USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=13 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 46 HIS : no HE2:sc= 1.03 K(o=2.3,f=-2.9!) USER MOD Set 1.2: A 51 SER OG : rot -113:sc= 1.25 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 12 GLN : amide:sc= -0.773 X(o=-0.77,f=-0.48) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= -0.0554 (180deg=-0.511) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.14 K(o=-0.14,f=-0.9) USER MOD Single : A 32 GLN : amide:sc= -1.91! C(o=-1.9!,f=-11!) USER MOD Single : A 39 HIS : no HD1:sc= -0.0911 X(o=-0.091,f=-0.34) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 49 GLN : amide:sc= -2.99! C(o=-3!,f=-2.8!) USER MOD Single : A 55 HIS : no HE2:sc= -1.93! C(o=-1.9!,f=-4.2!) USER MOD Single : A 57 GLN :FLIP amide:sc= -1.26 F(o=-2.6!,f=-1.3) USER MOD Single : A 58 ASN : amide:sc= -2.68 K(o=-2.7,f=-5.2!) USER MOD Single : A 60 SER OG : rot -120:sc= 0.314 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc=-0.00658 X(o=-0.0066,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 0.334 K(o=0.33,f=-5.7!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.061 F(o=-4.3!,f=-0.061) USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= -0.551 (180deg=-1.36!) USER MOD ----------------------------------------------------------------- ATOM 124 N CYS A 9 12.433 0.429 3.491 1.00 0.00 N ATOM 125 CA CYS A 9 13.508 0.987 2.697 1.00 0.00 C ATOM 126 C CYS A 9 13.758 0.067 1.512 1.00 0.00 C ATOM 127 O CYS A 9 14.813 -0.558 1.384 1.00 0.00 O ATOM 128 CB CYS A 9 14.776 1.180 3.536 1.00 0.00 C ATOM 129 SG CYS A 9 16.087 2.155 2.717 1.00 0.00 S ATOM 0 HA CYS A 9 13.223 1.975 2.335 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.506 1.671 4.471 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.178 0.200 3.795 1.00 0.00 H new ATOM 134 N CYS A 10 12.742 -0.042 0.673 1.00 0.00 N ATOM 135 CA CYS A 10 12.777 -0.926 -0.472 1.00 0.00 C ATOM 136 C CYS A 10 13.709 -0.392 -1.544 1.00 0.00 C ATOM 137 O CYS A 10 13.502 0.696 -2.077 1.00 0.00 O ATOM 138 CB CYS A 10 11.369 -1.090 -1.051 1.00 0.00 C ATOM 139 SG CYS A 10 10.152 -1.759 0.128 1.00 0.00 S ATOM 0 H CYS A 10 11.872 0.481 0.769 1.00 0.00 H new ATOM 0 HA CYS A 10 13.150 -1.895 -0.140 1.00 0.00 H new ATOM 0 HB2 CYS A 10 11.019 -0.121 -1.407 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.419 -1.749 -1.918 1.00 0.00 H new ATOM 144 N THR A 11 14.747 -1.153 -1.839 1.00 0.00 N ATOM 145 CA THR A 11 15.606 -0.856 -2.968 1.00 0.00 C ATOM 146 C THR A 11 15.116 -1.606 -4.199 1.00 0.00 C ATOM 147 O THR A 11 15.584 -1.388 -5.318 1.00 0.00 O ATOM 148 CB THR A 11 17.059 -1.243 -2.662 1.00 0.00 C ATOM 149 OG1 THR A 11 17.088 -2.555 -2.082 1.00 0.00 O ATOM 150 CG2 THR A 11 17.701 -0.241 -1.710 1.00 0.00 C ATOM 0 H THR A 11 15.015 -1.983 -1.310 1.00 0.00 H new ATOM 0 HA THR A 11 15.569 0.216 -3.160 1.00 0.00 H new ATOM 0 HB THR A 11 17.626 -1.238 -3.593 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.015 -2.806 -1.887 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.730 -0.538 -1.509 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.691 0.750 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.141 -0.217 -0.775 1.00 0.00 H new ATOM 158 N GLN A 12 14.156 -2.487 -3.970 1.00 0.00 N ATOM 159 CA GLN A 12 13.552 -3.267 -5.031 1.00 0.00 C ATOM 160 C GLN A 12 12.054 -2.999 -5.104 1.00 0.00 C ATOM 161 O GLN A 12 11.451 -2.552 -4.130 1.00 0.00 O ATOM 162 CB GLN A 12 13.837 -4.767 -4.843 1.00 0.00 C ATOM 163 CG GLN A 12 13.779 -5.290 -3.403 1.00 0.00 C ATOM 164 CD GLN A 12 12.430 -5.105 -2.727 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.519 -5.915 -2.899 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.320 -4.077 -1.897 1.00 0.00 N ATOM 0 H GLN A 12 13.776 -2.679 -3.043 1.00 0.00 H new ATOM 0 HA GLN A 12 13.999 -2.961 -5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.121 -5.330 -5.441 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.827 -4.981 -5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.030 -6.351 -3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.541 -4.782 -2.813 1.00 0.00 H new ATOM 0 HE21 GLN A 12 13.099 -3.428 -1.783 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.457 -3.935 -1.373 1.00 0.00 H new ATOM 175 N LEU A 13 11.465 -3.249 -6.263 1.00 0.00 N ATOM 176 CA LEU A 13 10.035 -3.057 -6.454 1.00 0.00 C ATOM 177 C LEU A 13 9.444 -4.249 -7.193 1.00 0.00 C ATOM 178 O LEU A 13 10.064 -4.784 -8.115 1.00 0.00 O ATOM 179 CB LEU A 13 9.766 -1.761 -7.231 1.00 0.00 C ATOM 180 CG LEU A 13 10.236 -0.473 -6.541 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.045 0.724 -7.453 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.483 -0.255 -5.237 1.00 0.00 C ATOM 0 H LEU A 13 11.958 -3.587 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 13 9.559 -2.977 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.254 -1.832 -8.203 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.695 -1.684 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 13 11.298 -0.580 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.384 1.627 -6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.624 0.582 -8.366 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.989 0.825 -7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.832 0.663 -4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.416 -0.175 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.661 -1.097 -4.569 1.00 0.00 H new ATOM 194 N TYR A 14 8.257 -4.668 -6.773 1.00 0.00 N ATOM 195 CA TYR A 14 7.593 -5.827 -7.360 1.00 0.00 C ATOM 196 C TYR A 14 7.106 -5.508 -8.772 1.00 0.00 C ATOM 197 O TYR A 14 7.300 -6.295 -9.693 1.00 0.00 O ATOM 198 CB TYR A 14 6.427 -6.266 -6.469 1.00 0.00 C ATOM 199 CG TYR A 14 5.827 -7.605 -6.841 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.618 -8.744 -6.931 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.470 -7.728 -7.096 1.00 0.00 C ATOM 202 CE1 TYR A 14 6.069 -9.969 -7.264 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.913 -8.948 -7.426 1.00 0.00 C ATOM 204 CZ TYR A 14 4.715 -10.065 -7.510 1.00 0.00 C ATOM 205 OH TYR A 14 4.160 -11.281 -7.838 1.00 0.00 O ATOM 0 H TYR A 14 7.731 -4.220 -6.023 1.00 0.00 H new ATOM 0 HA TYR A 14 8.308 -6.647 -7.428 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.771 -6.310 -5.436 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.646 -5.507 -6.513 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.678 -8.672 -6.738 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.837 -6.855 -7.036 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.697 -10.845 -7.331 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.853 -9.026 -7.617 1.00 0.00 H new ATOM 0 HH TYR A 14 3.196 -11.174 -7.978 1.00 0.00 H new ATOM 215 N ARG A 15 6.455 -4.351 -8.915 1.00 0.00 N ATOM 216 CA ARG A 15 6.079 -3.802 -10.227 1.00 0.00 C ATOM 217 C ARG A 15 4.948 -4.579 -10.912 1.00 0.00 C ATOM 218 O ARG A 15 4.660 -4.346 -12.087 1.00 0.00 O ATOM 219 CB ARG A 15 7.297 -3.735 -11.153 1.00 0.00 C ATOM 220 CG ARG A 15 8.327 -2.700 -10.738 1.00 0.00 C ATOM 221 CD ARG A 15 9.566 -2.781 -11.610 1.00 0.00 C ATOM 222 NE ARG A 15 9.242 -2.667 -13.031 1.00 0.00 N ATOM 223 CZ ARG A 15 9.902 -3.302 -13.998 1.00 0.00 C ATOM 224 NH1 ARG A 15 10.913 -4.115 -13.703 1.00 0.00 N ATOM 225 NH2 ARG A 15 9.539 -3.139 -15.261 1.00 0.00 N ATOM 0 H ARG A 15 6.173 -3.767 -8.128 1.00 0.00 H new ATOM 0 HA ARG A 15 5.702 -2.797 -10.035 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.773 -4.715 -11.183 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.960 -3.513 -12.165 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.893 -1.702 -10.809 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.602 -2.855 -9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.259 -1.987 -11.331 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.076 -3.727 -11.429 1.00 0.00 H new ATOM 0 HE ARG A 15 8.463 -2.065 -13.298 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.187 -4.256 -12.731 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.414 -4.598 -14.449 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.755 -2.528 -15.492 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.043 -3.624 -16.003 1.00 0.00 H new ATOM 239 N LYS A 16 4.305 -5.489 -10.193 1.00 0.00 N ATOM 240 CA LYS A 16 3.150 -6.197 -10.739 1.00 0.00 C ATOM 241 C LYS A 16 1.856 -5.620 -10.184 1.00 0.00 C ATOM 242 O LYS A 16 1.824 -5.127 -9.055 1.00 0.00 O ATOM 243 CB LYS A 16 3.195 -7.698 -10.423 1.00 0.00 C ATOM 244 CG LYS A 16 4.049 -8.532 -11.366 1.00 0.00 C ATOM 245 CD LYS A 16 5.531 -8.301 -11.153 1.00 0.00 C ATOM 246 CE LYS A 16 6.364 -9.316 -11.916 1.00 0.00 C ATOM 247 NZ LYS A 16 6.126 -10.705 -11.435 1.00 0.00 N ATOM 0 H LYS A 16 4.558 -5.754 -9.241 1.00 0.00 H new ATOM 0 HA LYS A 16 3.185 -6.066 -11.821 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.570 -7.828 -9.408 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.177 -8.087 -10.440 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.823 -9.588 -11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.790 -8.291 -12.397 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.794 -7.294 -11.477 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.762 -8.364 -10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.128 -9.254 -12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.421 -9.071 -11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.938 -11.304 -11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.009 -10.699 -10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.265 -11.083 -11.879 1.00 0.00 H new ATOM 261 N PRO A 17 0.777 -5.650 -10.982 1.00 0.00 N ATOM 262 CA PRO A 17 -0.561 -5.329 -10.495 1.00 0.00 C ATOM 263 C PRO A 17 -1.069 -6.419 -9.553 1.00 0.00 C ATOM 264 O PRO A 17 -1.335 -7.552 -9.978 1.00 0.00 O ATOM 265 CB PRO A 17 -1.407 -5.266 -11.770 1.00 0.00 C ATOM 266 CG PRO A 17 -0.677 -6.109 -12.757 1.00 0.00 C ATOM 267 CD PRO A 17 0.783 -5.982 -12.420 1.00 0.00 C ATOM 0 HA PRO A 17 -0.594 -4.401 -9.924 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.414 -5.645 -11.595 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.510 -4.241 -12.126 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.001 -7.148 -12.697 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.872 -5.773 -13.775 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.322 -6.909 -12.616 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.265 -5.202 -13.010 1.00 0.00 H new ATOM 275 N LEU A 18 -1.184 -6.083 -8.277 1.00 0.00 N ATOM 276 CA LEU A 18 -1.528 -7.063 -7.258 1.00 0.00 C ATOM 277 C LEU A 18 -2.969 -7.535 -7.414 1.00 0.00 C ATOM 278 O LEU A 18 -3.851 -6.768 -7.805 1.00 0.00 O ATOM 279 CB LEU A 18 -1.301 -6.483 -5.858 1.00 0.00 C ATOM 280 CG LEU A 18 0.147 -6.090 -5.544 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.280 -5.620 -4.103 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.088 -7.254 -5.810 1.00 0.00 C ATOM 0 H LEU A 18 -1.044 -5.137 -7.922 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.876 -7.927 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.934 -5.603 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.631 -7.215 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 18 0.423 -5.265 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.316 -5.347 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.361 -4.753 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.019 -6.423 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.111 -6.955 -5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.808 -8.099 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.021 -7.544 -6.859 1.00 0.00 H new ATOM 294 N SER A 19 -3.190 -8.808 -7.127 1.00 0.00 N ATOM 295 CA SER A 19 -4.511 -9.396 -7.228 1.00 0.00 C ATOM 296 C SER A 19 -5.408 -8.880 -6.109 1.00 0.00 C ATOM 297 O SER A 19 -5.018 -8.876 -4.943 1.00 0.00 O ATOM 298 CB SER A 19 -4.397 -10.917 -7.168 1.00 0.00 C ATOM 299 OG SER A 19 -3.393 -11.377 -8.058 1.00 0.00 O ATOM 0 H SER A 19 -2.464 -9.456 -6.820 1.00 0.00 H new ATOM 0 HA SER A 19 -4.960 -9.111 -8.180 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.160 -11.230 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.355 -11.369 -7.426 1.00 0.00 H new ATOM 0 HG SER A 19 -3.332 -12.354 -8.006 1.00 0.00 H new ATOM 305 N ASP A 20 -6.611 -8.451 -6.470 1.00 0.00 N ATOM 306 CA ASP A 20 -7.554 -7.892 -5.505 1.00 0.00 C ATOM 307 C ASP A 20 -7.866 -8.903 -4.408 1.00 0.00 C ATOM 308 O ASP A 20 -8.188 -8.539 -3.272 1.00 0.00 O ATOM 309 CB ASP A 20 -8.845 -7.474 -6.195 1.00 0.00 C ATOM 310 CG ASP A 20 -9.757 -6.684 -5.282 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.370 -5.574 -4.864 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.869 -7.166 -4.978 1.00 0.00 O ATOM 0 H ASP A 20 -6.959 -8.479 -7.428 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.090 -7.014 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.607 -6.874 -7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.369 -8.362 -6.548 1.00 0.00 H new ATOM 317 N LYS A 21 -7.771 -10.178 -4.770 1.00 0.00 N ATOM 318 CA LYS A 21 -7.987 -11.270 -3.833 1.00 0.00 C ATOM 319 C LYS A 21 -7.007 -11.180 -2.667 1.00 0.00 C ATOM 320 O LYS A 21 -7.404 -11.263 -1.509 1.00 0.00 O ATOM 321 CB LYS A 21 -7.822 -12.608 -4.555 1.00 0.00 C ATOM 322 CG LYS A 21 -8.718 -12.754 -5.773 1.00 0.00 C ATOM 323 CD LYS A 21 -8.373 -14.002 -6.564 1.00 0.00 C ATOM 324 CE LYS A 21 -9.233 -14.118 -7.814 1.00 0.00 C ATOM 325 NZ LYS A 21 -8.911 -15.337 -8.603 1.00 0.00 N ATOM 0 H LYS A 21 -7.543 -10.481 -5.717 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.000 -11.196 -3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.782 -12.720 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.036 -13.417 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.760 -12.797 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.614 -11.876 -6.411 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.320 -13.978 -6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.516 -14.883 -5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.285 -14.138 -7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.088 -13.235 -8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.520 -15.376 -9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.914 -15.307 -8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.074 -16.182 -8.019 1.00 0.00 H new ATOM 339 N LEU A 22 -5.727 -10.991 -2.970 1.00 0.00 N ATOM 340 CA LEU A 22 -4.733 -10.807 -1.923 1.00 0.00 C ATOM 341 C LEU A 22 -4.841 -9.404 -1.328 1.00 0.00 C ATOM 342 O LEU A 22 -4.509 -9.190 -0.164 1.00 0.00 O ATOM 343 CB LEU A 22 -3.308 -11.101 -2.434 1.00 0.00 C ATOM 344 CG LEU A 22 -2.733 -10.141 -3.485 1.00 0.00 C ATOM 345 CD1 LEU A 22 -2.108 -8.919 -2.826 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.709 -10.856 -4.348 1.00 0.00 C ATOM 0 H LEU A 22 -5.358 -10.962 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.937 -11.527 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.635 -11.107 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.299 -12.107 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.553 -9.802 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.709 -8.256 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.866 -8.390 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.302 -9.235 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.310 -10.163 -5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.897 -11.223 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.184 -11.696 -4.856 1.00 0.00 H new ATOM 358 N LEU A 23 -5.320 -8.450 -2.134 1.00 0.00 N ATOM 359 CA LEU A 23 -5.448 -7.064 -1.689 1.00 0.00 C ATOM 360 C LEU A 23 -6.407 -6.941 -0.513 1.00 0.00 C ATOM 361 O LEU A 23 -6.171 -6.152 0.394 1.00 0.00 O ATOM 362 CB LEU A 23 -5.899 -6.142 -2.826 1.00 0.00 C ATOM 363 CG LEU A 23 -4.861 -5.899 -3.929 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.424 -4.990 -5.015 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.596 -5.292 -3.344 1.00 0.00 C ATOM 0 H LEU A 23 -5.624 -8.614 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.456 -6.749 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.794 -6.566 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.183 -5.180 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.615 -6.861 -4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.669 -4.833 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.304 -5.455 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.702 -4.031 -4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.870 -5.126 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.835 -4.341 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.174 -5.973 -2.605 1.00 0.00 H new ATOM 377 N ARG A 24 -7.477 -7.738 -0.499 1.00 0.00 N ATOM 378 CA ARG A 24 -8.443 -7.685 0.608 1.00 0.00 C ATOM 379 C ARG A 24 -7.804 -8.105 1.941 1.00 0.00 C ATOM 380 O ARG A 24 -8.460 -8.110 2.980 1.00 0.00 O ATOM 381 CB ARG A 24 -9.677 -8.553 0.318 1.00 0.00 C ATOM 382 CG ARG A 24 -9.424 -10.050 0.360 1.00 0.00 C ATOM 383 CD ARG A 24 -10.716 -10.831 0.161 1.00 0.00 C ATOM 384 NE ARG A 24 -11.730 -10.468 1.153 1.00 0.00 N ATOM 385 CZ ARG A 24 -13.044 -10.499 0.927 1.00 0.00 C ATOM 386 NH1 ARG A 24 -13.521 -10.934 -0.234 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.889 -10.111 1.872 1.00 0.00 N ATOM 0 H ARG A 24 -7.698 -8.418 -1.227 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.763 -6.647 0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.454 -8.309 1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.065 -8.291 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.708 -10.323 -0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.976 -10.319 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.104 -10.643 -0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.509 -11.899 0.227 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.411 -10.173 2.076 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.880 -11.248 -0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.528 -10.954 -0.397 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.534 -9.789 2.772 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.894 -10.135 1.699 1.00 0.00 H new ATOM 401 N LYS A 25 -6.525 -8.449 1.895 1.00 0.00 N ATOM 402 CA LYS A 25 -5.765 -8.815 3.083 1.00 0.00 C ATOM 403 C LYS A 25 -4.661 -7.792 3.361 1.00 0.00 C ATOM 404 O LYS A 25 -3.817 -7.997 4.236 1.00 0.00 O ATOM 405 CB LYS A 25 -5.159 -10.205 2.912 1.00 0.00 C ATOM 406 CG LYS A 25 -6.201 -11.307 2.848 1.00 0.00 C ATOM 407 CD LYS A 25 -5.570 -12.661 2.592 1.00 0.00 C ATOM 408 CE LYS A 25 -4.914 -12.714 1.227 1.00 0.00 C ATOM 409 NZ LYS A 25 -4.363 -14.065 0.931 1.00 0.00 N ATOM 0 H LYS A 25 -5.983 -8.482 1.031 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.446 -8.825 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.562 -10.225 2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.480 -10.403 3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.758 -11.336 3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.918 -11.084 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.828 -12.870 3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.331 -13.438 2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.642 -12.443 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.113 -11.976 1.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.922 -14.061 -0.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.650 -14.313 1.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.132 -14.765 0.951 1.00 0.00 H new ATOM 423 N VAL A 26 -4.665 -6.699 2.605 1.00 0.00 N ATOM 424 CA VAL A 26 -3.694 -5.629 2.791 1.00 0.00 C ATOM 425 C VAL A 26 -4.259 -4.583 3.744 1.00 0.00 C ATOM 426 O VAL A 26 -4.910 -3.627 3.328 1.00 0.00 O ATOM 427 CB VAL A 26 -3.313 -4.961 1.452 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.228 -3.920 1.654 1.00 0.00 C ATOM 429 CG2 VAL A 26 -2.862 -6.003 0.446 1.00 0.00 C ATOM 0 H VAL A 26 -5.334 -6.531 1.854 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.790 -6.069 3.213 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.199 -4.460 1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.978 -3.465 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.585 -3.151 2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.341 -4.396 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.598 -5.513 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.993 -6.533 0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.671 -6.712 0.269 1.00 0.00 H new ATOM 439 N ILE A 27 -4.009 -4.785 5.028 1.00 0.00 N ATOM 440 CA ILE A 27 -4.628 -3.987 6.079 1.00 0.00 C ATOM 441 C ILE A 27 -4.014 -2.594 6.201 1.00 0.00 C ATOM 442 O ILE A 27 -4.592 -1.708 6.828 1.00 0.00 O ATOM 443 CB ILE A 27 -4.518 -4.703 7.441 1.00 0.00 C ATOM 444 CG1 ILE A 27 -3.050 -5.022 7.754 1.00 0.00 C ATOM 445 CG2 ILE A 27 -5.360 -5.973 7.438 1.00 0.00 C ATOM 446 CD1 ILE A 27 -2.839 -5.707 9.089 1.00 0.00 C ATOM 0 H ILE A 27 -3.373 -5.504 5.372 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.675 -3.871 5.797 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.899 -4.043 8.220 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.651 -5.658 6.964 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.476 -4.095 7.738 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.274 -6.469 8.405 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.403 -5.717 7.253 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.006 -6.642 6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.776 -5.898 9.236 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.206 -5.065 9.890 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.383 -6.651 9.103 1.00 0.00 H new ATOM 458 N GLN A 28 -2.844 -2.398 5.614 1.00 0.00 N ATOM 459 CA GLN A 28 -2.138 -1.133 5.749 1.00 0.00 C ATOM 460 C GLN A 28 -1.431 -0.735 4.463 1.00 0.00 C ATOM 461 O GLN A 28 -1.045 -1.582 3.660 1.00 0.00 O ATOM 462 CB GLN A 28 -1.115 -1.211 6.886 1.00 0.00 C ATOM 463 CG GLN A 28 -1.723 -1.083 8.270 1.00 0.00 C ATOM 464 CD GLN A 28 -2.330 0.286 8.504 1.00 0.00 C ATOM 465 OE1 GLN A 28 -1.866 1.284 7.951 1.00 0.00 O ATOM 466 NE2 GLN A 28 -3.374 0.340 9.314 1.00 0.00 N ATOM 0 H GLN A 28 -2.365 -3.094 5.043 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.886 -0.373 5.975 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.584 -2.161 6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.375 -0.422 6.751 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.491 -1.846 8.400 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.956 -1.272 9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.725 -0.512 9.751 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.828 1.234 9.502 1.00 0.00 H new ATOM 475 N VAL A 29 -1.285 0.564 4.276 1.00 0.00 N ATOM 476 CA VAL A 29 -0.460 1.105 3.210 1.00 0.00 C ATOM 477 C VAL A 29 0.631 1.953 3.837 1.00 0.00 C ATOM 478 O VAL A 29 0.341 2.966 4.474 1.00 0.00 O ATOM 479 CB VAL A 29 -1.275 1.971 2.225 1.00 0.00 C ATOM 480 CG1 VAL A 29 -0.393 2.479 1.093 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.457 1.190 1.677 1.00 0.00 C ATOM 0 H VAL A 29 -1.733 1.273 4.857 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.041 0.274 2.643 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.658 2.835 2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.989 3.086 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.416 3.083 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.027 1.632 0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.018 1.818 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.097 0.305 1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.105 0.886 2.499 1.00 0.00 H new ATOM 491 N GLU A 30 1.873 1.539 3.686 1.00 0.00 N ATOM 492 CA GLU A 30 2.968 2.235 4.332 1.00 0.00 C ATOM 493 C GLU A 30 3.833 2.961 3.314 1.00 0.00 C ATOM 494 O GLU A 30 4.380 2.364 2.384 1.00 0.00 O ATOM 495 CB GLU A 30 3.783 1.270 5.200 1.00 0.00 C ATOM 496 CG GLU A 30 4.140 -0.044 4.529 1.00 0.00 C ATOM 497 CD GLU A 30 4.449 -1.140 5.546 1.00 0.00 C ATOM 498 OE1 GLU A 30 4.870 -0.811 6.680 1.00 0.00 O ATOM 499 OE2 GLU A 30 4.251 -2.332 5.230 1.00 0.00 O ATOM 0 H GLU A 30 2.148 0.731 3.127 1.00 0.00 H new ATOM 0 HA GLU A 30 2.553 2.996 4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.703 1.768 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.220 1.057 6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.314 -0.362 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.004 0.103 3.881 1.00 