0.00 S ATOM 0 H CYS A 51 2.272 -4.105 0.848 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.394 -3.488 -0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.021 -5.804 1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.726 -5.735 1.350 1.00 0.00 H new ATOM 825 N ALA A 52 -1.461 -2.577 1.985 1.00 0.00 N ATOM 826 CA ALA A 52 -2.078 -2.022 3.186 1.00 0.00 C ATOM 827 C ALA A 52 -3.599 -2.090 3.094 1.00 0.00 C ATOM 828 O ALA A 52 -4.201 -1.622 2.127 1.00 0.00 O ATOM 829 CB ALA A 52 -1.648 -0.567 3.378 1.00 0.00 C ATOM 0 H ALA A 52 -1.919 -2.323 1.110 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.748 -2.615 4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.115 -0.165 4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.564 -0.518 3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.958 0.021 2.514 1.00 0.00 H new ATOM 835 N ASP A 53 -4.211 -2.677 4.118 1.00 0.00 N ATOM 836 CA ASP A 53 -5.664 -2.800 4.155 1.00 0.00 C ATOM 837 C ASP A 53 -6.281 -1.543 4.759 1.00 0.00 C ATOM 838 O ASP A 53 -5.812 -1.031 5.775 1.00 0.00 O ATOM 839 CB ASP A 53 -6.080 -4.013 4.990 1.00 0.00 C ATOM 840 CG ASP A 53 -6.156 -5.245 4.096 1.00 0.00 C ATOM 841 OD1 ASP A 53 -6.614 -5.110 2.973 1.00 0.00 O ATOM 842 OD2 ASP A 53 -5.756 -6.306 4.546 1.00 0.00 O ATOM 0 H ASP A 53 -3.729 -3.071 4.926 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.020 -2.929 3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.362 -4.178 5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.047 -3.831 5.459 1.00 0.00 H new ATOM 847 N LYS A 54 -7.338 -1.051 4.120 1.00 0.00 N ATOM 848 CA LYS A 54 -8.017 0.153 4.599 1.00 0.00 C ATOM 849 C LYS A 54 -8.522 -0.032 6.032 1.00 0.00 C ATOM 850 O LYS A 54 -8.707 0.939 6.766 1.00 0.00 O ATOM 851 CB LYS A 54 -9.203 0.493 3.695 1.00 0.00 C ATOM 852 CG LYS A 54 -10.135 -0.717 3.597 1.00 0.00 C ATOM 853 CD LYS A 54 -11.550 -0.245 3.257 1.00 0.00 C ATOM 854 CE LYS A 54 -11.746 -0.269 1.739 1.00 0.00 C ATOM 855 NZ LYS A 54 -11.830 -1.681 1.272 1.00 0.00 N ATOM 0 H LYS A 54 -7.741 -1.461 3.278 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.293 0.968 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.744 1.351 4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.849 0.774 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.776 -1.405 2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.139 -1.263 4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.285 -0.889 3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.710 0.763 3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.655 0.269 1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.917 0.240 1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.392 -1.725 0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.873 -2.043 1.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.284 -2.263 2.005 1.00 0.00 H new ATOM 869 N SER A 55 -8.743 -1.289 6.425 1.00 0.00 N ATOM 870 CA SER A 55 -9.227 -1.585 7.774 1.00 0.00 C ATOM 871 C SER A 55 -8.290 -1.003 8.832 1.00 0.00 C ATOM 872 O SER A 55 -8.713 -0.667 9.938 1.00 0.00 O ATOM 873 CB SER A 55 -9.336 -3.092 7.980 1.00 0.00 C ATOM 874 OG SER A 55 -9.577 -3.365 9.355 1.00 0.00 O ATOM 0 H SER A 55 -8.596 -2.109 5.836 1.00 0.00 H new ATOM 0 HA SER A 55 -10.211 -1.128 7.881 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.145 -3.496 7.371 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.418 -3.582 7.656 1.00 0.00 H new ATOM 0 HG SER A 55 -9.649 -4.333 9.489 1.00 0.00 H new ATOM 880 N LYS A 56 -7.011 -0.886 8.479 1.00 0.00 N ATOM 881 CA LYS A 56 -6.022 -0.341 9.407 1.00 0.00 C ATOM 882 C LYS A 56 -6.376 1.097 9.778 1.00 0.00 C ATOM 883 O LYS A 56 -7.427 1.611 9.392 1.00 0.00 O ATOM 884 CB LYS A 56 -4.628 -0.366 8.778 1.00 0.00 C ATOM 885 CG LYS A 56 -4.274 -1.799 8.376 1.00 0.00 C ATOM 886 CD LYS A 56 -3.639 -2.522 9.566 1.00 0.00 C ATOM 887 CE LYS A 56 -2.258 -1.927 9.847 1.00 0.00 C ATOM 888 NZ LYS A 56 -1.432 -2.920 10.592 1.00 0.00 N ATOM 0 H LYS A 56 -6.639 -1.157 7.569 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.025 -0.959 10.305 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.600 0.285 7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.892 0.017 9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.170 -2.328 8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.585 -1.791 7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.275 -2.424 10.446 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.551 -3.587 9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.768 -1.660 8.911 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.356 -1.010 10.