USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 622 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 TYR OH : rot 0:sc= 0.937 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0752 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0447 X(o=-0.045,f=-0.31) USER MOD Single : A 14 GLN : amide:sc= -0.113 K(o=-0.11,f=-4.8!) USER MOD Single : A 15 SER OG : rot -160:sc= -1.08 USER MOD Single : A 19 GLN : amide:sc= -0.97 K(o=-0.97,f=-0.28) USER MOD Single : A 24 LYS NZ :NH3+ 139:sc= -1.28 (180deg=-4.37!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 35 THR OG1 : rot 130:sc= -0.864 USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= -1.34 (180deg=-2.01) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.806 X(o=-0.81,f=-0.56) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -3.637 11.403 5.605 1.00 0.00 N ATOM 19 CA ARG A 2 -4.640 10.534 6.294 1.00 0.00 C ATOM 20 C ARG A 2 -4.129 9.093 6.315 1.00 0.00 C ATOM 21 O ARG A 2 -3.152 8.764 5.670 1.00 0.00 O ATOM 22 CB ARG A 2 -5.996 10.579 5.564 1.00 0.00 C ATOM 23 CG ARG A 2 -6.275 11.985 5.014 1.00 0.00 C ATOM 24 CD ARG A 2 -6.463 12.963 6.176 1.00 0.00 C ATOM 25 NE ARG A 2 -5.811 14.266 5.842 1.00 0.00 N ATOM 26 CZ ARG A 2 -5.539 15.158 6.772 1.00 0.00 C ATOM 27 NH1 ARG A 2 -5.825 14.944 8.037 1.00 0.00 N ATOM 28 NH2 ARG A 2 -4.972 16.284 6.431 1.00 0.00 N ATOM 0 HA ARG A 2 -4.778 10.901 7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.998 9.857 4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.792 10.287 6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.448 12.310 4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.168 11.971 4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.525 13.115 6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.029 12.550 7.087 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.571 14.469 4.872 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.269 14.070 8.319 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.603 15.652 8.737 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.745 16.465 5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.757 16.982 7.142 1.00 0.00 H new ATOM 42 N LEU A 3 -4.786 8.235 7.053 1.00 0.00 N ATOM 43 CA LEU A 3 -4.349 6.810 7.126 1.00 0.00 C ATOM 44 C LEU A 3 -5.398 5.918 6.459 1.00 0.00 C ATOM 45 O LEU A 3 -6.282 5.395 7.111 1.00 0.00 O ATOM 46 CB LEU A 3 -4.189 6.401 8.591 1.00 0.00 C ATOM 47 CG LEU A 3 -3.250 7.381 9.299 1.00 0.00 C ATOM 48 CD1 LEU A 3 -4.072 8.478 9.981 1.00 0.00 C ATOM 49 CD2 LEU A 3 -2.431 6.631 10.353 1.00 0.00 C ATOM 0 H LEU A 3 -5.610 8.462 7.610 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.396 6.696 6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.161 6.392 9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.790 5.389 8.655 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.579 7.832 8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.402 9.175 10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.656 9.013 9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.744 8.028 10.712 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.762 7.328 10.858 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.103 6.180 11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.844 5.850 9.870 1.00 0.00 H new ATOM 61 N PHE A 4 -5.301 5.741 5.165 1.00 0.00 N ATOM 62 CA PHE A 4 -6.287 4.882 4.445 1.00 0.00 C ATOM 63 C PHE A 4 -5.812 3.429 4.478 1.00 0.00 C ATOM 64 O PHE A 4 -4.626 3.156 4.503 1.00 0.00 O ATOM 65 CB PHE A 4 -6.403 5.347 2.991 1.00 0.00 C ATOM 66 CG PHE A 4 -7.395 6.482 2.902 1.00 0.00 C ATOM 67 CD1 PHE A 4 -7.115 7.707 3.518 1.00 0.00 C ATOM 68 CD2 PHE A 4 -8.595 6.310 2.201 1.00 0.00 C ATOM 69 CE1 PHE A 4 -8.035 8.760 3.436 1.00 0.00 C ATOM 70 CE2 PHE A 4 -9.515 7.362 2.120 1.00 0.00 C ATOM 71 CZ PHE A 4 -9.234 8.587 2.736 1.00 0.00 C ATOM 0 H PHE A 4 -4.579 6.156 4.576 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.260 4.959 4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.430 5.671 2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.723 4.520 2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.189 7.841 4.057 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.811 5.366 1.723 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.819 9.705 3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.442 7.228 1.582 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.943 9.399 2.671 1.00 0.00 H new ATOM 81 N GLY A 5 -6.730 2.495 4.478 1.00 0.00 N ATOM 82 CA GLY A 5 -6.339 1.057 4.510 1.00 0.00 C ATOM 83 C GLY A 5 -7.222 0.254 3.553 1.00 0.00 C ATOM 84 O GLY A 5 -8.429 0.207 3.697 1.00 0.00 O ATOM 0 H GLY A 5 -7.735 2.669 4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.292 0.950 4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.438 0.667 5.523 1.00 0.00 H new ATOM 88 N TYR A 6 -6.621 -0.380 2.578 1.00 0.00 N ATOM 89 CA TYR A 6 -7.405 -1.192 1.603 1.00 0.00 C ATOM 90 C TYR A 6 -7.603 -2.602 2.177 1.00 0.00 C ATOM 91 O TYR A 6 -6.737 -3.129 2.852 1.00 0.00 O ATOM 92 CB TYR A 6 -6.635 -1.255 0.273 1.00 0.00 C ATOM 93 CG TYR A 6 -7.357 -2.138 -0.728 1.00 0.00 C ATOM 94 CD1 TYR A 6 -8.742 -2.025 -0.901 1.00 0.00 C ATOM 95 CD2 TYR A 6 -6.633 -3.072 -1.478 1.00 0.00 C ATOM 96 CE1 TYR A 6 -9.399 -2.845 -1.823 1.00 0.00 C ATOM 97 CE2 TYR A 6 -7.292 -3.892 -2.400 1.00 0.00 C ATOM 98 CZ TYR A 6 -8.674 -3.780 -2.572 1.00 0.00 C ATOM 99 OH TYR A 6 -9.326 -4.588 -3.480 1.00 0.00 O ATOM 0 H TYR A 6 -5.614 -0.369 2.416 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.381 -0.741 1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.524 -0.251 -0.136 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.631 -1.641 0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -9.302 -1.305 -0.323 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.565 -3.160 -1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.467 -2.757 -1.958 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.732 -4.612 -2.979 1.00 0.00 H new ATOM 0 HH TYR A 6 -10.284 -4.380 -3.474 1.00 0.00 H new ATOM 109 N ALA A 7 -8.738 -3.213 1.922 1.00 0.00 N ATOM 110 CA ALA A 7 -8.990 -4.582 2.464 1.00 0.00 C ATOM 111 C ALA A 7 -9.938 -5.358 1.538 1.00 0.00 C ATOM 112 O ALA A 7 -10.731 -4.785 0.817 1.00 0.00 O ATOM 113 CB ALA A 7 -9.623 -4.465 3.855 1.00 0.00 C ATOM 0 H ALA A 7 -9.496 -2.821 1.363 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.043 -5.118 2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.809 -5.462 4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.946 -3.928 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.565 -3.922 3.781 1.00 0.00 H new ATOM 119 N ARG A 8 -9.864 -6.665 1.577 1.00 0.00 N ATOM 120 CA ARG A 8 -10.757 -7.514 0.729 1.00 0.00 C ATOM 121 C ARG A 8 -11.063 -8.799 1.500 1.00 0.00 C ATOM 122 O ARG A 8 -10.183 -9.388 2.100 1.00 0.00 O ATOM 123 CB ARG A 8 -10.058 -7.851 -0.600 1.00 0.00 C ATOM 124 CG ARG A 8 -10.979 -7.492 -1.777 1.00 0.00 C ATOM 125 CD ARG A 8 -10.955 -8.600 -2.833 1.00 0.00 C ATOM 126 NE ARG A 8 -9.543 -8.990 -3.140 1.00 0.00 N ATOM 127 CZ ARG A 8 -8.794 -8.279 -3.958 1.00 0.00 C ATOM 128 NH1 ARG A 8 -9.238 -7.177 -4.518 1.00 0.00 N ATOM 129 NH2 ARG A 8 -7.578 -8.677 -4.210 1.00 0.00 N ATOM 0 H ARG A 8 -9.215 -7.186 2.167 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.681 -6.981 0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.121 -7.300 -0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.808 -8.912 -0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.998 -7.346 -1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.659 -6.550 -2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.510 -9.467 -2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.451 -8.258 -3.741 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.151 -9.826 -2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.185 -6.852 -4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.636 -6.646 -5.147 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.220 -9.528 -3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.985 -8.138 -4.841 1.00 0.00 H new ATOM 143 N VAL A 9 -12.302 -9.226 1.511 1.00 0.00 N ATOM 144 CA VAL A 9 -12.656 -10.460 2.270 1.00 0.00 C ATOM 145 C VAL A 9 -12.588 -11.690 1.363 1.00 0.00 C ATOM 146 O VAL A 9 -13.054 -11.679 0.239 1.00 0.00 O ATOM 147 CB VAL A 9 -14.062 -10.325 2.864 1.00 0.00 C ATOM 148 CG1 VAL A 9 -14.096 -9.135 3.820 1.00 0.00 C ATOM 149 CG2 VAL A 9 -15.088 -10.105 1.751 1.00 0.00 C ATOM 0 H VAL A 9 -13.079 -8.774 1.029 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.936 -10.586 3.079 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.308 -11.241 3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -15.095 -9.037 4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -13.375 -9.292 4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.841 -8.225 3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -16.083 -10.011 2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.843 -9.194 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.070 -10.953 1.067 1.00 0.00 H new ATOM 159 N SER A 10 -12.011 -12.752 1.860 1.00 0.00 N ATOM 160 CA SER A 10 -11.903 -14.004 1.060 1.00 0.00 C ATOM 161 C SER A 10 -12.724 -15.107 1.738 1.00 0.00 C ATOM 162 O SER A 10 -13.268 -15.976 