USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 531 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 55 HIS : no HE2:sc= 0.0221 K(o=-1.2,f=-5) USER MOD Set 1.2: A 58 ASN : amide:sc= -1.24 K(o=-1.2,f=-5.1!) USER MOD Set 2.1: A 46 HIS : no HD1:sc= -0.688 K(o=-1.3,f=0.5) USER MOD Set 2.2: A 51 SER OG : rot 180:sc= -0.649 USER MOD Set 3.1: A 25 LYS NZ :NH3+ 162:sc= 0.00968 (180deg=0) USER MOD Set 3.2: A 49 GLN : amide:sc= -1.93 X(o=-1.9,f=-1.5) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 12 GLN : amide:sc= -1.34! X(o=-1.3!,f=-1.1) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= 1.23 (180deg=-0.222) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= -0.0011 (180deg=-0.145) USER MOD Single : A 28 GLN : amide:sc= -0.226 K(o=-0.23,f=-0.78) USER MOD Single : A 32 GLN : amide:sc= -0.011 K(o=-0.011,f=-7!) USER MOD Single : A 39 HIS : no HD1:sc= -0.0921 X(o=-0.092,f=-0.049) USER MOD Single : A 41 GLN : amide:sc= -0.912 K(o=-0.91,f=-0.3) USER MOD Single : A 57 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.11) USER MOD Single : A 60 SER OG : rot -140:sc= -0.258 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 63 GLN : amide:sc= -1.74 K(o=-1.7,f=-0.88) USER MOD Single : A 67 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.0023) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 71 LYS NZ :NH3+ -149:sc= 0.621 (180deg=-0.121) USER MOD ----------------------------------------------------------------- ATOM 124 N CYS A 9 12.816 0.820 3.755 1.00 0.00 N ATOM 125 CA CYS A 9 13.903 1.325 2.930 1.00 0.00 C ATOM 126 C CYS A 9 14.067 0.337 1.784 1.00 0.00 C ATOM 127 O CYS A 9 15.166 0.069 1.293 1.00 0.00 O ATOM 128 CB CYS A 9 15.192 1.470 3.746 1.00 0.00 C ATOM 129 SG CYS A 9 16.556 2.350 2.898 1.00 0.00 S ATOM 0 HA CYS A 9 13.680 2.321 2.547 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.960 1.998 4.671 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.540 0.476 4.025 1.00 0.00 H new ATOM 134 N CYS A 10 12.914 -0.183 1.371 1.00 0.00 N ATOM 135 CA CYS A 10 12.807 -1.236 0.378 1.00 0.00 C ATOM 136 C CYS A 10 13.435 -0.797 -0.941 1.00 0.00 C ATOM 137 O CYS A 10 13.007 0.186 -1.547 1.00 0.00 O ATOM 138 CB CYS A 10 11.321 -1.570 0.184 1.00 0.00 C ATOM 139 SG CYS A 10 10.983 -3.171 -0.616 1.00 0.00 S ATOM 0 H CYS A 10 12.010 0.127 1.729 1.00 0.00 H new ATOM 0 HA CYS A 10 13.344 -2.121 0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.833 -1.559 1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.863 -0.781 -0.412 1.00 0.00 H new ATOM 144 N THR A 11 14.463 -1.515 -1.362 1.00 0.00 N ATOM 145 CA THR A 11 15.163 -1.198 -2.594 1.00 0.00 C ATOM 146 C THR A 11 14.473 -1.825 -3.801 1.00 0.00 C ATOM 147 O THR A 11 14.114 -1.132 -4.756 1.00 0.00 O ATOM 148 CB THR A 11 16.619 -1.685 -2.526 1.00 0.00 C ATOM 149 OG1 THR A 11 16.657 -3.025 -2.013 1.00 0.00 O ATOM 150 CG2 THR A 11 17.454 -0.772 -1.644 1.00 0.00 C ATOM 0 H THR A 11 14.832 -2.326 -0.865 1.00 0.00 H new ATOM 0 HA THR A 11 15.148 -0.114 -2.710 1.00 0.00 H new ATOM 0 HB THR A 11 17.037 -1.667 -3.532 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.586 -3.333 -1.972 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.481 -1.137 -1.611 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.441 0.239 -2.051 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.040 -0.762 -0.636 1.00 0.00 H new ATOM 158 N GLN A 12 14.307 -3.139 -3.758 1.00 0.00 N ATOM 159 CA GLN A 12 13.626 -3.853 -4.827 1.00 0.00 C ATOM 160 C GLN A 12 12.110 -3.667 -4.745 1.00 0.00 C ATOM 161 O GLN A 12 11.514 -3.710 -3.671 1.00 0.00 O ATOM 162 CB GLN A 12 14.010 -5.348 -4.849 1.00 0.00 C ATOM 163 CG GLN A 12 14.252 -6.005 -3.488 1.00 0.00 C ATOM 164 CD GLN A 12 13.026 -6.056 -2.599 1.00 0.00 C ATOM 165 OE1 GLN A 12 12.218 -6.981 -2.681 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.896 -5.079 -1.720 1.00 0.00 N ATOM 0 H GLN A 12 14.634 -3.731 -2.995 1.00 0.00 H new ATOM 0 HA GLN A 12 13.960 -3.419 -5.770 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.218 -5.897 -5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.913 -5.461 -5.449 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.615 -7.020 -3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 12 15.041 -5.461 -2.969 1.00 0.00 H new ATOM 0 HE21 GLN A 12 13.588 -4.330 -1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.104 -5.073 -1.077 1.00 0.00 H new ATOM 175 N LEU A 13 11.492 -3.448 -5.890 1.00 0.00 N ATOM 176 CA LEU A 13 10.064 -3.206 -5.948 1.00 0.00 C ATOM 177 C LEU A 13 9.404 -4.278 -6.794 1.00 0.00 C ATOM 178 O LEU A 13 9.988 -4.754 -7.768 1.00 0.00 O ATOM 179 CB LEU A 13 9.782 -1.818 -6.527 1.00 0.00 C ATOM 180 CG LEU A 13 10.400 -0.654 -5.748 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.163 0.657 -6.475 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.827 -0.588 -4.342 1.00 0.00 C ATOM 0 H LEU A 13 11.960 -3.433 -6.796 1.00 0.00 H new ATOM 0 HA LEU A 13 9.652 -3.244 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.152 -1.786 -7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.703 -1.672 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 13 11.474 -0.822 -5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.609 1.474 -5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.618 0.612 -7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.091 0.828 -6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.278 0.246 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.748 -0.444 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.043 -1.518 -3.817 1.00 0.00 H new ATOM 194 N TYR A 14 8.200 -4.667 -6.420 1.00 0.00 N ATOM 195 CA TYR A 14 7.517 -5.755 -7.101 1.00 0.00 C ATOM 196 C TYR A 14 6.960 -5.291 -8.440 1.00 0.00 C ATOM 197 O TYR A 14 6.944 -6.050 -9.410 1.00 0.00 O ATOM 198 CB TYR A 14 6.396 -6.309 -6.216 1.00 0.00 C ATOM 199 CG TYR A 14 5.803 -7.602 -6.729 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.499 -8.795 -6.607 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.553 -7.628 -7.335 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.967 -9.982 -7.075 1.00 0.00 C ATOM 203 CE2 TYR A 14 4.014 -8.810 -7.803 1.00 0.00 C ATOM 204 CZ TYR A 14 4.725 -9.984 -7.672 1.00 0.00 C ATOM 205 OH TYR A 14 4.191 -11.163 -8.142 1.00 0.00 O ATOM 0 H TYR A 14 7.675 -4.249 -5.652 1.00 0.00 H new ATOM 0 HA TYR A 14 8.238 -6.549 -7.293 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.785 -6.471 -5.211 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.605 -5.563 -6.136 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.472 -8.797 -6.139 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.994 -6.710 -7.442 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.522 -10.903 -6.973 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.040 -8.815 -8.270 1.00 0.00 H new ATOM 0 HH TYR A 14 3.309 -10.990 -8.533 1.00 0.00 H new ATOM 215 N ARG A 15 6.519 -4.032 -8.485 1.00 0.00 N ATOM 216 CA ARG A 15 5.894 -3.460 -9.679 1.00 0.00 C ATOM 217 C ARG A 15 4.590 -4.214 -9.983 1.00 0.00 C ATOM 218 O ARG A 15 4.198 -5.096 -9.218 1.00 0.00 O ATOM 219 CB ARG A 15 6.861 -3.523 -10.878 1.00 0.00 C ATOM 220 CG ARG A 15 6.468 -2.627 -12.047 1.00 0.00 C ATOM 221 CD ARG A 15 6.685 -1.157 -11.725 1.00 0.00 C ATOM 222 NE ARG A 15 5.901 -0.284 -12.598 1.00 0.00 N ATOM 223 CZ ARG A 15 6.325 0.890 -13.072 1.00 0.00 C ATOM 224 NH1 ARG A 15 7.570 1.302 -12.849 1.00 0.00 N ATOM 225 NH2 ARG A 15 5.506 1.645 -13.793 1.00 0.00 N ATOM 0 H ARG A 15 6.584 -3.384 -7.700 1.00 0.00 H new ATOM 0 HA ARG A 15 5.660 -2.411 -9.497 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.859 -3.243 -10.540 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.920 -4.553 -11.229 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.053 -2.897 -12.926 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.420 -2.794 -12.298 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.414 -0.969 -10.686 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.743 -0.916 -11.827 1.00 0.00 H new ATOM 0 HE ARG A 15 4.966 -0.593 -12.863 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.211 0.719 -12.311 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.883 2.201 -13.216 