USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 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 HD1:sc= -0.895 K(o=-1.4,f=-2) USER MOD Set 1.2: A 58 ASN : amide:sc= -0.541 K(o=-1.4,f=-2.1!) USER MOD Single : A 11 THR OG1 : rot -15:sc= 0.834 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.492 F(o=-2,f=-0.49) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.0685 (180deg=-0.482) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.86) USER MOD Single : A 32 GLN : amide:sc= 0.932 K(o=0.93,f=-13!) USER MOD Single : A 39 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.067) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 46 HIS : no HE2:sc= 0.709 K(o=0.71,f=-4.3!) USER MOD Single : A 49 GLN : amide:sc= -3.32! C(o=-3.3!,f=-3.1!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN :FLIP amide:sc= -0.588 F(o=-1.2,f=-0.59) USER MOD Single : A 60 SER OG : rot -120:sc= 0.879 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00472 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 0.649 K(o=0.65,f=-3!) USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.23) USER MOD ----------------------------------------------------------------- ATOM 124 N CYS A 9 11.995 0.992 4.061 1.00 0.00 N ATOM 125 CA CYS A 9 13.270 1.161 3.380 1.00 0.00 C ATOM 126 C CYS A 9 13.423 0.077 2.326 1.00 0.00 C ATOM 127 O CYS A 9 14.263 -0.820 2.431 1.00 0.00 O ATOM 128 CB CYS A 9 14.460 1.140 4.340 1.00 0.00 C ATOM 129 SG CYS A 9 15.979 1.876 3.636 1.00 0.00 S ATOM 0 HA CYS A 9 13.267 2.145 2.911 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.193 1.679 5.249 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.665 0.109 4.629 1.00 0.00 H new ATOM 134 N CYS A 10 12.558 0.146 1.340 1.00 0.00 N ATOM 135 CA CYS A 10 12.572 -0.773 0.227 1.00 0.00 C ATOM 136 C CYS A 10 13.517 -0.280 -0.851 1.00 0.00 C ATOM 137 O CYS A 10 13.386 0.841 -1.339 1.00 0.00 O ATOM 138 CB CYS A 10 11.165 -0.923 -0.340 1.00 0.00 C ATOM 139 SG CYS A 10 11.094 -1.806 -1.927 1.00 0.00 S ATOM 0 H CYS A 10 11.819 0.847 1.288 1.00 0.00 H new ATOM 0 HA CYS A 10 12.920 -1.744 0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.547 -1.452 0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.729 0.068 -0.468 1.00 0.00 H new ATOM 144 N THR A 11 14.481 -1.109 -1.195 1.00 0.00 N ATOM 145 CA THR A 11 15.410 -0.789 -2.258 1.00 0.00 C ATOM 146 C THR A 11 15.210 -1.731 -3.448 1.00 0.00 C ATOM 147 O THR A 11 15.945 -1.673 -4.436 1.00 0.00 O ATOM 148 CB THR A 11 16.867 -0.841 -1.739 1.00 0.00 C ATOM 149 OG1 THR A 11 17.798 -0.619 -2.805 1.00 0.00 O ATOM 150 CG2 THR A 11 17.164 -2.170 -1.058 1.00 0.00 C ATOM 0 H THR A 11 14.642 -2.013 -0.751 1.00 0.00 H new ATOM 0 HA THR A 11 15.213 0.227 -2.599 1.00 0.00 H new ATOM 0 HB THR A 11 16.979 -0.045 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.342 -0.726 -3.666 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.195 -2.175 -0.705 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.490 -2.304 -0.212 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.020 -2.983 -1.769 1.00 0.00 H new ATOM 158 N GLN A 12 14.185 -2.575 -3.363 1.00 0.00 N ATOM 159 CA GLN A 12 13.859 -3.504 -4.440 1.00 0.00 C ATOM 160 C GLN A 12 12.356 -3.521 -4.717 1.00 0.00 C ATOM 161 O GLN A 12 11.584 -4.218 -4.060 1.00 0.00 O ATOM 162 CB GLN A 12 14.409 -4.918 -4.163 1.00 0.00 C ATOM 163 CG GLN A 12 14.514 -5.318 -2.688 1.00 0.00 C ATOM 164 CD GLN A 12 13.174 -5.463 -1.998 1.00 0.00 C ATOM 165 OE1 GLN A 12 12.755 -4.424 -1.300 1.00 0.00 O flip ATOM 166 NE2 GLN A 12 12.544 -6.518 -2.051 1.00 0.00 N flip ATOM 0 H GLN A 12 13.564 -2.634 -2.556 1.00 0.00 H new ATOM 0 HA GLN A 12 14.354 -3.147 -5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.771 -5.641 -4.671 1.00 0.00 H new ATOM 0 HB3 GLN A 12 15.399 -4.996 -4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.054 -6.262 -2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 12 15.105 -4.570 -2.160 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.902 -7.298 -2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.664 -6.612 -1.544 1.00 0.00 H new ATOM 175 N LEU A 13 11.952 -2.724 -5.695 1.00 0.00 N ATOM 176 CA LEU A 13 10.542 -2.552 -6.028 1.00 0.00 C ATOM 177 C LEU A 13 9.995 -3.767 -6.773 1.00 0.00 C ATOM 178 O LEU A 13 10.690 -4.369 -7.593 1.00 0.00 O ATOM 179 CB LEU A 13 10.367 -1.297 -6.887 1.00 0.00 C ATOM 180 CG LEU A 13 10.856 0.004 -6.247 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.913 1.116 -7.280 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.950 0.399 -5.094 1.00 0.00 C ATOM 0 H LEU A 13 12.587 -2.180 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 13 9.983 -2.446 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.899 -1.443 -7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.310 -1.188 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 13 11.862 -0.158 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.263 2.034 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.599 0.835 -8.079 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.918 1.278 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.311 1.326 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.935 0.544 -5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.953 -0.390 -4.342 1.00 0.00 H new ATOM 194 N TYR A 14 8.746 -4.125 -6.488 1.00 0.00 N ATOM 195 CA TYR A 14 8.102 -5.239 -7.171 1.00 0.00 C ATOM 196 C TYR A 14 7.705 -4.815 -8.582 1.00 0.00 C ATOM 197 O TYR A 14 7.779 -5.607 -9.520 1.00 0.00 O ATOM 198 CB TYR A 14 6.875 -5.714 -6.387 1.00 0.00 C ATOM 199 CG TYR A 14 6.392 -7.090 -6.777 1.00 0.00 C ATOM 200 CD1 TYR A 14 7.216 -8.199 -6.631 1.00 0.00 C ATOM 201 CD2 TYR A 14 5.116 -7.284 -7.288 1.00 0.00 C ATOM 202 CE1 TYR A 14 6.783 -9.462 -6.980 1.00 0.00 C ATOM 203 CE2 TYR A 14 4.671 -8.547 -7.637 1.00 0.00 C ATOM 204 CZ TYR A 14 5.512 -9.631 -7.482 1.00 0.00 C ATOM 205 OH TYR A 14 5.080 -10.893 -7.826 1.00 0.00 O ATOM 0 H TYR A 14 8.163 -3.661 -5.791 1.00 0.00 H new ATOM 0 HA TYR A 14 8.805 -6.070 -7.235 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.113 -5.712 -5.323 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.064 -5.000 -6.534 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.213 -8.070 -6.237 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.460 -6.436 -7.415 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.437 -10.313 -6.860 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.673 -8.684 -8.028 1.00 0.00 H new ATOM 0 HH TYR A 14 4.161 -10.844 -8.163 1.00 0.00 H new ATOM 215 N ARG A 15 7.271 -3.553 -8.705 1.00 0.00 N ATOM 216 CA ARG A 15 6.978 -2.916 -10.002 1.00 0.00 C ATOM 217 C ARG A 15 5.701 -3.449 -10.658 1.00 0.00 C ATOM 218 O ARG A 15 5.133 -2.796 -11.535 1.00 0.00 O ATOM 219 CB ARG A 15 8.158 -3.074 -10.967 1.00 0.00 C ATOM 220 CG ARG A 15 9.418 -2.343 -10.529 1.00 0.00 C ATOM 221 CD ARG A 15 10.585 -2.648 -11.454 1.00 0.00 C ATOM 222 NE ARG A 15 10.945 -4.065 -11.429 1.00 0.00 N ATOM 223 CZ ARG A 15 11.497 -4.717 -12.449 1.00 0.00 C ATOM 224 NH1 ARG A 15 11.764 -4.085 -13.587 1.00 0.00 N ATOM 225 NH2 ARG A 15 11.786 -6.007 -12.322 1.00 0.00 N ATOM 0 H ARG A 15 7.112 -2.940 -7.905 1.00 0.00 H new ATOM 0 HA ARG A 15 6.817 -1.859 -9.789 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.385 -4.134 -11.076 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.861 -2.708 -11.950 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.232 -1.269 -10.517 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.674 -2.634 -9.510 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.327 -2.357 -12.472 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.447 -2.049 -11.160 1.00 0.00 H new ATOM 0 HE ARG A 15 10.761 -4.588 -10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.546 -3.093 -13.683 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.187 -4.592 -14.365 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.585 -6.491 -11.447 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.209 -6.514 -13.099 1.00 0.00 H new ATOM 239 N LYS A 16 5.252 -4.621 -10.244 1.00 0.00 N ATOM 240 CA LYS A 16 4.081 -5.240 -10.843 1.00 0.00 C ATOM 241 C LYS A 16 2.804 -4.837 -10.115 1.00 0.00 C ATOM 242 O LYS A 16 2.837 -4.468 -8.941 1.00 0.00 O ATOM 243 CB LYS A 16 4.210 -6.760 -10.821 1.00 0.00 C ATOM 244 CG LYS A 16 5.365 -7.293 -11.643 1.00 0.00 C ATOM 245 CD LYS A 16 5.308 -8.804 -11.717 1.00 0.00 C ATOM 246 CE LYS A 16 6.469 -9.382 -12.502 1.00 0.00 C ATOM 247 NZ LYS A 16 6.358 -10.860 -12.616 1.00 0.00 N ATOM 0 H LYS A 16 5.681 -5.164 -9.495 1.00 0.00 H new ATOM 0 HA LYS A 16 4.021 -4.891 -11.874 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.330 -7.089 -9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.283 -7.198 -11.190 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.329 -6.872 -12.648 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.310 -6.980 -11.200 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.313 -9.216 -10.708 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.370 -9.108 -12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.495 -8.939 -13.497 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.408 -9.122 -12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.166 -11.228 -13.