0.00 H new ATOM 506 N LEU A 31 3.921 4.269 3.490 1.00 0.00 N ATOM 507 CA LEU A 31 4.668 5.114 2.584 1.00 0.00 C ATOM 508 C LEU A 31 6.141 5.136 2.957 1.00 0.00 C ATOM 509 O LEU A 31 6.512 5.501 4.073 1.00 0.00 O ATOM 510 CB LEU A 31 4.096 6.535 2.585 1.00 0.00 C ATOM 511 CG LEU A 31 4.884 7.567 1.768 1.00 0.00 C ATOM 512 CD1 LEU A 31 5.024 7.123 0.318 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.207 8.926 1.837 1.00 0.00 C ATOM 0 H LEU A 31 3.478 4.769 4.261 1.00 0.00 H new ATOM 0 HA LEU A 31 4.576 4.702 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.076 6.497 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.037 6.883 3.616 1.00 0.00 H new ATOM 0 HG LEU A 31 5.882 7.648 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.586 7.872 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.551 6.170 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.035 7.009 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.778 9.647 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.197 8.850 1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.159 9.257 2.875 1.00 0.00 H new ATOM 525 N GLN A 32 6.963 4.714 2.019 1.00 0.00 N ATOM 526 CA GLN A 32 8.397 4.798 2.163 1.00 0.00 C ATOM 527 C GLN A 32 8.854 6.214 1.841 1.00 0.00 C ATOM 528 O GLN A 32 8.875 6.618 0.675 1.00 0.00 O ATOM 529 CB GLN A 32 9.061 3.793 1.232 1.00 0.00 C ATOM 530 CG GLN A 32 10.564 3.938 1.149 1.00 0.00 C ATOM 531 CD GLN A 32 11.191 2.842 0.329 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.707 1.714 0.299 1.00 0.00 O ATOM 533 NE2 GLN A 32 12.263 3.170 -0.356 1.00 0.00 N ATOM 0 H GLN A 32 6.654 4.304 1.137 1.00 0.00 H new ATOM 0 HA GLN A 32 8.683 4.563 3.188 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.821 2.785 1.570 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.639 3.903 0.233 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.811 4.905 0.711 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.986 3.926 2.154 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.632 4.119 -0.302 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.726 2.475 -0.942 1.00 0.00 H new ATOM 542 N GLU A 33 9.179 6.973 2.876 1.00 0.00 N ATOM 543 CA GLU A 33 9.618 8.348 2.701 1.00 0.00 C ATOM 544 C GLU A 33 10.998 8.390 2.058 1.00 0.00 C ATOM 545 O GLU A 33 11.872 7.586 2.392 1.00 0.00 O ATOM 546 CB GLU A 33 9.640 9.090 4.037 1.00 0.00 C ATOM 547 CG GLU A 33 8.271 9.242 4.677 1.00 0.00 C ATOM 548 CD GLU A 33 8.294 10.179 5.870 1.00 0.00 C ATOM 549 OE1 GLU A 33 8.343 11.407 5.654 1.00 0.00 O ATOM 550 OE2 GLU A 33 8.264 9.698 7.020 1.00 0.00 O ATOM 0 H GLU A 33 9.147 6.660 3.846 1.00 0.00 H new ATOM 0 HA GLU A 33 8.906 8.846 2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.296 8.558 4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.072 10.079 3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.566 9.618 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.910 8.264 4.993 1.00 0.00 H new ATOM 557 N ALA A 34 11.192 9.356 1.163 1.00 0.00 N ATOM 558 CA ALA A 34 12.434 9.481 0.399 1.00 0.00 C ATOM 559 C ALA A 34 13.564 10.056 1.246 1.00 0.00 C ATOM 560 O ALA A 34 14.665 10.300 0.750 1.00 0.00 O ATOM 561 CB ALA A 34 12.204 10.350 -0.829 1.00 0.00 C ATOM 0 H ALA A 34 10.498 10.071 0.947 1.00 0.00 H new ATOM 0 HA ALA A 34 12.734 8.481 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.133 10.438 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.440 9.895 -1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.874 11.341 -0.517 1.00 0.00 H new ATOM 567 N ASP A 35 13.286 10.262 2.521 1.00 0.00 N ATOM 568 CA ASP A 35 14.273 10.782 3.458 1.00 0.00 C ATOM 569 C ASP A 35 13.870 10.443 4.884 1.00 0.00 C ATOM 570 O ASP A 35 14.706 10.077 5.708 1.00 0.00 O ATOM 571 CB ASP A 35 14.414 12.300 3.306 1.00 0.00 C ATOM 572 CG ASP A 35 15.235 12.926 4.417 1.00 0.00 C ATOM 573 OD1 ASP A 35 16.480 12.904 4.330 1.00 0.00 O ATOM 574 OD2 ASP A 35 14.636 13.445 5.384 1.00 0.00 O ATOM 0 H ASP A 35 12.374 10.075 2.938 1.00 0.00 H new ATOM 0 HA ASP A 35 15.234 10.318 3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.879 12.523 2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.423 12.753 3.293 1.00 0.00 H new ATOM 579 N GLY A 36 12.574 10.548 5.156 1.00 0.00 N ATOM 580 CA GLY A 36 12.069 10.325 6.498 1.00 0.00 C ATOM 581 C GLY A 36 12.141 8.875 6.950 1.00 0.00 C ATOM 582 O GLY A 36 11.865 8.576 8.110 1.00 0.00 O ATOM 0 H GLY A 36 11.861 10.785 4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.635 10.942 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.033 10.659 6.546 1.00 0.00 H new ATOM 586 N ASP A 37 12.506 7.969 6.051 1.00 0.00 N ATOM 587 CA ASP A 37 12.603 6.558 6.413 1.00 0.00 C ATOM 588 C ASP A 37 13.680 5.860 5.592 1.00 0.00 C ATOM 589 O ASP A 37 14.540 5.168 6.134 1.00 0.00 O ATOM 590 CB ASP A 37 11.259 5.852 6.217 1.00 0.00 C ATOM 591 CG ASP A 37 11.195 4.534 6.966 1.00 0.00 C ATOM 592 OD1 ASP A 37 10.833 4.546 8.162 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.517 3.489 6.377 1.00 0.00 O ATOM 0 H ASP A 37 12.737 8.180 5.080 1.00 0.00 H new ATOM 0 HA ASP A 37 12.877 6.504 7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.454 6.503 6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.095 5.674 5.154 1.00 0.00 H new ATOM 598 N CYS A 38 13.634 6.050 4.282 1.00 0.00 N ATOM 599 CA CYS A 38 14.619 5.457 3.387 1.00 0.00 C ATOM 600 C CYS A 38 15.217 6.550 2.505 1.00 0.00 C ATOM 601 O CYS A 38 14.842 7.712 2.628 1.00 0.00 O ATOM 602 CB CYS A 38 13.957 4.357 2.545 1.00 0.00 C ATOM 603 SG CYS A 38 15.096 3.417 1.465 1.00 0.00 S ATOM 0 H CYS A 38 12.923 6.612 3.813 1.00 0.00 H new ATOM 0 HA CYS A 38 15.424 5.000 3.963 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.457 3.658 3.216 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.184 4.811 1.925 1.00 0.00 H new ATOM 608 N HIS A 39 16.147 6.192 1.629 1.00 0.00 N ATOM 609 CA HIS A 39 16.791 7.176 0.759 1.00 0.00 C ATOM 610 C HIS A 39 16.090 7.274 -0.597 1.00 0.00 C ATOM 611 O HIS A 39 16.589 7.919 -1.518 1.00 0.00 O ATOM 612 CB HIS A 39 18.284 6.859 0.581 1.00 0.00 C ATOM 613 CG HIS A 39 18.584 5.466 0.115 1.00 0.00 C ATOM 614 ND1 HIS A 39 18.787 4.416 0.982 1.00 0.00 N ATOM 615 CD2 HIS A 39 18.733 4.954 -1.128 1.00 0.00 C ATOM 616 CE1 HIS A 39 19.048 3.322 0.294 1.00 0.00 C ATOM 617 NE2 HIS A 39 19.020 3.619 -0.989 1.00 0.00 N ATOM 0 H HIS A 39 16.473 5.234 1.500 1.00 0.00 H new ATOM 0 HA HIS A 39 16.704 8.148 1.245 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.707 7.564 -0.134 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.791 7.025 1.531 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.643 5.496 -2.058 1.00 0.00 H new ATOM 0 HE1 HIS A 39 19.251 2.347 0.712 1.00 0.00 H new ATOM 0 HE2 HIS A 39 19.185 2.964 -1.754 1.00 0.00 H new ATOM 626 N LEU A 40 14.934 6.637 -0.711 1.00 0.00 N ATOM 627 CA LEU A 40 14.103 6.752 -1.904 1.00 0.00 C ATOM 628 C LEU A 40 12.642 6.593 -1.518 1.00 0.00 C ATOM 629 O LEU A 40 12.342 6.094 -0.432 1.00 0.00 O ATOM 630 CB LEU A 40 14.476 5.712 -2.964 1.00 0.00 C ATOM 631 CG LEU A 40 14.156 4.265 -2.602 1.00 0.00 C ATOM 632 CD1 LEU A 40 13.577 3.545 -3.806 1.00 0.00 C ATOM 633 CD2 LEU A 40 15.400 3.549 -2.098 1.00 0.00 C ATOM 0 H LEU A 40 14.547 6.031 0.012 1.00 0.00 H new ATOM 0 HA LEU A 40 14.272 7.738 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.958 5.960 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.544 5.791 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 40 13.416 4.261 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.351 2.513 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.663 4.046 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 40 14.301 3.559 -4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.150 2.519 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 40 16.164 3.557 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 40 15.779 4.058 -1.212 1.00 0.00 H new ATOM 645 N GLN A 41 11.742 7.004 -2.399 1.00 0.00 N ATOM 646 CA GLN A 41 10.315 6.961 -2.106 1.00 0.00 C ATOM 647 C GLN A 41 9.659 5.745 -2.748 1.00 0.00 C ATOM 648 O GLN A 41 9.962 5.391 -3.890 1.00 0.00 O ATOM 649 CB GLN A 41 9.624 8.233 -2.601 1.00 0.00 C ATOM 650 CG GLN