1.082 1.00 0.00 O ATOM 163 CB SER A 10 -10.438 -14.434 0.978 1.00 0.00 C ATOM 164 OG SER A 10 -10.270 -15.322 -0.118 1.00 0.00 O ATOM 0 H SER A 10 -11.607 -12.804 2.795 1.00 0.00 H new ATOM 0 HA SER A 10 -12.284 -13.830 0.054 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.797 -13.561 0.855 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.138 -14.922 1.905 1.00 0.00 H new ATOM 0 HG SER A 10 -9.331 -15.598 -0.174 1.00 0.00 H new ATOM 170 N THR A 11 -12.817 -15.074 3.045 1.00 0.00 N ATOM 171 CA THR A 11 -13.602 -16.115 3.771 1.00 0.00 C ATOM 172 C THR A 11 -15.020 -15.598 4.029 1.00 0.00 C ATOM 173 O THR A 11 -15.278 -14.411 3.966 1.00 0.00 O ATOM 174 CB THR A 11 -12.917 -16.443 5.105 1.00 0.00 C ATOM 175 OG1 THR A 11 -13.696 -17.399 5.812 1.00 0.00 O ATOM 176 CG2 THR A 11 -12.778 -15.174 5.949 1.00 0.00 C ATOM 0 H THR A 11 -12.382 -14.369 3.640 1.00 0.00 H new ATOM 0 HA THR A 11 -13.653 -17.019 3.164 1.00 0.00 H new ATOM 0 HB THR A 11 -11.925 -16.850 4.908 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.260 -17.611 6.663 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.291 -15.417 6.893 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.178 -14.442 5.409 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.766 -14.758 6.147 1.00 0.00 H new ATOM 184 N SER A 12 -15.939 -16.484 4.319 1.00 0.00 N ATOM 185 CA SER A 12 -17.343 -16.055 4.584 1.00 0.00 C ATOM 186 C SER A 12 -17.642 -16.181 6.077 1.00 0.00 C ATOM 187 O SER A 12 -18.070 -17.219 6.548 1.00 0.00 O ATOM 188 CB SER A 12 -18.304 -16.945 3.793 1.00 0.00 C ATOM 189 OG SER A 12 -18.335 -16.516 2.439 1.00 0.00 O ATOM 0 H SER A 12 -15.775 -17.489 4.383 1.00 0.00 H new ATOM 0 HA SER A 12 -17.471 -15.017 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 12 -17.984 -17.985 3.850 1.00 0.00 H new ATOM 0 HB3 SER A 12 -19.303 -16.895 4.225 1.00 0.00 H new ATOM 0 HG SER A 12 -18.949 -17.085 1.929 1.00 0.00 H new ATOM 195 N GLN A 13 -17.421 -15.129 6.826 1.00 0.00 N ATOM 196 CA GLN A 13 -17.689 -15.177 8.294 1.00 0.00 C ATOM 197 C GLN A 13 -17.431 -13.797 8.903 1.00 0.00 C ATOM 198 O GLN A 13 -18.298 -13.214 9.527 1.00 0.00 O ATOM 199 CB GLN A 13 -16.761 -16.202 8.949 1.00 0.00 C ATOM 200 CG GLN A 13 -17.228 -16.471 10.382 1.00 0.00 C ATOM 201 CD GLN A 13 -18.220 -17.636 10.385 1.00 0.00 C ATOM 202 OE1 GLN A 13 -17.936 -18.694 9.861 1.00 0.00 O ATOM 203 NE2 GLN A 13 -19.383 -17.484 10.960 1.00 0.00 N ATOM 0 H GLN A 13 -17.065 -14.237 6.482 1.00 0.00 H new ATOM 0 HA GLN A 13 -18.727 -15.464 8.465 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.762 -17.129 8.375 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -15.736 -15.831 8.953 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.373 -16.706 11.016 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.697 -15.579 10.796 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -19.622 -16.596 11.400 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -20.052 -18.254 10.969 1.00 0.00 H new ATOM 212 N GLN A 14 -16.245 -13.275 8.725 1.00 0.00 N ATOM 213 CA GLN A 14 -15.919 -11.934 9.290 1.00 0.00 C ATOM 214 C GLN A 14 -14.561 -11.474 8.755 1.00 0.00 C ATOM 215 O GLN A 14 -13.788 -10.849 9.457 1.00 0.00 O ATOM 216 CB GLN A 14 -15.860 -12.023 10.817 1.00 0.00 C ATOM 217 CG GLN A 14 -14.892 -13.136 11.228 1.00 0.00 C ATOM 218 CD GLN A 14 -14.366 -12.860 12.638 1.00 0.00 C ATOM 219 OE1 GLN A 14 -13.196 -12.591 12.821 1.00 0.00 O ATOM 220 NE2 GLN A 14 -15.189 -12.915 13.649 1.00 0.00 N ATOM 0 H GLN A 14 -15.486 -13.722 8.211 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.688 -11.220 8.997 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.534 -11.071 11.235 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.853 -12.224 11.219 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.398 -14.101 11.199 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.062 -13.190 10.523 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.172 -13.141 13.495 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.850 -12.732 14.593 1.00 0.00 H new ATOM 229 N SER A 15 -14.265 -11.783 7.519 1.00 0.00 N ATOM 230 CA SER A 15 -12.955 -11.372 6.928 1.00 0.00 C ATOM 231 C SER A 15 -12.847 -9.844 6.928 1.00 0.00 C ATOM 232 O SER A 15 -11.795 -9.290 7.182 1.00 0.00 O ATOM 233 CB SER A 15 -12.835 -11.897 5.489 1.00 0.00 C ATOM 234 OG SER A 15 -14.011 -12.616 5.135 1.00 0.00 O ATOM 0 H SER A 15 -14.876 -12.304 6.891 1.00 0.00 H new ATOM 0 HA SER A 15 -12.149 -11.794 7.528 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.686 -11.065 4.801 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.962 -12.544 5.401 1.00 0.00 H new ATOM 0 HG SER A 15 -13.817 -13.208 4.379 1.00 0.00 H new ATOM 240 N LEU A 16 -13.932 -9.160 6.649 1.00 0.00 N ATOM 241 CA LEU A 16 -13.899 -7.666 6.636 1.00 0.00 C ATOM 242 C LEU A 16 -13.515 -7.171 8.038 1.00 0.00 C ATOM 243 O LEU A 16 -12.742 -6.244 8.188 1.00 0.00 O ATOM 244 CB LEU A 16 -15.287 -7.133 6.213 1.00 0.00 C ATOM 245 CG LEU A 16 -15.416 -5.629 6.517 1.00 0.00 C ATOM 246 CD1 LEU A 16 -16.074 -4.912 5.337 1.00 0.00 C ATOM 247 CD2 LEU A 16 -16.275 -5.430 7.770 1.00 0.00 C ATOM 0 H LEU A 16 -14.838 -9.574 6.430 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.161 -7.300 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.438 -7.307 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -16.068 -7.682 6.739 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.422 -5.215 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.161 -3.849 5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.464 -5.046 4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.066 -5.329 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.365 -4.365 7.984 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.266 -5.852 7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.806 -5.931 8.616 1.00 0.00 H new ATOM 259 N ASP A 17 -14.044 -7.795 9.058 1.00 0.00 N ATOM 260 CA ASP A 17 -13.704 -7.381 10.449 1.00 0.00 C ATOM 261 C ASP A 17 -12.235 -7.720 10.714 1.00 0.00 C ATOM 262 O ASP A 17 -11.495 -6.933 11.272 1.00 0.00 O ATOM 263 CB ASP A 17 -14.602 -8.139 11.436 1.00 0.00 C ATOM 264 CG ASP A 17 -15.146 -7.171 12.491 1.00 0.00 C ATOM 265 OD1 ASP A 17 -14.342 -6.571 13.184 1.00 0.00 O ATOM 266 OD2 ASP A 17 -16.355 -7.049 12.584 1.00 0.00 O ATOM 0 H ASP A 17 -14.698 -8.575 8.986 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.862 -6.310 10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.427 -8.611 10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -14.036 -8.936 11.918 1.00 0.00 H new ATOM 271 N ILE A 18 -11.816 -8.890 10.308 1.00 0.00 N ATOM 272 CA ILE A 18 -10.400 -9.308 10.516 1.00 0.00 C ATOM 273 C ILE A 18 -9.475 -8.385 9.717 1.00 0.00 C ATOM 274 O ILE A 18 -8.450 -7.946 10.208 1.00 0.00 O ATOM 275 CB ILE A 18 -10.225 -10.752 10.035 1.00 0.00 C ATOM 276 CG1 ILE A 18 -11.207 -11.659 10.783 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.793 -11.222 10.307 1.00 0.00 C ATOM 278 CD1 ILE A 18 -11.558 -12.864 9.906 1.00 0.00 C ATOM 0 H ILE A 18 -12.401 -9.580 9.837 1.00 0.00 H new ATOM 0 HA ILE A 18 -10.149 -9.243 11.575 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.421 -10.800 8.964 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.766 -11.995 11.721 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.111 -11.104 11.036 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.676 -12.249 9.963 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.092 -10.579 9.775 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.591 -11.173 11.377 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.257 -13.510 10.438 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -12.016 -12.518 8.979 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.651 -13.423 9.676 1.00 0.00 H new ATOM 290 N GLN A 19 -9.826 -8.094 8.488 1.00 0.00 N ATOM 291 CA GLN A 19 -8.966 -7.207 7.652 1.00 0.00 C ATOM 292 C GLN A 19 -8.893 -5.819 8.290 1.00 0.00 C ATOM 293 O GLN A 19 -7.821 -5.281 8.489 1.00 0.00 O ATOM 294 CB GLN A 19 -9.554 -7.093 6.247 1.00 0.00 C ATOM 295 CG GLN A 19 -9.086 -8.283 5.406 1.00 0.00 C ATOM 296 CD GLN A 19 -7.616 -8.095 5.031 1.00 0.00 C ATOM 297 OE1 GLN A 19 -6.781 -8.910 5.370 1.00 0.00 O ATOM 298 NE2 GLN A 19 -7.261 -7.047 4.340 1.00 0.00 N ATOM 0 H GLN A 19 -10.672 -8.434 8.030 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.964 -7.632 7.589 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.643 -7.073 6.296 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.239 -6.158 5.783 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.214 -9.210 5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.694 -8.367 4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.962 -6.363 4.055 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.283 -6.912 4.084 1.00 0.00 H new ATOM 307 N VAL A 20 -10.026 -5.238 8.625 1.00 0.00 N ATOM 308 CA VAL A 20 -10.033 -3.880 9.266 1.00 0.00 C ATOM 309 C VAL A 20 -9.078 -3.880 10.466 1.00 0.00 C ATOM 310 O VAL A 20 -8.239 -3.010 10.607 1.00 0.00 O ATOM 311 CB VAL A 20 -11.456 -3.547 9.731 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.479 -2.168 10.400 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.396 -3.540 8.522 1.00 0.00 C ATOM 0 H VAL A 20 -10.949 -5.648 8.481 