USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 38 CYS SG : rot -93:sc= 0.348 USER MOD Set 1.2: A 42 CYS SG : rot 136:sc= 1.49 USER MOD Set 1.3: A 69 CYS SG : rot -130:sc= 0.68 USER MOD Set 1.4: A 72 CYS SG : rot 145:sc= -1.26 USER MOD Single : A 11 GLN : amide:sc= -0.0332 X(o=-0.033,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 22 ASN : amide:sc= -1.02 X(o=-1,f=-0.56) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 160:sc= -0.512 USER MOD Single : A 41 SER OG : rot -47:sc= 0.0311 USER MOD Single : A 46 HIS : no HE2:sc= -1.16 X(o=-1.2,f=-1.3) USER MOD Single : A 51 ASN : amide:sc=-0.000366 X(o=-0.00037,f=-0.43) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 30:sc= -0.544 USER MOD Single : A 57 ASN : amide:sc= 0.214 K(o=0.21,f=-7.2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0332) USER MOD Single : A 73 GLN : amide:sc= -2.25 X(o=-2.3,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 9 -13.409 -1.127 -9.992 1.00 0.00 N ATOM 132 CA ASP A 9 -11.952 -0.998 -9.840 1.00 0.00 C ATOM 133 C ASP A 9 -11.478 0.435 -10.166 1.00 0.00 C ATOM 134 O ASP A 9 -10.369 0.823 -9.792 1.00 0.00 O ATOM 135 CB ASP A 9 -11.245 -2.038 -10.732 1.00 0.00 C ATOM 136 CG ASP A 9 -11.803 -2.084 -12.160 1.00 0.00 C ATOM 137 OD1 ASP A 9 -11.551 -1.112 -12.906 1.00 0.00 O ATOM 138 OD2 ASP A 9 -12.470 -3.091 -12.487 1.00 0.00 O ATOM 0 HA ASP A 9 -11.690 -1.191 -8.800 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.180 -1.810 -10.772 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.343 -3.024 -10.278 1.00 0.00 H new ATOM 143 N ASP A 10 -12.330 1.226 -10.845 1.00 0.00 N ATOM 144 CA ASP A 10 -12.210 2.685 -10.993 1.00 0.00 C ATOM 145 C ASP A 10 -11.934 3.361 -9.635 1.00 0.00 C ATOM 146 O ASP A 10 -10.797 3.711 -9.298 1.00 0.00 O ATOM 147 CB ASP A 10 -13.496 3.235 -11.652 1.00 0.00 C ATOM 148 CG ASP A 10 -13.559 2.991 -13.164 1.00 0.00 C ATOM 149 OD1 ASP A 10 -12.791 3.664 -13.886 1.00 0.00 O ATOM 150 OD2 ASP A 10 -14.378 2.139 -13.576 1.00 0.00 O ATOM 0 H ASP A 10 -13.150 0.851 -11.322 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.360 2.914 -11.636 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.363 2.772 -11.181 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.563 4.306 -11.461 1.00 0.00 H new ATOM 155 N GLN A 11 -12.998 3.551 -8.824 1.00 0.00 N ATOM 156 CA GLN A 11 -12.963 4.344 -7.587 1.00 0.00 C ATOM 157 C GLN A 11 -12.248 3.566 -6.463 1.00 0.00 C ATOM 158 O GLN A 11 -11.785 4.165 -5.492 1.00 0.00 O ATOM 159 CB GLN A 11 -14.407 4.713 -7.185 1.00 0.00 C ATOM 160 CG GLN A 11 -14.571 6.179 -6.743 1.00 0.00 C ATOM 161 CD GLN A 11 -15.524 7.009 -7.616 1.00 0.00 C ATOM 162 OE1 GLN A 11 -15.148 8.085 -8.080 1.00 0.00 O ATOM 163 NE2 GLN A 11 -16.747 6.530 -7.860 1.00 0.00 N ATOM 0 H GLN A 11 -13.916 3.150 -9.018 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.398 5.261 -7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.070 4.521 -8.029 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.727 4.060 -6.373 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.934 6.196 -5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.591 6.656 -6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.033 5.635 -7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.395 7.059 -8.444 1.00 0.00 H new ATOM 172 N ARG A 12 -12.130 2.230 -6.610 1.00 0.00 N ATOM 173 CA ARG A 12 -11.154 1.388 -5.903 1.00 0.00 C ATOM 174 C ARG A 12 -9.774 2.096 -5.875 1.00 0.00 C ATOM 175 O ARG A 12 -9.204 2.413 -4.834 1.00 0.00 O ATOM 176 CB ARG A 12 -11.025 0.026 -6.610 1.00 0.00 C ATOM 177 CG ARG A 12 -12.134 -0.985 -6.297 1.00 0.00 C ATOM 178 CD ARG A 12 -12.145 -1.412 -4.825 1.00 0.00 C ATOM 179 NE ARG A 12 -13.489 -1.858 -4.420 1.00 0.00 N ATOM 180 CZ ARG A 12 -14.053 -3.041 -4.725 1.00 0.00 C ATOM 181 NH1 ARG A 12 -13.384 -3.978 -5.416 1.00 0.00 N ATOM 182 NH2 ARG A 12 -15.311 -3.290 -4.333 1.00 0.00 N ATOM 0 H ARG A 12 -12.728 1.697 -7.241 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.497 1.228 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.004 0.195 -7.687 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.066 -0.416 -6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.100 -0.549 -6.552 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.005 -1.866 -6.926 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.427 -2.218 -4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.829 -0.579 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.042 -1.212 -3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.427 -3.800 -5.721 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.833 -4.867 -5.635 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.831 -2.586 -3.809 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.748 -4.183 -4.559 1.00 0.00 H new ATOM 196 N TRP A 13 -9.264 2.359 -7.111 1.00 0.00 N ATOM 197 CA TRP A 13 -8.008 3.081 -7.338 1.00 0.00 C ATOM 198 C TRP A 13 -8.142 4.581 -7.004 1.00 0.00 C ATOM 199 O TRP A 13 -7.126 5.253 -6.802 1.00 0.00 O ATOM 200 CB TRP A 13 -7.513 2.891 -8.791 1.00 0.00 C ATOM 201 CG TRP A 13 -6.052 3.207 -8.976 1.00 0.00 C ATOM 202 CD1 TRP A 13 -5.532 4.210 -9.720 1.00 0.00 C ATOM 203 CD2 TRP A 13 -4.910 2.557 -8.332 1.00 0.00 C ATOM 204 NE1 TRP A 13 -4.162 4.247 -9.574 1.00 0.00 N ATOM 205 CE2 TRP A 13 -3.721 3.255 -8.723 1.00 0.00 C ATOM 206 CE3 TRP A 13 -4.752 1.449 -7.465 1.00 0.00 C ATOM 207 CZ2 TRP A 13 -2.450 2.894 -8.240 1.00 0.00 C ATOM 208 CZ3 TRP A 13 -3.470 1.027 -7.042 1.00 0.00 C ATOM 209 CH2 TRP A 13 -2.321 1.746 -7.431 1.00 0.00 C ATOM 0 H TRP A 13 -9.726 2.069 -7.973 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.266 2.656 -6.662 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.695 1.861 -9.096 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.101 3.528 -9.452 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.107 4.884 -10.338 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -3.552 4.922 -10.036 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.626 0.916 -7.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.583 3.489 -8.