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.493 -2.516 10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.898 -3.154 11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.328 -3.783 10.021 1.00 0.00 H new ATOM 902 N ASP A 57 -5.488 1.739 10.532 1.00 0.00 N ATOM 903 CA ASP A 57 -5.718 3.119 10.951 1.00 0.00 C ATOM 904 C ASP A 57 -4.933 4.086 10.072 1.00 0.00 C ATOM 905 O ASP A 57 -5.509 4.927 9.382 1.00 0.00 O ATOM 906 CB ASP A 57 -5.294 3.313 12.408 1.00 0.00 C ATOM 907 CG ASP A 57 -6.405 2.827 13.332 1.00 0.00 C ATOM 908 OD1 ASP A 57 -6.638 1.629 13.366 1.00 0.00 O ATOM 909 OD2 ASP A 57 -7.007 3.657 13.992 1.00 0.00 O ATOM 0 H ASP A 57 -4.613 1.332 10.862 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.784 3.325 10.851 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.375 2.762 12.606 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.082 4.365 12.599 1.00 0.00 H new ATOM 914 N TRP A 58 -3.608 3.963 10.109 1.00 0.00 N ATOM 915 CA TRP A 58 -2.751 4.840 9.312 1.00 0.00 C ATOM 916 C TRP A 58 -3.070 4.705 7.824 1.00 0.00 C ATOM 917 O TRP A 58 -2.905 5.652 7.055 1.00 0.00 O ATOM 918 CB TRP A 58 -1.265 4.537 9.548 1.00 0.00 C ATOM 919 CG TRP A 58 -0.961 3.092 9.286 1.00 0.00 C ATOM 920 CD1 TRP A 58 -1.103 2.091 10.186 1.00 0.00 C ATOM 921 CD2 TRP A 58 -0.436 2.476 8.073 1.00 0.00 C ATOM 922 NE1 TRP A 58 -0.706 0.903 9.602 1.00 0.00 N ATOM 923 CE2 TRP A 58 -0.287 1.086 8.298 1.00 0.00 C ATOM 924 CE3 TRP A 58 -0.083 2.982 6.810 1.00 0.00 C ATOM 925 CZ2 TRP A 58 0.200 0.230 7.306 1.00 0.00 C ATOM 926 CZ3 TRP A 58 0.407 2.125 5.811 1.00 0.00 C ATOM 927 CH2 TRP A 58 0.548 0.753 6.058 1.00 0.00 C ATOM 0 H TRP A 58 -3.109 3.275 10.673 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.951 5.863 9.630 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -0.655 5.164 8.898 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.998 4.788 10.575 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -1.467 2.203 11.197 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.721 0.000 10.076 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.189 4.037 6.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.306 -0.827 7.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.677 2.526 4.845 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.925 0.100 5.285 1.00 0.00 H new ATOM 938 N VAL A 59 -3.542 3.527 7.430 1.00 0.00 N ATOM 939 CA VAL A 59 -3.897 3.295 6.033 1.00 0.00 C ATOM 940 C VAL A 59 -5.166 4.067 5.685 1.00 0.00 C ATOM 941 O VAL A 59 -5.335 4.542 4.562 1.00 0.00 O ATOM 942 CB VAL A 59 -4.129 1.804 5.779 1.00 0.00 C ATOM 943 CG1 VAL A 59 -4.349 1.562 4.284 1.00 0.00 C ATOM 944 CG2 VAL A 59 -2.903 1.017 6.246 1.00 0.00 C ATOM 0 H VAL A 59 -3.686 2.728 8.047 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.074 3.639 5.407 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.010 1.475 6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.514 0.499 4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.220 2.125 3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.470 1.890 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.063 -0.046 6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.025 1.350 5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.746 1.186 7.311 1.00 0.00 H new ATOM 954 N LYS A 60 -6.054 4.187 6.668 1.00 0.00 N ATOM 955 CA LYS A 60 -7.309 4.903 6.470 1.00 0.00 C ATOM 956 C LYS A 60 -7.046 6.383 6.211 1.00 0.00 C ATOM 957 O LYS A 60 -7.616 6.980 5.298 1.00 0.00 O ATOM 958 CB LYS A 60 -8.200 4.764 7.706 1.00 0.00 C ATOM 959 CG LYS A 60 -9.651 5.068 7.328 1.00 0.00 C ATOM 960 CD LYS A 60 -10.586 4.518 8.407 1.00 0.00 C ATOM 961 CE LYS A 60 -11.971 5.148 8.253 1.00 0.00 C ATOM 