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.357 -11.282 -11.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.473 -11.105 -13.104 1.00 0.00 H new ATOM 261 N PRO A 17 1.660 -4.895 -10.815 1.00 0.00 N ATOM 262 CA PRO A 17 0.351 -4.692 -10.198 1.00 0.00 C ATOM 263 C PRO A 17 -0.087 -5.922 -9.405 1.00 0.00 C ATOM 264 O PRO A 17 0.162 -7.058 -9.813 1.00 0.00 O ATOM 265 CB PRO A 17 -0.569 -4.463 -11.397 1.00 0.00 C ATOM 266 CG PRO A 17 0.073 -5.214 -12.514 1.00 0.00 C ATOM 267 CD PRO A 17 1.556 -5.157 -12.265 1.00 0.00 C ATOM 0 HA PRO A 17 0.344 -3.868 -9.485 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.576 -4.831 -11.200 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.657 -3.402 -11.632 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.277 -6.246 -12.540 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.177 -4.768 -13.477 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.044 -6.093 -12.538 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.030 -4.368 -12.849 1.00 0.00 H new ATOM 275 N LEU A 18 -0.732 -5.694 -8.276 1.00 0.00 N ATOM 276 CA LEU A 18 -1.136 -6.782 -7.403 1.00 0.00 C ATOM 277 C LEU A 18 -2.585 -7.179 -7.668 1.00 0.00 C ATOM 278 O LEU A 18 -3.426 -6.335 -7.980 1.00 0.00 O ATOM 279 CB LEU A 18 -0.946 -6.373 -5.941 1.00 0.00 C ATOM 280 CG LEU A 18 0.489 -5.986 -5.566 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.564 -5.520 -4.120 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.440 -7.150 -5.797 1.00 0.00 C ATOM 0 H LEU A 18 -0.988 -4.765 -7.941 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.509 -7.649 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.603 -5.531 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.264 -7.197 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 18 0.793 -5.160 -6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.592 -5.251 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.080 -4.651 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.234 -6.323 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.452 -6.852 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.133 -7.998 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.417 -7.436 -6.849 1.00 0.00 H new ATOM 294 N SER A 19 -2.863 -8.471 -7.561 1.00 0.00 N ATOM 295 CA SER A 19 -4.199 -8.998 -7.808 1.00 0.00 C ATOM 296 C SER A 19 -5.159 -8.589 -6.691 1.00 0.00 C ATOM 297 O SER A 19 -4.777 -8.543 -5.523 1.00 0.00 O ATOM 298 CB SER A 19 -4.134 -10.519 -7.918 1.00 0.00 C ATOM 299 OG SER A 19 -3.161 -10.916 -8.870 1.00 0.00 O ATOM 0 H SER A 19 -2.175 -9.179 -7.303 1.00 0.00 H new ATOM 0 HA SER A 19 -4.573 -8.583 -8.744 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.893 -10.948 -6.945 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.110 -10.909 -8.206 1.00 0.00 H new ATOM 0 HG SER A 19 -3.135 -11.894 -8.923 1.00 0.00 H new ATOM 305 N ASP A 20 -6.410 -8.316 -7.057 1.00 0.00 N ATOM 306 CA ASP A 20 -7.414 -7.825 -6.106 1.00 0.00 C ATOM 307 C ASP A 20 -7.666 -8.843 -4.995 1.00 0.00 C ATOM 308 O ASP A 20 -7.980 -8.476 -3.860 1.00 0.00 O ATOM 309 CB ASP A 20 -8.727 -7.522 -6.832 1.00 0.00 C ATOM 310 CG ASP A 20 -9.709 -6.729 -5.985 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.543 -5.492 -5.867 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.674 -7.329 -5.459 1.00 0.00 O ATOM 0 H ASP A 20 -6.757 -8.426 -8.010 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.028 -6.910 -5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.511 -6.965 -7.744 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.193 -8.460 -7.134 1.00 0.00 H new ATOM 317 N LYS A 21 -7.516 -10.122 -5.325 1.00 0.00 N ATOM 318 CA LYS A 21 -7.707 -11.194 -4.355 1.00 0.00 C ATOM 319 C LYS A 21 -6.688 -11.104 -3.223 1.00 0.00 C ATOM 320 O LYS A 21 -7.045 -11.206 -2.053 1.00 0.00 O ATOM 321 CB LYS A 21 -7.614 -12.556 -5.041 1.00 0.00 C ATOM 322 CG LYS A 21 -8.778 -12.835 -5.976 1.00 0.00 C ATOM 323 CD LYS A 21 -8.649 -14.192 -6.645 1.00 0.00 C ATOM 324 CE LYS A 21 -9.895 -14.535 -7.439 1.00 0.00 C ATOM 325 NZ LYS A 21 -11.104 -14.602 -6.575 1.00 0.00 N ATOM 0 H LYS A 21 -7.262 -10.442 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.702 -11.081 -3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.683 -12.609 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.571 -13.336 -4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.712 -12.793 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.827 -12.057 -6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.782 -14.193 -7.306 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.475 -14.958 -5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.046 -13.787 -8.217 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.754 -15.493 -7.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.850 -15.137 -7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.866 -15.076 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.443 -13.639 -6.376 1.00 0.00 H new ATOM 339 N LEU A 22 -5.421 -10.912 -3.564 1.00 0.00 N ATOM 340 CA LEU A 22 -4.396 -10.747 -2.544 1.00 0.00 C ATOM 341 C LEU A 22 -4.509 -9.363 -1.908 1.00 0.00 C ATOM 342 O LEU A 22 -4.124 -9.163 -0.757 1.00 0.00 O ATOM 343 CB LEU A 22 -2.987 -11.008 -3.110 1.00 0.00 C ATOM 344 CG LEU A 22 -2.483 -10.052 -4.195 1.00 0.00 C ATOM 345 CD1 LEU A 22 -1.904 -8.783 -3.585 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.442 -10.744 -5.059 1.00 0.00 C ATOM 0 H LEU A 22 -5.082 -10.867 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.559 -11.492 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.279 -10.982 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.967 -12.020 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.331 -9.768 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.554 -8.124 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.674 -8.275 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.069 -9.041 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.091 -10.055 -5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.602 -11.054 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.886 -11.620 -5.533 1.00 0.00 H new ATOM 358 N LEU A 23 -5.047 -8.411 -2.668 1.00 0.00 N ATOM 359 CA LEU A 23 -5.249 -7.056 -2.173 1.00 0.00 C ATOM 360 C LEU A 23 -6.232 -7.036 -1.011 1.00 0.00 C ATOM 361 O LEU A 23 -6.004 -6.349 -0.029 1.00 0.00 O ATOM 362 CB LEU A 23 -5.744 -6.123 -3.279 1.00 0.00 C ATOM 363 CG LEU A 23 -4.697 -5.723 -4.321 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.317 -4.819 -5.375 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.519 -5.031 -3.651 1.00 0.00 C ATOM 0 H LEU A 23 -5.351 -8.556 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.280 -6.698 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.576 -6.605 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.136 -5.217 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.333 -6.626 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.560 -4.543 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.130 -5.346 -5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.706 -3.919 