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.371 0.151 -6.419 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.343 1.418 -7.110 1.00 0.00 H new ATOM 220 N GLN A 14 -9.385 5.114 -6.924 1.00 0.00 N ATOM 221 CA GLN A 14 -9.647 6.463 -6.383 1.00 0.00 C ATOM 222 C GLN A 14 -9.300 6.520 -4.880 1.00 0.00 C ATOM 223 O GLN A 14 -8.498 7.360 -4.461 1.00 0.00 O ATOM 224 CB GLN A 14 -11.114 6.863 -6.643 1.00 0.00 C ATOM 225 CG GLN A 14 -11.686 7.831 -5.587 1.00 0.00 C ATOM 226 CD GLN A 14 -11.787 9.298 -6.030 1.00 0.00 C ATOM 227 OE1 GLN A 14 -12.875 9.870 -6.000 1.00 0.00 O ATOM 228 NE2 GLN A 14 -10.678 9.928 -6.431 1.00 0.00 N ATOM 0 H GLN A 14 -10.225 4.623 -7.231 1.00 0.00 H new ATOM 0 HA GLN A 14 -9.007 7.182 -6.894 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -11.187 7.327 -7.627 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -11.728 5.963 -6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.679 7.485 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.062 7.780 -4.695 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.787 9.432 -6.447 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.723 10.905 -6.721 1.00 0.00 H new ATOM 237 N SER A 15 -9.904 5.634 -4.062 1.00 0.00 N ATOM 238 CA SER A 15 -9.567 5.436 -2.640 1.00 0.00 C ATOM 239 C SER A 15 -8.046 5.221 -2.423 1.00 0.00 C ATOM 240 O SER A 15 -7.471 5.699 -1.446 1.00 0.00 O ATOM 241 CB SER A 15 -10.386 4.269 -2.057 1.00 0.00 C ATOM 242 OG SER A 15 -11.724 4.288 -2.514 1.00 0.00 O ATOM 0 H SER A 15 -10.656 5.023 -4.380 1.00 0.00 H new ATOM 0 HA SER A 15 -9.831 6.349 -2.106 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.920 3.323 -2.335 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.373 4.323 -0.968 1.00 0.00 H new ATOM 0 HG SER A 15 -12.213 3.533 -2.125 1.00 0.00 H new ATOM 248 N VAL A 16 -7.414 4.501 -3.375 1.00 0.00 N ATOM 249 CA VAL A 16 -6.033 4.004 -3.318 1.00 0.00 C ATOM 250 C VAL A 16 -5.059 5.046 -3.907 1.00 0.00 C ATOM 251 O VAL A 16 -3.885 5.081 -3.515 1.00 0.00 O ATOM 252 CB VAL A 16 -5.926 2.647 -4.064 1.00 0.00 C ATOM 253 CG1 VAL A 16 -4.514 2.401 -4.626 1.00 0.00 C ATOM 254 CG2 VAL A 16 -6.286 1.452 -3.160 1.00 0.00 C ATOM 0 H VAL A 16 -7.881 4.241 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.755 3.843 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.642 2.718 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.489 1.440 -5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.259 3.194 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.793 2.395 -3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.196 0.526 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.607 1.423 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.310 1.561 -2.804 1.00 0.00 H new ATOM 264 N LEU A 17 -5.518 5.886 -4.856 1.00 0.00 N ATOM 265 CA LEU A 17 -4.775 7.031 -5.405 1.00 0.00 C ATOM 266 C LEU A 17 -4.704 8.181 -4.376 1.00 0.00 C ATOM 267 O LEU A 17 -3.671 8.837 -4.238 1.00 0.00 O ATOM 268 CB LEU A 17 -5.445 7.541 -6.700 1.00 0.00 C ATOM 269 CG LEU A 17 -4.983 6.844 -7.997 1.00 0.00 C ATOM 270 CD1 LEU A 17 -5.747 7.436 -9.191 1.00 0.00 C ATOM 271 CD2 LEU A 17 -3.472 7.006 -8.236 1.00 0.00 C ATOM 0 H LEU A 17 -6.443 5.781 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.763 6.695 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.524 7.418 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.253 8.610 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.193 5.779 -7.893 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.423 6.946 -10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.817 7.278 -9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.544 8.505 -9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.193 6.499 -9.160 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.228 8.065 -8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.923 6.568 -7.402 1.00 0.00 H new ATOM 283 N ALA A 18 -5.816 8.404 -3.647 1.00 0.00 N ATOM 284 CA ALA A 18 -5.912 9.298 -2.486 1.00 0.00 C ATOM 285 C ALA A 18 -4.895 8.878 -1.397 1.00 0.00 C ATOM 286 O ALA A 18 -4.538 9.671 -0.527 1.00 0.00 O ATOM 287 CB ALA A 18 -7.342 9.288 -1.924 1.00 0.00 C ATOM 0 H ALA A 18 -6.702 7.947 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.674 10.313 -2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.399 9.955 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.037 9.626 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.605 8.276 -1.617 1.00 0.00 H new ATOM 293 N ARG A 19 -4.453 7.602 -1.460 1.00 0.00 N ATOM 294 CA ARG A 19 -3.516 6.983 -0.513 1.00 0.00 C ATOM 295 C ARG A 19 -4.125 6.940 0.910 1.00 0.00 C ATOM 296 O ARG A 19 -3.443 7.221 1.895 1.00 0.00 O ATOM 297 CB ARG A 19 -2.160 7.717 -0.553 1.00 0.00 C ATOM 298 CG ARG A 19 -1.031 6.952 0.158 1.00 0.00 C ATOM 299 CD ARG A 19 0.170 7.872 0.417 1.00 0.00 C ATOM 300 NE ARG A 19 0.801 7.587 1.714 1.00 0.00 N ATOM 301 CZ ARG A 19 0.999 8.480 2.703 1.00 0.00 C ATOM 302 NH1 ARG A 19 0.612 9.760 2.578 1.00 0.00 N ATOM 303 NH2 ARG A 19 1.595 8.085 3.838 1.00 0.00 N ATOM 0 H ARG A 19 -4.751 6.961 -2.195 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.335 5.949 -0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.877 7.885 -1.592 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.272 8.698 -0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.397 6.549 1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.720 6.103 -0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.903 7.747 -0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.155 8.912 0.391 1.00 0.00 H new ATOM 0 HE ARG A 19 1.116 6.631 1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.158 10.074 1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.773 10.418 3.341 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.894 7.116 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.749 8.754 4.592 1.00 0.00 H new ATOM 317 N ASP A 20 -5.433 6.613 0.987 1.00 0.00 N ATOM 318 CA ASP A 20 -6.317 6.857 2.135 1.00 0.00 C ATOM 319 C ASP A 20 -6.025 5.848 3.273 1.00 0.00 C ATOM 320 O ASP A 20 -6.518 4.720 3.212 1.00 0.00 O ATOM 321 CB ASP A 20 -7.789 6.780 1.669 1.00 0.00 C ATOM 322 CG ASP A 20 -8.784 6.593 2.820 1.00 0.00 C ATOM 323 OD1 ASP A 20 -8.629 7.306 3.836 1.00 0.00 O ATOM 324 OD2 ASP A 20 -9.689 5.744 2.663 1.00 0.00 O ATOM 0 H ASP A 20 -5.917 6.153 0.216 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.131 7.854 2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.039 7.692 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.897 5.953 0.967 1.00 0.00 H new ATOM 329 N PRO A 21 -5.203 6.201 4.291 1.00 0.00 N ATOM 330 CA PRO A 21 -4.582 5.242 5.222 1.00 0.00 C ATOM 331 C PRO A 21 -5.622 4.426 6.022 1.00 0.00 C ATOM 332 O PRO A 21 -5.287 3.396 6.609 1.00 0.00 O ATOM 333 CB PRO A 21 -3.683 6.068 6.156 1.00 0.00 C ATOM 334 CG PRO A 21 -3.430 7.356 5.378 1.00 0.00 C ATOM 335 CD PRO A 21 -4.742 7.546 4.614 1.00 0.00 C ATOM 0 HA PRO A 21 -4.009 4.500 4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.173 6.267 7.109 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.752 