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.705 -3.130 8.547 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.783 -4.299 10.449 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.493 -1.939 10.727 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.812 -2.170 11.262 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.149 -1.412 9.687 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.408 -3.304 8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.062 -2.789 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.388 -4.522 8.049 1.00 0.00 H new ATOM 323 N ARG A 21 -9.188 -4.872 11.314 1.00 0.00 N ATOM 324 CA ARG A 21 -8.277 -4.963 12.495 1.00 0.00 C ATOM 325 C ARG A 21 -6.832 -5.056 11.992 1.00 0.00 C ATOM 326 O ARG A 21 -5.909 -4.594 12.634 1.00 0.00 O ATOM 327 CB ARG A 21 -8.609 -6.218 13.313 1.00 0.00 C ATOM 328 CG ARG A 21 -10.123 -6.302 13.571 1.00 0.00 C ATOM 329 CD ARG A 21 -10.409 -6.139 15.067 1.00 0.00 C ATOM 330 NE ARG A 21 -10.797 -4.723 15.352 1.00 0.00 N ATOM 331 CZ ARG A 21 -11.426 -4.390 16.463 1.00 0.00 C ATOM 332 NH1 ARG A 21 -11.728 -5.285 17.377 1.00 0.00 N ATOM 333 NH2 ARG A 21 -11.752 -3.143 16.663 1.00 0.00 N ATOM 0 H ARG A 21 -9.872 -5.625 11.238 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.403 -4.083 13.125 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.274 -7.107 12.779 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.072 -6.195 14.261 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.640 -5.526 13.007 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.507 -7.260 13.221 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.209 -6.814 15.370 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.527 -6.409 15.648 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.570 -3.998 14.672 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.476 -6.263 17.236 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.215 -5.001 18.227 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.520 -2.437 15.964 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.238 -2.874 17.518 1.00 0.00 H new ATOM 347 N ALA A 22 -6.641 -5.640 10.833 1.00 0.00 N ATOM 348 CA ALA A 22 -5.271 -5.759 10.265 1.00 0.00 C ATOM 349 C ALA A 22 -4.804 -4.384 9.786 1.00 0.00 C ATOM 350 O ALA A 22 -3.683 -3.982 10.034 1.00 0.00 O ATOM 351 CB ALA A 22 -5.293 -6.732 9.083 1.00 0.00 C ATOM 0 H ALA A 22 -7.382 -6.040 10.257 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.588 -6.132 11.028 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.290 -6.820 8.666 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.632 -7.710 9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.973 -6.359 8.317 1.00 0.00 H new ATOM 357 N LEU A 23 -5.660 -3.654 9.108 1.00 0.00 N ATOM 358 CA LEU A 23 -5.265 -2.298 8.622 1.00 0.00 C ATOM 359 C LEU A 23 -5.122 -1.366 9.827 1.00 0.00 C ATOM 360 O LEU A 23 -4.228 -0.542 9.881 1.00 0.00 O ATOM 361 CB LEU A 23 -6.326 -1.727 7.661 1.00 0.00 C ATOM 362 CG LEU A 23 -6.893 -2.808 6.714 1.00 0.00 C ATOM 363 CD1 LEU A 23 -7.693 -2.125 5.605 1.00 0.00 C ATOM 364 CD2 LEU A 23 -5.767 -3.630 6.074 1.00 0.00 C ATOM 0 H LEU A 23 -6.610 -3.940 8.873 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.320 -2.377 8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.140 -1.289 8.239 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.885 -0.923 7.071 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.527 -3.478 7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.098 -2.880 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.511 -1.555 6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.041 -1.452 5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.197 -4.383 5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.117 -2.971 5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.186 -4.122 6.855 1.00 0.00 H new ATOM 376 N LYS A 24 -5.995 -1.495 10.796 1.00 0.00 N ATOM 377 CA LYS A 24 -5.912 -0.624 12.006 1.00 0.00 C ATOM 378 C LYS A 24 -4.617 -0.942 12.748 1.00 0.00 C ATOM 379 O LYS A 24 -3.884 -0.055 13.144 1.00 0.00 O ATOM 380 CB LYS A 24 -7.120 -0.891 12.917 1.00 0.00 C ATOM 381 CG LYS A 24 -7.852 0.423 13.205 1.00 0.00 C ATOM 382 CD LYS A 24 -8.890 0.678 12.111 1.00 0.00 C ATOM 383 CE LYS A 24 -10.081 -0.261 12.306 1.00 0.00 C ATOM 384 NZ LYS A 24 -10.639 -0.077 13.674 1.00 0.00 N ATOM 0 H LYS A 24 -6.762 -2.167 10.800 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.919 0.426 11.714 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.798 -1.599 12.440 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.790 -1.346 13.851 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.339 0.375 14.179 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.140 1.247 13.245 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.222 1.716 12.146 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.445 0.518 11.129 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.847 -0.054 11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.769 -1.296 12.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.678 -0.093 13.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.307 -0.846 14.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.323 0.836 14.058 1.00 0.00 H new ATOM 398 N ASP A 25 -4.316 -2.207 12.915 1.00 0.00 N ATOM 399 CA ASP A 25 -3.054 -2.604 13.600 1.00 0.00 C ATOM 400 C ASP A 25 -1.874 -2.005 12.834 1.00 0.00 C ATOM 401 O ASP A 25 -0.868 -1.626 13.400 1.00 0.00 O ATOM 402 CB ASP A 25 -2.943 -4.125 13.585 1.00 0.00 C ATOM 403 CG ASP A 25 -2.087 -4.593 14.763 1.00 0.00 C ATOM 404 OD1 ASP A 25 -0.878 -4.453 14.683 1.00 0.00 O ATOM 405 OD2 ASP A 25 -2.656 -5.083 15.724 1.00 0.00 O ATOM 0 H ASP A 25 -4.897 -2.985 12.602 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.051 -2.245 14.629 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.935 -4.572 13.644 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.499 -4.457 12.646 1.00 0.00 H new ATOM 410 N ALA A 26 -2.018 -1.916 11.539 1.00 0.00 N ATOM 411 CA ALA A 26 -0.950 -1.342 10.686 1.00 0.00 C ATOM 412 C ALA A 26 -0.852 0.163 10.943 1.00 0.00 C ATOM 413 O ALA A 26 0.206 0.753 10.842 1.00 0.00 O ATOM 414 CB ALA A 26 -1.323 -1.586 9.225 1.00 0.00 C ATOM 0 H ALA A 26 -2.848 -2.224 11.032 1.00 0.00 H new ATOM 0 HA ALA A 26 0.009 -1.807 10.913 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.550 -1.171 8.578 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.410 -2.658 9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.276 -1.103 9.007 1.00 0.00 H new ATOM 420 N GLY A 27 -1.958 0.785 11.264 1.00 0.00 N ATOM 421 CA GLY A 27 -1.954 2.255 11.518 1.00 0.00 C ATOM 422 C GLY A 27 -2.980 2.906 10.595 1.00 0.00 C ATOM 423 O GLY A 27 -2.725 3.926 9.983 1.00 0.00 O ATOM 0 H GLY A 27 -2.868 0.334 11.361 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.197 2.460 12.560 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.962 2.669 11.335 1.00 0.00 H new ATOM 427 N VAL A 28 -4.136 2.308 10.485 1.00 0.00 N ATOM 428 CA VAL A 28 -5.194 2.856 9.599 1.00 0.00 C ATOM 429 C VAL A 28 -6.413 3.234 10.450 1.00 0.00 C ATOM 430 O VAL A 28 -6.730 2.574 11.422 1.00 0.00 O ATOM 431 CB VAL A 28 -5.565 1.782 8.569 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.685 2.283 7.650 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.334 1.454 7.723 1.00 0.00 C ATOM 0 H VAL A 28 -4.392 1.453 10.979 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.843 3.747 9.079 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.911 0.893 9.096 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.935 1.508 6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.566 2.521 8.246 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.351 3.177 7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.590 0.691 6.988 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.996 2.354 7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.537 1.083 8.368 1.00 0.00 H new ATOM 443 N LYS A 29 -7.090 4.294 10.089 1.00 0.00 N ATOM 444 CA LYS A 29 -8.285 4.731 10.868 1.00 0.00 C ATOM 445 C LYS A 29 -9.506 3.913 10.442 1.00 0.00 C ATOM 446 O LYS A 29 -9.660 3.571 9.285 1.00 0.00 O ATOM 447 CB LYS A 29 -8.551 6.212 10.594 1.00 0.00 C ATOM 448 CG LYS A 29 -7.834 7.060 11.646 1.00 0.00 C ATOM 449 CD LYS A 29 -7.486 8.429 11.051 1.00 0.00 C ATOM 450 CE LYS A 29 -8.526 9.462 11.487 1.00 0.00 C ATOM 451 NZ LYS A 29 -7.904 10.815 11.502 1.00 0.00 N ATOM 0 H LYS A 29 -6.864 4.878 9.284 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.100 4.578 11.931 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.201 6.477 9.597 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.622 6.411 10.619 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.469 7.184 12.523 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.927 6.555 11.978 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.494 8.737 11.380 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.456 8.366 9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.376 9.448 10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.908 9.214 12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.610 11.519 11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.106 10.823 12.