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.783 -4.753 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.868 -4.135 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.061 -5.708 -2.930 1.00 0.00 H new ATOM 377 N ARG A 24 -7.313 -7.806 -1.101 1.00 0.00 N ATOM 378 CA ARG A 24 -8.317 -7.824 -0.027 1.00 0.00 C ATOM 379 C ARG A 24 -7.734 -8.377 1.281 1.00 0.00 C ATOM 380 O ARG A 24 -8.398 -8.394 2.321 1.00 0.00 O ATOM 381 CB ARG A 24 -9.552 -8.632 -0.435 1.00 0.00 C ATOM 382 CG ARG A 24 -9.339 -10.135 -0.462 1.00 0.00 C ATOM 383 CD ARG A 24 -10.623 -10.864 -0.823 1.00 0.00 C ATOM 384 NE ARG A 24 -11.726 -10.502 0.073 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.999 -10.830 -0.136 1.00 0.00 C ATOM 386 NH1 ARG A 24 -13.338 -11.572 -1.184 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.933 -10.432 0.722 1.00 0.00 N ATOM 0 H ARG A 24 -7.520 -8.418 -1.890 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.619 -6.791 0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.364 -8.405 0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.874 -8.305 -1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.561 -10.382 -1.185 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.987 -10.473 0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.898 -10.628 -1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.455 -11.940 -0.776 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.503 -9.964 0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.621 -11.894 -1.834 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.315 -11.820 -1.339 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.673 -9.877 1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.909 -10.682 0.565 1.00 0.00 H new ATOM 401 N LYS A 25 -6.490 -8.820 1.208 1.00 0.00 N ATOM 402 CA LYS A 25 -5.758 -9.330 2.357 1.00 0.00 C ATOM 403 C LYS A 25 -4.758 -8.288 2.860 1.00 0.00 C ATOM 404 O LYS A 25 -4.019 -8.524 3.816 1.00 0.00 O ATOM 405 CB LYS A 25 -5.040 -10.617 1.967 1.00 0.00 C ATOM 406 CG LYS A 25 -5.991 -11.762 1.661 1.00 0.00 C ATOM 407 CD LYS A 25 -5.350 -12.812 0.768 1.00 0.00 C ATOM 408 CE LYS A 25 -3.970 -13.219 1.258 1.00 0.00 C ATOM 409 NZ LYS A 25 -3.451 -14.404 0.525 1.00 0.00 N ATOM 0 H LYS A 25 -5.954 -8.836 0.341 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.459 -9.542 3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.416 -10.427 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.373 -10.913 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.311 -12.226 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.885 -11.371 1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.992 -13.692 0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.273 -12.424 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.280 -12.384 1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.014 -13.442 2.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.508 -14.651 0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.096 -15.208 0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.385 -14.183 -0.489 1.00 0.00 H new ATOM 423 N VAL A 26 -4.734 -7.144 2.190 1.00 0.00 N ATOM 424 CA VAL A 26 -3.936 -6.006 2.621 1.00 0.00 C ATOM 425 C VAL A 26 -4.752 -5.188 3.610 1.00 0.00 C ATOM 426 O VAL A 26 -5.943 -4.988 3.406 1.00 0.00 O ATOM 427 CB VAL A 26 -3.533 -5.103 1.432 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.579 -4.009 1.878 1.00 0.00 C ATOM 429 CG2 VAL A 26 -2.915 -5.921 0.309 1.00 0.00 C ATOM 0 H VAL A 26 -5.266 -6.980 1.335 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.022 -6.383 3.081 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.440 -4.633 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.312 -3.389 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.061 -3.393 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.678 -4.459 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.641 -5.261 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.024 -6.430 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.636 -6.659 -0.043 1.00 0.00 H new ATOM 439 N ILE A 27 -4.127 -4.728 4.680 1.00 0.00 N ATOM 440 CA ILE A 27 -4.856 -4.019 5.721 1.00 0.00 C ATOM 441 C ILE A 27 -4.426 -2.559 5.839 1.00 0.00 C ATOM 442 O ILE A 27 -5.194 -1.724 6.309 1.00 0.00 O ATOM 443 CB ILE A 27 -4.706 -4.719 7.087 1.00 0.00 C ATOM 444 CG1 ILE A 27 -3.226 -4.906 7.444 1.00 0.00 C ATOM 445 CG2 ILE A 27 -5.432 -6.058 7.068 1.00 0.00 C ATOM 446 CD1 ILE A 27 -3.000 -5.632 8.754 1.00 0.00 C ATOM 0 H ILE A 27 -3.127 -4.830 4.852 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.905 -4.037 5.426 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.156 -4.089 7.854 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.736 -5.460 6.643 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.748 -3.928 7.494 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.321 -6.546 8.036 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.490 -5.895 6.863 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.005 -6.692 6.291 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.930 -5.726 8.938 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.460 -5.069 9.566 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.448 -6.624 8.702 1.00 0.00 H new ATOM 458 N GLN A 28 -3.211 -2.247 5.399 1.00 0.00 N ATOM 459 CA GLN A 28 -2.684 -0.888 5.521 1.00 0.00 C ATOM 460 C GLN A 28 -1.834 -0.504 4.316 1.00 0.00 C ATOM 461 O GLN A 28 -1.322 -1.366 3.601 1.00 0.00 O ATOM 462 CB GLN A 28 -1.840 -0.747 6.794 1.00 0.00 C ATOM 463 CG GLN A 28 -2.648 -0.647 8.076 1.00 0.00 C ATOM 464 CD GLN A 28 -3.565 0.564 8.093 1.00 0.00 C ATOM 465 OE1 GLN A 28 -3.279 1.583 7.464 1.00 0.00 O ATOM 466 NE2 GLN A 28 -4.662 0.469 8.825 1.00 0.00 N ATOM 0 H GLN A 28 -2.575 -2.911 4.957 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.541 -0.217 5.572 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.170 -1.604 6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.214 0.141 6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.244 -1.552 8.198 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.969 -0.596 8.927 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.864 -0.393 9.332 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.306 1.258 8.883 1.00 0.00 H new ATOM 475 N VAL A 29 -1.700 0.797 4.096 1.00 0.00 N ATOM 476 CA VAL A 29 -0.786 1.324 3.090 1.00 0.00 C ATOM 477 C VAL A 29 0.284 2.149 3.792 1.00 0.00 C ATOM 478 O VAL A 29 -0.032 3.088 4.525 1.00 0.00 O ATOM 479 CB VAL A 29 -1.501 2.216 2.046 1.00 0.00 C ATOM 480 CG1 VAL A 29 -0.558 2.567 0.900 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.759 1.547 1.518 1.00 0.00 C ATOM 0 H VAL A 29 -2.218 1.513 4.606 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.354 0.477 2.556 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.797 3.139 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.081 3.194 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.305 3.106 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.223 1.652 0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.238 2.198 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.497 0.601 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.446 1.361 2.344 1.00 0.00 H new ATOM 491 N GLU A 30 1.540 1.790 3.596 1.00 0.00 N ATOM 492 CA GLU A 30 2.636 2.479 4.259 1.00 0.00 C ATOM 493 C GLU A 30 3.545 3.167 3.243 1.00 0.00 C ATOM 494 O GLU A 30 4.083 2.531 2.333 1.00 0.00 O ATOM 495 CB GLU A 30 3.408 1.504 5.156 1.00 0.00 C ATOM 496 CG GLU A 30 3.550 0.100 4.581 1.00 0.00 C ATOM 497 CD GLU A 30 3.975 -0.910 5.631 1.00 0.00 C ATOM 498 OE1 GLU A 30 3.166 -1.215 6.534 1.00 0.00 O ATOM 499 OE2 GLU A 30 5.118 -1.402 5.566 1.00 0.00 O ATOM 0 H GLU A 30 1.828 1.026 2.984 1.00 0.00 H new ATOM 0 HA GLU A 30 2.226 3.262 4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.402 1.910 5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.904 1.440 6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.600 -0.210 4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.282 0.112 3.774 1.00 0.00 H new ATOM 506 N LEU A 31 3.701 4.477 3.399 1.00 0.00 N ATOM 507 CA LEU A 31 4.427 5.281 2.432 1.00 0.00 C ATOM 508 C LEU