5.546 6.379 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.221 8.196 6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.578 7.262 4.704 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.476 8.077 5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.588 8.136 3.710 1.00 0.00 H new ATOM 343 N ASN A 22 -6.881 4.905 6.055 1.00 0.00 N ATOM 344 CA ASN A 22 -7.944 4.487 6.982 1.00 0.00 C ATOM 345 C ASN A 22 -8.917 3.489 6.317 1.00 0.00 C ATOM 346 O ASN A 22 -9.985 3.208 6.869 1.00 0.00 O ATOM 347 CB ASN A 22 -8.717 5.731 7.471 1.00 0.00 C ATOM 348 CG ASN A 22 -9.753 5.417 8.557 1.00 0.00 C ATOM 349 OD1 ASN A 22 -10.852 5.970 8.553 1.00 0.00 O ATOM 350 ND2 ASN A 22 -9.411 4.523 9.488 1.00 0.00 N ATOM 0 H ASN A 22 -7.196 5.626 5.406 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.479 3.982 7.829 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.007 6.462 7.857 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.220 6.194 6.622 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.070 4.279 10.227 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.491 4.084 9.460 1.00 0.00 H new ATOM 357 N ALA A 23 -8.544 2.934 5.148 1.00 0.00 N ATOM 358 CA ALA A 23 -9.139 1.732 4.546 1.00 0.00 C ATOM 359 C ALA A 23 -8.199 0.515 4.697 1.00 0.00 C ATOM 360 O ALA A 23 -8.297 -0.445 3.931 1.00 0.00 O ATOM 361 CB ALA A 23 -9.459 1.995 3.066 1.00 0.00 C ATOM 0 H ALA A 23 -7.794 3.326 4.579 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.066 1.500 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.900 1.101 2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.163 2.823 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.541 2.247 2.535 1.00 0.00 H new ATOM 367 N ASP A 24 -7.304 0.556 5.703 1.00 0.00 N ATOM 368 CA ASP A 24 -6.552 -0.592 6.231 1.00 0.00 C ATOM 369 C ASP A 24 -7.489 -1.594 6.939 1.00 0.00 C ATOM 370 O ASP A 24 -7.780 -1.442 8.126 1.00 0.00 O ATOM 371 CB ASP A 24 -5.446 -0.077 7.180 1.00 0.00 C ATOM 372 CG ASP A 24 -4.794 -1.187 8.013 1.00 0.00 C ATOM 373 OD1 ASP A 24 -3.824 -1.793 7.506 1.00 0.00 O ATOM 374 OD2 ASP A 24 -5.272 -1.407 9.147 1.00 0.00 O ATOM 0 H ASP A 24 -7.078 1.425 6.187 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.086 -1.130 5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.678 0.425 6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.872 0.669 7.851 1.00 0.00 H new ATOM 379 N GLY A 25 -7.967 -2.614 6.200 1.00 0.00 N ATOM 380 CA GLY A 25 -8.971 -3.592 6.640 1.00 0.00 C ATOM 381 C GLY A 25 -10.237 -3.560 5.758 1.00 0.00 C ATOM 382 O GLY A 25 -11.014 -4.518 5.753 1.00 0.00 O ATOM 0 H GLY A 25 -7.650 -2.782 5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.538 -4.592 6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.245 -3.389 7.675 1.00 0.00 H new ATOM 386 N GLU A 26 -10.447 -2.455 5.019 1.00 0.00 N ATOM 387 CA GLU A 26 -11.548 -2.256 4.064 1.00 0.00 C ATOM 388 C GLU A 26 -11.356 -3.152 2.822 1.00 0.00 C ATOM 389 O GLU A 26 -12.311 -3.745 2.320 1.00 0.00 O ATOM 390 CB GLU A 26 -11.639 -0.765 3.671 1.00 0.00 C ATOM 391 CG GLU A 26 -13.092 -0.291 3.477 1.00 0.00 C ATOM 392 CD GLU A 26 -13.798 0.122 4.774 1.00 0.00 C ATOM 393 OE1 GLU A 26 -13.630 -0.625 5.763 1.00 0.00 O ATOM 394 OE2 GLU A 26 -14.491 1.164 4.768 1.00 0.00 O ATOM 0 H GLU A 26 -9.829 -1.646 5.075 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.487 -2.544 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.163 -0.160 4.443 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.081 -0.601 2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.098 0.554 2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.663 -1.090 3.005 1.00 0.00 H new ATOM 401 N PHE A 27 -10.098 -3.247 2.335 1.00 0.00 N ATOM 402 CA PHE A 27 -9.675 -4.139 1.248 1.00 0.00 C ATOM 403 C PHE A 27 -8.137 -4.299 1.211 1.00 0.00 C ATOM 404 O PHE A 27 -7.430 -3.735 2.047 1.00 0.00 O ATOM 405 CB PHE A 27 -10.176 -3.599 -0.108 1.00 0.00 C ATOM 406 CG PHE A 27 -9.954 -2.112 -0.354 1.00 0.00 C ATOM 407 CD1 PHE A 27 -8.967 -1.404 0.367 1.00 0.00 C ATOM 408 CD2 PHE A 27 -10.720 -1.434 -1.335 1.00 0.00 C ATOM 409 CE1 PHE A 27 -8.674 -0.062 0.038 1.00 0.00 C ATOM 410 CE2 PHE A 27 -10.443 -0.087 -1.646 1.00 0.00 C ATOM 411 CZ PHE A 27 -9.435 0.607 -0.943 1.00 0.00 C ATOM 0 H PHE A 27 -9.331 -2.685 2.704 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.113 -5.119 1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -9.683 -4.157 -0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.243 -3.806 -0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.435 -1.890 1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -11.519 -1.951 -1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.867 0.452 0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -11.002 0.414 -2.422 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.247 1.649 -1.156 1.00 0.00 H new ATOM 421 N VAL A 28 -7.630 -5.051 0.214 1.00 0.00 N ATOM 422 CA VAL A 28 -6.236 -5.041 -0.257 1.00 0.00 C ATOM 423 C VAL A 28 -6.206 -4.881 -1.793 1.00 0.00 C ATOM 424 O VAL A 28 -7.254 -4.902 -2.440 1.00 0.00 O ATOM 425 CB VAL A 28 -5.491 -6.328 0.192 1.00 0.00 C ATOM 426 CG1 VAL A 28 -5.919 -6.768 1.608 1.00 0.00 C ATOM 427 CG2 VAL A 28 -5.706 -7.513 -0.768 1.00 0.00 C ATOM 0 H VAL A 28 -8.209 -5.710 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.716 -4.193 0.189 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.434 -6.062 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.377 -7.671 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.693 -5.974 2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.990 -6.970 1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.161 -8.382 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.769 -7.748 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.341 -7.248 -1.760 1.00 0.00 H new ATOM 437 N PHE A 29 -5.002 -4.701 -2.377 1.00 0.00 N ATOM 438 CA PHE A 29 -4.770 -4.699 -3.830 1.00 0.00 C ATOM 439 C PHE A 29 -3.429 -5.381 -4.187 1.00 0.00 C ATOM 440 O PHE A 29 -2.527 -5.473 -3.354 1.00 0.00 O ATOM 441 CB PHE A 29 -4.805 -3.261 -4.390 1.00 0.00 C ATOM 442 CG PHE A 29 -3.646 -2.351 -4.000 1.00 0.00 C ATOM 443 CD1 PHE A 29 -2.307 -2.756 -4.194 1.00 0.00 C ATOM 444 CD2 PHE A 29 -3.913 -1.066 -3.460 1.00 0.00 C ATOM 445 CE1 PHE A 29 -1.245 -1.875 -3.894 1.00 0.00 C ATOM 446 CE2 PHE A 29 -2.852 -0.182 -3.176 1.00 0.00 C ATOM 447 CZ PHE A 29 -1.518 -0.584 -3.396 1.00 0.00 C ATOM 0 H PHE A 29 -4.150 -4.550 -1.837 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.574 -5.272 -4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.842 -3.319 -5.478 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.733 -2.791 -4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.094 -3.744 -4.574 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.932 -0.764 -3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.223 -2.190 -4.046 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.061 0.805 -2.789 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.706 0.096 -3.183 1.00 0.00 H new ATOM 457 N ALA A 30 -3.320 -5.879 -5.437 1.00 0.00 N ATOM 458 CA ALA A 30 -2.320 -6.849 -5.905 1.00 0.00 C ATOM 459 C ALA A 30 -1.705 -6.423 -7.256 1.00 0.00 C ATOM 460 O ALA A 30 -2.360 -6.553 -8.296 1.00 0.00 O ATOM 461 CB ALA A 30 -2.966 -8.240 -6.025 1.00 0.00 C ATOM 0 H ALA A 30 -3.961 -5.599 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.512 -6.885 -5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.223 -8.958 -6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.344 -8.551 -5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.790 -8.198 -6.737 1.00 0.00 H new ATOM 467 N VAL A 31 -0.448 -5.938 -7.256 1.00 0.00 N ATOM 468 CA VAL A 31 0.312 -5.549 -8.453 1.00 0.00 C ATOM 469 C VAL A 31 0.969 -6.793 -9.091 1.00 0.00 C ATOM 470 O VAL A 31 2.015 -7.250 -8.628 1.00 0.00 O ATOM 471 CB VAL A 31 1.373 -4.476 -8.092 1.00 0.00 C ATOM 472 CG1 VAL A 31 2.360 -4.227 -9.249 1.00 0.00 C ATOM 473 CG2 VAL A 31 0.739 -3.124 -7.716 1.00 0.00 C ATOM 0 H VAL A 31 0.080 -5.803 -6.394 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.370 -5.113 -9.183 1.00 0.00 H new ATOM 0 HB VAL A 31 1.903 -4.882 -7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.085 -3.469 -8.952 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.882 -5.154 -9.488 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.813 -3.882 -10.126 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.525 -2.409 -7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.156 -2.749 -8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.087 -3.255 -6.852 1.00 0.00 H new ATOM 483 N ARG A 32 0.348 -7.336 -10.156 1.00 0.00 N ATOM 484 CA ARG A 32 0.628 -8.661 -10.727 1.00 0.00 C ATOM 485 C ARG A 32 2.093 -8.771 -11.203 1.00 0.00 C ATOM 486 O ARG A 32 2.602 -9.881 -11.383 1.00 0.00 O ATOM 487 CB ARG A 32 -0.358 -8.937 -11.881 1.00 0.00 C ATOM 488 CG ARG A 32 -1.794 -8.500 -11.551 1.00 0.00 C ATOM 489 CD ARG A 32 -2.823 -9.564 -11.957 1.00 0.00 C ATOM 490 NE ARG A 32 -2.404 -10.266 -13.180 1.00 0.00 N ATOM 491 CZ ARG A 32 -2.581 -9.830 -14.441 1.00 0.00 C ATOM 492 NH1 ARG A 32 -3.172 -8.652 -14.698 1.00 0.00 N ATOM 493 NH2 ARG A 32 -2.162 -10.588 -15.464 1.00 0.00 N ATOM 0 H ARG A 32 -0.390 -6.842 -10.659 1.00 0.00 H new ATOM 0 HA ARG A 32 0.490 -9.416 -9.953 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.020 -8.414 -12.775 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.351 -10.002 -12.113 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.877 -8.304 -10.482 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.016 -7.565 -12.065 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.948 -10.282 -11.146 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.793 -9.094 -12.118 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.937 -11.165 -13.062 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.498 -8.066 -13.929 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.295 -8.343 -15.662 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.714 -11.486 -15.283 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.291 -10.267 -16.423 1.00 0.00 H new ATOM 507 N THR A 33 2.764 -7.625 -11.426 1.00 0.00 N ATOM 508 CA THR A 33 4.025 -7.506 -12.174 1.00 0.00 C ATOM 509 C THR A 33 5.237 -7.743 -11.248 1.00 0.00 C ATOM 510 O THR A 33 6.305 -8.145 -11.716 1.00 0.00 O ATOM 511 CB THR A 33 4.100 -6.119 -12.858 1.00 0.00 C ATOM 512 OG1 THR A 33 5.362 -5.944 -13.477 1.00 0.00 O ATOM 513 CG2 THR A 33 3.887 -4.951 -11.880 1.00 0.00 C ATOM 0 H THR A 33 2.429 -6.727 -11.077 1.00 0.00 H new ATOM 0 HA THR A 33 4.052 -8.273 -12.948 1.00 0.00 H new ATOM 0 HB THR A 33 3.294 -6.104 -13.591 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.396 -5.064 -13.907 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.952 -4.007 -12.421 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.904 -5.038 -11.418 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.655 -4.979 -11.107 1.00 0.00 H new ATOM 521 N THR A 34 5.071 -7.499 -9.934 1.00 0.00 N ATOM 522 CA THR A 34 6.062 -7.763 -8.882 1.00 0.00 C ATOM 523 C THR A 34 5.729 -9.070 -8.128 1.00 0.00 C ATOM 524 O THR A 34 6.611 -9.674 -7.517 1.00 0.00 O ATOM 525 CB THR A 34 6.134 -6.560 -7.910 1.00 0.00 C ATOM 526 OG1 THR A 34 7.134 -6.778 -6.931 1.00 0.00 O ATOM 527 CG2 THR A 34 4.806 -6.295 -7.179 1.00 0.00 C ATOM 0 H THR A 34 4.209 -7.097 -9.566 1.00 0.00 H new ATOM 0 HA THR A 34 7.040 -7.892 -9.345 1.00 0.00 H new ATOM 0 HB THR A 34 6.367 -5.692 -8.526 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.396 -5.921 -6.534 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.922 -5.440 -6.513 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.025 -6.083 -7.909 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.530 -7.174 -6.597 1.00 0.00 H new ATOM 535 N GLY A 35 4.449 -9.486 -8.155 1.00 0.00 N ATOM 536 CA GLY A 35 3.856 -10.478 -7.242 1.00 0.00 C ATOM 537 C GLY A 35 3.868 -9.981 -5.781 1.00 0.00 C ATOM 538 O GLY A 35 4.348 -10.678 -4.887 1.00 0.00 O ATOM 0 H GLY A 35 3.778 -9.129 -8.835 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.831 -10.688 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.408 -11.415 -7.313 1.00 0.00 H new ATOM 542 N ILE A 36 3.350 -8.755 -5.556 1.00 0.00 N ATOM 543 CA ILE A 36 3.174 -8.115 -4.245 1.00 0.00 C ATOM 544 C ILE A 36 1.696 -7.712 -4.050 1.00 0.00 C ATOM 545 O ILE A 36 0.984 -7.470 -5.027 1.00 0.00 O ATOM 546 CB ILE A 36 4.111 -6.880 -4.120 1.00 0.00 C ATOM 547 CG1 ILE A 36 5.610 -7.261 -4.191 1.00 0.00 C ATOM 548 CG2 ILE A 36 3.832 -6.113 -2.812 1.00 0.00 C ATOM 549 CD1 ILE A 36 6.560 -6.102 -3.858 1.00 0.00 C ATOM 0 H ILE A 36 3.030 -8.161 -6.321 1.00 0.00 H new ATOM 0 HA ILE A 36 3.442 -8.823 -3.461 1.00 0.00 H new ATOM 0 HB ILE A 36 3.893 -6.238 -4.974 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.799 -8.083 -3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.835 -7.627 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.499 -5.253 -2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.797 -5.771 -2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.003 -6.772 -1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.592 -6.446 -3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.400 -5.286 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.364 -5.750 -2.845 1.00 0.00 H new ATOM 561 N PHE A 37 1.242 -7.621 -2.784 1.00 0.00 N ATOM 562 CA PHE A 37 -0.036 -7.018 -2.379 1.00 0.00 C ATOM 563 C PHE A 37 0.145 -6.098 -1.149 1.00 0.00 C ATOM 564 O PHE A 37 0.954 -6.382 -0.265 1.00 0.00 O ATOM 565 CB PHE A 37 -1.070 -8.121 -2.076 1.00 0.00 C ATOM 566 CG PHE A 37 -0.823 -8.920 -0.803 1.00 0.00 C ATOM 567 CD1 PHE A 37 0.399 -9.603 -0.614 1.00 0.00 C ATOM 568 CD2 PHE A 37 -1.829 -9.004 0.189 1.00 0.00 C ATOM 569 CE1 PHE A 37 0.586 -10.423 0.521 1.00 0.00 C ATOM 570 CE2 PHE A 37 -1.637 -9.813 1.328 1.00 0.00 C ATOM 571 CZ PHE A 37 -0.435 -10.535 1.487 1.00 0.00 C ATOM 0 H PHE A 37 1.776 -7.978 -1.992 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.400 -6.406 -3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.056 -7.662 -2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.096 -8.812 -2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.192 -9.498 -1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.747 -8.447 0.073 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.512 -10.964 0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.410 -9.880 2.079 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.297 -11.173 2.348 1.00 0.00 H new ATOM 581 N CYS A 38 -0.608 -4.980 -1.116 1.00 0.00 N ATOM 582 CA CYS A 38 -0.607 -3.935 -0.085 1.00 0.00 C ATOM 583 C CYS A 38 -2.023 -3.706 0.494 1.00 0.00 C ATOM 584 O CYS A 38 -2.978 -4.373 0.098 1.00 0.00 O ATOM 585 CB CYS A 38 -0.059 -2.623 -0.691 1.00 0.00 C ATOM 586 SG CYS A 38 1.573 -2.825 -1.464 1.00 0.00 S ATOM 0 H CYS A 38 -1.275 -4.774 -1.860 1.00 0.00 H new ATOM 0 HA CYS A 38 0.033 -4.260 0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.764 -2.251 -1.435 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.007 -1.867 0.092 1.00 0.00 H new ATOM 0 HG CYS A 38 2.501 -2.545 -0.598 1.00 0.00 H new ATOM 591 N ARG A 39 -2.147 -2.716 1.397 1.00 0.00 N ATOM 592 CA ARG A 39 -3.386 -2.011 1.752 1.00 0.00 C ATOM 593 C ARG A 39 -3.477 -0.686 0.948 1.00 0.00 C ATOM 594 O ARG A 39 -2.459 -0.264 0.382 1.00 0.00 O ATOM 595 CB ARG A 39 -3.395 -1.737 3.275 1.00 0.00 C ATOM 596 CG ARG A 39 -4.610 -2.351 3.984 1.00 0.00 C ATOM 597 CD ARG A 39 -4.386 -3.779 4.485 1.00 0.00 C ATOM 598 NE ARG A 39 -4.633 -3.842 5.933 1.00 0.00 N ATOM 599 CZ ARG A 39 -3.912 -4.527 6.837 1.00 0.00 C ATOM 600 NH1 ARG A 39 -2.846 -5.257 6.472 1.00 0.00 N ATOM 601 NH2 ARG A 39 -4.270 -4.476 8.129 1.00 0.00 N ATOM 0 H ARG A 39 -1.344 -2.371 1.923 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.252 -2.623 1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.482 -2.137 3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.386 -0.660 3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.881 -1.719 4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.457 -2.347 3.299 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.052 -4.466 3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.366 -4.095 4.266 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.431 -3.313 6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.569 -5.300 5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.313 -5.769 7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.079 -3.923 8.413 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.733 -4.990 8.828 1.00 0.00 H new ATOM 615 N PRO A 40 -4.653 -0.027 0.829 1.00 0.00 N ATOM 616 CA PRO A 40 -4.890 1.098 -0.092 1.00 0.00 C ATOM 617 C PRO A 40 -3.818 2.212 -0.068 1.00 0.00 C ATOM 618 O PRO A 40 -3.701 2.980 -1.024 1.00 0.00 O ATOM 619 CB PRO A 40 -6.281 1.654 0.273 1.00 0.00 C ATOM 620 CG PRO A 40 -6.551 1.102 1.672 1.00 0.00 C ATOM 621 CD PRO A 40 -5.863 -0.262 1.608 1.00 0.00 C ATOM 0 HA PRO A 40 -4.834 0.728 -1.116 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.288 2.744 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.040 1.326 -0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.128 1.737 2.451 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.618 1.013 1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.627 -0.634 2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.502 -1.006 1.133 1.00 0.00 H new ATOM 629 N SER A 41 -3.065 2.310 1.042 1.00 0.00 N ATOM 630 CA SER A 41 -2.292 3.485 1.464 1.00 0.00 C ATOM 631 C SER A 41 -0.849 3.483 0.923 1.00 0.00 C ATOM 632 O SER A 41 0.016 4.163 1.507 1.00 0.00 O ATOM 633 CB SER A 41 -2.292 3.563 3.010 1.00 0.00 C ATOM 634 OG SER A 41 -1.954 4.859 3.461 1.00 0.00 O ATOM 0 H SER A 41 -2.977 1.534 1.698 1.00 0.00 H new ATOM 0 HA SER A 41 -2.773 4.367 1.041 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.276 3.289 3.390 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.583 2.840 3.412 1.00 0.00 H new ATOM 0 HG SER A 41 -1.159 5.175 2.983 1.00 0.00 H new ATOM 640 N CYS A 42 -0.532 2.726 -0.152 1.00 0.00 N ATOM 641 CA CYS A 42 0.857 2.369 -0.511 1.00 0.00 C ATOM 642 C CYS A 42 1.636 3.626 -0.964 1.00 0.00 C ATOM 643 O CYS A 42 1.509 4.062 -2.108 1.00 0.00 O ATOM 644 CB CYS A 42 0.885 1.263 -1.585 1.00 0.00 C ATOM 645 SG CYS A 42 2.528 0.474 -1.703 1.00 0.00 S ATOM 0 H CYS A 42 -1.230 2.347 -0.792 1.00 0.00 H new ATOM 0 HA CYS A 42 1.352 1.970 0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.135 0.508 -1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.616 1.688 -2.552 1.00 0.00 H new ATOM 0 HG CYS A 42 2.385 -0.816 -1.779 1.00 0.00 H new ATOM 650 N ARG A 43 2.428 4.211 -0.041 1.00 0.00 N ATOM 651 CA ARG A 43 3.001 5.561 -0.121 1.00 0.00 C ATOM 652 C ARG A 43 3.990 5.679 -1.301 1.00 0.00 C ATOM 653 O ARG A 43 4.001 6.693 -2.002 1.00 0.00 O ATOM 654 CB ARG A 43 3.680 5.908 1.221 1.00 0.00 C ATOM 655 CG ARG A 43 5.200 5.677 1.194 1.00 0.00 C ATOM 656 CD ARG A 43 5.742 5.258 2.568 1.00 0.00 C ATOM 657 NE ARG A 43 5.441 6.277 3.585 1.00 0.00 N ATOM 658 CZ ARG A 43 6.336 6.873 4.396 1.00 0.00 C ATOM 659 NH1 ARG A 43 7.645 6.589 4.321 1.00 0.00 N ATOM 660 NH2 ARG A 43 5.910 7.769 5.298 1.00 0.00 N ATOM 0 H ARG A 43 2.694 3.729 0.817 1.00 0.00 H new ATOM 0 HA ARG A 43 2.201 6.277 -0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.479 6.951 1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.239 5.304 2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.437 4.906 0.460 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.700 6.590 0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.302 4.305 2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.820 