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.560 11.050 10.549 1.00 0.00 H new ATOM 465 N ALA A 30 -10.377 3.603 11.371 1.00 0.00 N ATOM 466 CA ALA A 30 -11.596 2.815 11.024 1.00 0.00 C ATOM 467 C ALA A 30 -12.470 3.637 10.077 1.00 0.00 C ATOM 468 O ALA A 30 -13.156 3.101 9.226 1.00 0.00 O ATOM 469 CB ALA A 30 -12.382 2.494 12.296 1.00 0.00 C ATOM 0 H ALA A 30 -10.295 3.863 12.354 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.303 1.883 10.540 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.271 1.919 12.039 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.757 1.912 12.973 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.679 3.422 12.784 1.00 0.00 H new ATOM 475 N ASN A 31 -12.444 4.938 10.218 1.00 0.00 N ATOM 476 CA ASN A 31 -13.259 5.811 9.331 1.00 0.00 C ATOM 477 C ASN A 31 -12.693 5.768 7.906 1.00 0.00 C ATOM 478 O ASN A 31 -13.392 6.037 6.946 1.00 0.00 O ATOM 479 CB ASN A 31 -13.207 7.247 9.869 1.00 0.00 C ATOM 480 CG ASN A 31 -14.624 7.812 9.983 1.00 0.00 C ATOM 481 OD1 ASN A 31 -14.972 8.759 9.303 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.463 7.266 10.819 1.00 0.00 N ATOM 0 H ASN A 31 -11.888 5.433 10.916 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.292 5.462 9.312 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.721 7.262 10.844 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.609 7.872 9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.411 7.633 10.903 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.171 6.472 11.389 1.00 0.00 H new ATOM 489 N ARG A 32 -11.432 5.435 7.761 1.00 0.00 N ATOM 490 CA ARG A 32 -10.815 5.376 6.398 1.00 0.00 C ATOM 491 C ARG A 32 -10.480 3.917 6.065 1.00 0.00 C ATOM 492 O ARG A 32 -9.337 3.568 5.824 1.00 0.00 O ATOM 493 CB ARG A 32 -9.531 6.226 6.346 1.00 0.00 C ATOM 494 CG ARG A 32 -9.678 7.491 7.205 1.00 0.00 C ATOM 495 CD ARG A 32 -8.336 8.220 7.277 1.00 0.00 C ATOM 496 NE ARG A 32 -8.558 9.626 7.734 1.00 0.00 N ATOM 497 CZ ARG A 32 -9.161 10.514 6.966 1.00 0.00 C ATOM 498 NH1 ARG A 32 -9.595 10.201 5.766 1.00 0.00 N ATOM 499 NH2 ARG A 32 -9.329 11.729 7.407 1.00 0.00 N ATOM 0 H ARG A 32 -10.803 5.201 8.529 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.522 5.774 5.670 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.685 5.637 6.700 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.316 6.505 5.314 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.437 8.147 6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.013 7.225 8.208 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.666 7.704 7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.854 8.216 6.299 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.236 9.905 8.661 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.469 9.254 5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.058 10.905 5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.996 11.985 8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.794 12.424 6.823 1.00 0.00 H new ATOM 513 N ILE A 33 -11.470 3.065 6.057 1.00 0.00 N ATOM 514 CA ILE A 33 -11.228 1.625 5.748 1.00 0.00 C ATOM 515 C ILE A 33 -11.883 1.272 4.410 1.00 0.00 C ATOM 516 O ILE A 33 -13.042 0.904 4.356 1.00 0.00 O ATOM 517 CB ILE A 33 -11.833 0.764 6.869 1.00 0.00 C ATOM 518 CG1 ILE A 33 -11.159 1.122 8.202 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.633 -0.733 6.569 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.660 0.803 8.148 1.00 0.00 C ATOM 0 H ILE A 33 -12.442 3.306 6.252 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.157 1.435 5.680 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.903 0.963 6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.304 2.181 8.417 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.626 0.565 9.014 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.068 -1.327 7.373 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.122 -0.984 5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.567 -0.950 6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.198 1.063 9.101 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.521 -0.261 7.956 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.194 1.380 7.349 1.00 0.00 H new ATOM 532 N PHE A 34 -11.145 1.369 3.333 1.00 0.00 N ATOM 533 CA PHE A 34 -11.716 1.025 1.999 1.00 0.00 C ATOM 534 C PHE A 34 -11.688 -0.495 1.841 1.00 0.00 C ATOM 535 O PHE A 34 -10.704 -1.065 1.409 1.00 0.00 O ATOM 536 CB PHE A 34 -10.879 1.688 0.895 1.00 0.00 C ATOM 537 CG PHE A 34 -11.717 2.717 0.171 1.00 0.00 C ATOM 538 CD1 PHE A 34 -12.849 2.315 -0.547 1.00 0.00 C ATOM 539 CD2 PHE A 34 -11.365 4.070 0.225 1.00 0.00 C ATOM 540 CE1 PHE A 34 -13.628 3.267 -1.214 1.00 0.00 C ATOM 541 CE2 PHE A 34 -12.144 5.022 -0.442 1.00 0.00 C ATOM 542 CZ PHE A 34 -13.276 4.622 -1.162 1.00 0.00 C ATOM 0 H PHE A 34 -10.171 1.672 3.322 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.742 1.385 1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.998 2.161 1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.523 0.934 0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -13.121 1.271 -0.586 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.492 4.379 0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.501 2.957 -1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.872 6.066 -0.401 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.877 5.357 -1.677 1.00 0.00 H new ATOM 552 N THR A 35 -12.755 -1.152 2.211 1.00 0.00 N ATOM 553 CA THR A 35 -12.796 -2.639 2.110 1.00 0.00 C ATOM 554 C THR A 35 -13.573 -3.074 0.866 1.00 0.00 C ATOM 555 O THR A 35 -14.284 -2.300 0.254 1.00 0.00 O ATOM 556 CB THR A 35 -13.473 -3.214 3.362 1.00 0.00 C ATOM 557 OG1 THR A 35 -13.536 -4.628 3.251 1.00 0.00 O ATOM 558 CG2 THR A 35 -14.892 -2.648 3.504 1.00 0.00 C ATOM 0 H THR A 35 -13.602 -0.721 2.580 1.00 0.00 H new ATOM 0 HA THR A 35 -11.775 -3.014 2.032 1.00 0.00 H new ATOM 0 HB THR A 35 -12.893 -2.937 4.242 1.00 0.00 H new ATOM 0 HG1 THR A 35 -13.186 -5.036 4.070 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.362 -3.063 4.396 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.844 -1.563 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.480 -2.916 2.626 1.00 0.00 H new ATOM 566 N ASP A 36 -13.441 -4.321 0.505 1.00 0.00 N ATOM 567 CA ASP A 36 -14.158 -4.862 -0.682 1.00 0.00 C ATOM 568 C ASP A 36 -14.914 -6.126 -0.249 1.00 0.00 C ATOM 569 O ASP A 36 -14.332 -7.031 0.319 1.00 0.00 O ATOM 570 CB ASP A 36 -13.137 -5.204 -1.764 1.00 0.00 C ATOM 571 CG ASP A 36 -13.046 -4.054 -2.762 1.00 0.00 C ATOM 572 OD1 ASP A 36 -14.074 -3.469 -3.062 1.00 0.00 O ATOM 573 OD2 ASP A 36 -11.951 -3.772 -3.209 1.00 0.00 O ATOM 0 H ASP A 36 -12.855 -4.999 0.992 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.862 -4.130 -1.079 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.161 -5.386 -1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.428 -6.121 -2.276 1.00 0.00 H new ATOM 578 N LYS A 37 -16.202 -6.187 -0.487 1.00 0.00 N ATOM 579 CA LYS A 37 -16.989 -7.390 -0.059 1.00 0.00 C ATOM 580 C LYS A 37 -17.111 -8.382 -1.220 1.00 0.00 C ATOM 581 O LYS A 37 -17.981 -8.269 -2.062 1.00 0.00 O ATOM 582 CB LYS A 37 -18.386 -6.955 0.393 1.00 0.00 C ATOM 583 CG LYS A 37 -18.270 -5.857 1.456 1.00 0.00 C ATOM 584 CD LYS A 37 -17.959 -6.480 2.822 1.00 0.00 C ATOM 585 CE LYS A 37 -19.264 -6.746 3.573 1.00 0.00 C ATOM 586 NZ LYS A 37 -20.037 -7.806 2.868 1.00 0.00 N ATOM 0 H LYS A 37 -16.742 -5.460 -0.957 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.472 -7.875 0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.957 -6.589 -0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.930 -7.809 0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.484 -5.154 1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.200 -5.291 1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.407 -7.411 2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.324 -5.811 3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -19.050 -7.057 4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.854 -5.831 3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.795 -8.154 3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.454 -7.413 2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.403 -8.592 2.621 1.00 0.00 H new ATOM 600 N ALA A 38 -16.237 -9.356 -1.266 1.00 0.00 N ATOM 601 CA ALA A 38 -16.272 -10.372 -2.359 1.00 0.00 C ATOM 602 C ALA A 38 -17.516 -11.255 -2.208 1.00 0.00 C ATOM 603 O ALA A 38 -18.011 -11.811 -3.171 1.00 0.00 O ATOM 604 CB ALA A 38 -15.014 -11.241 -2.268 1.00 0.00 C ATOM 0 H ALA A 38 -15.492 -9.491 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.308 -9.870 -3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.029 -11.987 -3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.130 -10.613 -2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -14.987 -11.742 -1.300 1.00 0.00 H new ATOM 661 N ASP A 44 -15.057 -8.210 -5.805 1.00 0.00 N ATOM 662 CA ASP A 44 -15.065 -6.950 -5.015 1.00 0.00 C ATOM 663 C ASP A 44 -13.716 -6.239 -5.130 1.00 0.00 C ATOM 664 O ASP A 44 -12.751 -6.601 -4.484 1.00 0.00 O ATOM 665 CB ASP A 44 -15.344 -7.280 -3.548 1.00 0.00 C ATOM 666 CG ASP A 44 -14.293 -8.271 -3.015 1.00 0.00 C ATOM 667 OD1 ASP A 44 -13.797 -9.070 -3.791 1.00 0.00 O ATOM 668 OD2 ASP A 44 -14.006 -8.210 -1.833 1.00 0.00 O