A 31 5.889 5.427 2.820 1.00 0.00 C ATOM 509 O LEU A 31 6.218 5.927 3.897 1.00 0.00 O ATOM 510 CB LEU A 31 3.775 6.663 2.296 1.00 0.00 C ATOM 511 CG LEU A 31 4.525 7.661 1.406 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.743 7.091 0.013 1.00 0.00 C ATOM 513 CD2 LEU A 31 3.761 8.973 1.325 1.00 0.00 C ATOM 0 H LEU A 31 3.331 5.003 4.191 1.00 0.00 H new ATOM 0 HA LEU A 31 4.384 4.769 1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.768 6.533 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.671 7.096 3.291 1.00 0.00 H new ATOM 0 HG LEU A 31 5.501 7.848 1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.277 7.818 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.330 6.175 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.779 6.870 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.305 9.672 0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.772 8.793 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.657 9.396 2.324 1.00 0.00 H new ATOM 525 N GLN A 32 6.754 4.987 1.926 1.00 0.00 N ATOM 526 CA GLN A 32 8.184 5.125 2.090 1.00 0.00 C ATOM 527 C GLN A 32 8.650 6.423 1.449 1.00 0.00 C ATOM 528 O GLN A 32 8.470 6.637 0.247 1.00 0.00 O ATOM 529 CB GLN A 32 8.881 3.938 1.453 1.00 0.00 C ATOM 530 CG GLN A 32 10.384 4.069 1.399 1.00 0.00 C ATOM 531 CD GLN A 32 11.018 2.843 0.807 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.514 1.736 0.977 1.00 0.00 O ATOM 533 NE2 GLN A 32 12.105 3.026 0.088 1.00 0.00 N ATOM 0 H GLN A 32 6.480 4.521 1.061 1.00 0.00 H new ATOM 0 HA GLN A 32 8.432 5.152 3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.624 3.037 2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.501 3.806 0.440 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.654 4.943 0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.773 4.233 2.404 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.489 3.964 -0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.564 2.230 -0.355 1.00 0.00 H new ATOM 542 N GLU A 33 9.233 7.287 2.256 1.00 0.00 N ATOM 543 CA GLU A 33 9.659 8.593 1.796 1.00 0.00 C ATOM 544 C GLU A 33 11.003 8.498 1.082 1.00 0.00 C ATOM 545 O GLU A 33 11.824 7.639 1.400 1.00 0.00 O ATOM 546 CB GLU A 33 9.735 9.554 2.979 1.00 0.00 C ATOM 547 CG GLU A 33 8.411 9.695 3.715 1.00 0.00 C ATOM 548 CD GLU A 33 8.506 10.619 4.909 1.00 0.00 C ATOM 549 OE1 GLU A 33 8.834 10.142 6.016 1.00 0.00 O ATOM 550 OE2 GLU A 33 8.248 11.830 4.745 1.00 0.00 O ATOM 0 H GLU A 33 9.424 7.105 3.241 1.00 0.00 H new ATOM 0 HA GLU A 33 8.930 8.975 1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.497 9.204 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.054 10.534 2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.655 10.073 3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.077 8.712 4.046 1.00 0.00 H new ATOM 557 N ALA A 34 11.229 9.405 0.139 1.00 0.00 N ATOM 558 CA ALA A 34 12.404 9.349 -0.728 1.00 0.00 C ATOM 559 C ALA A 34 13.664 9.802 -0.003 1.00 0.00 C ATOM 560 O ALA A 34 14.771 9.667 -0.520 1.00 0.00 O ATOM 561 CB ALA A 34 12.183 10.205 -1.963 1.00 0.00 C ATOM 0 H ALA A 34 10.610 10.194 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 34 12.545 8.310 -1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.065 10.156 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.316 9.836 -2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.009 11.238 -1.663 1.00 0.00 H new ATOM 567 N ASP A 35 13.485 10.328 1.194 1.00 0.00 N ATOM 568 CA ASP A 35 14.591 10.875 1.966 1.00 0.00 C ATOM 569 C ASP A 35 14.366 10.644 3.454 1.00 0.00 C ATOM 570 O ASP A 35 15.161 11.079 4.289 1.00 0.00 O ATOM 571 CB ASP A 35 14.733 12.377 1.696 1.00 0.00 C ATOM 572 CG ASP A 35 13.523 13.167 2.160 1.00 0.00 C ATOM 573 OD1 ASP A 35 12.524 13.247 1.407 1.00 0.00 O ATOM 574 OD2 ASP A 35 13.560 13.716 3.279 1.00 0.00 O ATOM 0 H ASP A 35 12.579 10.389 1.658 1.00 0.00 H new ATOM 0 HA ASP A 35 15.506 10.367 1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.623 12.751 2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.881 12.539 0.628 1.00 0.00 H new ATOM 579 N GLY A 36 13.289 9.936 3.776 1.00 0.00 N ATOM 580 CA GLY A 36 12.914 9.736 5.163 1.00 0.00 C ATOM 581 C GLY A 36 13.783 8.709 5.853 1.00 0.00 C ATOM 582 O GLY A 36 14.789 9.050 6.473 1.00 0.00 O ATOM 0 H GLY A 36 12.667 9.496 3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.984 10.684 5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.872 9.419 5.213 1.00 0.00 H new ATOM 586 N ASP A 37 13.400 7.449 5.740 1.00 0.00 N ATOM 587 CA ASP A 37 14.152 6.362 6.357 1.00 0.00 C ATOM 588 C ASP A 37 14.880 5.565 5.294 1.00 0.00 C ATOM 589 O ASP A 37 15.493 4.536 5.580 1.00 0.00 O ATOM 590 CB ASP A 37 13.228 5.435 7.148 1.00 0.00 C ATOM 591 CG ASP A 37 12.533 6.141 8.289 1.00 0.00 C ATOM 592 OD1 ASP A 37 13.133 6.258 9.380 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.380 6.582 8.105 1.00 0.00 O ATOM 0 H ASP A 37 12.571 7.150 5.226 1.00 0.00 H new ATOM 0 HA ASP A 37 14.876 6.800 7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.480 5.015 6.476 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.808 4.600 7.542 1.00 0.00 H new ATOM 598 N CYS A 38 14.807 6.051 4.065 1.00 0.00 N ATOM 599 CA CYS A 38 15.420 5.386 2.932 1.00 0.00 C ATOM 600 C CYS A 38 15.657 6.406 1.827 1.00 0.00 C ATOM 601 O CYS A 38 14.970 7.423 1.770 1.00 0.00 O ATOM 602 CB CYS A 38 14.499 4.267 2.437 1.00 0.00 C ATOM 603 SG CYS A 38 15.362 2.749 1.902 1.00 0.00 S ATOM 0 H CYS A 38 14.322 6.916 3.828 1.00 0.00 H new ATOM 0 HA CYS A 38 16.374 4.949 3.226 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.801 4.010 3.234 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.906 4.645 1.604 1.00 0.00 H new ATOM 608 N HIS A 39 16.626 6.145 0.958 1.00 0.00 N ATOM 609 CA HIS A 39 16.937 7.057 -0.142 1.00 0.00 C ATOM 610 C HIS A 39 16.168 6.671 -1.404 1.00 0.00 C ATOM 611 O HIS A 39 16.681 6.774 -2.520 1.00 0.00 O ATOM 612 CB HIS A 39 18.452 7.093 -0.419 1.00 0.00 C ATOM 613 CG HIS A 39 19.094 5.759 -0.698 1.00 0.00 C ATOM 614 ND1 HIS A 39 20.202 5.302 -0.014 1.00 0.00 N ATOM 615 CD2 HIS A 39 18.800 4.796 -1.607 1.00 0.00 C ATOM 616 CE1 HIS A 39 20.557 4.122 -0.491 1.00 0.00 C ATOM 617 NE2 HIS A 39 19.724 3.791 -1.458 1.00 0.00 N ATOM 0 H HIS A 39 17.211 5.310 0.991 1.00 0.00 H new ATOM 0 HA HIS A 39 16.623 8.058 0.156 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.632 7.748 -1.271 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.950 7.543 0.440 1.00 0.00 H new ATOM 0 HD2 HIS A 39 17.987 4.816 -2.318 1.00 0.00 H new ATOM 0 HE1 HIS A 39 21.390 3.528 -0.146 1.00 0.00 H new ATOM 0 HE2 HIS A 39 19.760 2.931 -2.005 1.00 0.00 H new ATOM 626 N LEU A 40 14.928 6.249 -1.218 1.00 0.00 N ATOM 627 CA LEU A 40 14.101 5.780 -2.318 1.00 0.00 C ATOM 628 C LEU A 40 12.633 5.895 -1.924 1.00 0.00 C ATOM 629 O LEU A 40 12.274 5.593 -0.788 1.00 0.00 O ATOM 630 CB LEU A 40 14.480 4.327 -2.655 1.00 0.00 C ATOM 631 CG LEU A 40 13.873 3.741 -3.937 1.00 0.00 C ATOM 632 CD1 LEU A 40 14.792 2.672 -4.509 1.00 0.00 C ATOM 633 CD2 LEU A 40 12.500 3.141 -3.668 1.00 0.00 C ATOM 0 H LEU A 40 14.469 6.222 -0.308 1.00 0.00 H new ATOM 0 HA LEU A 40 14.266 6.389 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 40 15.566 4.267 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.185 3.694 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 40 13.762 4.551 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.352 2.263 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 40 15.762 3.112 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 40 14.922 1.874 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.093 2.733 -4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.589 2.345 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.833 3.915 -3.289 1.00 0.00 H new ATOM 645 N GLN A 41 11.795 6.348 -2.847 1.00 0.00 N ATOM 646 CA GLN A 41 10.370 6.490 -2.578 1.00 0.00 C ATOM 647 C GLN A 41 9.616 5.254 -3.038 1.00 0.00 C ATOM 648 O GLN A 41 9.766 4.807 -4.178 1.00 0.00 O ATOM 649 CB GLN A 41 9.814 7.732 -3.277 1.00 0.00 C ATOM 650 CG GLN A 41 8.321 7.938 -3.069 1.00 0.00 C ATOM 651 CD GLN A 41 7.816 9.217 -3.709 1.00 0.00 C ATOM 652 OE1 GLN A 41 7.418 