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.555 1.328 -13.984 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.827 2.542 -14.156 1.00 0.00 H new ATOM 239 N LYS A 16 3.917 -3.851 -11.078 1.00 0.00 N ATOM 240 CA LYS A 16 2.693 -4.534 -11.509 1.00 0.00 C ATOM 241 C LYS A 16 1.537 -4.277 -10.538 1.00 0.00 C ATOM 242 O LYS A 16 1.734 -3.735 -9.447 1.00 0.00 O ATOM 243 CB LYS A 16 2.931 -6.047 -11.636 1.00 0.00 C ATOM 244 CG LYS A 16 3.975 -6.427 -12.673 1.00 0.00 C ATOM 245 CD LYS A 16 4.189 -7.933 -12.718 1.00 0.00 C ATOM 246 CE LYS A 16 4.859 -8.449 -11.452 1.00 0.00 C ATOM 247 NZ LYS A 16 6.252 -7.952 -11.322 1.00 0.00 N ATOM 0 H LYS A 16 4.201 -3.083 -11.686 1.00 0.00 H new ATOM 0 HA LYS A 16 2.422 -4.129 -12.484 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.239 -6.438 -10.666 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.989 -6.532 -11.891 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.661 -6.073 -13.655 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.917 -5.931 -12.442 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.229 -8.432 -12.850 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.802 -8.187 -13.583 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.280 -8.139 -10.582 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.862 -9.539 -11.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.889 -8.751 -11.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.540 -7.490 -12.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.305 -7.267 -10.541 1.00 0.00 H new ATOM 261 N PRO A 17 0.305 -4.612 -10.946 1.00 0.00 N ATOM 262 CA PRO A 17 -0.846 -4.610 -10.057 1.00 0.00 C ATOM 263 C PRO A 17 -0.945 -5.918 -9.277 1.00 0.00 C ATOM 264 O PRO A 17 -0.711 -7.000 -9.827 1.00 0.00 O ATOM 265 CB PRO A 17 -2.047 -4.457 -11.006 1.00 0.00 C ATOM 266 CG PRO A 17 -1.485 -4.436 -12.396 1.00 0.00 C ATOM 267 CD PRO A 17 -0.088 -4.981 -12.307 1.00 0.00 C ATOM 0 HA PRO A 17 -0.790 -3.819 -9.309 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.748 -5.283 -10.882 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.595 -3.539 -10.794 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.094 -5.040 -13.068 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.480 -3.422 -12.796 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.062 -6.060 -12.459 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.570 -4.538 -13.055 1.00 0.00 H new ATOM 275 N LEU A 18 -1.268 -5.825 -8.000 1.00 0.00 N ATOM 276 CA LEU A 18 -1.427 -7.012 -7.176 1.00 0.00 C ATOM 277 C LEU A 18 -2.802 -7.627 -7.410 1.00 0.00 C ATOM 278 O LEU A 18 -3.775 -6.912 -7.643 1.00 0.00 O ATOM 279 CB LEU A 18 -1.229 -6.673 -5.693 1.00 0.00 C ATOM 280 CG LEU A 18 0.156 -6.131 -5.326 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.242 -5.827 -3.836 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.242 -7.117 -5.731 1.00 0.00 C ATOM 0 H LEU A 18 -1.425 -4.944 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.666 -7.739 -7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.978 -5.937 -5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.418 -7.570 -5.104 1.00 0.00 H new ATOM 0 HG LEU A 18 0.311 -5.201 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.235 -5.444 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.508 -5.081 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.061 -6.739 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.218 -6.714 -5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.085 -8.064 -5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.201 -7.281 -6.808 1.00 0.00 H new ATOM 294 N SER A 19 -2.872 -8.951 -7.377 1.00 0.00 N ATOM 295 CA SER A 19 -4.128 -9.657 -7.584 1.00 0.00 C ATOM 296 C SER A 19 -5.148 -9.283 -6.508 1.00 0.00 C ATOM 297 O SER A 19 -4.783 -9.019 -5.360 1.00 0.00 O ATOM 298 CB SER A 19 -3.881 -11.168 -7.582 1.00 0.00 C ATOM 299 OG SER A 19 -2.947 -11.533 -8.586 1.00 0.00 O ATOM 0 H SER A 19 -2.071 -9.559 -7.208 1.00 0.00 H new ATOM 0 HA SER A 19 -4.536 -9.363 -8.551 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.510 -11.478 -6.605 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.821 -11.694 -7.747 1.00 0.00 H new ATOM 0 HG SER A 19 -2.805 -12.502 -8.564 1.00 0.00 H new ATOM 305 N ASP A 20 -6.423 -9.275 -6.893 1.00 0.00 N ATOM 306 CA ASP A 20 -7.514 -8.887 -5.997 1.00 0.00 C ATOM 307 C ASP A 20 -7.517 -9.748 -4.741 1.00 0.00 C ATOM 308 O ASP A 20 -7.797 -9.264 -3.641 1.00 0.00 O ATOM 309 CB ASP A 20 -8.858 -9.027 -6.715 1.00 0.00 C ATOM 310 CG ASP A 20 -9.983 -8.307 -5.999 1.00 0.00 C ATOM 311 OD1 ASP A 20 -10.178 -7.105 -6.265 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.683 -8.935 -5.176 1.00 0.00 O ATOM 0 H ASP A 20 -6.729 -9.536 -7.830 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.362 -7.847 -5.708 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.767 -8.633 -7.727 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.108 -10.084 -6.805 1.00 0.00 H new ATOM 317 N LYS A 21 -7.195 -11.027 -4.920 1.00 0.00 N ATOM 318 CA LYS A 21 -7.106 -11.970 -3.808 1.00 0.00 C ATOM 319 C LYS A 21 -6.110 -11.485 -2.760 1.00 0.00 C ATOM 320 O LYS A 21 -6.377 -11.542 -1.563 1.00 0.00 O ATOM 321 CB LYS A 21 -6.680 -13.353 -4.310 1.00 0.00 C ATOM 322 CG LYS A 21 -7.632 -13.961 -5.323 1.00 0.00 C ATOM 323 CD LYS A 21 -7.116 -15.295 -5.829 1.00 0.00 C ATOM 324 CE LYS A 21 -8.049 -15.902 -6.866 1.00 0.00 C ATOM 325 NZ LYS A 21 -9.390 -16.198 -6.302 1.00 0.00 N ATOM 0 H LYS A 21 -6.990 -11.436 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.094 -12.039 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.689 -13.277 -4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.593 -14.027 -3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.613 -14.097 -4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.761 -13.276 -6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.126 -15.161 -6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.005 -15.984 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.153 -15.216 -7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.609 -16.820 -7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.931 -16.775 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.283 -16.719 -5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.896 -15.307 -6.125 1.00 0.00 H new ATOM 339 N LEU A 22 -4.960 -11.005 -3.219 1.00 0.00 N ATOM 340 CA LEU A 22 -3.923 -10.516 -2.317 1.00 0.00 C ATOM 341 C LEU A 22 -4.344 -9.184 -1.738 1.00 0.00 C ATOM 342 O LEU A 22 -4.198 -8.934 -0.543 1.00 0.00 O ATOM 343 CB LEU A 22 -2.591 -10.325 -3.052 1.00 0.00 C ATOM 344 CG LEU A 22 -2.375 -11.218 -4.266 1.00 0.00 C ATOM 345 CD1 LEU A 22 -1.055 -10.877 -4.945 1.00 0.00 C ATOM 346 CD2 LEU A 22 -2.410 -12.689 -3.877 1.00 0.00 C ATOM 0 H LEU A 22 -4.722 -10.944 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.790 -11.256 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.518 -9.285 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.779 -10.499 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.188 -11.037 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.914 -11.523 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.070 -9.836 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.235 -11.027 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.253 -13.304 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.623 -12.892 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.379 -12.926 -3.438 1.00 0.00 H new ATOM 358 N LEU A 23 -4.879 -8.337 -2.607 1.00 0.00 N ATOM 359 CA LEU A 23 -5.219 -6.979 -2.237 1.00 0.00 C ATOM 360 C LEU A 23 -6.212 -6.935 -1.083 1.00 0.00 C ATOM 361 O LEU A 23 -5.981 -6.246 -0.101 1.00 0.00 O ATOM 362 CB LEU A 23 -5.755 -6.198 -3.441 1.00 0.00 C ATOM 363 CG LEU A 23 -4.690 -5.735 -4.440 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.327 -4.970 -5.589 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.651 -4.871 -3.742 1.00 0.00 C ATOM 0 H LEU A 23 -5.086 -8.573 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.300 -6.501 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.478 -6.822 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.294 -5.324 