ATOM 0 HA ASP A 44 -15.842 -6.291 -5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.328 -6.367 -2.953 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.341 -7.708 -3.448 1.00 0.00 H new ATOM 673 N ARG A 45 -13.651 -5.221 -5.940 1.00 0.00 N ATOM 674 CA ARG A 45 -12.376 -4.468 -6.092 1.00 0.00 C ATOM 675 C ARG A 45 -12.679 -2.974 -6.221 1.00 0.00 C ATOM 676 O ARG A 45 -12.015 -2.256 -6.945 1.00 0.00 O ATOM 677 CB ARG A 45 -11.634 -4.952 -7.339 1.00 0.00 C ATOM 678 CG ARG A 45 -10.697 -6.103 -6.963 1.00 0.00 C ATOM 679 CD ARG A 45 -10.211 -6.802 -8.234 1.00 0.00 C ATOM 680 NE ARG A 45 -11.168 -7.890 -8.601 1.00 0.00 N ATOM 681 CZ ARG A 45 -11.147 -8.452 -9.795 1.00 0.00 C ATOM 682 NH1 ARG A 45 -10.284 -8.082 -10.714 1.00 0.00 N ATOM 683 NH2 ARG A 45 -12.002 -9.398 -10.069 1.00 0.00 N ATOM 0 H ARG A 45 -14.428 -4.877 -6.505 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.750 -4.638 -5.216 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.347 -5.282 -8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -11.063 -4.133 -7.776 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.847 -5.723 -6.396 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -11.217 -6.814 -6.320 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.131 -6.083 -9.049 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.215 -7.217 -8.076 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.852 -8.205 -7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.609 -7.344 -10.512 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.289 -8.533 -11.629 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.677 -9.696 -9.364 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.996 -9.840 -10.988 1.00 0.00 H new ATOM 697 N LYS A 46 -13.677 -2.504 -5.518 1.00 0.00 N ATOM 698 CA LYS A 46 -14.035 -1.054 -5.582 1.00 0.00 C ATOM 699 C LYS A 46 -13.072 -0.242 -4.706 1.00 0.00 C ATOM 700 O LYS A 46 -12.959 0.960 -4.846 1.00 0.00 O ATOM 701 CB LYS A 46 -15.469 -0.840 -5.069 1.00 0.00 C ATOM 702 CG LYS A 46 -16.397 -1.947 -5.583 1.00 0.00 C ATOM 703 CD LYS A 46 -17.848 -1.463 -5.548 1.00 0.00 C ATOM 704 CE LYS A 46 -18.275 -1.223 -4.098 1.00 0.00 C ATOM 705 NZ LYS A 46 -19.678 -0.724 -4.068 1.00 0.00 N ATOM 0 H LYS A 46 -14.263 -3.065 -4.899 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.964 -0.724 -6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.474 -0.831 -3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.837 0.132 -5.397 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.120 -2.223 -6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.287 -2.841 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -17.949 -0.543 -6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -18.500 -2.203 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.195 -2.148 -3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -17.610 -0.499 -3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -19.968 -0.561 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -19.741 0.168 -4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.307 -1.430 -4.501 1.00 0.00 H new ATOM 719 N GLY A 47 -12.385 -0.889 -3.790 1.00 0.00 N ATOM 720 CA GLY A 47 -11.439 -0.166 -2.889 1.00 0.00 C ATOM 721 C GLY A 47 -10.412 0.625 -3.703 1.00 0.00 C ATOM 722 O GLY A 47 -10.559 1.812 -3.890 1.00 0.00 O ATOM 0 H GLY A 47 -12.443 -1.895 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.994 0.511 -2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.927 -0.880 -2.244 1.00 0.00 H new ATOM 726 N LEU A 48 -9.364 -0.020 -4.169 1.00 0.00 N ATOM 727 CA LEU A 48 -8.298 0.712 -4.958 1.00 0.00 C ATOM 728 C LEU A 48 -8.949 1.556 -6.064 1.00 0.00 C ATOM 729 O LEU A 48 -8.416 2.569 -6.472 1.00 0.00 O ATOM 730 CB LEU A 48 -7.260 -0.246 -5.614 1.00 0.00 C ATOM 731 CG LEU A 48 -7.762 -1.698 -5.710 1.00 0.00 C ATOM 732 CD1 LEU A 48 -9.104 -1.740 -6.448 1.00 0.00 C ATOM 733 CD2 LEU A 48 -6.738 -2.527 -6.488 1.00 0.00 C ATOM 0 H LEU A 48 -9.195 -1.018 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.768 1.343 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.019 0.117 -6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.336 -0.224 -5.036 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.891 -2.103 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.452 -2.771 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.837 -1.142 -5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.979 -1.337 -7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.085 -3.558 -6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.619 -2.112 -7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.780 -2.503 -5.969 1.00 0.00 H new ATOM 745 N ASP A 49 -10.102 1.149 -6.539 1.00 0.00 N ATOM 746 CA ASP A 49 -10.793 1.929 -7.609 1.00 0.00 C ATOM 747 C ASP A 49 -11.154 3.312 -7.061 1.00 0.00 C ATOM 748 O ASP A 49 -10.711 4.326 -7.567 1.00 0.00 O ATOM 749 CB ASP A 49 -12.067 1.196 -8.035 1.00 0.00 C ATOM 750 CG ASP A 49 -12.295 1.394 -9.534 1.00 0.00 C ATOM 751 OD1 ASP A 49 -11.399 1.071 -10.297 1.00 0.00 O ATOM 752 OD2 ASP A 49 -13.361 1.865 -9.895 1.00 0.00 O ATOM 0 H ASP A 49 -10.593 0.310 -6.230 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.136 2.035 -8.472 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.981 0.134 -7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.921 1.574 -7.474 1.00 0.00 H new ATOM 757 N LEU A 50 -11.945 3.354 -6.019 1.00 0.00 N ATOM 758 CA LEU A 50 -12.331 4.662 -5.414 1.00 0.00 C ATOM 759 C LEU A 50 -11.117 5.246 -4.682 1.00 0.00 C ATOM 760 O LEU A 50 -10.961 6.447 -4.580 1.00 0.00 O ATOM 761 CB LEU A 50 -13.476 4.443 -4.420 1.00 0.00 C ATOM 762 CG LEU A 50 -14.628 3.695 -5.106 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.231 2.676 -4.137 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.710 4.693 -5.529 1.00 0.00 C ATOM 0 H LEU A 50 -12.341 2.534 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.658 5.352 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.120 3.872 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.828 5.402 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.245 3.178 -5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.048 2.147 -4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.465 1.961 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.610 3.193 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.527 4.160 -6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.089 5.213 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.285 5.418 -6.224 1.00 0.00 H new ATOM 776 N LEU A 51 -10.250 4.395 -4.187 1.00 0.00 N ATOM 777 CA LEU A 51 -9.027 4.873 -3.472 1.00 0.00 C ATOM 778 C LEU A 51 -8.209 5.750 -4.423 1.00 0.00 C ATOM 779 O LEU A 51 -7.586 6.713 -4.019 1.00 0.00 O ATOM 780 CB LEU A 51 -8.193 3.658 -3.044 1.00 0.00 C ATOM 781 CG LEU A 51 -7.441 3.962 -1.748 1.00 0.00 C ATOM 782 CD1 LEU A 51 -8.435 4.079 -0.591 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.458 2.826 -1.455 1.00 0.00 C ATOM 0 H LEU A 51 -10.340 3.381 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.306 5.451 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.842 2.794 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.485 3.398 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.899 4.901 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.896 4.296 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.140 4.884 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.978 3.140 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.920 3.040 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.006 1.890 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.747 2.739 -2.277 1.00 0.00 H new ATOM 795 N ARG A 52 -8.229 5.425 -5.692 1.00 0.00 N ATOM 796 CA ARG A 52 -7.479 6.236 -6.693 1.00 0.00 C ATOM 797 C ARG A 52 -8.076 7.649 -6.765 1.00 0.00 C ATOM 798 O ARG A 52 -7.447 8.569 -7.251 1.00 0.00 O ATOM 799 CB ARG A 52 -7.576 5.565 -8.067 1.00 0.00 C ATOM 800 CG ARG A 52 -6.498 4.485 -8.186 1.00 0.00 C ATOM 801 CD ARG A 52 -7.001 3.352 -9.082 1.00 0.00 C ATOM 802 NE ARG A 52 -7.450 3.914 -10.394 1.00 0.00 N ATOM 803 CZ ARG A 52 -7.771 3.130 -11.404 1.00 0.00 C ATOM 804 NH1 ARG A 52 -7.710 1.822 -11.308 1.00 0.00 N ATOM 805 NH2 ARG A 52 -8.157 3.668 -12.530 1.00 0.00 N ATOM 0 H ARG A 52 -8.736 4.628 -6.077 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.433 6.304 -6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.564 5.124 -8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.451 6.307 -8.855 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.585 4.912 -8.601 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.247 4.097 -7.199 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.209 2.620 -9.240 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.826 2.829 -8.597 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.509 4.926 -10.509 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.408 1.388 -10.436 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.964 1.240 -12.106 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.207 4.683 -12.620 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.408 3.073 -13.320 1.00 0.00 H new ATOM 819 N MET A 53 -9.286 7.826 -6.284 1.00 0.00 N ATOM 820 CA MET A 53 -9.925 9.172 -6.324 1.00 0.00 