962 NZ LYS A 60 -12.971 4.337 9.004 1.00 0.00 N ATOM 0 H LYS A 60 -5.929 3.800 7.603 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.812 4.469 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.123 3.755 8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.866 5.447 8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.793 6.144 7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.888 4.619 6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.657 3.434 8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.184 4.736 9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.961 6.171 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.245 5.198 7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.913 4.765 8.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.987 3.368 8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.712 4.312 10.011 1.00 0.00 H new ATOM 976 N LYS A 61 -6.174 6.969 7.028 1.00 0.00 N ATOM 977 CA LYS A 61 -5.839 8.385 6.884 1.00 0.00 C ATOM 978 C LYS A 61 -5.242 8.658 5.507 1.00 0.00 C ATOM 979 O LYS A 61 -5.600 9.629 4.841 1.00 0.00 O ATOM 980 CB LYS A 61 -4.835 8.812 7.956 1.00 0.00 C ATOM 981 CG LYS A 61 -5.568 9.047 9.278 1.00 0.00 C ATOM 982 CD LYS A 61 -4.690 9.886 10.208 1.00 0.00 C ATOM 983 CE LYS A 61 -4.956 9.486 11.660 1.00 0.00 C ATOM 984 NZ LYS A 61 -3.800 9.892 12.508 1.00 0.00 N ATOM 0 H LYS A 61 -5.691 6.492 7.789 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.759 8.958 7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.073 8.043 8.082 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.321 9.722 7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.514 9.557 9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.806 8.093 9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.638 9.736 9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.902 10.946 10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.868 9.963 12.018 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.111 8.409 11.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.981 9.620 13.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.938 9.417 12.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.673 10.923 12.451 1.00 0.00 H new ATOM 998 N LEU A 62 -4.332 7.784 5.083 1.00 0.00 N ATOM 999 CA LEU A 62 -3.696 7.936 3.777 1.00 0.00 C ATOM 1000 C LEU A 62 -4.741 7.863 2.673 1.00 0.00 C ATOM 1001 O LEU A 62 -4.714 8.629 1.713 1.00 0.00 O ATOM 1002 CB LEU A 62 -2.673 6.828 3.546 1.00 0.00 C ATOM 1003 CG LEU A 62 -1.485 6.826 4.507 1.00 0.00 C ATOM 1004 CD1 LEU A 62 -0.974 5.396 4.674 1.00 0.00 C ATOM 1005 CD2 LEU A 62 -0.367 7.704 3.938 1.00 0.00 C ATOM 0 H LEU A 62 -4.021 6.973 5.617 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.198 8.905 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.181 5.866 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.295 6.912 2.527 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.797 7.218 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.126 5.390 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.770 4.770 5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.661 5.006 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.481 7.703 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.053 7.311 2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.732 8.723 3.814 1.00 0.00 H new ATOM 1017 N MET A 63 -5.663 6.920 2.828 1.00 0.00 N ATOM 1018 CA MET A 63 -6.732 6.727 1.846 1.00 0.00 C ATOM 1019 C MET A 63 -7.495 8.029 1.602 1.00 0.00 C ATOM 1020 O MET A 63 -7.947 8.301 0.490 1.00 0.00 O ATOM 1021 CB MET A 63 -7.717 5.664 2.334 1.00 0.00 C ATOM 1022 CG MET A 63 -7.171 4.270 2.007 1.00 0.00 C ATOM 1023 SD MET A 63 -8.537 3.160 1.583 1.00 0.00 S ATOM 1024 CE MET A 63 -7.937 2.689 -0.058 1.00 0.00 C ATOM 0 H MET A 63 -5.695 6.278 3.620 1.00 0.00 H new ATOM 0 HA MET A 63 -6.268 6.403 0.914 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.871 5.762 3.409 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.687 5.807 1.858 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.468 4.330 1.176 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.621 3.875 2.861 