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.196 -6.617 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.553 -4.650 -6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.038 -5.615 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.848 -4.095 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.901 -4.549 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.137 -3.996 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.170 -5.447 -2.952 1.00 0.00 H new ATOM 377 N ARG A 24 -7.296 -7.700 -1.177 1.00 0.00 N ATOM 378 CA ARG A 24 -8.332 -7.687 -0.141 1.00 0.00 C ATOM 379 C ARG A 24 -7.789 -8.143 1.219 1.00 0.00 C ATOM 380 O ARG A 24 -8.471 -8.032 2.238 1.00 0.00 O ATOM 381 CB ARG A 24 -9.504 -8.577 -0.552 1.00 0.00 C ATOM 382 CG ARG A 24 -9.165 -10.057 -0.586 1.00 0.00 C ATOM 383 CD ARG A 24 -10.399 -10.898 -0.852 1.00 0.00 C ATOM 384 NE ARG A 24 -11.483 -10.576 0.077 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.331 -11.471 0.576 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.186 -12.761 0.302 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.313 -11.073 1.373 1.00 0.00 N ATOM 0 H ARG A 24 -7.482 -8.334 -1.954 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.673 -6.657 -0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.330 -8.418 0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.853 -8.271 -1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.421 -10.244 -1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.719 -10.352 0.364 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.737 -10.736 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.146 -11.954 -0.764 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.595 -9.603 0.360 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.420 -13.073 -0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.840 -13.441 0.689 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.416 -10.084 1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.966 -11.756 1.758 1.00 0.00 H new ATOM 401 N LYS A 25 -6.564 -8.655 1.223 1.00 0.00 N ATOM 402 CA LYS A 25 -5.922 -9.120 2.444 1.00 0.00 C ATOM 403 C LYS A 25 -4.954 -8.068 2.983 1.00 0.00 C ATOM 404 O LYS A 25 -4.397 -8.223 4.076 1.00 0.00 O ATOM 405 CB LYS A 25 -5.177 -10.427 2.200 1.00 0.00 C ATOM 406 CG LYS A 25 -6.075 -11.564 1.732 1.00 0.00 C ATOM 407 CD LYS A 25 -5.329 -12.885 1.703 1.00 0.00 C ATOM 408 CE LYS A 25 -4.079 -12.799 0.846 1.00 0.00 C ATOM 409 NZ LYS A 25 -3.290 -14.061 0.890 1.00 0.00 N ATOM 0 H LYS A 25 -5.992 -8.759 0.385 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.703 -9.292 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.400 -10.259 1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.676 -10.727 3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.936 -11.646 2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.459 -11.340 0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.056 -13.172 2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.984 -13.666 1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.359 -12.581 -0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.459 -11.971 1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.632 -14.088 0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.751 -14.103 1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.935 -14.875 0.838 1.00 0.00 H new ATOM 423 N VAL A 26 -4.740 -7.014 2.207 1.00 0.00 N ATOM 424 CA VAL A 26 -3.915 -5.899 2.645 1.00 0.00 C ATOM 425 C VAL A 26 -4.702 -5.080 3.654 1.00 0.00 C ATOM 426 O VAL A 26 -5.870 -4.788 3.432 1.00 0.00 O ATOM 427 CB VAL A 26 -3.492 -4.992 1.466 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.534 -3.909 1.932 1.00 0.00 C ATOM 429 CG2 VAL A 26 -2.866 -5.811 0.350 1.00 0.00 C ATOM 0 H VAL A 26 -5.128 -6.909 1.269 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.006 -6.301 3.092 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.389 -4.511 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.251 -3.284 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.020 -3.294 2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.642 -4.370 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.577 -5.151 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.984 -6.328 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.587 -6.543 -0.013 1.00 0.00 H new ATOM 439 N ILE A 27 -4.080 -4.726 4.767 1.00 0.00 N ATOM 440 CA ILE A 27 -4.806 -4.064 5.840 1.00 0.00 C ATOM 441 C ILE A 27 -4.404 -2.600 5.999 1.00 0.00 C ATOM 442 O ILE A 27 -5.179 -1.802 6.531 1.00 0.00 O ATOM 443 CB ILE A 27 -4.633 -4.809 7.183 1.00 0.00 C ATOM 444 CG1 ILE A 27 -3.148 -4.985 7.522 1.00 0.00 C ATOM 445 CG2 ILE A 27 -5.332 -6.162 7.125 1.00 0.00 C ATOM 446 CD1 ILE A 27 -2.900 -5.735 8.816 1.00 0.00 C ATOM 0 H ILE A 27 -3.089 -4.883 4.951 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.858 -4.090 5.556 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.090 -4.211 7.971 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.659 -5.517 6.706 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.681 -4.002 7.587 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.204 -6.679 8.076 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.395 -6.015 6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.898 -6.762 6.325 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.827 -5.820 8.988 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.358 -5.194 9.644 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.336 -6.732 8.748 1.00 0.00 H new ATOM 458 N GLN A 28 -3.206 -2.242 5.533 1.00 0.00 N ATOM 459 CA GLN A 28 -2.719 -0.868 5.645 1.00 0.00 C ATOM 460 C GLN A 28 -1.795 -0.502 4.487 1.00 0.00 C ATOM 461 O GLN A 28 -1.196 -1.375 3.852 1.00 0.00 O ATOM 462 CB GLN A 28 -1.981 -0.656 6.974 1.00 0.00 C ATOM 463 CG GLN A 28 -2.904 -0.489 8.173 1.00 0.00 C ATOM 464 CD GLN A 28 -3.811 0.723 8.045 1.00 0.00 C ATOM 465 OE1 GLN A 28 -3.445 1.723 7.428 1.00 0.00 O ATOM 466 NE2 GLN A 28 -5.000 0.640 8.624 1.00 0.00 N ATOM 0 H GLN A 28 -2.558 -2.883 5.076 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.592 -0.217 5.610 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.321 -1.505 7.151 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.348 0.227 6.890 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.514 -1.385 8.285 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.305 -0.396 9.079 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.265 -0.207 9.126 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.651 1.424 8.568 1.00 0.00 H new ATOM 475 N VAL A 29 -1.687 0.798 4.229 1.00 0.00 N ATOM 476 CA VAL A 29 -0.803 1.326 3.194 1.00 0.00 C ATOM 477 C VAL A 29 0.318 2.123 3.845 1.00 0.00 C ATOM 478 O VAL A 29 0.056 2.999 4.668 1.00 0.00 O ATOM 479 CB VAL A 29 -1.560 2.245 2.207 1.00 0.00 C ATOM 480 CG1 VAL A 29 -0.644 2.706 1.081 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.787 1.544 1.649 1.00 0.00 C ATOM 0 H VAL A 29 -2.210 1.515 4.731 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.402 0.480 2.636 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.892 3.127 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.200 3.351 0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.197 3.259 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.272 1.838 0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.303 2.210 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.482 0.640 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.458 1.279 2.466 1.00 0.00 H new ATOM 491 N GLU A 30 1.557 1.819 3.489 1.00 0.00 N ATOM 492 CA GLU A 30 2.700 2.469 4.112 1.00 0.00 C ATOM 493 C GLU A 30 3.520 3.225 3.074 1.00 0.00 C ATOM 494 O GLU A 30 3.727 2.745 1.958 1.00 0.00 O ATOM 495 CB GLU A 30 3.571 1.429 4.819 1.00 0.00 C ATOM 496 CG GLU A 30 2.765 0.282 5.404 1.00 0.00 C ATOM 497 CD GLU A 30 3.545 -0.537 6.415 1.00 0.00 C ATOM 498 OE1 GLU A 30 4.487 -1.251 6.022 1.00 0.00 O ATOM 499 OE2 GLU A 30 3.216 -0.462 7.621 1.00 0.00 O ATOM 0 H GLU A 30 1.796 1.130 2.776 1.00 0.00 H new ATOM 0 HA GLU A 30 2.334 3.185 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.299 1.031 4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.133 1.915 