A 41 8.160 8.315 -2.201 1.00 0.00 C ATOM 651 CD GLN A 41 7.461 9.531 -2.774 1.00 0.00 C ATOM 652 OE1 GLN A 41 8.082 10.565 -3.012 1.00 0.00 O ATOM 653 NE2 GLN A 41 6.161 9.420 -2.992 1.00 0.00 N ATOM 0 H GLN A 41 11.973 7.371 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 41 10.204 6.889 -1.024 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.151 9.102 -2.206 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.700 8.281 -3.687 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.646 7.414 -2.536 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.086 8.338 -1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.681 8.545 -2.781 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.638 10.210 -3.371 1.00 0.00 H new ATOM 662 N ALA A 42 8.757 5.114 -2.009 1.00 0.00 N ATOM 663 CA ALA A 42 8.007 3.978 -2.516 1.00 0.00 C ATOM 664 C ALA A 42 6.667 3.863 -1.810 1.00 0.00 C ATOM 665 O ALA A 42 6.524 4.272 -0.659 1.00 0.00 O ATOM 666 CB ALA A 42 8.797 2.687 -2.340 1.00 0.00 C ATOM 0 H ALA A 42 8.527 5.374 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 42 7.832 4.139 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.216 1.849 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.738 2.759 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.003 2.528 -1.282 1.00 0.00 H new ATOM 672 N PHE A 43 5.683 3.325 -2.507 1.00 0.00 N ATOM 673 CA PHE A 43 4.401 3.012 -1.902 1.00 0.00 C ATOM 674 C PHE A 43 4.294 1.513 -1.738 1.00 0.00 C ATOM 675 O PHE A 43 3.997 0.800 -2.690 1.00 0.00 O ATOM 676 CB PHE A 43 3.245 3.518 -2.768 1.00 0.00 C ATOM 677 CG PHE A 43 2.823 4.926 -2.468 1.00 0.00 C ATOM 678 CD1 PHE A 43 3.456 6.003 -3.064 1.00 0.00 C ATOM 679 CD2 PHE A 43 1.780 5.168 -1.589 1.00 0.00 C ATOM 680 CE1 PHE A 43 3.060 7.298 -2.788 1.00 0.00 C ATOM 681 CE2 PHE A 43 1.377 6.459 -1.308 1.00 0.00 C ATOM 682 CZ PHE A 43 2.017 7.527 -1.909 1.00 0.00 C ATOM 0 H PHE A 43 5.748 3.094 -3.498 1.00 0.00 H new ATOM 0 HA PHE A 43 4.338 3.506 -0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.536 3.453 -3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.389 2.857 -2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.269 5.829 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.276 4.337 -1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.564 8.130 -3.258 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.563 6.634 -0.620 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.703 8.538 -1.693 1.00 0.00 H new ATOM 692 N VAL A 44 4.552 1.024 -0.544 1.00 0.00 N ATOM 693 CA VAL A 44 4.574 -0.406 -0.337 1.00 0.00 C ATOM 694 C VAL A 44 3.341 -0.836 0.453 1.00 0.00 C ATOM 695 O VAL A 44 2.868 -0.118 1.338 1.00 0.00 O ATOM 696 CB VAL A 44 5.901 -0.874 0.330 1.00 0.00 C ATOM 697 CG1 VAL A 44 7.034 0.081 -0.008 1.00 0.00 C ATOM 698 CG2 VAL A 44 5.789 -1.047 1.831 1.00 0.00 C ATOM 0 H VAL A 44 4.746 1.585 0.285 1.00 0.00 H new ATOM 0 HA VAL A 44 4.539 -0.899 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 44 6.120 -1.860 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.953 -0.262 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.174 0.112 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.789 1.079 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.748 -1.374 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.510 -0.097 2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.028 -1.794 2.055 1.00 0.00 H new ATOM 708 N LEU A 45 2.791 -1.983 0.094 1.00 0.00 N ATOM 709 CA LEU A 45 1.526 -2.421 0.655 1.00 0.00 C ATOM 710 C LEU A 45 1.734 -3.439 1.758 1.00 0.00 C ATOM 711 O LEU A 45 2.481 -4.407 1.599 1.00 0.00 O ATOM 712 CB LEU A 45 0.622 -2.983 -0.443 1.00 0.00 C ATOM 713 CG LEU A 45 0.130 -1.939 -1.444 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.827 -2.555 -2.450 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.541 -0.790 -0.711 1.00 0.00 C ATOM 0 H LEU A 45 3.200 -2.627 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 45 1.035 -1.554 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.164 -3.760 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.241 -3.460 0.021 1.00 0.00 H new ATOM 0 HG LEU A 45 0.992 -1.557 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.161 -1.789 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.319 -3.349 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.689 -2.969 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.888 -0.051 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.390 -1.168 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.173 -0.325 -0.031 1.00 0.00 H new ATOM 727 N HIS A 46 1.055 -3.215 2.869 1.00 0.00 N ATOM 728 CA HIS A 46 1.223 -4.037 4.048 1.00 0.00 C ATOM 729 C HIS A 46 0.077 -5.026 4.183 1.00 0.00 C ATOM 730 O HIS A 46 -1.022 -4.669 4.618 1.00 0.00 O ATOM 731 CB HIS A 46 1.296 -3.153 5.291 1.00 0.00 C ATOM 732 CG HIS A 46 1.678 -3.887 6.533 1.00 0.00 C ATOM 733 ND1 HIS A 46 2.962 -3.910 7.014 1.00 0.00 N ATOM 734 CD2 HIS A 46 0.939 -4.619 7.398 1.00 0.00 C ATOM 735 CE1 HIS A 46 3.004 -4.625 8.119 1.00 0.00 C ATOM 736 NE2 HIS A 46 1.788 -5.067 8.374 1.00 0.00 N ATOM 0 H HIS A 46 0.376 -2.462 2.977 1.00 0.00 H new ATOM 0 HA HIS A 46 2.152 -4.598 3.948 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.018 -2.355 5.116 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.327 -2.678 5.445 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.761 -3.445 6.583 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.121 -4.813 7.331 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.884 -4.817 8.715 1.00 0.00 H new ATOM 745 N LEU A 47 0.335 -6.263 3.804 1.00 0.00 N ATOM 746 CA LEU A 47 -0.621 -7.332 4.004 1.00 0.00 C ATOM 747 C LEU A 47 -0.498 -7.831 5.432 1.00 0.00 C ATOM 748 O LEU A 47 0.469 -7.512 6.127 1.00 0.00 O ATOM 749 CB LEU A 47 -0.390 -8.494 3.025 1.00 0.00 C ATOM 750 CG LEU A 47 -0.525 -8.156 1.537 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.736 -7.488 1.008 1.00 0.00 C ATOM 752 CD2 LEU A 47 -0.843 -9.415 0.742 1.00 0.00 C ATOM 0 H LEU A 47 1.203 -6.552 3.354 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.622 -6.943 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.609 -8.895 3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.097 -9.289 3.262 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.347 -7.450 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.610 -7.260 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.917 -6.565 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.585 -8.160 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.937 -9.164 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.040 -10.140 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.780 -9.843 1.098 1.00 0.00 H new ATOM 764 N ALA A 48 -1.445 -8.636 5.860 1.00 0.00 N ATOM 765 CA ALA A 48 -1.482 -9.088 7.245 1.00 0.00 C ATOM 766 C ALA A 48 -0.444 -10.177 7.507 1.00 0.00 C ATOM 767 O ALA A 48 -0.345 -10.700 8.618 1.00 0.00 O ATOM 768 CB ALA A 48 -2.877 -9.579 7.601 1.00 0.00 C ATOM 0 H ALA A 48 -2.201 -8.994 5.276 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.234 -8.239 7.882 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.891 -9.914 8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.592 -8.767 7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.148 -10.409 6.948 1.00 0.00 H new ATOM 774 N GLN A 49 0.330 -10.518 6.481 1.00 0.00 N ATOM 775 CA GLN A 49 1.333 -11.568 6.601 1.00 0.00 C ATOM 776 C GLN A 49 2.656 -11.138 5.964 1.00 0.00 C ATOM 777 O GLN A 49 3.637 -11.879 6.012 1.00 0.00 O ATOM 778 CB GLN A 49 0.861 -12.866 5.922 1.00 0.00 C ATOM 779 CG GLN A 49 -0.609 -13.217 6.151 1.00 0.00 C ATOM 780 CD GLN A 49 -1.567 -12.461 5.235 1.00 0.00 C ATOM 781 OE1 GLN A 49 -2.691 -12.148 5.621 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.147 -12.192 4.006 1.00 0.00 N ATOM 0 H GLN A 49 0.281 -10.083 5.560 1.00 0.00 H new ATOM 0 HA GLN A 49 1.481 -11.747 7.666 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.036 -12.782 4.849 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.476 -13.691 6.281 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.746 -14.288 6.002 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.867 -13.004 7.188 