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.768 2.315 -0.656 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.499 3.558 -0.549 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.182 1.909 0.041 1.00 0.00 H new ATOM 1034 N GLN A 64 -7.634 8.828 2.657 1.00 0.00 N ATOM 1035 CA GLN A 64 -8.347 10.099 2.546 1.00 0.00 C ATOM 1036 C GLN A 64 -7.373 11.242 2.264 1.00 0.00 C ATOM 1037 O GLN A 64 -7.714 12.215 1.591 1.00 0.00 O ATOM 1038 CB GLN A 64 -9.104 10.402 3.841 1.00 0.00 C ATOM 1039 CG GLN A 64 -10.502 9.784 3.770 1.00 0.00 C ATOM 1040 CD GLN A 64 -11.346 10.298 4.932 1.00 0.00 C ATOM 1041 OE1 GLN A 64 -11.542 9.596 5.924 1.00 0.00 O ATOM 1042 NE2 GLN A 64 -11.862 11.495 4.867 1.00 0.00 N ATOM 0 H GLN A 64 -7.268 8.623 3.587 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.053 10.013 1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -8.560 10.000 4.696 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.178 11.479 3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.976 10.039 2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.433 8.697 3.810 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.699 12.076 4.045 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.428 11.849 5.638 1.00 0.00 H new ATOM 1051 N GLN A 65 -6.159 11.114 2.791 1.00 0.00 N ATOM 1052 CA GLN A 65 -5.139 12.141 2.597 1.00 0.00 C ATOM 1053 C GLN A 65 -4.598 12.112 1.169 1.00 0.00 C ATOM 1054 O GLN A 65 -4.174 13.135 0.632 1.00 0.00 O ATOM 1055 CB GLN A 65 -3.980 11.923 3.572 1.00 0.00 C ATOM 1056 CG GLN A 65 -4.302 12.594 4.910 1.00 0.00 C ATOM 1057 CD GLN A 65 -3.026 13.171 5.514 1.00 0.00 C ATOM 1058 OE1 GLN A 65 -2.775 14.373 5.421 1.00 0.00 O ATOM 1059 NE2 GLN A 65 -2.195 12.377 6.132 1.00 0.00 N ATOM 0 H GLN A 65 -5.858 10.316 3.351 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.602 13.110 2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.811 10.856 3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.060 12.337 3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.037 13.385 4.764 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.745 11.870 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.403 11.381 6.209 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.338 12.752 6.538 1.00 0.00 H new ATOM 1068 N LEU A 66 -4.611 10.928 0.563 1.00 0.00 N ATOM 1069 CA LEU A 66 -4.115 10.771 -0.799 1.00 0.00 C ATOM 1070 C LEU A 66 -5.281 10.794 -1.793 1.00 0.00 C ATOM 1071 O LEU A 66 -6.428 10.563 -1.408 1.00 0.00 O ATOM 1072 CB LEU A 66 -3.361 9.444 -0.927 1.00 0.00 C ATOM 1073 CG LEU A 66 -2.214 9.257 0.069 1.00 0.00 C ATOM 1074 CD1 LEU A 66 -1.533 7.910 -0.181 1.00 0.00 C ATOM 1075 CD2 LEU A 66 -1.194 10.385 -0.112 1.00 0.00 C ATOM 0 H LEU A 66 -4.957 10.069 0.991 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.439 11.596 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.070 8.626 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.961 9.366 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.608 9.281 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.716 7.778 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.258 7.106 -0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.138 7.885 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.376 10.253 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.801 10.360 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.678 11.345 0.067 1.00 0.00 H new ATOM 1087 N PRO A 67 -5.016 11.071 -3.081 1.00 0.00 N ATOM 1088 CA PRO A 67 -6.086 11.110 -4.098 1.00 0.00 C ATOM 1089 C PRO A 67 -6.553 9.719 -4.506 1.00 0.00 C ATOM 1090 O PRO A 67 -7.727 9.392 -4.350 1.00 0.00 O ATOM 1091 CB PRO A 67 -5.412 11.827 -5.261 1.00 0.00 C ATOM 1092 CG PRO A 67 -3.910 11.651 -5.090 1.00 0.00 C ATOM 1093 CD PRO A 67 -3.656 11.351 -3.611 1.00 0.00 C ATOM 0 HA PRO A 67 -6.989 11.603 -3.738 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.742 11.411 -6.213 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.677 12.884 -5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.544 10.837 -5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.379 12.552 -5.397 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.990 