5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.870 0.681 5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.432 -0.370 4.596 1.00 0.00 H new ATOM 506 N LEU A 31 3.983 4.411 3.441 1.00 0.00 N ATOM 507 CA LEU A 31 4.764 5.228 2.529 1.00 0.00 C ATOM 508 C LEU A 31 6.238 5.211 2.897 1.00 0.00 C ATOM 509 O LEU A 31 6.625 5.613 3.994 1.00 0.00 O ATOM 510 CB LEU A 31 4.252 6.672 2.513 1.00 0.00 C ATOM 511 CG LEU A 31 5.115 7.659 1.717 1.00 0.00 C ATOM 512 CD1 LEU A 31 5.267 7.207 0.275 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.519 9.055 1.768 1.00 0.00 C ATOM 0 H LEU A 31 3.831 4.826 4.360 1.00 0.00 H new ATOM 0 HA LEU A 31 4.650 4.801 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.244 6.679 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.177 7.026 3.541 1.00 0.00 H new ATOM 0 HG LEU A 31 6.103 7.684 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.883 7.924 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.743 6.227 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.284 7.146 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.146 9.740 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.517 9.039 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.465 9.390 2.804 1.00 0.00 H new ATOM 525 N GLN A 32 7.049 4.737 1.970 1.00 0.00 N ATOM 526 CA GLN A 32 8.486 4.837 2.084 1.00 0.00 C ATOM 527 C GLN A 32 8.928 6.171 1.511 1.00 0.00 C ATOM 528 O GLN A 32 8.927 6.364 0.295 1.00 0.00 O ATOM 529 CB GLN A 32 9.156 3.692 1.339 1.00 0.00 C ATOM 530 CG GLN A 32 10.658 3.834 1.233 1.00 0.00 C ATOM 531 CD GLN A 32 11.294 2.623 0.604 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.811 1.503 0.762 1.00 0.00 O ATOM 533 NE2 GLN A 32 12.365 2.839 -0.129 1.00 0.00 N ATOM 0 H GLN A 32 6.728 4.273 1.120 1.00 0.00 H new ATOM 0 HA GLN A 32 8.777 4.774 3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.923 2.755 1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.734 3.626 0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.898 4.718 0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.079 3.990 2.226 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.730 3.786 -0.232 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.830 2.060 -0.595 1.00 0.00 H new ATOM 542 N GLU A 33 9.268 7.097 2.388 1.00 0.00 N ATOM 543 CA GLU A 33 9.641 8.437 1.971 1.00 0.00 C ATOM 544 C GLU A 33 11.033 8.443 1.355 1.00 0.00 C ATOM 545 O GLU A 33 11.920 7.711 1.799 1.00 0.00 O ATOM 546 CB GLU A 33 9.576 9.394 3.161 1.00 0.00 C ATOM 547 CG GLU A 33 8.181 9.509 3.754 1.00 0.00 C ATOM 548 CD GLU A 33 8.122 10.439 4.943 1.00 0.00 C ATOM 549 OE1 GLU A 33 8.164 11.666 4.739 1.00 0.00 O ATOM 550 OE2 GLU A 33 8.022 9.943 6.087 1.00 0.00 O ATOM 0 H GLU A 33 9.294 6.946 3.396 1.00 0.00 H new ATOM 0 HA GLU A 33 8.935 8.773 1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.266 9.053 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.913 10.381 2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.494 9.865 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.837 8.520 4.056 1.00 0.00 H new ATOM 557 N ALA A 34 11.218 9.288 0.346 1.00 0.00 N ATOM 558 CA ALA A 34 12.482 9.354 -0.386 1.00 0.00 C ATOM 559 C ALA A 34 13.537 10.127 0.391 1.00 0.00 C ATOM 560 O ALA A 34 14.635 10.374 -0.111 1.00 0.00 O ATOM 561 CB ALA A 34 12.277 9.995 -1.747 1.00 0.00 C ATOM 0 H ALA A 34 10.507 9.940 0.014 1.00 0.00 H new ATOM 0 HA ALA A 34 12.835 8.331 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.229 10.036 -2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.565 9.405 -2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.890 11.006 -1.619 1.00 0.00 H new ATOM 567 N ASP A 35 13.204 10.502 1.614 1.00 0.00 N ATOM 568 CA ASP A 35 14.128 11.239 2.460 1.00 0.00 C ATOM 569 C ASP A 35 13.765 11.081 3.930 1.00 0.00 C ATOM 570 O ASP A 35 14.633 11.088 4.799 1.00 0.00 O ATOM 571 CB ASP A 35 14.134 12.720 2.076 1.00 0.00 C ATOM 572 CG ASP A 35 15.002 13.555 2.993 1.00 0.00 C ATOM 573 OD1 ASP A 35 16.243 13.504 2.856 1.00 0.00 O ATOM 574 OD2 ASP A 35 14.446 14.272 3.852 1.00 0.00 O ATOM 0 H ASP A 35 12.300 10.308 2.044 1.00 0.00 H new ATOM 0 HA ASP A 35 15.127 10.829 2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.489 12.824 1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.113 13.102 2.100 1.00 0.00 H new ATOM 579 N GLY A 36 12.474 10.915 4.202 1.00 0.00 N ATOM 580 CA GLY A 36 12.012 10.758 5.570 1.00 0.00 C ATOM 581 C GLY A 36 12.395 9.421 6.187 1.00 0.00 C ATOM 582 O GLY A 36 12.010 9.126 7.321 1.00 0.00 O ATOM 0 H GLY A 36 11.737 10.886 3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.424 11.562 6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.927 10.863 5.594 1.00 0.00 H new ATOM 586 N ASP A 37 13.143 8.607 5.450 1.00 0.00 N ATOM 587 CA ASP A 37 13.603 7.315 5.954 1.00 0.00 C ATOM 588 C ASP A 37 14.713 6.775 5.064 1.00 0.00 C ATOM 589 O ASP A 37 15.868 6.664 5.475 1.00 0.00 O ATOM 590 CB ASP A 37 12.449 6.307 5.997 1.00 0.00 C ATOM 591 CG ASP A 37 12.783 5.056 6.794 1.00 0.00 C ATOM 592 OD1 ASP A 37 13.765 4.363 6.459 1.00 0.00 O ATOM 593 OD2 ASP A 37 12.054 4.762 7.765 1.00 0.00 O ATOM 0 H ASP A 37 13.445 8.818 4.499 1.00 0.00 H new ATOM 0 HA ASP A 37 13.982 7.459 6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.572 6.785 6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.184 6.023 4.979 1.00 0.00 H new ATOM 598 N CYS A 38 14.347 6.471 3.830 1.00 0.00 N ATOM 599 CA CYS A 38 15.254 5.852 2.879 1.00 0.00 C ATOM 600 C CYS A 38 15.584 6.849 1.772 1.00 0.00 C ATOM 601 O CYS A 38 14.898 7.856 1.633 1.00 0.00 O ATOM 602 CB CYS A 38 14.575 4.607 2.303 1.00 0.00 C ATOM 603 SG CYS A 38 15.677 3.448 1.423 1.00 0.00 S ATOM 0 H CYS A 38 13.413 6.646 3.460 1.00 0.00 H new ATOM 0 HA CYS A 38 16.184 5.561 3.367 1.00 0.00 H new ATOM 0 HB2 CYS A 38 14.088 4.071 3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.790 4.927 1.617 1.00 0.00 H new ATOM 608 N HIS A 39 16.626 6.586 0.992 1.00 0.00 N ATOM 609 CA HIS A 39 17.003 7.495 -0.094 1.00 0.00 C ATOM 610 C HIS A 39 16.331 7.112 -1.414 1.00 0.00 C ATOM 611 O HIS A 39 16.873 7.349 -2.497 1.00 0.00 O ATOM 612 CB HIS A 39 18.532 7.592 -0.259 1.00 0.00 C ATOM 613 CG HIS A 39 19.257 6.285 -0.415 1.00 0.00 C ATOM 614 ND1 HIS A 39 20.290 5.907 0.415 1.00 0.00 N ATOM 615 CD2 HIS A 39 19.125 5.289 -1.320 1.00 0.00 C ATOM 616 CE1 HIS A 39 20.761 4.741 0.025 1.00 0.00 C ATOM 617 NE2 HIS A 39 20.072 4.340 -1.024 1.00 0.00 N ATOM 0 H HIS A 39 17.221 5.763 1.086 1.00 0.00 H new ATOM 0 HA HIS A 39 16.641 8.484 0.186 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.746 8.211 -1.130 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.940 8.111 0.608 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.408 5.248 -2.126 1.00 0.00 H new ATOM 0 HE1 HIS A 39 21.576 4.203 0.487 1.00 0.00 H new ATOM 0 HE2 HIS A 39 20.218 3.468 -1.533 1.00 0.00 H new ATOM 626 N LEU A 40 15.148 6.527 -1.314 1.00 0.00 N ATOM 627 CA LEU A 40 14.305 6.268 -2.472 1.00 0.00 C ATOM 628 C LEU A 40 12.868 6.107 -2.004 1.00 0.00 C ATOM 629 O LEU A 40 12.630 5.690 -0.867 1.00 0.00 O ATOM 630 CB LEU A 40 14.760 5.025 -3.238 1.00 0.00 C ATOM 631 CG LEU A 40 14.540 3.698 -2.524 1.00 0.00 C ATOM 632 CD1 LEU A 40 13.512 2.861 -3.270 1.00 0.00 C ATOM 633 CD2 LEU A 40 15.855 2.960 -2.394 1.00 0.00 C ATOM 0 H LEU A 40 14.745 6.218 -0.429 1.00 0.00 H new ATOM 0 HA LEU A 40 14.383 7.111 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.235 4.995 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.822 5.126 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 40 14.153 3.889 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.365 1.915 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.566 3.401 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.867 2.666 -4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.691 2.012 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 40 16.266 2.771 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 40 16.557 3.565 -1.820 1.00 0.00 H new ATOM 645 N GLN A 41 11.917 6.435 -2.863 1.00 0.00 N ATOM 646 CA GLN A 41 10.515 6.412 -2.476 1.00 0.00 C ATOM 647 C GLN A 41 9.843 5.127 -2.932 1.00 0.00 C ATOM 648 O GLN A 41 10.151 4.595 -4.001 1.00 0.00 O