C ATOM 821 C MET A 53 -10.283 9.655 -4.902 1.00 0.00 C ATOM 822 O MET A 53 -10.885 10.700 -4.737 1.00 0.00 O ATOM 823 CB MET A 53 -11.185 9.096 -7.211 1.00 0.00 C ATOM 824 CG MET A 53 -12.310 8.320 -6.505 1.00 0.00 C ATOM 825 SD MET A 53 -13.819 8.412 -7.496 1.00 0.00 S ATOM 826 CE MET A 53 -14.948 8.793 -6.136 1.00 0.00 C ATOM 0 H MET A 53 -9.856 7.091 -5.865 1.00 0.00 H new ATOM 0 HA MET A 53 -9.225 9.894 -6.745 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.527 10.103 -7.450 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.940 8.610 -8.156 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.017 7.280 -6.366 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.487 8.737 -5.514 1.00 0.00 H new ATOM 0 HE1 MET A 53 -15.962 8.896 -6.523 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.920 7.987 -5.403 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.644 9.726 -5.661 1.00 0.00 H new ATOM 836 N LYS A 54 -9.932 8.907 -3.879 1.00 0.00 N ATOM 837 CA LYS A 54 -10.271 9.332 -2.488 1.00 0.00 C ATOM 838 C LYS A 54 -9.000 9.711 -1.722 1.00 0.00 C ATOM 839 O LYS A 54 -9.044 10.492 -0.790 1.00 0.00 O ATOM 840 CB LYS A 54 -10.977 8.183 -1.764 1.00 0.00 C ATOM 841 CG LYS A 54 -11.873 8.743 -0.648 1.00 0.00 C ATOM 842 CD LYS A 54 -13.281 8.154 -0.771 1.00 0.00 C ATOM 843 CE LYS A 54 -14.176 9.124 -1.544 1.00 0.00 C ATOM 844 NZ LYS A 54 -14.741 10.134 -0.603 1.00 0.00 N ATOM 0 H LYS A 54 -9.427 8.024 -3.951 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.928 10.201 -2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.577 7.609 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.240 7.499 -1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.451 8.500 0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.916 9.830 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.241 7.193 -1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.697 7.970 0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.602 9.621 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.981 8.579 -2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.350 10.794 -1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.302 9.652 0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.966 10.661 -0.153 1.00 0.00 H new ATOM 858 N VAL A 55 -7.869 9.165 -2.101 1.00 0.00 N ATOM 859 CA VAL A 55 -6.597 9.493 -1.388 1.00 0.00 C ATOM 860 C VAL A 55 -6.316 10.996 -1.487 1.00 0.00 C ATOM 861 O VAL A 55 -6.562 11.616 -2.505 1.00 0.00 O ATOM 862 CB VAL A 55 -5.441 8.714 -2.016 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.650 7.219 -1.770 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.396 8.987 -3.521 1.00 0.00 C ATOM 0 H VAL A 55 -7.773 8.506 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.694 9.215 -0.338 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.499 9.030 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.828 6.659 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.680 7.027 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.591 6.904 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.571 8.431 -3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.335 8.671 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.250 10.053 -3.693 1.00 0.00 H new ATOM 874 N GLU A 56 -5.807 11.581 -0.432 1.00 0.00 N ATOM 875 CA GLU A 56 -5.508 13.043 -0.452 1.00 0.00 C ATOM 876 C GLU A 56 -4.042 13.258 -0.832 1.00 0.00 C ATOM 877 O GLU A 56 -3.268 12.322 -0.897 1.00 0.00 O ATOM 878 CB GLU A 56 -5.769 13.633 0.939 1.00 0.00 C ATOM 879 CG GLU A 56 -6.375 15.032 0.801 1.00 0.00 C ATOM 880 CD GLU A 56 -5.880 15.920 1.944 1.00 0.00 C ATOM 881 OE1 GLU A 56 -5.947 15.481 3.080 1.00 0.00 O ATOM 882 OE2 GLU A 56 -5.444 17.025 1.664 1.00 0.00 O ATOM 0 H GLU A 56 -5.586 11.107 0.444 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.148 13.537 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.446 12.987 1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.838 13.684 1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.096 15.467 -0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.463 14.971 0.819 1.00 0.00 H new ATOM 889 N GLU A 57 -3.658 14.482 -1.084 1.00 0.00 N ATOM 890 CA GLU A 57 -2.243 14.765 -1.462 1.00 0.00 C ATOM 891 C GLU A 57 -1.324 14.427 -0.285 1.00 0.00 C ATOM 892 O GLU A 57 -1.354 15.078 0.742 1.00 0.00 O ATOM 893 CB GLU A 57 -2.096 16.245 -1.819 1.00 0.00 C ATOM 894 CG GLU A 57 -1.034 16.405 -2.909 1.00 0.00 C ATOM 895 CD GLU A 57 -1.028 17.851 -3.407 1.00 0.00 C ATOM 896 OE1 GLU A 57 -0.809 18.736 -2.596 1.00 0.00 O ATOM 897 OE2 GLU A 57 -1.242 18.050 -4.591 1.00 0.00 O ATOM 0 H GLU A 57 -4.266 15.300 -1.044 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.968 14.157 -2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.050 16.643 -2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.814 16.817 -0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.052 16.140 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.241 15.725 -3.736 1.00 0.00 H new ATOM 904 N GLY A 58 -0.511 13.413 -0.434 1.00 0.00 N ATOM 905 CA GLY A 58 0.417 13.020 0.668 1.00 0.00 C ATOM 906 C GLY A 58 -0.281 12.027 1.603 1.00 0.00 C ATOM 907 O GLY A 58 0.055 11.923 2.768 1.00 0.00 O ATOM 0 H GLY A 58 -0.450 12.838 -1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.319 12.571 0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.728 13.903 1.226 1.00 0.00 H new ATOM 911 N ASP A 59 -1.246 11.296 1.102 1.00 0.00 N ATOM 912 CA ASP A 59 -1.966 10.308 1.961 1.00 0.00 C ATOM 913 C ASP A 59 -1.208 8.977 1.952 1.00 0.00 C ATOM 914 O ASP A 59 -0.448 8.698 1.043 1.00 0.00 O ATOM 915 CB ASP A 59 -3.380 10.093 1.412 1.00 0.00 C ATOM 916 CG ASP A 59 -4.357 9.897 2.572 1.00 0.00 C ATOM 917 OD1 ASP A 59 -4.111 9.024 3.387 1.00 0.00 O ATOM 918 OD2 ASP A 59 -5.337 10.623 2.624 1.00 0.00 O ATOM 0 H ASP A 59 -1.566 11.341 0.134 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.024 10.686 2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.682 10.950 0.810 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.398 9.222 0.757 1.00 0.00 H new ATOM 923 N VAL A 60 -1.411 8.152 2.951 1.00 0.00 N ATOM 924 CA VAL A 60 -0.702 6.832 2.988 1.00 0.00 C ATOM 925 C VAL A 60 -1.706 5.712 2.716 1.00 0.00 C ATOM 926 O VAL A 60 -2.767 5.656 3.311 1.00 0.00 O ATOM 927 CB VAL A 60 -0.041 6.587 4.356 1.00 0.00 C ATOM 928 CG1 VAL A 60 1.324 7.277 4.396 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.922 7.120 5.491 1.00 0.00 C ATOM 0 H VAL A 60 -2.033 8.333 3.739 1.00 0.00 H new ATOM 0 HA VAL A 60 0.076 6.844 2.225 1.00 0.00 H new ATOM 0 HB VAL A 60 0.085 5.513 4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.791 7.103 5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.960 6.872 3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.195 8.348 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.434 6.935 6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.073 8.192 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.887 6.613 5.472 1.00 0.00 H new ATOM 939 N ILE A 61 -1.374 4.821 1.821 1.00 0.00 N ATOM 940 CA ILE A 61 -2.290 3.692 1.494 1.00 0.00 C ATOM 941 C ILE A 61 -1.667 2.389 2.006 1.00 0.00 C ATOM 942 O ILE A 61 -0.770 1.837 1.395 1.00 0.00 O ATOM 943 CB ILE A 61 -2.473 3.629 -0.027 1.00 0.00 C ATOM 944 CG1 ILE A 61 -3.085 4.948 -0.516 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.399 2.469 -0.406 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.496 5.314 -1.879 1.00 0.00 C ATOM 0 H ILE A 61 -0.498 4.828 1.298 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.262 3.836 1.966 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.501 3.471 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.168 4.852 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.884 5.742 0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.519 2.438 -1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.966 1.530 -0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.373 2.613 0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.932 6.251 -2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.416 5.428 -1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.720 4.524 -2.596 1.00 0.00 H new ATOM 958 N LEU A 62 -2.135 1.900 3.127 1.00 0.00 N ATOM 959 CA LEU A 62 -1.574 0.638 3.690 1.00 0.00 C ATOM 960 C LEU A 62 -2.200 -0.566 2.984 1.00 0.00 C ATOM 961 O LEU A 62 -3.409 -0.686 2.902 1.00 0.00 O ATOM 962 CB LEU A 62 -1.878 0.569 5.189 1.00 0.00 C ATOM 963 CG LEU A 62 -0.700 1.150 5.975 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.206 1.734 7.295 1.00 0.00 C ATOM 965 CD2 LEU A 62 0.314 0.039 6.265 1.00 0.00 C ATOM 0 H LEU A 62 -2.883 2.323 3.676 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.495 0.623 3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.788 1.126 5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.055 -0.464 5.488 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.223 1.936 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.367 2.148 7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.930 2.523 7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.682 0.948 7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.154 0.450 6.825 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.164 -0.746 