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.208 -12.465 3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.763 -11.712 3.350 1.00 0.00 H new ATOM 791 N ARG A 50 2.689 -9.942 5.373 1.00 0.00 N ATOM 792 CA ARG A 50 3.834 -9.538 4.552 1.00 0.00 C ATOM 793 C ARG A 50 3.698 -8.100 4.068 1.00 0.00 C ATOM 794 O ARG A 50 2.648 -7.488 4.215 1.00 0.00 O ATOM 795 CB ARG A 50 3.945 -10.460 3.332 1.00 0.00 C ATOM 796 CG ARG A 50 2.665 -10.508 2.508 1.00 0.00 C ATOM 797 CD ARG A 50 2.812 -11.375 1.271 1.00 0.00 C ATOM 798 NE ARG A 50 3.221 -12.741 1.600 1.00 0.00 N ATOM 799 CZ ARG A 50 3.166 -13.768 0.750 1.00 0.00 C ATOM 800 NH1 ARG A 50 2.734 -13.590 -0.495 1.00 0.00 N ATOM 801 NH2 ARG A 50 3.550 -14.972 1.153 1.00 0.00 N ATOM 0 H ARG A 50 1.948 -9.245 5.445 1.00 0.00 H new ATOM 0 HA ARG A 50 4.728 -9.613 5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.766 -10.121 2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.195 -11.467 3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.852 -10.892 3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.388 -9.497 2.210 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.865 -11.401 0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.547 -10.929 0.601 1.00 0.00 H new ATOM 0 HE ARG A 50 3.571 -12.920 2.541 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.442 -12.663 -0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.695 -14.380 -1.139 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.884 -15.108 2.107 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.511 -15.762 0.509 1.00 0.00 H new ATOM 815 N SER A 51 4.763 -7.580 3.476 1.00 0.00 N ATOM 816 CA SER A 51 4.731 -6.281 2.822 1.00 0.00 C ATOM 817 C SER A 51 5.399 -6.375 1.456 1.00 0.00 C ATOM 818 O SER A 51 6.421 -7.047 1.299 1.00 0.00 O ATOM 819 CB SER A 51 5.429 -5.221 3.680 1.00 0.00 C ATOM 820 OG SER A 51 4.695 -4.949 4.861 1.00 0.00 O ATOM 0 H SER A 51 5.670 -8.045 3.436 1.00 0.00 H new ATOM 0 HA SER A 51 3.691 -5.983 2.694 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.430 -5.564 3.942 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.547 -4.304 3.103 1.00 0.00 H new ATOM 0 HG SER A 51 4.343 -4.035 4.824 1.00 0.00 H new ATOM 826 N ILE A 52 4.803 -5.724 0.470 1.00 0.00 N ATOM 827 CA ILE A 52 5.317 -5.745 -0.893 1.00 0.00 C ATOM 828 C ILE A 52 5.659 -4.326 -1.326 1.00 0.00 C ATOM 829 O ILE A 52 4.943 -3.390 -0.981 1.00 0.00 O ATOM 830 CB ILE A 52 4.282 -6.351 -1.869 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.862 -7.750 -1.397 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.844 -6.416 -3.286 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.790 -8.386 -2.254 1.00 0.00 C ATOM 0 H ILE A 52 3.955 -5.169 0.589 1.00 0.00 H new ATOM 0 HA ILE A 52 6.212 -6.367 -0.915 1.00 0.00 H new ATOM 0 HB ILE A 52 3.404 -5.705 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.738 -8.398 -1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.502 -7.684 -0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.098 -6.846 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.097 -5.411 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.739 -7.038 -3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.546 -9.372 -1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.898 -7.760 -2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.153 -8.485 -3.277 1.00 0.00 H new ATOM 845 N CYS A 53 6.720 -4.161 -2.106 1.00 0.00 N ATOM 846 CA CYS A 53 7.192 -2.828 -2.456 1.00 0.00 C ATOM 847 C CYS A 53 6.730 -2.448 -3.855 1.00 0.00 C ATOM 848 O CYS A 53 7.020 -3.136 -4.837 1.00 0.00 O ATOM 849 CB CYS A 53 8.720 -2.771 -2.373 1.00 0.00 C ATOM 850 SG CYS A 53 9.403 -3.404 -0.803 1.00 0.00 S ATOM 0 H CYS A 53 7.265 -4.925 -2.505 1.00 0.00 H new ATOM 0 HA CYS A 53 6.772 -2.115 -1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 53 9.140 -3.346 -3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.043 -1.739 -2.508 1.00 0.00 H new ATOM 855 N ILE A 54 6.000 -1.349 -3.937 1.00 0.00 N ATOM 856 CA ILE A 54 5.419 -0.901 -5.189 1.00 0.00 C ATOM 857 C ILE A 54 5.958 0.473 -5.589 1.00 0.00 C ATOM 858 O ILE A 54 6.195 1.335 -4.740 1.00 0.00 O ATOM 859 CB ILE A 54 3.869 -0.873 -5.087 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.288 -2.261 -5.383 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.260 0.179 -6.003 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.772 -2.312 -5.337 1.00 0.00 C ATOM 0 H ILE A 54 5.794 -0.745 -3.141 1.00 0.00 H new ATOM 0 HA ILE A 54 5.704 -1.610 -5.966 1.00 0.00 H new ATOM 0 HB ILE A 54 3.609 -0.597 -4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.623 -2.582 -6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.688 -2.974 -4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.175 0.166 -5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.638 1.164 -5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.530 -0.038 -7.036 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.435 -3.325 -5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.428 -2.022 -4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.362 -1.625 -6.078 1.00 0.00 H new ATOM 874 N HIS A 55 6.185 0.650 -6.889 1.00 0.00 N ATOM 875 CA HIS A 55 6.595 1.939 -7.436 1.00 0.00 C ATOM 876 C HIS A 55 5.507 2.975 -7.168 1.00 0.00 C ATOM 877 O HIS A 55 4.343 2.725 -7.458 1.00 0.00 O ATOM 878 CB HIS A 55 6.843 1.810 -8.947 1.00 0.00 C ATOM 879 CG HIS A 55 7.398 3.048 -9.586 1.00 0.00 C ATOM 880 ND1 HIS A 55 6.705 3.800 -10.514 1.00 0.00 N ATOM 881 CD2 HIS A 55 8.597 3.659 -9.433 1.00 0.00 C ATOM 882 CE1 HIS A 55 7.457 4.818 -10.896 1.00 0.00 C ATOM 883 NE2 HIS A 55 8.605 4.754 -10.255 1.00 0.00 N ATOM 0 H HIS A 55 6.091 -0.089 -7.586 1.00 0.00 H new ATOM 0 HA HIS A 55 7.519 2.259 -6.955 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.532 0.984 -9.122 1.00 0.00 H new ATOM 0 HB3 HIS A 55 5.905 1.551 -9.437 1.00 0.00 H new ATOM 0 HD1 HIS A 55 5.763 3.602 -10.851 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.399 3.341 -8.783 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.177 5.575 -11.613 1.00 0.00 H new ATOM 892 N PRO A 56 5.872 4.142 -6.611 1.00 0.00 N ATOM 893 CA PRO A 56 4.907 5.193 -6.261 1.00 0.00 C ATOM 894 C PRO A 56 3.957 5.514 -7.408 1.00 0.00 C ATOM 895 O PRO A 56 2.755 5.666 -7.208 1.00 0.00 O ATOM 896 CB PRO A 56 5.783 6.407 -5.913 1.00 0.00 C ATOM 897 CG PRO A 56 7.184 6.028 -6.276 1.00 0.00 C ATOM 898 CD PRO A 56 7.243 4.528 -6.268 1.00 0.00 C ATOM 0 HA PRO A 56 4.259 4.887 -5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.463 7.290 -6.466 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.708 6.650 -4.853 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.449 6.420 -7.258 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.895 6.447 -5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.963 4.149 -6.994 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.539 4.141 -5.293 1.00 0.00 H new ATOM 906 N GLN A 57 4.499 5.608 -8.611 1.00 0.00 N ATOM 907 CA GLN A 57 3.673 5.761 -9.796 1.00 0.00 C ATOM 908 C GLN A 57 3.269 4.382 -10.307 1.00 0.00 C ATOM 909 O GLN A 57 3.936 3.823 -11.181 1.00 0.00 O ATOM 910 CB GLN A 57 4.415 6.513 -10.908 1.00 0.00 C ATOM 911 CG GLN A 57 4.669 7.994 -10.646 1.00 0.00 C ATOM 912 CD GLN A 57 5.581 8.254 -9.461 1.00 0.00 C ATOM 913 OE1 GLN A 57 4.996 8.564 -8.317 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 6.804 8.213 -9.586 1.00 0.00 N flip ATOM 0 H GLN A 57 5.502 5.581 -8.792 1.00 0.00 H new ATOM 0 HA GLN A 57 2.792 6.342 -9.523 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.374 6.023 -11.076 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.842 6.419 -11.831 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.109 8.442 -11.537 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.715 8.493 -10.476 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.217 7.969 -10.486 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.405 8.423 -8.789 1.00 0.00 H new ATOM 923 N ASN A 58 2.233 3.807 -9.711 1.00 0.00 N ATOM 924 CA ASN A 58 1.723 2.513 -10.147 1.00 0.00 C ATOM 925 C ASN A 58 0.207 2.461 -10.011 1.00 0.00 C ATOM 926 O ASN A 58 -0.334 2.711 -8.930 1.00 0.00 O ATOM 927 CB