ATOM 649 CB GLN A 41 9.768 7.617 -3.052 1.00 0.00 C ATOM 650 CG GLN A 41 8.384 7.810 -2.454 1.00 0.00 C ATOM 651 CD GLN A 41 7.701 9.072 -2.939 1.00 0.00 C ATOM 652 OE1 GLN A 41 7.909 9.518 -4.067 1.00 0.00 O ATOM 653 NE2 GLN A 41 6.893 9.664 -2.076 1.00 0.00 N ATOM 0 H GLN A 41 12.088 6.719 -3.828 1.00 0.00 H new ATOM 0 HA GLN A 41 10.476 6.461 -1.388 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.359 8.517 -2.881 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.676 7.496 -4.131 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.763 6.949 -2.703 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.465 7.842 -1.367 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.750 9.259 -1.151 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.413 10.526 -2.335 1.00 0.00 H new ATOM 662 N ALA A 42 8.932 4.633 -2.109 1.00 0.00 N ATOM 663 CA ALA A 42 8.158 3.450 -2.436 1.00 0.00 C ATOM 664 C ALA A 42 6.827 3.476 -1.701 1.00 0.00 C ATOM 665 O ALA A 42 6.704 4.081 -0.640 1.00 0.00 O ATOM 666 CB ALA A 42 8.926 2.186 -2.078 1.00 0.00 C ATOM 0 H ALA A 42 8.710 5.040 -1.200 1.00 0.00 H new ATOM 0 HA ALA A 42 7.973 3.448 -3.510 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.326 1.312 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.862 2.159 -2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.140 2.181 -1.009 1.00 0.00 H new ATOM 672 N PHE A 43 5.827 2.842 -2.276 1.00 0.00 N ATOM 673 CA PHE A 43 4.558 2.665 -1.601 1.00 0.00 C ATOM 674 C PHE A 43 4.374 1.194 -1.275 1.00 0.00 C ATOM 675 O PHE A 43 4.134 0.374 -2.157 1.00 0.00 O ATOM 676 CB PHE A 43 3.405 3.185 -2.454 1.00 0.00 C ATOM 677 CG PHE A 43 3.109 4.646 -2.250 1.00 0.00 C ATOM 678 CD1 PHE A 43 3.816 5.622 -2.935 1.00 0.00 C ATOM 679 CD2 PHE A 43 2.106 5.042 -1.378 1.00 0.00 C ATOM 680 CE1 PHE A 43 3.528 6.963 -2.754 1.00 0.00 C ATOM 681 CE2 PHE A 43 1.816 6.381 -1.193 1.00 0.00 C ATOM 682 CZ PHE A 43 2.528 7.342 -1.883 1.00 0.00 C ATOM 0 H PHE A 43 5.868 2.439 -3.212 1.00 0.00 H new ATOM 0 HA PHE A 43 4.559 3.242 -0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.637 3.014 -3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.509 2.607 -2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.601 5.332 -3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.544 4.295 -0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.086 7.713 -3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.033 6.675 -0.509 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.302 8.389 -1.741 1.00 0.00 H new ATOM 692 N VAL A 44 4.515 0.863 -0.009 1.00 0.00 N ATOM 693 CA VAL A 44 4.566 -0.523 0.408 1.00 0.00 C ATOM 694 C VAL A 44 3.262 -0.922 1.085 1.00 0.00 C ATOM 695 O VAL A 44 2.792 -0.251 2.004 1.00 0.00 O ATOM 696 CB VAL A 44 5.773 -0.756 1.343 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.937 -2.230 1.687 1.00 0.00 C ATOM 698 CG2 VAL A 44 7.034 -0.214 0.685 1.00 0.00 C ATOM 0 H VAL A 44 4.597 1.537 0.752 1.00 0.00 H new ATOM 0 HA VAL A 44 4.693 -1.152 -0.473 1.00 0.00 H new ATOM 0 HB VAL A 44 5.595 -0.225 2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.796 -2.356 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.038 -2.589 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.094 -2.802 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.887 -0.378 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.201 -0.730 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.918 0.854 0.500 1.00 0.00 H new ATOM 708 N LEU A 45 2.665 -1.997 0.603 1.00 0.00 N ATOM 709 CA LEU A 45 1.382 -2.449 1.109 1.00 0.00 C ATOM 710 C LEU A 45 1.575 -3.519 2.160 1.00 0.00 C ATOM 711 O LEU A 45 2.314 -4.485 1.949 1.00 0.00 O ATOM 712 CB LEU A 45 0.508 -2.977 -0.027 1.00 0.00 C ATOM 713 CG LEU A 45 0.051 -1.914 -1.022 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.868 -2.513 -2.074 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.637 -0.776 -0.286 1.00 0.00 C ATOM 0 H LEU A 45 3.051 -2.576 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 45 0.877 -1.597 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.061 -3.747 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.372 -3.457 0.402 1.00 0.00 H new ATOM 0 HG LEU A 45 0.927 -1.519 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.179 -1.735 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.338 -3.295 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.747 -2.939 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.960 -0.022 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.504 -1.161 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.059 -0.328 0.423 1.00 0.00 H new ATOM 727 N HIS A 46 0.905 -3.355 3.285 1.00 0.00 N ATOM 728 CA HIS A 46 1.060 -4.284 4.386 1.00 0.00 C ATOM 729 C HIS A 46 -0.181 -5.149 4.548 1.00 0.00 C ATOM 730 O HIS A 46 -1.254 -4.666 4.911 1.00 0.00 O ATOM 731 CB HIS A 46 1.363 -3.541 5.692 1.00 0.00 C ATOM 732 CG HIS A 46 1.637 -4.462 6.845 1.00 0.00 C ATOM 733 ND1 HIS A 46 0.921 -4.436 8.024 1.00 0.00 N ATOM 734 CD2 HIS A 46 2.551 -5.451 6.985 1.00 0.00 C ATOM 735 CE1 HIS A 46 1.382 -5.369 8.837 1.00 0.00 C ATOM 736 NE2 HIS A 46 2.370 -5.998 8.232 1.00 0.00 N ATOM 0 H HIS A 46 0.252 -2.591 3.459 1.00 0.00 H new ATOM 0 HA HIS A 46 1.904 -4.933 4.155 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.225 -2.891 5.541 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.519 -2.898 5.941 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.285 -5.753 6.253 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.012 -5.581 9.829 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.912 -6.767 8.626 1.00 0.00 H new ATOM 745 N LEU A 47 -0.021 -6.425 4.263 1.00 0.00 N ATOM 746 CA LEU A 47 -1.060 -7.405 4.510 1.00 0.00 C ATOM 747 C LEU A 47 -0.877 -7.936 5.919 1.00 0.00 C ATOM 748 O LEU A 47 0.188 -7.768 6.508 1.00 0.00 O ATOM 749 CB LEU A 47 -0.979 -8.575 3.515 1.00 0.00 C ATOM 750 CG LEU A 47 -1.099 -8.218 2.029 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.196 -7.621 1.492 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.493 -9.447 1.226 1.00 0.00 C ATOM 0 H LEU A 47 0.830 -6.812 3.855 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.033 -6.930 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.029 -9.087 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.768 -9.286 3.760 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.877 -7.462 1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.075 -7.380 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.436 -6.714 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.005 -8.342 1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.575 -9.182 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.734 -10.220 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.453 -9.822 1.582 1.00 0.00 H new ATOM 764 N ALA A 48 -1.885 -8.602 6.449 1.00 0.00 N ATOM 765 CA ALA A 48 -1.783 -9.174 7.787 1.00 0.00 C ATOM 766 C ALA A 48 -0.880 -10.408 7.783 1.00 0.00 C ATOM 767 O ALA A 48 -0.675 -11.046 8.812 1.00 0.00 O ATOM 768 CB ALA A 48 -3.162 -9.518 8.324 1.00 0.00 C ATOM 0 H ALA A 48 -2.778 -8.762 5.983 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.334 -8.430 8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.068 -9.944 9.323 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.770 -8.615 8.370 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.639 -10.243 7.664 1.00 0.00 H new ATOM 774 N GLN A 49 -0.348 -10.741 6.612 1.00 0.00 N ATOM 775 CA GLN A 49 0.537 -11.885 6.477 1.00 0.00 C ATOM 776 C GLN A 49 1.932 -11.452 6.032 1.00 0.00 C ATOM 777 O GLN A 49 2.918 -12.114 6.349 1.00 0.00 O ATOM 778 CB GLN A 49 -0.001 -12.897 5.454 1.00 0.00 C ATOM 779 CG GLN A 49 -1.472 -13.262 5.606 1.00 0.00 C ATOM 780 CD GLN A 49 -2.379 -12.374 4.773 1.00 0.00 C ATOM 781 OE1 GLN A 49 -2.604 -12.630 3.593 1.00 0.00 O ATOM 782 NE2 GLN A 49 -2.939 -11.356 5.391 1.00 0.00 N ATOM 0 H GLN A 49 -0.516 -10.233 5.744 1.00 0.00 H new ATOM 0 HA GLN A 49 0.589 -12.354 7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.154 -12.493 4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.591 -13.809 5.525 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.617 -14.302 5.313 