9.229 -4.873 1.00 0.00 O ATOM 653 NE2 GLN A 41 7.825 10.305 -2.951 1.00 0.00 N ATOM 0 H GLN A 41 12.077 6.623 -3.788 1.00 0.00 H new ATOM 0 HA GLN A 41 10.235 6.603 -1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.347 8.611 -2.913 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.015 7.657 -4.346 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.779 7.089 -3.485 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.106 7.961 -2.001 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.163 10.254 -1.990 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.494 11.193 -3.329 1.00 0.00 H new ATOM 662 N ALA A 42 8.796 4.710 -2.153 1.00 0.00 N ATOM 663 CA ALA A 42 8.044 3.509 -2.457 1.00 0.00 C ATOM 664 C ALA A 42 6.691 3.530 -1.769 1.00 0.00 C ATOM 665 O ALA A 42 6.519 4.152 -0.721 1.00 0.00 O ATOM 666 CB ALA A 42 8.822 2.271 -2.035 1.00 0.00 C ATOM 0 H ALA A 42 8.636 5.084 -1.218 1.00 0.00 H new ATOM 0 HA ALA A 42 7.885 3.476 -3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.242 1.379 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.772 2.238 -2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.011 2.308 -0.962 1.00 0.00 H new ATOM 672 N PHE A 43 5.731 2.857 -2.368 1.00 0.00 N ATOM 673 CA PHE A 43 4.437 2.669 -1.752 1.00 0.00 C ATOM 674 C PHE A 43 4.287 1.214 -1.355 1.00 0.00 C ATOM 675 O PHE A 43 4.056 0.348 -2.195 1.00 0.00 O ATOM 676 CB PHE A 43 3.312 3.091 -2.695 1.00 0.00 C ATOM 677 CG PHE A 43 2.986 4.555 -2.632 1.00 0.00 C ATOM 678 CD1 PHE A 43 3.704 5.477 -3.376 1.00 0.00 C ATOM 679 CD2 PHE A 43 1.950 5.004 -1.832 1.00 0.00 C ATOM 680 CE1 PHE A 43 3.392 6.822 -3.322 1.00 0.00 C ATOM 681 CE2 PHE A 43 1.634 6.347 -1.771 1.00 0.00 C ATOM 682 CZ PHE A 43 2.356 7.259 -2.517 1.00 0.00 C ATOM 0 H PHE A 43 5.825 2.428 -3.289 1.00 0.00 H new ATOM 0 HA PHE A 43 4.369 3.298 -0.864 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.591 2.834 -3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.416 2.518 -2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.516 5.141 -4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.381 4.295 -1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.957 7.532 -3.908 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.824 6.684 -1.141 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.112 8.310 -2.471 1.00 0.00 H new ATOM 692 N VAL A 44 4.455 0.943 -0.078 1.00 0.00 N ATOM 693 CA VAL A 44 4.468 -0.422 0.405 1.00 0.00 C ATOM 694 C VAL A 44 3.090 -0.815 0.927 1.00 0.00 C ATOM 695 O VAL A 44 2.448 -0.057 1.655 1.00 0.00 O ATOM 696 CB VAL A 44 5.537 -0.599 1.503 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.646 -2.053 1.944 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.878 -0.088 0.998 1.00 0.00 C ATOM 0 H VAL A 44 4.585 1.650 0.645 1.00 0.00 H new ATOM 0 HA VAL A 44 4.721 -1.080 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 44 5.237 -0.017 2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.408 -2.142 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.686 -2.386 2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.922 -2.672 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.632 -0.214 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.172 -0.652 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.792 0.968 0.744 1.00 0.00 H new ATOM 708 N LEU A 45 2.626 -1.984 0.528 1.00 0.00 N ATOM 709 CA LEU A 45 1.318 -2.456 0.942 1.00 0.00 C ATOM 710 C LEU A 45 1.441 -3.460 2.071 1.00 0.00 C ATOM 711 O LEU A 45 2.119 -4.482 1.948 1.00 0.00 O ATOM 712 CB LEU A 45 0.558 -3.049 -0.242 1.00 0.00 C ATOM 713 CG LEU A 45 0.093 -2.014 -1.264 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.712 -2.667 -2.372 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.726 -0.932 -0.575 1.00 0.00 C ATOM 0 H LEU A 45 3.135 -2.624 -0.082 1.00 0.00 H new ATOM 0 HA LEU A 45 0.748 -1.604 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.197 -3.777 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.311 -3.591 0.132 1.00 0.00 H new ATOM 0 HG LEU A 45 0.973 -1.556 -1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.031 -1.908 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.096 -3.408 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.589 -3.155 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.053 -0.199 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.597 -1.382 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.115 -0.439 0.181 1.00 0.00 H new ATOM 727 N HIS A 46 0.782 -3.148 3.171 1.00 0.00 N ATOM 728 CA HIS A 46 0.853 -3.955 4.373 1.00 0.00 C ATOM 729 C HIS A 46 -0.279 -4.970 4.392 1.00 0.00 C ATOM 730 O HIS A 46 -1.403 -4.654 4.784 1.00 0.00 O ATOM 731 CB HIS A 46 0.769 -3.041 5.600 1.00 0.00 C ATOM 732 CG HIS A 46 1.055 -3.705 6.914 1.00 0.00 C ATOM 733 ND1 HIS A 46 2.004 -3.236 7.791 1.00 0.00 N ATOM 734 CD2 HIS A 46 0.489 -4.777 7.516 1.00 0.00 C ATOM 735 CE1 HIS A 46 2.008 -3.985 8.876 1.00 0.00 C ATOM 736 NE2 HIS A 46 1.097 -4.927 8.736 1.00 0.00 N ATOM 0 H HIS A 46 0.182 -2.327 3.256 1.00 0.00 H new ATOM 0 HA HIS A 46 1.799 -4.497 4.391 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.470 -2.217 5.468 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.230 -2.606 5.641 1.00 0.00 H new ATOM 0 HD1 HIS A 46 2.611 -2.433 7.628 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.296 -5.399 7.111 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.649 -3.850 9.734 1.00 0.00 H new ATOM 745 N LEU A 47 0.013 -6.177 3.946 1.00 0.00 N ATOM 746 CA LEU A 47 -0.942 -7.266 4.019 1.00 0.00 C ATOM 747 C LEU A 47 -0.997 -7.784 5.445 1.00 0.00 C ATOM 748 O LEU A 47 -0.122 -7.479 6.256 1.00 0.00 O ATOM 749 CB LEU A 47 -0.574 -8.412 3.064 1.00 0.00 C ATOM 750 CG LEU A 47 -0.646 -8.084 1.569 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.559 -7.268 1.125 1.00 0.00 C ATOM 752 CD2 LEU A 47 -0.755 -9.361 0.751 1.00 0.00 C ATOM 0 H LEU A 47 0.908 -6.429 3.527 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.918 -6.885 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.439 -8.742 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.237 -9.254 3.264 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.539 -7.482 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.479 -7.051 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.591 -6.333 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.471 -7.835 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.805 -9.111 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.118 -9.987 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.656 -9.902 1.039 1.00 0.00 H new ATOM 764 N ALA A 48 -1.997 -8.588 5.744 1.00 0.00 N ATOM 765 CA ALA A 48 -2.209 -9.060 7.107 1.00 0.00 C ATOM 766 C ALA A 48 -1.088 -9.994 7.547 1.00 0.00 C ATOM 767 O ALA A 48 -0.891 -10.229 8.740 1.00 0.00 O ATOM 768 CB ALA A 48 -3.558 -9.752 7.219 1.00 0.00 C ATOM 0 H ALA A 48 -2.678 -8.931 5.066 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.202 -8.196 7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.705 -10.100 8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.350 -9.050 6.958 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.588 -10.603 6.538 1.00 0.00 H new ATOM 774 N GLN A 49 -0.350 -10.514 6.579 1.00 0.00 N ATOM 775 CA GLN A 49 0.691 -11.488 6.861 1.00 0.00 C ATOM 776 C GLN A 49 2.072 -10.953 6.483 1.00 0.00 C ATOM 777 O GLN A 49 3.086 -11.446 6.975 1.00 0.00 O ATOM 778 CB GLN A 49 0.439 -12.789 6.081 1.00 0.00 C ATOM 779 CG GLN A 49 -1.011 -13.266 6.082 1.00 0.00 C ATOM 780 CD GLN A 49 -1.900 -12.533 5.080 1.00 0.00 C ATOM 781 OE1 GLN A 49 -3.092 -12.352 5.312 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.341 -12.137 3.943 1.00 0.00 N ATOM 0 H GLN A 49 -0.453 -10.278 5.592 1.00 0.00 H new ATOM 0 HA GLN A 49 0.665 -11.685 7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.758 -12.645 5.049 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.066 -13.575 6.502 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.033 -14.333 5.861 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.425 -13.139 7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.348 -12.301 3.779 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.905 -11.668 3.234 1.00 0.00 H new ATOM 791 N ARG A 50 2.107 -9.930 5.635 1.00 0.00 N ATOM 792 CA ARG A 50 3.343 -9.550 4.952 1.00 0.00 C ATOM 793 C ARG A 50 3.241 -8.143 4.383 1.00 0.00 C ATOM 794 O ARG A 50 2.206 -7.507 4.493 1.00 0.00 O ATOM 795 CB ARG A 50 3.600 -10.537 3.810 1.00 0.00 C ATOM 796 CG ARG A 50 2.394 -10.689 2.893 1.00 0.00 C ATOM 797 CD ARG A 50 2.618 -11.726 1.812 1.00 0.00 C ATOM 798 NE ARG A 50 2.930 -13.044 2.366 1.00 0.00 N ATOM 799 CZ ARG A 50 2.967 -14.167 1.648 1.00 0.00 C ATOM 800 NH1 ARG A 50 2.705 -14.147 0.347 1.00 0.00 N ATOM 801 NH2 ARG A 50 3.263 -15.320 2.236 1.00 0.00 N ATOM 0 H ARG A 50 1.300 -9.351 5.404 1.00 0.00 H new ATOM 0 HA ARG A 50 4.162 -9.573 5.671 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.456 -10.199 3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.862 -11.510 4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.523 -10.968 3.486 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.170 -9.728 2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.726 -11.797 1.189 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.434 -11.403 1.165 1.00 0.00 H new ATOM 0 HE ARG A 50 3.132 -13.108 3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.473 -13.267 -0.113 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.736 -15.012 -0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.462 -15.346 3.236 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.292 -16.180 1.688 1.00 0.00 H new ATOM 815 N SER A 51 4.315 -7.666 3.772 1.00 0.00 N ATOM 816 CA SER A 51 4.294 -6.386 3.078 1.00 0.00 C ATOM 817 C SER A 51 4.925 -6.520 1.694 1.00 0.00 C ATOM 818 O SER A 51 5.926 -7.216 1.518 1.00 0.00 O ATOM 819 CB SER A 51 5.018 -5.309 3.894 1.00 0.00 C ATOM 820 OG SER A 51 4.287 -4.957 5.060 1.00 0.00 O ATOM 0 H SER A 51 5.214 -8.147 3.742 1.00 0.00 H new ATOM 0 HA SER A 51 3.254 -6.081 2.960 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.006 -5.670 4.179 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.168 -4.423 3.277 1.00 0.00 H new ATOM 0 HG SER A 51 4.777 -4.270 5.558 1.00 0.00 H new ATOM 826 N ILE A 52 4.317 -5.869 0.712 1.00 0.00 N ATOM 827 CA ILE A 52 4.818 -5.888 -0.656 1.00 0.00 C ATOM 828 C ILE A 52 5.231 -4.479 -1.063 1.00 0.00 C ATOM 829 O ILE A 52 4.577 -3.507 -0.692 1.00 0.00 O ATOM 830 CB ILE A 52 3.757 -6.434 -1.644 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.339 -7.849 -1.232 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.293 -6.432 -3.074 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.265 -8.450 -2.113 1.00 0.00 C ATOM 0 H ILE A 52 3.469 -5.317 0.839 1.00 0.00 H new ATOM 0 HA ILE A 52 5.680 -6.554 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 52 2.884 -5.782 -1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.216 -8.497 -1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.981 -7.827 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.530 -6.820 -3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.551 -5.414 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.181 -7.061 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.022 -9.452 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.372 -7.826 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.626 -8.506 -3.140 1.00 0.00 H new ATOM 845 N CYS A 53 6.303 -4.364 -1.830 1.00 0.00 N ATOM 846 CA CYS A 53 6.845 -3.060 -2.170 1.00 0.00 C ATOM 847 C CYS A 53 6.452 -2.661 -3.584 1.00 0.00 C ATOM 848 O CYS A 53 6.779 -3.348 -4.550 1.00 0.00 O ATOM 849 CB CYS A 53 8.365 -3.089 -2.045 1.00 0.00 C ATOM 850 SG CYS A 53 9.178 -1.537 -2.521 1.00 0.00 S ATOM 0 H CYS A 53 6.812 -5.154 -2.227 1.00 0.00 H new ATOM 0 HA CYS A 53 6.434 -2.324 -1.479 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.630 -3.324 -1.014 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.755 -3.896 -2.666 1.00 0.00 H new ATOM 855 N ILE A 54 5.762 -1.541 -3.701 1.00 0.00 N ATOM 856 CA ILE A 54 5.275 -1.077 -4.983 1.00 0.00 C ATOM 857 C ILE A 54 5.919 0.253 -5.365 1.00 0.00 C ATOM 858 O ILE A 54 6.213 1.090 -4.509 1.00 0.00 O ATOM 859 CB ILE A 54 3.727 -0.961 -4.962 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.104 -2.081 -5.801 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.251 0.408 -5.433 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.591 -2.085 -5.784 1.00 0.00 C ATOM 0 H ILE A 54 5.526 -0.934 -2.916 1.00 0.00 H new ATOM 0 HA ILE A 54 5.554 -1.808 -5.741 1.00 0.00 H new ATOM 0 HB ILE A 54 3.397 -1.071 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.447 -1.984 -6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.465 -3.042 -5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.162 0.445 -5.402 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.659 1.180 -4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.591 0.580 -6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.222 -2.905 -6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.239 -2.213 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.220 -1.139 -6.180 1.00 0.00 H new ATOM 874 N HIS A 55 6.162 0.423 -6.657 1.00 0.00 N ATOM 875 CA HIS A 55 6.688 1.670 -7.184 1.00 0.00 C ATOM 876 C HIS A 55 5.562 2.701 -7.265 1.00 0.00 C ATOM 877 O HIS A 55 4.466 2.387 -7.725 1.00 0.00 O ATOM 878 CB HIS A 55 7.307 1.433 -8.573 1.00 0.00 C ATOM 879 CG HIS A 55 7.740 2.684 -9.284 1.00 0.00 C ATOM 880 ND1 HIS A 55 6.980 3.290 -10.258 1.00 0.00 N ATOM 881 CD2 HIS A 55 8.848 3.451 -9.146 1.00 0.00 C ATOM 882 CE1 HIS A 55 7.594 4.376 -10.685 1.00 0.00 C ATOM 883 NE2 HIS A 55 8.731 4.497 -10.027 1.00 0.00 N ATOM 0 H HIS A 55 6.001 -0.295 -7.363 1.00 0.00 H new ATOM 0 HA HIS A 55 7.467 2.048 -6.521 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.169 0.775 -8.465 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.582 0.909 -9.195 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.670 3.273 -8.469 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.228 5.051 -11.444 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.412 5.246 -10.152 1.00 0.00 H new ATOM 892 N PRO A 56 5.803 3.932 -6.794 1.00 0.00 N ATOM 893 CA PRO A 56 4.818 5.015 -6.881 1.00 0.00 C ATOM 894 C PRO A 56 4.325 5.229 -8.311 1.00 0.00 C ATOM 895 O PRO A 56 5.041 4.940 -9.263 1.00 0.00 O ATOM 896 CB PRO A 56 5.591 6.242 -6.397 1.00 0.00 C ATOM 897 CG PRO A 56 6.670 5.691 -5.531 1.00 0.00 C ATOM 898 CD PRO A 56 7.043 4.363 -6.124 1.00 0.00 C ATOM 0 HA PRO A 56 3.924 4.801 -6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.004 6.806 -7.234 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.946 6.923 -5.841 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.529 6.361 -5.505 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.324 5.576 -4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.870 4.455 -6.828 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.354 3.653 -5.358 1.00 0.00 H new ATOM 906 N GLN A 57 3.095 5.720 -8.440 1.00 0.00 N ATOM 907 CA GLN A 57 2.457 5.949 -9.744 1.00 0.00 C ATOM 908 C GLN A 57 1.957 4.653 -10.378 1.00 0.00 C ATOM 909 O GLN A 57 1.355 4.674 -11.454 1.00 0.00 O ATOM 910 CB GLN A 57 3.376 6.706 -10.711 1.00 0.00 C ATOM 911 CG GLN A 57 3.390 8.205 -10.471 1.00 0.00 C ATOM 912 CD GLN A 57 2.018 8.825 -10.650 1.00 0.00 C ATOM 913 OE1 GLN A 57 1.260 8.906 -9.567 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 1.643 9.230 -11.752 1.00 0.00 N flip ATOM 0 H GLN A 57 2.508 5.972 -7.645 1.00 0.00 H new ATOM 0 HA GLN A 57 1.588 6.578 -9.549 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.391 6.320 -10.616 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.056 6.511 -11.734 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.749 8.407 -9.462 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.092 8.675 -11.159 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.258 9.149 -12.562 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.718 9.646 -11.854 1.00 0.00 H new ATOM 923 N ASN A 58 2.187 3.529 -9.714 1.00 0.00 N ATOM 924 CA ASN A 58 1.608 2.266 -10.150 1.00 0.00 C ATOM 925 C ASN A 58 0.127 2.238 -9.799 1.00 0.00 C ATOM 926 O ASN A 58 -0.243 2.406 -8.637 1.00 0.00 O ATOM 927 CB ASN A 58 2.327 1.074 -9.509 1.00 0.00 C ATOM 