6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.674 -0.379 5.325 1.00 0.00 H new ATOM 977 N VAL A 63 -1.386 -1.457 2.478 1.00 0.00 N ATOM 978 CA VAL A 63 -1.923 -2.662 1.776 1.00 0.00 C ATOM 979 C VAL A 63 -1.362 -3.922 2.442 1.00 0.00 C ATOM 980 O VAL A 63 -0.198 -3.980 2.793 1.00 0.00 O ATOM 981 CB VAL A 63 -1.505 -2.631 0.304 1.00 0.00 C ATOM 982 CG1 VAL A 63 -2.204 -3.764 -0.448 1.00 0.00 C ATOM 983 CG2 VAL A 63 -1.907 -1.288 -0.312 1.00 0.00 C ATOM 0 H VAL A 63 -0.368 -1.402 2.521 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.011 -2.666 1.838 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.425 -2.757 0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.907 -3.742 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.920 -4.721 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.284 -3.637 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.610 -1.265 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.987 -1.163 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.411 -0.479 0.224 1.00 0.00 H new ATOM 1207 N ILE A 77 1.429 -2.731 -9.962 1.00 0.00 N ATOM 1208 CA ILE A 77 2.218 -1.491 -10.197 1.00 0.00 C ATOM 1209 C ILE A 77 1.314 -0.415 -10.815 1.00 0.00 C ATOM 1210 O ILE A 77 1.565 0.764 -10.674 1.00 0.00 O ATOM 1211 CB ILE A 77 3.375 -1.810 -11.150 1.00 0.00 C ATOM 1212 CG1 ILE A 77 4.259 -2.893 -10.525 1.00 0.00 C ATOM 1213 CG2 ILE A 77 4.214 -0.553 -11.394 1.00 0.00 C ATOM 1214 CD1 ILE A 77 3.836 -4.267 -11.049 1.00 0.00 C ATOM 0 HA ILE A 77 2.615 -1.120 -9.252 1.00 0.00 H new ATOM 0 HB ILE A 77 2.971 -2.161 -12.100 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.305 -2.707 -10.767 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.173 -2.865 -9.439 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.034 -0.789 -12.072 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.588 0.222 -11.837 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.618 -0.196 -10.447 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.466 -5.036 -10.603 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.795 -4.453 -10.785 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.945 -4.292 -12.133 1.00 0.00 H new ATOM 1226 N GLN A 78 0.270 -0.814 -11.501 1.00 0.00 N ATOM 1227 CA GLN A 78 -0.646 0.183 -12.140 1.00 0.00 C ATOM 1228 C GLN A 78 -1.164 1.181 -11.098 1.00 0.00 C ATOM 1229 O GLN A 78 -0.807 2.345 -11.121 1.00 0.00 O ATOM 1230 CB GLN A 78 -1.831 -0.548 -12.777 1.00 0.00 C ATOM 1231 CG GLN A 78 -2.246 0.168 -14.064 1.00 0.00 C ATOM 1232 CD GLN A 78 -2.792 1.557 -13.722 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -3.965 1.711 -13.445 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -1.985 2.583 -13.733 1.00 0.00 N ATOM 0 H GLN A 78 0.012 -1.790 -11.646 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.092 0.728 -12.905 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.559 -1.581 -12.995 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.669 -0.579 -12.080 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.392 0.256 -14.735 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.004 -0.414 -14.588 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.000 2.455 -13.965 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.339 3.513 -13.509 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.002 0.742 -10.187 1.00 0.00 N ATOM 1244 CA LEU A 79 -2.540 1.677 -9.150 1.00 0.00 C ATOM 1245 C LEU A 79 -1.374 2.312 -8.372 1.00 0.00 C ATOM 1246 O LEU A 79 -1.470 3.428 -7.899 1.00 0.00 O ATOM 1247 CB LEU A 79 -3.513 0.928 -8.209 1.00 0.00 C ATOM 1248 CG LEU A 79 -2.775 0.013 -7.217 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -3.759 -0.473 -6.153 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -2.196 -1.197 -7.949 1.00 0.00 C ATOM 0 H LEU A 79 -2.335 -0.220 -10.118 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.101 2.477 -9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.111 1.653 -7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.205 0.332 -8.804 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.964 0.573 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.241 -1.122 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.173 0.384 -5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.567 -1.028 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.676 -1.838 -7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.003 -1.758 -8.420 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.495 -0.859 -8.713 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.269 1.614 -8.265 1.00 0.00 N ATOM 1263 CA ILE A 80 0.914 2.175 -7.547 1.00 0.00 C ATOM 1264 C ILE A 80 1.424 3.386 -8.342 1.00 0.00 C ATOM 1265 O ILE A 80 1.668 4.442 -7.789 1.00 0.00 O ATOM 1266 CB ILE A 80 2.005 1.090 -7.442 1.00 0.00 C ATOM 1267 CG1 ILE A 80 1.521 -0.036 -6.514 1.00 0.00 C ATOM 1268 CG2 ILE A 80 3.312 1.678 -6.891 1.00 0.00 C ATOM 1269 CD1 ILE A 80 1.245 0.500 -5.108 1.00 0.00 C ATOM 0 H ILE A 80 -0.137 0.677 -8.646 1.00 0.00 H new ATOM 0 HA ILE A 80 0.646 2.490 -6.539 1.00 0.00 H new ATOM 0 HB ILE A 80 2.196 0.695 -8.440 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.615 -0.485 -6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.273 -0.823 -6.467 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.065 0.893 -6.827 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.665 2.466 -7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.135 2.093 -5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.904 -0.314 -4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.159 0.927 -4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.475 1.270 -5.157 1.00 0.00 H new ATOM 1281 N LYS A 81 1.571 3.239 -9.636 1.00 0.00 N ATOM 1282 CA LYS A 81 2.048 4.377 -10.474 1.00 0.00 C ATOM 1283 C LYS A 81 1.003 5.491 -10.432 1.00 0.00 C ATOM 1284 O LYS A 81 1.329 6.662 -10.429 1.00 0.00 O ATOM 1285 CB LYS A 81 2.235 3.910 -11.921 1.00 0.00 C ATOM 1286 CG LYS A 81 3.090 2.634 -11.955 1.00 0.00 C ATOM 1287 CD LYS A 81 4.352 2.874 -12.790 1.00 0.00 C ATOM 1288 CE LYS A 81 4.128 2.362 -14.214 1.00 0.00 C ATOM 1289 NZ LYS A 81 5.317 2.687 -15.050 1.00 0.00 N ATOM 0 H LYS A 81 1.380 2.377 -10.147 1.00 0.00 H new ATOM 0 HA LYS A 81 3.000 4.743 -10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.264 3.719 -12.379 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.715 4.695 -12.506 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.364 2.342 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.514 1.811 -12.379 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.592 3.937 -12.808 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.202 2.363 -12.338 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.961 1.285 -14.203 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.235 2.819 -14.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.166 2.339 -16.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.456 3.717 -15.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.160 2.231 -14.646 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.253 5.126 -10.388 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.337 6.147 -10.335 1.00 0.00 C ATOM 1305 C GLU A 82 -1.211 6.940 -9.032 1.00 0.00 C ATOM 1306 O GLU A 82 -1.300 8.153 -9.022 1.00 0.00 O ATOM 1307 CB GLU A 82 -2.697 5.444 -10.384 1.00 0.00 C ATOM 1308 CG GLU A 82 -3.739 6.387 -10.991 1.00 0.00 C ATOM 1309 CD GLU A 82 -3.504 6.503 -12.497 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -3.828 5.562 -13.204 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -3.003 7.532 -12.921 1.00 0.00 O ATOM 0 H GLU A 82 -0.574 4.158 -10.387 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.252 6.825 -11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.626 4.533 -10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.001 5.147 -9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.743 6.010 -10.797 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.671 7.370 -10.525 1.00 0.00 H new ATOM 1318 N PHE A 83 -0.995 6.258 -7.937 1.00 0.00 N ATOM 1319 CA PHE A 83 -0.847 6.954 -6.626 1.00 0.00 C ATOM 1320 C PHE A 83 0.500 7.678 -6.587 1.00 0.00 C ATOM 1321 O PHE A 83 0.637 8.720 -5.977 1.00 0.00 O ATOM 1322 CB PHE A 83 -0.900 5.921 -5.498 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.325 5.468 -5.297 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.310 6.398 -4.954 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.662 4.117 -5.455 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.631 5.980 -4.770 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -3.984 3.699 -5.270 1.00 0.00 C ATOM 1328 CZ PHE A 83 -4.969 4.631 -4.928 1.00 0.00 C ATOM 0 H PHE A 83 -0.914 5.242 -7.896 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.654 7.676 -6.500 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.267 5.068 -5.742 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.511 6.353 -4.576 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.051 7.439 -4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.901 3.398 -5.720 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.392 6.699 -4.505 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.244 2.658 -5.391 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.990 4.310 -4.786 1.00 0.00 H new