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.756 -13.184 6.655 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.727 -11.176 6.372 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.585 -10.747 4.889 1.00 0.00 H new ATOM 791 N ARG A 50 2.020 -10.342 5.301 1.00 0.00 N ATOM 792 CA ARG A 50 3.265 -9.987 4.623 1.00 0.00 C ATOM 793 C ARG A 50 3.248 -8.540 4.148 1.00 0.00 C ATOM 794 O ARG A 50 2.235 -7.857 4.264 1.00 0.00 O ATOM 795 CB ARG A 50 3.467 -10.917 3.424 1.00 0.00 C ATOM 796 CG ARG A 50 2.386 -10.771 2.362 1.00 0.00 C ATOM 797 CD ARG A 50 1.904 -12.124 1.860 1.00 0.00 C ATOM 798 NE ARG A 50 2.999 -12.932 1.329 1.00 0.00 N ATOM 799 CZ ARG A 50 2.996 -14.264 1.296 1.00 0.00 C ATOM 800 NH1 ARG A 50 1.943 -14.946 1.732 1.00 0.00 N ATOM 801 NH2 ARG A 50 4.053 -14.916 0.830 1.00 0.00 N ATOM 0 H ARG A 50 1.255 -9.681 5.164 1.00 0.00 H new ATOM 0 HA ARG A 50 4.086 -10.099 5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.439 -10.713 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.487 -11.949 3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.544 -10.215 2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.774 -10.190 1.526 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.419 -12.661 2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.153 -11.976 1.084 1.00 0.00 H new ATOM 0 HE ARG A 50 3.817 -12.446 0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.129 -14.450 2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.948 -15.966 1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.866 -14.398 0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.053 -15.936 0.804 1.00 0.00 H new ATOM 815 N SER A 51 4.371 -8.089 3.599 1.00 0.00 N ATOM 816 CA SER A 51 4.478 -6.741 3.051 1.00 0.00 C ATOM 817 C SER A 51 4.996 -6.801 1.616 1.00 0.00 C ATOM 818 O SER A 51 5.891 -7.591 1.302 1.00 0.00 O ATOM 819 CB SER A 51 5.424 -5.895 3.910 1.00 0.00 C ATOM 820 OG SER A 51 5.144 -6.048 5.294 1.00 0.00 O ATOM 0 H SER A 51 5.225 -8.641 3.521 1.00 0.00 H new ATOM 0 HA SER A 51 3.490 -6.281 3.055 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.456 -6.186 3.712 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.329 -4.845 3.632 1.00 0.00 H new ATOM 0 HG SER A 51 5.764 -5.498 5.816 1.00 0.00 H new ATOM 826 N ILE A 52 4.426 -5.980 0.746 1.00 0.00 N ATOM 827 CA ILE A 52 4.828 -5.947 -0.655 1.00 0.00 C ATOM 828 C ILE A 52 5.196 -4.521 -1.055 1.00 0.00 C ATOM 829 O ILE A 52 4.486 -3.578 -0.720 1.00 0.00 O ATOM 830 CB ILE A 52 3.702 -6.474 -1.578 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.289 -7.889 -1.159 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.150 -6.459 -3.034 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.140 -8.457 -1.967 1.00 0.00 C ATOM 0 H ILE A 52 3.681 -5.325 0.985 1.00 0.00 H new ATOM 0 HA ILE A 52 5.695 -6.597 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 52 2.839 -5.816 -1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.150 -8.551 -1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.009 -7.879 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.345 -6.833 -3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.398 -5.439 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.028 -7.094 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.906 -9.460 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.264 -7.818 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.422 -8.502 -3.019 1.00 0.00 H new ATOM 845 N CYS A 53 6.285 -4.365 -1.793 1.00 0.00 N ATOM 846 CA CYS A 53 6.780 -3.038 -2.130 1.00 0.00 C ATOM 847 C CYS A 53 6.362 -2.657 -3.542 1.00 0.00 C ATOM 848 O CYS A 53 6.697 -3.335 -4.513 1.00 0.00 O ATOM 849 CB CYS A 53 8.308 -2.989 -2.028 1.00 0.00 C ATOM 850 SG CYS A 53 8.980 -3.431 -0.392 1.00 0.00 S ATOM 0 H CYS A 53 6.840 -5.135 -2.168 1.00 0.00 H new ATOM 0 HA CYS A 53 6.350 -2.331 -1.421 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.730 -3.664 -2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.643 -1.984 -2.283 1.00 0.00 H new ATOM 855 N ILE A 54 5.633 -1.560 -3.640 1.00 0.00 N ATOM 856 CA ILE A 54 5.107 -1.092 -4.906 1.00 0.00 C ATOM 857 C ILE A 54 5.794 0.203 -5.339 1.00 0.00 C ATOM 858 O ILE A 54 6.114 1.058 -4.512 1.00 0.00 O ATOM 859 CB ILE A 54 3.572 -0.887 -4.810 1.00 0.00 C ATOM 860 CG1 ILE A 54 2.840 -2.207 -5.070 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.084 0.202 -5.751 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.331 -2.075 -5.061 1.00 0.00 C ATOM 0 H ILE A 54 5.390 -0.970 -2.844 1.00 0.00 H new ATOM 0 HA ILE A 54 5.311 -1.851 -5.661 1.00 0.00 H new ATOM 0 HB ILE A 54 3.345 -0.557 -3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.156 -2.604 -6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.137 -2.933 -4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.004 0.312 -5.651 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.570 1.145 -5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.328 -0.069 -6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.879 -3.049 -5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.004 -1.708 -4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.022 -1.374 -5.836 1.00 0.00 H new ATOM 874 N HIS A 55 6.047 0.314 -6.637 1.00 0.00 N ATOM 875 CA HIS A 55 6.579 1.536 -7.229 1.00 0.00 C ATOM 876 C HIS A 55 5.581 2.680 -7.034 1.00 0.00 C ATOM 877 O HIS A 55 4.411 2.532 -7.367 1.00 0.00 O ATOM 878 CB HIS A 55 6.848 1.289 -8.718 1.00 0.00 C ATOM 879 CG HIS A 55 7.337 2.482 -9.479 1.00 0.00 C ATOM 880 ND1 HIS A 55 6.525 3.224 -10.309 1.00 0.00 N ATOM 881 CD2 HIS A 55 8.566 3.043 -9.558 1.00 0.00 C ATOM 882 CE1 HIS A 55 7.232 4.187 -10.864 1.00 0.00 C ATOM 883 NE2 HIS A 55 8.472 4.100 -10.427 1.00 0.00 N ATOM 0 H HIS A 55 5.890 -0.438 -7.308 1.00 0.00 H new ATOM 0 HA HIS A 55 7.514 1.816 -6.743 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.584 0.491 -8.811 1.00 0.00 H new ATOM 0 HB3 HIS A 55 5.929 0.932 -9.183 1.00 0.00 H new ATOM 0 HD1 HIS A 55 5.532 3.054 -10.469 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.454 2.719 -9.035 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.858 4.924 -11.560 1.00 0.00 H new ATOM 892 N PRO A 56 6.031 3.825 -6.485 1.00 0.00 N ATOM 893 CA PRO A 56 5.149 4.954 -6.147 1.00 0.00 C ATOM 894 C PRO A 56 4.178 5.317 -7.265 1.00 0.00 C ATOM 895 O PRO A 56 2.959 5.281 -7.073 1.00 0.00 O ATOM 896 CB PRO A 56 6.127 6.100 -5.890 1.00 0.00 C ATOM 897 CG PRO A 56 7.372 5.432 -5.424 1.00 0.00 C ATOM 898 CD PRO A 56 7.439 4.112 -6.146 1.00 0.00 C ATOM 0 HA PRO A 56 4.506 4.718 -5.299 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.304 6.681 -6.795 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.742 6.789 -5.139 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.247 6.042 -5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.353 5.284 -4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.061 4.175 -7.039 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.866 3.332 -5.515 1.00 0.00 H new ATOM 906 N GLN A 57 4.709 5.656 -8.430 1.00 0.00 N ATOM 907 CA GLN A 57 3.870 5.950 -9.581 1.00 0.00 C ATOM 908 C GLN A 57 3.358 4.653 -10.201 1.00 0.00 C ATOM 909 O GLN A 57 3.841 4.212 -11.245 1.00 0.00 O ATOM 910 CB GLN A 57 4.633 6.783 -10.614 1.00 0.00 C ATOM 911 CG GLN A 57 4.991 8.179 -10.129 1.00 0.00 C ATOM 912 CD GLN A 57 3.768 9.054 -9.909 1.00 0.00 C ATOM 913 OE1 GLN A 57 3.318 9.746 -10.821 1.00 0.00 O ATOM 914 NE2 GLN A 57 3.225 9.037 -8.701 1.00 0.00 N ATOM 0 H GLN A 57 5.711 5.734 -8.603 1.00 0.00 H new ATOM 0 HA GLN A 57 3.015 6.537 -9.246 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.548 6.257 -10.888 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.030 6.866 -11.518 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.551 8.103 -9.197 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.647 8.655 -10.857 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.626 8.450 -7.970 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.405 9.611 -8.502 1.00 0.00 H new ATOM 923 N ASN A 58 2.421 4.021 -9.508 1.00 0.00 N ATOM 924 CA ASN A 58 1.784 2.800 -9.984 1.00 0.00 C ATOM 925 C ASN A 58 0.279 2.916 -9.862 1.00 0.00 C ATOM 926 O ASN A 58 -0.231 3.395 -8.846 1.00 0.00 O ATOM 927 