10.498 -3.482 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.192 12.196 -3.103 1.00 0.00 H new ATOM 1101 N VAL A 68 -5.588 8.933 -5.019 1.00 0.00 N ATOM 1102 CA VAL A 68 -5.774 7.533 -5.484 1.00 0.00 C ATOM 1103 C VAL A 68 -5.397 7.420 -6.964 1.00 0.00 C ATOM 1104 O VAL A 68 -5.414 8.405 -7.702 1.00 0.00 O ATOM 1105 CB VAL A 68 -7.201 6.973 -5.255 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -8.199 7.545 -6.273 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -7.174 5.449 -5.379 1.00 0.00 C ATOM 0 H VAL A 68 -4.627 9.258 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.110 6.921 -4.873 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.524 7.267 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.189 7.131 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.235 8.630 -6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.882 7.280 -7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.177 5.053 -5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.829 5.171 -6.375 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.496 5.035 -4.632 1.00 0.00 H new ATOM 1117 N THR A 69 -5.052 6.207 -7.381 1.00 0.00 N ATOM 1118 CA THR A 69 -4.667 5.969 -8.771 1.00 0.00 C ATOM 1119 C THR A 69 -5.852 6.205 -9.702 1.00 0.00 C ATOM 1120 O THR A 69 -5.702 6.768 -10.787 1.00 0.00 O ATOM 1121 CB THR A 69 -4.169 4.532 -8.950 1.00 0.00 C ATOM 1122 OG1 THR A 69 -4.820 3.688 -8.011 1.00 0.00 O ATOM 1123 CG2 THR A 69 -2.657 4.480 -8.723 1.00 0.00 C ATOM 0 H THR A 69 -5.030 5.380 -6.785 1.00 0.00 H new ATOM 0 HA THR A 69 -3.866 6.665 -9.022 1.00 0.00 H new ATOM 0 HB THR A 69 -4.393 4.193 -9.962 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.322 2.995 -8.488 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.305 3.456 -8.851 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.158 5.128 -9.444 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.429 4.819 -7.712 1.00 0.00 H new ATOM 1131 N ALA A 70 -7.032 5.769 -9.262 1.00 0.00 N ATOM 1132 CA ALA A 70 -8.253 5.930 -10.055 1.00 0.00 C ATOM 1133 C ALA A 70 -8.173 5.106 -11.340 1.00 0.00 C ATOM 1134 O ALA A 70 -8.774 4.036 -11.444 1.00 0.00 O ATOM 1135 CB ALA A 70 -8.487 7.407 -10.404 1.00 0.00 C ATOM 0 H ALA A 70 -7.170 5.303 -8.365 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.090 5.573 -9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.399 7.502 -10.993 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.586 7.986 -9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.642 7.783 -10.981 1.00 0.00 H new ATOM 1141 N ARG A 71 -7.424 5.612 -12.318 1.00 0.00 N ATOM 1142 CA ARG A 71 -7.272 4.913 -13.593 1.00 0.00 C ATOM 1143 C ARG A 71 -8.626 4.749 -14.277 1.00 0.00 C ATOM 1144 O ARG A 71 -9.377 3.881 -13.863 1.00 0.00 O ATOM 1145 CB ARG A 71 -6.651 3.530 -13.379 1.00 0.00 C ATOM 1146 CG ARG A 71 -6.297 2.913 -14.732 1.00 0.00 C ATOM 1147 CD ARG A 71 -6.488 1.397 -14.670 1.00 0.00 C ATOM 1148 NE ARG A 71 -5.759 0.830 -13.533 1.00 0.00 N ATOM 1149 CZ ARG A 71 -6.027 -0.392 -13.050 1.00 0.00 C ATOM 1150 NH1 ARG A 71 -6.964 -1.142 -13.580 1.00 0.00 N ATOM 1151 NH2 ARG A 71 -5.344 -0.844 -12.034 1.00 0.00 N ATOM 1152 OXT ARG A 71 -8.891 5.494 -15.206 1.00 0.00 O ATOM 0 H ARG A 71 -6.917 6.495 -12.254 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.615 5.510 -14.225 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.757 3.613 -12.761 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.349 2.885 -12.845 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.928 3.338 -15.513 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.265 3.149 -14.992 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.549 1.162 -14.582 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.137 0.943 -15.597 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.023 1.383 -13.094 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.504 -0.798 -14.374 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.152 -2.069 -13.198 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.614 -0.269 -11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.541 -1.772 -11.660 1.00 0.00 H new TER 1166 ARG A 71