5.107 2.507 1.00 0.00 H new ATOM 0 HE ARG A 43 4.466 6.558 3.685 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.981 5.909 3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.304 7.053 4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.917 7.993 5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.579 8.227 5.917 1.00 0.00 H new ATOM 674 N ALA A 44 4.812 4.635 -1.524 1.00 0.00 N ATOM 675 CA ALA A 44 5.604 4.414 -2.742 1.00 0.00 C ATOM 676 C ALA A 44 4.795 4.776 -4.008 1.00 0.00 C ATOM 677 O ALA A 44 3.602 4.477 -4.087 1.00 0.00 O ATOM 678 CB ALA A 44 6.070 2.950 -2.801 1.00 0.00 C ATOM 0 H ALA A 44 4.945 3.897 -0.833 1.00 0.00 H new ATOM 0 HA ALA A 44 6.477 5.066 -2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.657 2.791 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.683 2.728 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.201 2.292 -2.812 1.00 0.00 H new ATOM 684 N ARG A 45 5.445 5.437 -4.986 1.00 0.00 N ATOM 685 CA ARG A 45 4.872 5.813 -6.286 1.00 0.00 C ATOM 686 C ARG A 45 4.380 4.567 -7.054 1.00 0.00 C ATOM 687 O ARG A 45 5.085 4.048 -7.920 1.00 0.00 O ATOM 688 CB ARG A 45 5.919 6.605 -7.099 1.00 0.00 C ATOM 689 CG ARG A 45 6.147 8.023 -6.550 1.00 0.00 C ATOM 690 CD ARG A 45 7.408 8.104 -5.678 1.00 0.00 C ATOM 691 NE ARG A 45 8.606 7.747 -6.452 1.00 0.00 N ATOM 692 CZ ARG A 45 9.816 7.446 -5.944 1.00 0.00 C ATOM 693 NH1 ARG A 45 10.040 7.456 -4.620 1.00 0.00 N ATOM 694 NH2 ARG A 45 10.818 7.129 -6.775 1.00 0.00 N ATOM 0 H ARG A 45 6.416 5.732 -4.886 1.00 0.00 H new ATOM 0 HA ARG A 45 4.003 6.451 -6.124 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.864 6.062 -7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.594 6.670 -8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.234 8.724 -7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.280 8.329 -5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.515 9.113 -5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.308 7.433 -4.825 1.00 0.00 H new ATOM 0 HE ARG A 45 8.512 7.725 -7.467 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.285 7.695 -3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.965 7.225 -4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.660 7.117 -7.783 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.738 6.899 -6.400 1.00 0.00 H new ATOM 708 N HIS A 46 3.167 4.078 -6.712 1.00 0.00 N ATOM 709 CA HIS A 46 2.667 2.743 -7.071 1.00 0.00 C ATOM 710 C HIS A 46 2.370 2.647 -8.585 1.00 0.00 C ATOM 711 O HIS A 46 1.824 3.582 -9.173 1.00 0.00 O ATOM 712 CB HIS A 46 1.426 2.359 -6.230 1.00 0.00 C ATOM 713 CG HIS A 46 0.553 3.505 -5.780 1.00 0.00 C ATOM 714 ND1 HIS A 46 0.216 4.554 -6.638 1.00 0.00 N ATOM 715 CD2 HIS A 46 -0.041 3.723 -4.562 1.00 0.00 C ATOM 716 CE1 HIS A 46 -0.567 5.355 -5.910 1.00 0.00 C ATOM 717 NE2 HIS A 46 -0.750 4.903 -4.659 1.00 0.00 N ATOM 0 H HIS A 46 2.496 4.618 -6.165 1.00 0.00 H new ATOM 0 HA HIS A 46 3.453 2.024 -6.840 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.815 1.670 -6.813 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.764 1.817 -5.347 1.00 0.00 H new ATOM 0 HD1 HIS A 46 0.505 4.681 -7.608 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.033 3.089 -3.690 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.005 6.267 -6.287 1.00 0.00 H new ATOM 725 N ALA A 47 2.751 1.515 -9.210 1.00 0.00 N ATOM 726 CA ALA A 47 2.355 1.106 -10.565 1.00 0.00 C ATOM 727 C ALA A 47 0.829 1.230 -10.763 1.00 0.00 C ATOM 728 O ALA A 47 0.070 1.161 -9.795 1.00 0.00 O ATOM 729 CB ALA A 47 2.818 -0.336 -10.831 1.00 0.00 C ATOM 0 H ALA A 47 3.368 0.836 -8.763 1.00 0.00 H new ATOM 0 HA ALA A 47 2.836 1.773 -11.280 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.522 -0.634 -11.837 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.903 -0.392 -10.741 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.358 -1.006 -10.104 1.00 0.00 H new ATOM 735 N LEU A 48 0.387 1.435 -12.018 1.00 0.00 N ATOM 736 CA LEU A 48 -0.959 1.899 -12.384 1.00 0.00 C ATOM 737 C LEU A 48 -2.035 0.900 -11.901 1.00 0.00 C ATOM 738 O LEU A 48 -1.730 -0.261 -11.624 1.00 0.00 O ATOM 739 CB LEU A 48 -1.059 2.078 -13.914 1.00 0.00 C ATOM 740 CG LEU A 48 -0.057 3.074 -14.536 1.00 0.00 C ATOM 741 CD1 LEU A 48 -0.097 2.942 -16.067 1.00 0.00 C ATOM 742 CD2 LEU A 48 -0.367 4.529 -14.150 1.00 0.00 C ATOM 0 H LEU A 48 0.981 1.276 -12.832 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.134 2.858 -11.897 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.917 1.106 -14.386 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.069 2.406 -14.158 1.00 0.00 H new ATOM 0 HG LEU A 48 0.933 2.831 -14.150 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.609 3.644 -16.511 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.174 1.925 -16.352 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.102 3.163 -16.425 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.365 5.192 -14.612 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.366 4.793 -14.498 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.321 4.636 -13.066 1.00 0.00 H new ATOM 754 N ARG A 49 -3.295 1.371 -11.794 1.00 0.00 N ATOM 755 CA ARG A 49 -4.511 0.562 -11.633 1.00 0.00 C ATOM 756 C ARG A 49 -4.523 -0.633 -12.610 1.00 0.00 C ATOM 757 O ARG A 49 -5.027 -1.707 -12.278 1.00 0.00 O ATOM 758 CB ARG A 49 -5.749 1.463 -11.832 1.00 0.00 C ATOM 759 CG ARG A 49 -7.068 0.748 -11.501 1.00 0.00 C ATOM 760 CD ARG A 49 -7.550 -0.117 -12.674 1.00 0.00 C ATOM 761 NE ARG A 49 -8.746 0.466 -13.300 1.00 0.00 N ATOM 762 CZ ARG A 49 -9.130 0.292 -14.578 1.00 0.00 C ATOM 763 NH1 ARG A 49 -8.345 -0.344 -15.462 1.00 0.00 N ATOM 764 NH2 ARG A 49 -10.321 0.760 -14.977 1.00 0.00 N ATOM 0 H ARG A 49 -3.496 2.371 -11.819 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.532 0.146 -10.626 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.653 2.348 -11.203 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.778 1.809 -12.865 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.932 0.123 -10.618 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.831 1.486 -11.255 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.755 -0.208 -13.414 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.774 -1.124 -12.321 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.337 1.055 -12.713 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.437 -0.707 -15.170 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.656 -0.465 -16.426 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.927 1.243 -14.314 