ASN A 58 2.341 1.387 -9.319 1.00 0.00 C ATOM 928 CG ASN A 58 2.019 0.009 -9.865 1.00 0.00 C ATOM 929 OD1 ASN A 58 1.878 -0.186 -11.069 1.00 0.00 O ATOM 930 ND2 ASN A 58 1.889 -0.959 -8.979 1.00 0.00 N ATOM 0 H ASN A 58 1.729 4.216 -8.924 1.00 0.00 H new ATOM 0 HA ASN A 58 1.995 2.381 -11.194 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.423 1.517 -9.288 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.982 1.459 -8.292 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.664 -1.905 -9.287 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.013 -0.762 -7.986 1.00 0.00 H new ATOM 937 N PRO A 59 -0.495 2.123 -11.103 1.00 0.00 N ATOM 938 CA PRO A 59 -1.957 2.005 -11.115 1.00 0.00 C ATOM 939 C PRO A 59 -2.485 1.066 -10.027 1.00 0.00 C ATOM 940 O PRO A 59 -3.579 1.266 -9.516 1.00 0.00 O ATOM 941 CB PRO A 59 -2.277 1.439 -12.508 1.00 0.00 C ATOM 942 CG PRO A 59 -0.970 0.991 -13.069 1.00 0.00 C ATOM 943 CD PRO A 59 0.075 1.855 -12.429 1.00 0.00 C ATOM 0 HA PRO A 59 -2.430 2.966 -10.915 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.980 0.609 -12.442 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.737 2.196 -13.143 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.792 -0.062 -12.850 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.954 1.099 -14.154 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.036 1.345 -12.361 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.241 2.774 -12.992 1.00 0.00 H new ATOM 951 N SER A 60 -1.699 0.051 -9.667 1.00 0.00 N ATOM 952 CA SER A 60 -2.124 -0.912 -8.653 1.00 0.00 C ATOM 953 C SER A 60 -2.315 -0.230 -7.301 1.00 0.00 C ATOM 954 O SER A 60 -3.193 -0.612 -6.534 1.00 0.00 O ATOM 955 CB SER A 60 -1.109 -2.053 -8.513 1.00 0.00 C ATOM 956 OG SER A 60 -1.653 -3.148 -7.795 1.00 0.00 O ATOM 0 H SER A 60 -0.774 -0.124 -10.058 1.00 0.00 H new ATOM 0 HA SER A 60 -3.077 -1.329 -8.979 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.795 -2.385 -9.502 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.218 -1.688 -8.002 1.00 0.00 H new ATOM 0 HG SER A 60 -1.116 -3.312 -6.992 1.00 0.00 H new ATOM 962 N LEU A 61 -1.503 0.785 -7.022 1.00 0.00 N ATOM 963 CA LEU A 61 -1.597 1.508 -5.760 1.00 0.00 C ATOM 964 C LEU A 61 -2.790 2.467 -5.825 1.00 0.00 C ATOM 965 O LEU A 61 -3.583 2.558 -4.887 1.00 0.00 O ATOM 966 CB LEU A 61 -0.284 2.268 -5.490 1.00 0.00 C ATOM 967 CG LEU A 61 0.096 2.509 -4.010 1.00 0.00 C ATOM 968 CD1 LEU A 61 -1.003 3.240 -3.263 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.433 1.201 -3.302 1.00 0.00 C ATOM 0 H LEU A 61 -0.775 1.124 -7.651 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.752 0.809 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.529 1.718 -5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.345 3.237 -5.986 1.00 0.00 H new ATOM 0 HG LEU A 61 0.985 3.140 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.700 3.391 -2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.182 4.207 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.918 2.648 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.696 1.406 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.431 0.537 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.276 0.723 -3.802 1.00 0.00 H new ATOM 981 N SER A 62 -2.926 3.156 -6.956 1.00 0.00 N ATOM 982 CA SER A 62 -4.051 4.070 -7.171 1.00 0.00 C ATOM 983 C SER A 62 -5.395 3.335 -7.100 1.00 0.00 C ATOM 984 O SER A 62 -6.317 3.763 -6.388 1.00 0.00 O ATOM 985 CB SER A 62 -3.898 4.779 -8.519 1.00 0.00 C ATOM 986 OG SER A 62 -2.716 5.560 -8.542 1.00 0.00 O ATOM 0 H SER A 62 -2.273 3.101 -7.738 1.00 0.00 H new ATOM 0 HA SER A 62 -4.041 4.813 -6.373 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.869 4.042 -9.322 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.764 5.415 -8.701 1.00 0.00 H new ATOM 0 HG SER A 62 -2.634 6.004 -9.412 1.00 0.00 H new ATOM 992 N GLN A 63 -5.503 2.222 -7.824 1.00 0.00 N ATOM 993 CA GLN A 63 -6.713 1.408 -7.792 1.00 0.00 C ATOM 994 C GLN A 63 -6.952 0.889 -6.383 1.00 0.00 C ATOM 995 O GLN A 63 -8.092 0.721 -5.955 1.00 0.00 O ATOM 996 CB GLN A 63 -6.618 0.225 -8.762 1.00 0.00 C ATOM 997 CG GLN A 63 -6.460 0.631 -10.216 1.00 0.00 C ATOM 998 CD GLN A 63 -6.370 -0.564 -11.142 1.00 0.00 C ATOM 999 OE1 GLN A 63 -7.376 -1.031 -11.673 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -5.164 -1.076 -11.325 1.00 0.00 N ATOM 0 H GLN A 63 -4.770 1.866 -8.437 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.547 2.038 -8.101 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.772 -0.400 -8.476 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.514 -0.387 -8.662 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.305 1.253 -10.511 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.563 1.240 -10.325 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.356 -0.656 -10.864 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.042 -1.891 -11.927 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.869 0.660 -5.654 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.973 0.158 -4.301 1.00 0.00 C ATOM 1011 C TRP A 64 -6.607 1.197 -3.387 1.00 0.00 C ATOM 1012 O TRP A 64 -7.293 0.844 -2.440 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.603 -0.280 -3.769 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.656 -0.849 -2.383 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.831 -0.546 -1.341 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.598 -1.807 -1.883 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.201 -1.257 -0.225 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.283 -2.033 -0.533 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.681 -2.493 -2.446 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.009 -2.911 0.258 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.399 -3.363 -1.655 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.063 -3.563 -0.318 1.00 0.00 C ATOM 0 H TRP A 64 -4.915 0.814 -5.979 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.620 -0.719 -4.315 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.181 -1.025 -4.444 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.928 0.576 -3.777 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.007 0.151 -1.386 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.743 -1.213 0.685 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.949 -2.343 -3.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.750 -3.074 1.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.236 -3.899 -2.078 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.648 -4.249 0.277 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.408 2.473 -3.680 1.00 0.00 N ATOM 1034 CA PHE A 65 -7.081 3.524 -2.927 1.00 0.00 C ATOM 1035 C PHE A 65 -8.593 3.387 -3.070 1.00 0.00 C ATOM 1036 O PHE A 65 -9.338 3.527 -2.097 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.634 4.912 -3.388 1.00 0.00 C ATOM 1038 CG PHE A 65 -5.233 5.264 -2.976 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -4.731 4.854 -1.751 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.427 6.024 -3.805 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -3.450 5.190 -1.363 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -3.143 6.364 -3.424 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.655 5.949 -2.200 1.00 0.00 C ATOM 0 H PHE A 65 -5.794 2.805 -4.424 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.808 3.413 -1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.708 4.965 -4.474 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.320 5.657 -2.985 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.350 4.264 -1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.806 6.355 -4.761 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.070 4.860 -0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.522 6.953 -4.082 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.653 6.218 -1.898 1.00 0.00 H new ATOM 1053 N GLU A 66 -9.040 3.095 -4.287 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.457 2.856 -4.534 1.00 0.00 C ATOM 1055 C GLU A 66 -10.903 1.577 -3.824 1.00 0.00 C ATOM 1056 O GLU A 66 -11.897 1.551 -3.084 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.722 