CB ASN A 58 2.247 1.571 -9.191 1.00 0.00 C ATOM 928 CG ASN A 58 3.411 0.846 -9.835 1.00 0.00 C ATOM 929 OD1 ASN A 58 4.255 1.450 -10.490 1.00 0.00 O ATOM 930 ND2 ASN A 58 3.465 -0.466 -9.649 1.00 0.00 N ATOM 0 H ASN A 58 2.081 4.340 -8.601 1.00 0.00 H new ATOM 0 HA ASN A 58 2.072 2.672 -11.027 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.533 1.882 -8.186 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.411 0.880 -9.085 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.227 -1.008 -10.057 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.745 -0.933 -9.098 1.00 0.00 H new ATOM 937 N PRO A 59 -0.456 2.464 -10.886 1.00 0.00 N ATOM 938 CA PRO A 59 -1.919 2.459 -10.864 1.00 0.00 C ATOM 939 C PRO A 59 -2.463 1.591 -9.735 1.00 0.00 C ATOM 940 O PRO A 59 -3.517 1.877 -9.176 1.00 0.00 O ATOM 941 CB PRO A 59 -2.307 1.870 -12.228 1.00 0.00 C ATOM 942 CG PRO A 59 -1.084 1.170 -12.716 1.00 0.00 C ATOM 943 CD PRO A 59 0.079 1.935 -12.151 1.00 0.00 C ATOM 0 HA PRO A 59 -2.328 3.455 -10.693 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.145 1.179 -12.134 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.615 2.653 -12.921 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.068 0.132 -12.383 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.050 1.156 -13.805 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.943 1.292 -11.986 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.399 2.734 -12.819 1.00 0.00 H new ATOM 951 N SER A 60 -1.710 0.552 -9.386 1.00 0.00 N ATOM 952 CA SER A 60 -2.142 -0.417 -8.391 1.00 0.00 C ATOM 953 C SER A 60 -2.250 0.206 -7.000 1.00 0.00 C ATOM 954 O SER A 60 -3.107 -0.187 -6.218 1.00 0.00 O ATOM 955 CB SER A 60 -1.179 -1.609 -8.364 1.00 0.00 C ATOM 956 OG SER A 60 -1.643 -2.630 -7.493 1.00 0.00 O ATOM 0 H SER A 60 -0.790 0.361 -9.783 1.00 0.00 H new ATOM 0 HA SER A 60 -3.136 -0.762 -8.675 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.067 -2.011 -9.371 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.193 -1.275 -8.042 1.00 0.00 H new ATOM 0 HG SER A 60 -0.885 -3.009 -7.000 1.00 0.00 H new ATOM 962 N LEU A 61 -1.398 1.179 -6.697 1.00 0.00 N ATOM 963 CA LEU A 61 -1.390 1.780 -5.367 1.00 0.00 C ATOM 964 C LEU A 61 -2.513 2.815 -5.245 1.00 0.00 C ATOM 965 O LEU A 61 -3.261 2.819 -4.268 1.00 0.00 O ATOM 966 CB LEU A 61 -0.015 2.410 -5.077 1.00 0.00 C ATOM 967 CG LEU A 61 0.361 2.603 -3.592 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.565 3.588 -2.902 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.362 1.272 -2.852 1.00 0.00 C ATOM 0 H LEU A 61 -0.711 1.565 -7.345 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.568 1.003 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.749 1.788 -5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.023 3.383 -5.567 1.00 0.00 H new ATOM 0 HG LEU A 61 1.369 3.017 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.268 3.697 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.503 4.556 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.590 3.220 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.630 1.436 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.631 0.825 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.087 0.601 -3.312 1.00 0.00 H new ATOM 981 N SER A 62 -2.645 3.679 -6.247 1.00 0.00 N ATOM 982 CA SER A 62 -3.684 4.706 -6.233 1.00 0.00 C ATOM 983 C SER A 62 -5.075 4.068 -6.267 1.00 0.00 C ATOM 984 O SER A 62 -5.967 4.399 -5.460 1.00 0.00 O ATOM 985 CB SER A 62 -3.491 5.661 -7.417 1.00 0.00 C ATOM 986 OG SER A 62 -3.220 4.947 -8.615 1.00 0.00 O ATOM 0 H SER A 62 -2.050 3.690 -7.075 1.00 0.00 H new ATOM 0 HA SER A 62 -3.602 5.277 -5.308 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.387 6.268 -7.547 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.670 6.346 -7.205 1.00 0.00 H new ATOM 0 HG SER A 62 -3.103 5.580 -9.354 1.00 0.00 H new ATOM 992 N GLN A 63 -5.248 3.118 -7.181 1.00 0.00 N ATOM 993 CA GLN A 63 -6.498 2.394 -7.291 1.00 0.00 C ATOM 994 C GLN A 63 -6.766 1.654 -5.991 1.00 0.00 C ATOM 995 O GLN A 63 -7.914 1.438 -5.624 1.00 0.00 O ATOM 996 CB GLN A 63 -6.464 1.406 -8.464 1.00 0.00 C ATOM 997 CG GLN A 63 -5.781 0.085 -8.133 1.00 0.00 C ATOM 998 CD GLN A 63 -5.620 -0.839 -9.324 1.00 0.00 C ATOM 999 OE1 GLN A 63 -5.692 -2.057 -9.182 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -5.376 -0.279 -10.499 1.00 0.00 N ATOM 0 H GLN A 63 -4.535 2.836 -7.854 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.300 3.108 -7.480 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.485 1.206 -8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.948 1.871 -9.304 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.798 0.292 -7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.357 -0.428 -7.363 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.323 0.737 -10.579 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.241 -0.863 -11.324 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.693 1.284 -5.286 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.829 0.556 -4.042 1.00 0.00 C ATOM 1011 C TRP A 64 -6.563 1.394 -3.007 1.00 0.00 C ATOM 1012 O TRP A 64 -7.396 0.869 -2.281 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.473 0.088 -3.496 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.600 -0.657 -2.202 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.891 -0.447 -1.055 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.523 -1.713 -1.913 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.313 -1.309 -0.077 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.315 -2.094 -0.578 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.507 -2.372 -2.656 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.056 -3.099 0.029 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.239 -3.369 -2.053 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.012 -3.722 -0.722 1.00 0.00 C ATOM 0 H TRP A 64 -4.731 1.480 -5.561 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.418 -0.336 -4.253 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -3.990 -0.552 -4.234 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.825 0.953 -3.351 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.111 0.291 -0.936 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.940 -1.357 0.871 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.690 -2.103 -3.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.883 -3.378 1.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.000 -3.886 -2.618 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.606 -4.506 -0.275 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.290 2.697 -2.966 1.00 0.00 N ATOM 1034 CA PHE A 65 -7.008 3.582 -2.051 1.00 0.00 C ATOM 1035 C PHE A 65 -8.512 3.446 -2.261 1.00 0.00 C ATOM 1036 O PHE A 65 -9.287 3.375 -1.302 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.597 5.042 -2.243 1.00 0.00 C ATOM 1038 CG PHE A 65 -5.174 5.338 -1.867 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -4.729 5.153 -0.566 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.285 5.804 -2.815 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -3.418 5.432 -0.224 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -2.977 6.086 -2.479 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.541 5.900 -1.183 1.00 0.00 C ATOM 0 H PHE A 65 -5.588 3.158 -3.546 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.749 3.285 -1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.749 5.316 -3.287 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.257 5.674 -1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.412 4.788 0.186 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.618 5.950 -3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.081 5.284 0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.294 6.453 -3.231 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.517 6.120 -0.919 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.921 3.383 -3.523 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.336 3.191 -3.841 1.00 0.00 C ATOM 1055 C GLU A 66 -10.766 1.739 -3.600 1.00 0.00 C ATOM 1056 O GLU A 66 -11.852 1.469 -3.074 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.618 