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.621 0.633 -15.944 1.00 0.00 H new ATOM 778 N GLU A 50 -3.982 -0.431 -13.831 1.00 0.00 N ATOM 779 CA GLU A 50 -4.097 -1.337 -14.975 1.00 0.00 C ATOM 780 C GLU A 50 -3.313 -2.641 -14.754 1.00 0.00 C ATOM 781 O GLU A 50 -3.547 -3.639 -15.439 1.00 0.00 O ATOM 782 CB GLU A 50 -3.598 -0.614 -16.240 1.00 0.00 C ATOM 783 CG GLU A 50 -3.856 -1.441 -17.505 1.00 0.00 C ATOM 784 CD GLU A 50 -3.954 -0.612 -18.794 1.00 0.00 C ATOM 785 OE1 GLU A 50 -3.498 0.553 -18.786 1.00 0.00 O ATOM 786 OE2 GLU A 50 -4.492 -1.171 -19.776 1.00 0.00 O ATOM 0 H GLU A 50 -3.434 0.402 -14.046 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.145 -1.613 -15.094 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.097 0.351 -16.328 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.531 -0.414 -16.148 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.055 -2.171 -17.617 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.782 -2.001 -17.376 1.00 0.00 H new ATOM 793 N ASN A 51 -2.384 -2.642 -13.775 1.00 0.00 N ATOM 794 CA ASN A 51 -1.576 -3.790 -13.343 1.00 0.00 C ATOM 795 C ASN A 51 -2.080 -4.348 -11.993 1.00 0.00 C ATOM 796 O ASN A 51 -1.802 -5.499 -11.655 1.00 0.00 O ATOM 797 CB ASN A 51 -0.098 -3.368 -13.221 1.00 0.00 C ATOM 798 CG ASN A 51 0.648 -3.325 -14.567 1.00 0.00 C ATOM 799 OD1 ASN A 51 0.469 -4.183 -15.426 1.00 0.00 O ATOM 800 ND2 ASN A 51 1.483 -2.292 -14.740 1.00 0.00 N ATOM 0 H ASN A 51 -2.171 -1.799 -13.242 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.669 -4.578 -14.090 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.048 -2.383 -12.757 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.414 -4.061 -12.554 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.001 -2.196 -15.613 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.601 -1.602 -13.998 1.00 0.00 H new ATOM 807 N VAL A 52 -2.807 -3.520 -11.219 1.00 0.00 N ATOM 808 CA VAL A 52 -3.272 -3.804 -9.853 1.00 0.00 C ATOM 809 C VAL A 52 -4.721 -4.334 -9.884 1.00 0.00 C ATOM 810 O VAL A 52 -5.520 -3.905 -10.720 1.00 0.00 O ATOM 811 CB VAL A 52 -3.156 -2.529 -8.976 1.00 0.00 C ATOM 812 CG1 VAL A 52 -4.536 -1.938 -8.633 1.00 0.00 C ATOM 813 CG2 VAL A 52 -2.415 -2.789 -7.652 1.00 0.00 C ATOM 0 H VAL A 52 -3.097 -2.598 -11.544 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.642 -4.576 -9.412 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.586 -1.822 -9.579 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.408 -1.047 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.057 -1.672 -9.553 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.122 -2.676 -8.085 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.362 -1.864 -7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.952 -3.544 -7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.406 -3.143 -7.863 1.00 0.00 H new ATOM 823 N SER A 53 -5.062 -5.265 -8.971 1.00 0.00 N ATOM 824 CA SER A 53 -6.425 -5.750 -8.716 1.00 0.00 C ATOM 825 C SER A 53 -6.697 -5.934 -7.205 1.00 0.00 C ATOM 826 O SER A 53 -5.761 -6.079 -6.419 1.00 0.00 O ATOM 827 CB SER A 53 -6.664 -7.068 -9.477 1.00 0.00 C ATOM 828 OG SER A 53 -6.298 -8.190 -8.696 1.00 0.00 O ATOM 0 H SER A 53 -4.369 -5.713 -8.372 1.00 0.00 H new ATOM 0 HA SER A 53 -7.124 -4.996 -9.078 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.715 -7.144 -9.755 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.089 -7.064 -10.403 1.00 0.00 H new ATOM 0 HG SER A 53 -6.463 -9.011 -9.205 1.00 0.00 H new ATOM 834 N PHE A 54 -7.990 -5.899 -6.819 1.00 0.00 N ATOM 835 CA PHE A 54 -8.469 -5.656 -5.450 1.00 0.00 C ATOM 836 C PHE A 54 -9.135 -6.907 -4.830 1.00 0.00 C ATOM 837 O PHE A 54 -9.982 -7.557 -5.443 1.00 0.00 O ATOM 838 CB PHE A 54 -9.464 -4.477 -5.448 1.00 0.00 C ATOM 839 CG PHE A 54 -8.945 -3.201 -6.099 1.00 0.00 C ATOM 840 CD1 PHE A 54 -9.067 -3.015 -7.496 1.00 0.00 C ATOM 841 CD2 PHE A 54 -8.312 -2.212 -5.315 1.00 0.00 C ATOM 842 CE1 PHE A 54 -8.459 -1.904 -8.118 1.00 0.00 C ATOM 843 CE2 PHE A 54 -7.713 -1.093 -5.935 1.00 0.00 C ATOM 844 CZ PHE A 54 -7.780 -0.944 -7.336 1.00 0.00 C ATOM 0 H PHE A 54 -8.753 -6.045 -7.479 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.601 -5.413 -4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.373 -4.787 -5.963 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.741 -4.255 -4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -9.626 -3.725 -8.087 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.286 -2.311 -4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.513 -1.788 -9.190 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.204 -0.352 -5.337 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.312 -0.095 -7.811 1.00 0.00 H new ATOM 854 N TYR A 55 -8.749 -7.231 -3.582 1.00 0.00 N ATOM 855 CA TYR A 55 -9.304 -8.242 -2.675 1.00 0.00 C ATOM 856 C TYR A 55 -10.091 -7.588 -1.514 1.00 0.00 C ATOM 857 O TYR A 55 -10.163 -6.366 -1.397 1.00 0.00 O ATOM 858 CB TYR A 55 -8.152 -9.097 -2.093 1.00 0.00 C ATOM 859 CG TYR A 55 -7.129 -9.564 -3.122 1.00 0.00 C ATOM 860 CD1 TYR A 55 -7.565 -10.363 -4.210 1.00 0.00 C ATOM 861 CD2 TYR A 55 -5.766 -9.201 -3.036 1.00 0.00 C ATOM 862 CE1 TYR A 55 -6.664 -10.725 -5.233 1.00 0.00 C ATOM 863 CE2 TYR A 55 -4.865 -9.564 -4.057 1.00 0.00 C ATOM 864 CZ TYR A 55 -5.309 -10.338 -5.156 1.00 0.00 C ATOM 865 OH TYR A 55 -4.433 -10.706 -6.134 1.00 0.00 O ATOM 0 H TYR A 55 -7.967 -6.743 -3.146 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.991 -8.868 -3.244 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.638 -8.518 -1.326 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.578 -9.971 -1.601 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.592 -10.696 -4.255 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.413 -8.642 -2.182 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.012 -11.300 -6.078 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.833 -9.251 -4.001 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.910 -10.788 -6.986 1.00 0.00 H new ATOM 875 N ALA A 56 -10.666 -8.451 -0.640 1.00 0.00 N ATOM 876 CA ALA A 56 -11.239 -8.101 0.665 1.00 0.00 C ATOM 877 C ALA A 56 -10.144 -7.979 1.748 1.00 0.00 C ATOM 878 O ALA A 56 -10.241 -7.128 2.635 1.00 0.00 O ATOM 879 CB ALA A 56 -12.282 -9.154 1.074 1.00 0.00 C ATOM 0 H ALA A 56 -10.742 -9.448 -0.842 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.724 -7.129 0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.705 -8.890 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.077 -9.188 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.805 -10.132 1.140 