ATOM 1338 N ASP A 84 1.496 7.126 -7.238 1.00 0.00 N ATOM 1339 CA ASP A 84 2.840 7.769 -7.249 1.00 0.00 C ATOM 1340 C ASP A 84 2.744 9.142 -7.914 1.00 0.00 C ATOM 1341 O ASP A 84 3.430 10.074 -7.539 1.00 0.00 O ATOM 1342 CB ASP A 84 3.812 6.888 -8.038 1.00 0.00 C ATOM 1343 CG ASP A 84 5.232 7.082 -7.503 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.723 8.196 -7.573 1.00 0.00 O ATOM 1345 OD2 ASP A 84 5.803 6.112 -7.032 1.00 0.00 O ATOM 0 H ASP A 84 1.431 6.254 -7.763 1.00 0.00 H new ATOM 0 HA ASP A 84 3.198 7.887 -6.226 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.521 5.841 -7.953 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.773 7.145 -9.097 1.00 0.00 H new ATOM 1350 N ALA A 85 1.893 9.268 -8.898 1.00 0.00 N ATOM 1351 CA ALA A 85 1.737 10.576 -9.599 1.00 0.00 C ATOM 1352 C ALA A 85 0.777 11.480 -8.815 1.00 0.00 C ATOM 1353 O ALA A 85 0.783 12.686 -8.981 1.00 0.00 O ATOM 1354 CB ALA A 85 1.177 10.335 -11.003 1.00 0.00 C ATOM 0 H ALA A 85 1.297 8.518 -9.248 1.00 0.00 H new ATOM 0 HA ALA A 85 2.709 11.064 -9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.062 11.289 -11.518 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.863 9.700 -11.564 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.207 9.844 -10.928 1.00 0.00 H new ATOM 1360 N GLN A 86 -0.049 10.912 -7.968 1.00 0.00 N ATOM 1361 CA GLN A 86 -1.006 11.741 -7.181 1.00 0.00 C ATOM 1362 C GLN A 86 -0.318 12.312 -5.928 1.00 0.00 C ATOM 1363 O GLN A 86 -0.953 12.962 -5.118 1.00 0.00 O ATOM 1364 CB GLN A 86 -2.196 10.864 -6.762 1.00 0.00 C ATOM 1365 CG GLN A 86 -3.457 11.294 -7.524 1.00 0.00 C ATOM 1366 CD GLN A 86 -4.290 12.233 -6.650 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -4.806 11.831 -5.626 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -4.446 13.477 -7.012 1.00 0.00 N ATOM 0 H GLN A 86 -0.099 9.909 -7.790 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.352 12.572 -7.795 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.976 9.816 -6.967 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.362 10.951 -5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.180 11.795 -8.452 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.045 10.418 -7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.014 13.816 -7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.000 14.110 -6.436 1.00 0.00 H new ATOM 1377 N GLY A 87 0.965 12.081 -5.758 1.00 0.00 N ATOM 1378 CA GLY A 87 1.669 12.613 -4.552 1.00 0.00 C ATOM 1379 C GLY A 87 1.187 11.853 -3.318 1.00 0.00 C ATOM 1380 O GLY A 87 1.123 12.394 -2.228 1.00 0.00 O ATOM 0 H GLY A 87 1.550 11.549 -6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.747 12.501 -4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.470 13.679 -4.439 1.00 0.00 H new ATOM 1384 N VAL A 88 0.845 10.601 -3.484 1.00 0.00 N ATOM 1385 CA VAL A 88 0.358 9.791 -2.330 1.00 0.00 C ATOM 1386 C VAL A 88 1.358 8.669 -2.039 1.00 0.00 C ATOM 1387 O VAL A 88 2.024 8.171 -2.929 1.00 0.00 O ATOM 1388 CB VAL A 88 -1.010 9.195 -2.679 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.552 8.397 -1.489 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.984 10.326 -3.010 1.00 0.00 C ATOM 0 H VAL A 88 0.883 10.104 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 88 0.263 10.422 -1.446 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.903 8.533 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.525 7.977 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.860 7.590 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.657 9.056 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.958 9.906 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.083 10.985 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.606 10.894 -3.860 1.00 0.00 H new ATOM 1400 N SER A 89 1.462 8.273 -0.797 1.00 0.00 N ATOM 1401 CA SER A 89 2.413 7.185 -0.429 1.00 0.00 C ATOM 1402 C SER A 89 1.640 5.883 -0.220 1.00 0.00 C ATOM 1403 O SER A 89 0.469 5.893 0.111 1.00 0.00 O ATOM 1404 CB SER A 89 3.141 7.559 0.861 1.00 0.00 C ATOM 1405 OG SER A 89 4.342 8.249 0.540 1.00 0.00 O ATOM 0 H SER A 89 0.926 8.659 -0.019 1.00 0.00 H new ATOM 0 HA SER A 89 3.140 7.051 -1.230 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.503 8.186 1.483 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.366 6.662 1.438 1.00 0.00 H new ATOM 0 HG SER A 89 4.810 8.492 1.366 1.00 0.00 H new ATOM 1411 N ILE A 90 2.287 4.760 -0.411 1.00 0.00 N ATOM 1412 CA ILE A 90 1.597 3.450 -0.226 1.00 0.00 C ATOM 1413 C ILE A 90 2.465 2.542 0.647 1.00 0.00 C ATOM 1414 O ILE A 90 3.498 2.059 0.224 1.00 0.00 O ATOM 1415 CB ILE A 90 1.362 2.807 -1.595 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.571 3.794 -2.466 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.572 1.501 -1.424 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.301 3.193 -3.845 1.00 0.00 C ATOM 0 H ILE A 90 3.267 4.696 -0.688 1.00 0.00 H new ATOM 0 HA ILE A 90 0.635 3.599 0.265 1.00 0.00 H new ATOM 0 HB ILE A 90 2.314 2.576 -2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.372 4.042 -1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.130 4.724 -2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.406 1.046 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.137 0.814 -0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.389 1.716 -0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.260 3.906 -4.449 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.248 2.968 -4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.277 2.276 -3.735 1.00 0.00 H new ATOM 1430 N ARG A 91 2.050 2.317 1.866 1.00 0.00 N ATOM 1431 CA ARG A 91 2.837 1.452 2.790 1.00 0.00 C ATOM 1432 C ARG A 91 2.424 -0.010 2.609 1.00 0.00 C ATOM 1433 O ARG A 91 1.251 -0.329 2.551 1.00 0.00 O ATOM 1434 CB ARG A 91 2.571 1.889 4.235 1.00 0.00 C ATOM 1435 CG ARG A 91 2.850 3.390 4.382 1.00 0.00 C ATOM 1436 CD ARG A 91 3.637 3.646 5.670 1.00 0.00 C ATOM 1437 NE ARG A 91 4.560 4.806 5.468 1.00 0.00 N ATOM 1438 CZ ARG A 91 5.137 5.412 6.487 1.00 0.00 C ATOM 1439 NH1 ARG A 91 4.930 5.025 7.725 1.00 0.00 N ATOM 1440 NH2 ARG A 91 5.934 6.421 6.261 1.00 0.00 N ATOM 0 H ARG A 91 1.192 2.699 2.263 1.00 0.00 H new ATOM 0 HA ARG A 91 3.899 1.551 2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.537 1.673 4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.204 1.323 4.918 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.414 3.750 3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.911 3.944 4.402 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.952 3.851 6.493 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.206 2.758 5.944 1.00 0.00 H new ATOM 0 HE ARG A 91 4.747 5.135 4.521 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.310 4.238 7.916 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.389 5.512 8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.104 6.732 5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.386 6.898 7.041 1.00 0.00 H new ATOM 1454 N PHE A 92 3.379 -0.901 2.516 1.00 0.00 N ATOM 1455 CA PHE A 92 3.049 -2.346 2.339 1.00 0.00 C ATOM 1456 C PHE A 92 3.310 -3.091 3.649 1.00 0.00 C ATOM 1457 O PHE A 92 4.291 -2.847 4.327 1.00 0.00 O ATOM 1458 CB PHE A 92 3.919 -2.938 1.230 1.00 0.00 C ATOM 1459 CG PHE A 92 3.270 -2.679 -0.109 1.00 0.00 C ATOM 1460 CD1 PHE A 92 3.402 -1.428 -0.722 1.00 0.00 C ATOM 1461 CD2 PHE A 92 2.535 -3.692 -0.737 1.00 0.00 C ATOM 1462 CE1 PHE A 92 2.799 -1.190 -1.963 1.00 0.00 C ATOM 1463 CE2 PHE A 92 1.933 -3.455 -1.977 1.00 0.00 C ATOM 1464 CZ PHE A 92 2.064 -2.203 -2.591 1.00 0.00 C ATOM 0 H PHE A 92 4.376 -0.688 2.555 1.00 0.00 H new ATOM 0 HA PHE A 92 1.999 -2.448 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.914 -2.493 1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.045 -4.010 1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.969 -0.646 -0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.433 -4.657 -0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.901 -0.225 -2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.367 -4.237 -2.461 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.599 -2.019 -3.548 1.00 0.00 H new ATOM 1474 N ILE A 93 2.438 -4.002 4.009 1.00 0.00 N ATOM 1475 CA ILE A 93 2.619 -4.773 5.280 1.00 0.00 C ATOM 1476 C ILE A 93 3.990 -5.466 5.282 1.00 0.00 C ATOM 1477 O ILE A 93 4.591 -5.663 6.322 1.00 0.00 O ATOM 1478 CB ILE A 93 1.496 -5.817 5.401 1.00 0.00 C ATOM 1479 CG1 ILE A 93 1.643 -6.586 6.717 1.00 0.00 C ATOM 1480 CG2 ILE A 93 1.562 -6.799 4.225 1.00 0.00 C ATOM 1481 CD1 ILE A 93 1.394 -5.639 7.893 1.00 0.00 C ATOM 0 H ILE A 93 1.604 -4.246 3.474 1.00 0.00 H new ATOM 0 HA ILE A 93 2.573 -4.093 6.130 1.00 0.00 H new ATOM 0 HB ILE A 93 0.534 -5.304 5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.935 -7.414 6.747 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.642 -7.017 6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.763 -7.534 4.320 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.444 -6.254 3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.526 -7.308 4.230 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.499 -6.187 8.830 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.119 -4.826 7.865 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.386 -5.229 7.823 1.00 0.00 H new