3.568 -5.290 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.358 5.026 -5.612 1.00 0.00 C ATOM 1059 CD GLU A 66 -10.709 5.353 -7.043 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -9.862 5.132 -7.930 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -11.846 5.814 -7.291 1.00 0.00 O ATOM 0 H GLU A 66 -8.306 3.460 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.910 3.841 -3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.003 2.948 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.658 3.336 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.941 5.656 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.308 5.256 -5.433 1.00 0.00 H new ATOM 1068 N HIS A 67 -9.907 0.808 -3.988 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.207 -0.615 -3.875 1.00 0.00 C ATOM 1070 C HIS A 67 -10.374 -1.040 -2.419 1.00 0.00 C ATOM 1071 O HIS A 67 -11.321 -1.748 -2.087 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.119 -1.461 -4.548 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.231 -1.538 -6.044 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -8.965 -2.686 -6.755 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -9.557 -0.599 -6.966 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -9.120 -2.451 -8.044 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -9.479 -1.193 -8.201 1.00 0.00 N ATOM 0 H HIS A 67 -8.991 1.013 -4.386 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.153 -0.786 -4.389 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.143 -1.049 -4.289 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.157 -2.471 -4.140 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.828 0.427 -6.766 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.977 -3.169 -8.838 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.668 -0.736 -9.093 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.466 -0.599 -1.552 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.531 -0.949 -0.137 1.00 0.00 C ATOM 1088 C GLN A 68 -10.736 -0.289 0.514 1.00 0.00 C ATOM 1089 O GLN A 68 -11.269 -0.788 1.502 1.00 0.00 O ATOM 1090 CB GLN A 68 -8.255 -0.531 0.607 1.00 0.00 C ATOM 1091 CG GLN A 68 -8.039 0.972 0.675 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.882 1.363 1.571 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.922 0.614 1.737 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -6.963 2.548 2.152 1.00 0.00 N ATOM 0 H GLN A 68 -8.679 -0.001 -1.804 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.626 -2.033 -0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.293 -0.928 1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.396 -0.989 0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.858 1.353 -0.330 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.950 1.448 1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.777 3.141 1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.212 2.869 2.763 1.00 0.00 H new ATOM 1103 N GLU A 69 -11.162 0.832 -0.058 1.00 0.00 N ATOM 1104 CA GLU A 69 -12.340 1.535 0.425 1.00 0.00 C ATOM 1105 C GLU A 69 -13.558 0.616 0.386 1.00 0.00 C ATOM 1106 O GLU A 69 -14.427 0.678 1.262 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.582 2.780 -0.427 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.769 3.614 0.010 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.964 4.818 -0.879 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -14.657 4.696 -1.910 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -13.412 5.892 -0.560 1.00 0.00 O ATOM 0 H GLU A 69 -10.707 1.272 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.175 1.840 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.687 3.402 -0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.729 2.474 -1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.670 3.001 -0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.624 3.942 1.039 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.608 -0.259 -0.616 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.709 -1.207 -0.731 1.00 0.00 C ATOM 1120 C ARG A 70 -14.290 -2.628 -0.336 1.00 0.00 C ATOM 1121 O ARG A 70 -15.037 -3.587 -0.551 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.306 -1.189 -2.141 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.288 -1.278 -3.267 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.979 -1.382 -4.617 1.00 0.00 C ATOM 1125 NE ARG A 70 -14.062 -1.174 -5.732 1.00 0.00 N ATOM 1126 CZ ARG A 70 -14.058 -1.906 -6.845 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -14.887 -2.934 -6.977 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -13.222 -1.602 -7.826 1.00 0.00 N ATOM 0 H ARG A 70 -12.906 -0.330 -1.352 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.478 -0.888 -0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.004 -2.021 -2.235 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.883 -0.273 -2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.644 -0.399 -3.251 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.646 -2.146 -3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.442 -2.365 -4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.781 -0.646 -4.668 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.380 -0.420 -5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.533 -3.168 -6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.878 -3.490 -7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.586 -0.811 -7.727 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.214 -2.159 -8.681 1.00 0.00 H new ATOM 1142 N LYS A 71 -13.106 -2.759 0.253 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.627 -4.047 0.761 1.00 0.00 C ATOM 1144 C LYS A 71 -12.202 -3.914 2.219 1.00 0.00 C ATOM 1145 O LYS A 71 -12.621 -2.973 2.897 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.461 -4.556 -0.083 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.842 -4.810 -1.521 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.638 -5.170 -2.360 1.00 0.00 C ATOM 1149 CE LYS A 71 -11.007 -5.207 -3.824 1.00 0.00 C ATOM 1150 NZ LYS A 71 -11.847 -6.390 -4.166 1.00 0.00 N ATOM 0 H LYS A 71 -12.455 -1.986 0.393 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.442 -4.768 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.651 -3.828 -0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.078 -5.478 0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.573 -5.617 -1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.321 -3.922 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.843 -4.442 -2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.249 -6.141 -2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.545 -4.295 -4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.098 -5.224 -4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.653 -6.682 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.622 -7.174 -3.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.852 -6.141 -4.071 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.363 -4.850 2.689 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.897 -4.874 4.076 1.00 0.00 C ATOM 1166 C LEU A 72 -12.061 -4.988 5.056 1.00 0.00 C ATOM 1167 O LEU A 72 -12.402 -6.077 5.514 1.00 0.00 O ATOM 1168 CB LEU A 72 -10.068 -3.622 4.397 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.652 -3.576 3.813 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.669 -3.666 2.297 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -7.961 -2.302 4.251 1.00 0.00 C ATOM 0 H LEU A 72 -10.992 -5.608 2.116 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.266 -5.756 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.614 -2.749 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.994 -3.529 5.481 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.103 -4.439 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.647 -3.630 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.136 -4.603 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.236 -2.829 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.954 -2.272 3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.527 -1.441 3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.904 -2.275 5.339 1.00 0.00 H new