928 CG ASN A 58 3.460 0.540 -10.365 1.00 0.00 C ATOM 929 OD1 ASN A 58 4.580 1.047 -10.329 1.00 0.00 O ATOM 930 ND2 ASN A 58 3.185 -0.511 -11.126 1.00 0.00 N ATOM 0 H ASN A 58 2.766 3.465 -8.877 1.00 0.00 H new ATOM 0 HA ASN A 58 1.729 2.185 -11.230 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.722 1.373 -8.538 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.607 0.276 -9.328 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.914 -0.925 -11.707 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.244 -0.905 -11.131 1.00 0.00 H new ATOM 937 N PRO A 59 -0.737 2.020 -10.804 1.00 0.00 N ATOM 938 CA PRO A 59 -2.197 2.059 -10.640 1.00 0.00 C ATOM 939 C PRO A 59 -2.687 1.124 -9.540 1.00 0.00 C ATOM 940 O PRO A 59 -3.723 1.366 -8.924 1.00 0.00 O ATOM 941 CB PRO A 59 -2.738 1.606 -12.005 1.00 0.00 C ATOM 942 CG PRO A 59 -1.573 0.991 -12.705 1.00 0.00 C ATOM 943 CD PRO A 59 -0.361 1.710 -12.190 1.00 0.00 C ATOM 0 HA PRO A 59 -2.537 3.052 -10.344 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.550 0.889 -11.888 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.136 2.449 -12.570 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.512 -0.077 -12.498 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.663 1.101 -13.786 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.531 1.086 -12.238 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.150 2.612 -12.764 1.00 0.00 H new ATOM 951 N SER A 60 -1.915 0.073 -9.284 1.00 0.00 N ATOM 952 CA SER A 60 -2.259 -0.913 -8.273 1.00 0.00 C ATOM 953 C SER A 60 -2.362 -0.272 -6.891 1.00 0.00 C ATOM 954 O SER A 60 -3.138 -0.723 -6.056 1.00 0.00 O ATOM 955 CB SER A 60 -1.214 -2.032 -8.265 1.00 0.00 C ATOM 956 OG SER A 60 -1.607 -3.106 -7.429 1.00 0.00 O ATOM 0 H SER A 60 -1.038 -0.116 -9.770 1.00 0.00 H new ATOM 0 HA SER A 60 -3.234 -1.334 -8.519 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.063 -2.397 -9.281 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.258 -1.635 -7.924 1.00 0.00 H new ATOM 0 HG SER A 60 -0.940 -3.232 -6.722 1.00 0.00 H new ATOM 962 N LEU A 61 -1.589 0.782 -6.659 1.00 0.00 N ATOM 963 CA LEU A 61 -1.596 1.462 -5.370 1.00 0.00 C ATOM 964 C LEU A 61 -2.791 2.413 -5.274 1.00 0.00 C ATOM 965 O LEU A 61 -3.588 2.329 -4.341 1.00 0.00 O ATOM 966 CB LEU A 61 -0.283 2.232 -5.174 1.00 0.00 C ATOM 967 CG LEU A 61 0.200 2.380 -3.726 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.798 3.162 -2.887 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.470 1.017 -3.111 1.00 0.00 C ATOM 0 H LEU A 61 -0.950 1.184 -7.345 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.686 0.715 -4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.498 1.732 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.402 3.228 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 61 1.133 2.943 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.426 3.249 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.929 4.157 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.755 2.641 -2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.812 1.143 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.446 0.426 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.238 0.503 -3.689 1.00 0.00 H new ATOM 981 N SER A 62 -2.909 3.312 -6.247 1.00 0.00 N ATOM 982 CA SER A 62 -3.968 4.318 -6.252 1.00 0.00 C ATOM 983 C SER A 62 -5.350 3.660 -6.276 1.00 0.00 C ATOM 984 O SER A 62 -6.256 4.028 -5.511 1.00 0.00 O ATOM 985 CB SER A 62 -3.794 5.225 -7.468 1.00 0.00 C ATOM 986 OG SER A 62 -2.435 5.618 -7.605 1.00 0.00 O ATOM 0 H SER A 62 -2.280 3.365 -7.048 1.00 0.00 H new ATOM 0 HA SER A 62 -3.896 4.910 -5.340 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.120 4.704 -8.368 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.425 6.107 -7.364 1.00 0.00 H new ATOM 0 HG SER A 62 -2.340 6.197 -8.390 1.00 0.00 H new ATOM 992 N GLN A 63 -5.508 2.669 -7.143 1.00 0.00 N ATOM 993 CA GLN A 63 -6.756 1.939 -7.215 1.00 0.00 C ATOM 994 C GLN A 63 -6.998 1.186 -5.922 1.00 0.00 C ATOM 995 O GLN A 63 -8.140 1.016 -5.506 1.00 0.00 O ATOM 996 CB GLN A 63 -6.769 0.977 -8.400 1.00 0.00 C ATOM 997 CG GLN A 63 -6.855 1.683 -9.742 1.00 0.00 C ATOM 998 CD GLN A 63 -6.993 0.727 -10.909 1.00 0.00 C ATOM 999 OE1 GLN A 63 -6.377 -0.440 -10.808 1.00 0.00 O flip ATOM 1000 NE2 GLN A 63 -7.638 1.043 -11.905 1.00 0.00 N flip ATOM 0 H GLN A 63 -4.792 2.358 -7.799 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.560 2.660 -7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.866 0.367 -8.375 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.615 0.298 -8.299 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.707 2.363 -9.734 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.962 2.292 -9.883 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.099 1.952 -11.947 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.712 0.397 -12.691 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.924 0.752 -5.271 1.00 0.00 N ATOM 1010 CA TRP A 64 -6.051 0.061 -4.000 1.00 0.00 C ATOM 1011 C TRP A 64 -6.602 0.996 -2.940 1.00 0.00 C ATOM 1012 O TRP A 64 -7.357 0.567 -2.078 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.722 -0.543 -3.538 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.826 -1.212 -2.203 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -4.013 -1.031 -1.125 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.828 -2.149 -1.799 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.447 -1.801 -0.074 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.561 -2.493 -0.463 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.928 -2.726 -2.438 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.356 -3.388 0.241 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.714 -3.612 -1.740 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.428 -3.935 -0.412 1.00 0.00 C ATOM 0 H TRP A 64 -4.966 0.867 -5.601 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.750 -0.762 -4.148 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.380 -1.267 -4.277 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.968 0.243 -3.489 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.153 -0.378 -1.101 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.010 -1.849 0.846 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.157 -2.480 -3.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.136 -3.643 1.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.565 -4.065 -2.226 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.066 -4.631 0.111 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.256 2.271 -3.033 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.798 3.276 -2.130 1.00 0.00 C ATOM 1035 C PHE A 65 -8.324 3.203 -2.111 1.00 0.00 C ATOM 1036 O PHE A 65 -8.943 3.067 -1.053 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.364 4.675 -2.570 1.00 0.00 C ATOM 1038 CG PHE A 65 -5.186 5.247 -1.835 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -4.014 4.529 -1.694 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -5.255 6.524 -1.293 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -2.930 5.070 -1.027 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -4.176 7.069 -0.630 1.00 0.00 C ATOM 1043 CZ PHE A 65 -3.011 6.343 -0.496 1.00 0.00 C ATOM 0 H PHE A 65 -5.601 2.635 -3.725 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.415 3.079 -1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.127 4.645 -3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.209 5.353 -2.450 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.944 3.534 -2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.165 7.097 -1.392 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.020 4.498 -0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.243 8.064 -0.216 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.164 6.768 0.023 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.938 3.257 -3.286 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.396 3.214 -3.356 1.00 0.00 C ATOM 1055 C GLU A 66 -10.918 1.775 -3.200 1.00 0.00 C ATOM 1056 O GLU A 66 -12.000 1.545 -2.642 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.892 3.850 -4.658 