2.702 -6.032 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.100 3.784 -6.893 1.00 0.00 C ATOM 1059 CD GLU A 66 -10.257 3.474 -8.368 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -9.431 2.706 -8.913 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -11.221 3.976 -8.987 1.00 0.00 O ATOM 0 H GLU A 66 -8.446 3.019 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.017 3.710 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.343 1.733 -6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.799 2.696 -6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.567 4.743 -6.669 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.042 3.881 -6.650 1.00 0.00 H new ATOM 1068 N HIS A 67 -10.134 0.517 -4.043 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.482 -0.808 -3.548 1.00 0.00 C ATOM 1070 C HIS A 67 -10.449 -0.862 -2.025 1.00 0.00 C ATOM 1071 O HIS A 67 -11.365 -1.388 -1.409 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.547 -1.875 -4.134 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.741 -2.126 -5.602 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.536 -3.357 -6.184 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.092 -1.293 -6.610 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -9.746 -3.268 -7.484 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.086 -2.026 -7.766 1.00 0.00 N ATOM 0 H HIS A 67 -9.258 0.551 -4.565 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.501 -1.018 -3.873 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.514 -1.571 -3.962 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.698 -2.810 -3.594 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.264 -4.206 -5.688 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.332 -0.244 -6.519 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.655 -4.075 -8.196 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.417 -0.296 -1.417 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.279 -0.341 0.037 1.00 0.00 C ATOM 1088 C GLN A 68 -10.418 0.421 0.699 1.00 0.00 C ATOM 1089 O GLN A 68 -10.841 0.092 1.806 1.00 0.00 O ATOM 1090 CB GLN A 68 -7.930 0.235 0.488 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.852 1.757 0.434 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.488 2.293 0.818 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.451 1.533 0.518 1.00 0.00 O flip ATOM 1094 NE2 GLN A 68 -6.367 3.385 1.366 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.666 0.197 -1.901 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.321 -1.386 0.344 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.731 -0.092 1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.142 -0.181 -0.140 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.098 2.093 -0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.603 2.178 1.102 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.194 3.942 1.581 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.440 3.735 1.606 1.00 0.00 H new ATOM 1103 N GLU A 69 -10.928 1.422 -0.007 1.00 0.00 N ATOM 1104 CA GLU A 69 -12.030 2.231 0.494 1.00 0.00 C ATOM 1105 C GLU A 69 -13.316 1.406 0.568 1.00 0.00 C ATOM 1106 O GLU A 69 -14.223 1.717 1.338 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.227 3.458 -0.400 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.362 4.370 0.035 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.459 5.616 -0.815 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -13.906 5.515 -1.977 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -13.088 6.706 -0.327 1.00 0.00 O ATOM 0 H GLU A 69 -10.594 1.693 -0.932 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.787 2.567 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.301 4.033 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.415 3.124 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.304 3.824 -0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.216 4.655 1.077 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.385 0.340 -0.218 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.580 -0.502 -0.244 1.00 0.00 C ATOM 1120 C ARG A 70 -14.316 -1.889 0.352 1.00 0.00 C ATOM 1121 O ARG A 70 -15.233 -2.703 0.478 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.103 -0.625 -1.679 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.095 -1.209 -2.654 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.546 -1.036 -4.092 1.00 0.00 C ATOM 1125 NE ARG A 70 -14.622 0.373 -4.471 1.00 0.00 N ATOM 1126 CZ ARG A 70 -15.022 0.804 -5.666 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -15.374 -0.056 -6.610 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -15.065 2.102 -5.917 1.00 0.00 N ATOM 0 H ARG A 70 -12.637 0.037 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.338 -0.023 0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.996 -1.250 -1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.405 0.361 -2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.129 -0.724 -2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.953 -2.269 -2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.853 -1.554 -4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.523 -1.501 -4.225 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.352 1.070 -3.777 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.340 -1.059 -6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.679 0.284 -7.522 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.792 2.770 -5.196 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.371 2.435 -6.831 1.00 0.00 H new ATOM 1142 N LYS A 71 -13.069 -2.149 0.727 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.679 -3.449 1.259 1.00 0.00 C ATOM 1144 C LYS A 71 -12.093 -3.300 2.666 1.00 0.00 C ATOM 1145 O LYS A 71 -12.430 -2.353 3.375 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.672 -4.096 0.306 1.00 0.00 C ATOM 1147 CG LYS A 71 -12.221 -4.287 -1.103 1.00 0.00 C ATOM 1148 CD LYS A 71 -11.107 -4.506 -2.110 1.00 0.00 C ATOM 1149 CE LYS A 71 -10.363 -5.792 -1.836 1.00 0.00 C ATOM 1150 NZ LYS A 71 -11.096 -6.985 -2.346 1.00 0.00 N ATOM 0 H LYS A 71 -12.307 -1.473 0.672 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.556 -4.091 1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.775 -3.478 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.371 -5.064 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.899 -5.140 -1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.804 -3.412 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.524 -4.532 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.412 -3.667 -2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.378 -5.746 -2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.204 -5.896 -0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.459 -7.807 -2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.909 -7.183 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.433 -6.799 -3.312 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.218 -4.238 3.058 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.618 -4.265 4.396 1.00 0.00 C ATOM 1166 C LEU A 72 -11.652 -4.227 5.512 1.00 0.00 C ATOM 1167 O LEU A 72 -11.331 -3.854 6.639 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.629 -3.119 4.577 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.425 -3.174 3.650 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -7.876 -4.584 3.566 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -8.788 -2.660 2.280 1.00 0.00 C ATOM 0 H LEU A 72 -10.908 -4.999 2.454 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.092 -5.217 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.152 -2.176 4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.278 -3.118 5.609 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.647 -2.532 4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.015 -4.600 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.571 -4.915 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.647 -5.252 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.914 -2.707 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.585 -3.274 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.128 -1.627 2.357 1.00 0.00 H new