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.472 5.310 -4.810 1.00 0.00 C ATOM 1059 CD GLU A 66 -11.063 5.978 -6.036 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -12.206 6.479 -5.957 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -10.384 6.027 -7.080 1.00 0.00 O ATOM 0 H GLU A 66 -8.464 3.329 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.794 3.796 -2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.509 3.278 -5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.979 3.785 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.776 5.863 -3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.385 5.365 -4.863 1.00 0.00 H new ATOM 1068 N HIS A 67 -10.137 0.802 -3.669 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.512 -0.610 -3.544 1.00 0.00 C ATOM 1070 C HIS A 67 -10.595 -1.027 -2.078 1.00 0.00 C ATOM 1071 O HIS A 67 -11.541 -1.701 -1.681 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.527 -1.528 -4.282 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.754 -1.648 -5.763 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.505 -2.808 -6.474 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.172 -0.739 -6.676 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -9.758 -2.599 -7.754 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.166 -1.355 -7.901 1.00 0.00 N ATOM 0 H HIS A 67 -9.245 0.962 -4.137 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.494 -0.717 -4.004 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.515 -1.159 -4.114 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.581 -2.523 -3.840 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.177 -3.687 -6.073 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.458 0.283 -6.476 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.649 -3.325 -8.546 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.607 -0.622 -1.278 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.577 -0.969 0.142 1.00 0.00 C ATOM 1088 C GLN A 68 -10.720 -0.295 0.876 1.00 0.00 C ATOM 1089 O GLN A 68 -11.254 -0.842 1.842 1.00 0.00 O ATOM 1090 CB GLN A 68 -8.245 -0.574 0.793 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.966 0.923 0.787 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.773 1.314 1.640 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.822 0.408 1.794 1.00 0.00 O flip ATOM 1094 NE2 GLN A 68 -6.707 2.425 2.163 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.819 -0.054 -1.590 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.685 -2.051 0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.238 -0.929 1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.434 -1.085 0.274 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.793 1.249 -0.239 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.849 1.452 1.145 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.459 3.100 2.023 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.900 2.672 2.737 1.00 0.00 H new ATOM 1103 N GLU A 69 -11.096 0.888 0.396 1.00 0.00 N ATOM 1104 CA GLU A 69 -12.205 1.636 0.976 1.00 0.00 C ATOM 1105 C GLU A 69 -13.466 0.776 1.014 1.00 0.00 C ATOM 1106 O GLU A 69 -14.276 0.870 1.939 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.474 2.898 0.160 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.551 3.785 0.756 1.00 0.00 C ATOM 1109 CD GLU A 69 -14.217 4.667 -0.274 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -13.549 5.564 -0.819 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -15.422 4.456 -0.542 1.00 0.00 O ATOM 0 H GLU A 69 -10.647 1.349 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.934 1.916 1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.550 3.470 0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.767 2.612 -0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.305 3.161 1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.112 4.410 1.534 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.641 -0.048 -0.010 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.799 -0.932 -0.082 1.00 0.00 C ATOM 1120 C ARG A 70 -14.398 -2.409 -0.004 1.00 0.00 C ATOM 1121 O ARG A 70 -15.017 -3.263 -0.645 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.590 -0.654 -1.360 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.752 -0.685 -2.625 1.00 0.00 C ATOM 1124 CD ARG A 70 -15.613 -0.458 -3.852 1.00 0.00 C ATOM 1125 NE ARG A 70 -14.821 -0.384 -5.075 1.00 0.00 N ATOM 1126 CZ ARG A 70 -15.310 -0.611 -6.295 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -16.576 -0.977 -6.454 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -14.530 -0.468 -7.356 1.00 0.00 N ATOM 0 H ARG A 70 -13.000 -0.124 -0.800 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.431 -0.726 0.782 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.389 -1.390 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -16.065 0.323 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.979 0.081 -2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.244 -1.646 -2.706 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -16.338 -1.267 -3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -16.179 0.466 -3.731 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.833 -0.144 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -17.181 -1.086 -5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -16.943 -1.149 -7.390 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.557 -0.185 -7.239 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.902 -0.641 -8.290 1.00 0.00 H new ATOM 1142 N LYS A 71 -13.385 -2.723 0.795 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.908 -4.098 0.899 1.00 0.00 C ATOM 1144 C LYS A 71 -12.468 -4.405 2.337 1.00 0.00 C ATOM 1145 O LYS A 71 -12.901 -3.725 3.272 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.753 -4.304 -0.082 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.714 -5.685 -0.717 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.633 -5.764 -1.780 1.00 0.00 C ATOM 1149 CE LYS A 71 -10.961 -4.900 -2.990 1.00 0.00 C ATOM 1150 NZ LYS A 71 -11.954 -5.549 -3.881 1.00 0.00 N ATOM 0 H LYS A 71 -12.882 -2.052 1.375 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.716 -4.785 0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.823 -3.555 -0.871 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.812 -4.130 0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.530 -6.437 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.683 -5.913 -1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.681 -5.446 -1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.510 -6.800 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.348 -3.938 -2.655 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.048 -4.698 -3.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.163 -4.921 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.568 -6.447 -4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.829 -5.734 -3.350 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.607 -5.423 2.503 1.00 0.00 N ATOM 1165 CA LEU A 72 -11.118 -5.850 3.815 1.00 0.00 C ATOM 1166 C LEU A 72 -12.255 -6.327 4.718 1.00 0.00 C ATOM 1167 O LEU A 72 -12.587 -7.514 4.746 1.00 0.00 O ATOM 1168 CB LEU A 72 -10.333 -4.725 4.505 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.942 -4.426 3.932 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -9.015 -4.019 2.471 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -8.281 -3.326 4.733 1.00 0.00 C ATOM 0 H LEU A 72 -11.233 -5.970 1.728 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.448 -6.692 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.927 -3.813 4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.223 -4.980 5.559 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.351 -5.339 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.011 -3.815 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.460 -4.827 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.627 -3.122 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.294 -3.119 4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.891 -2.424 4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.182 -3.642 5.772 1.00 0.00 H new