1.00 0.00 H new ATOM 885 N ASN A 57 -9.112 -8.843 1.685 1.00 0.00 N ATOM 886 CA ASN A 57 -8.014 -8.930 2.658 1.00 0.00 C ATOM 887 C ASN A 57 -6.793 -9.669 2.064 1.00 0.00 C ATOM 888 O ASN A 57 -6.821 -10.110 0.915 1.00 0.00 O ATOM 889 CB ASN A 57 -8.497 -9.659 3.930 1.00 0.00 C ATOM 890 CG ASN A 57 -8.826 -11.138 3.694 1.00 0.00 C ATOM 891 OD1 ASN A 57 -7.927 -11.971 3.595 1.00 0.00 O ATOM 892 ND2 ASN A 57 -10.116 -11.471 3.608 1.00 0.00 N ATOM 0 H ASN A 57 -9.020 -9.521 0.928 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.706 -7.915 2.911 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.727 -9.583 4.698 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.383 -9.154 4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.383 -12.444 3.455 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.835 -10.753 3.695 1.00 0.00 H new ATOM 899 N ALA A 58 -5.723 -9.805 2.877 1.00 0.00 N ATOM 900 CA ALA A 58 -4.400 -10.308 2.485 1.00 0.00 C ATOM 901 C ALA A 58 -4.435 -11.822 2.188 1.00 0.00 C ATOM 902 O ALA A 58 -3.679 -12.303 1.341 1.00 0.00 O ATOM 903 CB ALA A 58 -3.383 -10.002 3.598 1.00 0.00 C ATOM 0 H ALA A 58 -5.765 -9.555 3.865 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.098 -9.803 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.401 -10.376 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.329 -8.925 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.697 -10.489 4.521 1.00 0.00 H new ATOM 909 N SER A 59 -5.298 -12.574 2.897 1.00 0.00 N ATOM 910 CA SER A 59 -5.468 -14.030 2.775 1.00 0.00 C ATOM 911 C SER A 59 -6.042 -14.417 1.395 1.00 0.00 C ATOM 912 O SER A 59 -5.731 -15.488 0.870 1.00 0.00 O ATOM 913 CB SER A 59 -6.352 -14.565 3.918 1.00 0.00 C ATOM 914 OG SER A 59 -6.014 -15.896 4.259 1.00 0.00 O ATOM 0 H SER A 59 -5.918 -12.166 3.596 1.00 0.00 H new ATOM 0 HA SER A 59 -4.485 -14.494 2.857 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.242 -13.925 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.400 -14.520 3.620 1.00 0.00 H new ATOM 0 HG SER A 59 -6.592 -16.204 4.988 1.00 0.00 H new ATOM 920 N GLU A 60 -6.877 -13.536 0.813 1.00 0.00 N ATOM 921 CA GLU A 60 -7.385 -13.604 -0.569 1.00 0.00 C ATOM 922 C GLU A 60 -6.232 -13.366 -1.569 1.00 0.00 C ATOM 923 O GLU A 60 -6.064 -14.100 -2.542 1.00 0.00 O ATOM 924 CB GLU A 60 -8.518 -12.574 -0.770 1.00 0.00 C ATOM 925 CG GLU A 60 -9.835 -13.224 -1.234 1.00 0.00 C ATOM 926 CD GLU A 60 -10.593 -12.417 -2.295 1.00 0.00 C ATOM 927 OE1 GLU A 60 -11.430 -11.570 -1.911 1.00 0.00 O ATOM 928 OE2 GLU A 60 -10.311 -12.664 -3.488 1.00 0.00 O ATOM 0 H GLU A 60 -7.231 -12.722 1.316 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.794 -14.597 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.690 -12.042 0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.204 -11.833 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.618 -14.215 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.483 -13.364 -0.369 1.00 0.00 H new ATOM 935 N ALA A 61 -5.416 -12.320 -1.290 1.00 0.00 N ATOM 936 CA ALA A 61 -4.205 -11.966 -2.040 1.00 0.00 C ATOM 937 C ALA A 61 -3.117 -13.053 -1.876 1.00 0.00 C ATOM 938 O ALA A 61 -2.262 -13.217 -2.747 1.00 0.00 O ATOM 939 CB ALA A 61 -3.680 -10.598 -1.573 1.00 0.00 C ATOM 0 H ALA A 61 -5.596 -11.686 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.458 -11.903 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.781 -10.342 -2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.443 -9.838 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.443 -10.643 -0.510 1.00 0.00 H new ATOM 945 N LEU A 62 -3.173 -13.805 -0.763 1.00 0.00 N ATOM 946 CA LEU A 62 -2.423 -15.048 -0.494 1.00 0.00 C ATOM 947 C LEU A 62 -2.923 -16.187 -1.408 1.00 0.00 C ATOM 948 O LEU A 62 -2.132 -16.977 -1.923 1.00 0.00 O ATOM 949 CB LEU A 62 -2.588 -15.439 0.993 1.00 0.00 C ATOM 950 CG LEU A 62 -1.454 -15.012 1.949 1.00 0.00 C ATOM 951 CD1 LEU A 62 -1.794 -15.478 3.374 1.00 0.00 C ATOM 952 CD2 LEU A 62 -0.093 -15.597 1.541 1.00 0.00 C ATOM 0 H LEU A 62 -3.777 -13.549 0.018 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.367 -14.880 -0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.521 -15.009 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.693 -16.522 1.051 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.375 -13.926 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.997 -15.179 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.732 -15.022 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.895 -16.563 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.671 -15.267 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.148 -16.686 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.165 -15.254 0.539 1.00 0.00 H new ATOM 964 N ALA A 63 -4.257 -16.248 -1.616 1.00 0.00 N ATOM 965 CA ALA A 63 -4.952 -17.170 -2.525 1.00 0.00 C ATOM 966 C ALA A 63 -4.537 -16.935 -3.994 1.00 0.00 C ATOM 967 O ALA A 63 -4.583 -17.863 -4.806 1.00 0.00 O ATOM 968 CB ALA A 63 -6.474 -17.015 -2.367 1.00 0.00 C ATOM 0 H ALA A 63 -4.903 -15.625 -1.130 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.665 -18.188 -2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.982 -17.702 -3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.758 -17.242 -1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.762 -15.991 -2.605 1.00 0.00 H new ATOM 974 N ALA A 64 -4.146 -15.694 -4.339 1.00 0.00 N ATOM 975 CA ALA A 64 -3.539 -15.318 -5.625 1.00 0.00 C ATOM 976 C ALA A 64 -2.028 -15.636 -5.655 1.00 0.00 C ATOM 977 O ALA A 64 -1.399 -15.578 -6.712 1.00 0.00 O ATOM 978 CB ALA A 64 -3.779 -13.825 -5.897 1.00 0.00 C ATOM 0 H ALA A 64 -4.248 -14.900 -3.707 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.013 -15.908 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.327 -13.552 -6.851 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.851 -13.630 -5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.329 -13.233 -5.100 1.00 0.00 H new ATOM 984 N GLY A 65 -1.451 -15.968 -4.483 1.00 0.00 N ATOM 985 CA GLY A 65 -0.073 -16.445 -4.312 1.00 0.00 C ATOM 986 C GLY A 65 0.955 -15.297 -4.403 1.00 0.00 C ATOM 987 O GLY A 65 1.983 -15.434 -5.069 1.00 0.00 O ATOM 0 H GLY A 65 -1.955 -15.907 -3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.021 -16.940 -3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.149 -17.191 -5.075 1.00 0.00 H new ATOM 991 N PHE A 66 0.670 -14.160 -3.737 1.00 0.00 N ATOM 992 CA PHE A 66 1.521 -12.963 -3.680 1.00 0.00 C ATOM 993 C PHE A 66 2.205 -12.836 -2.300 1.00 0.00 C ATOM 994 O PHE A 66 1.890 -13.593 -1.379 1.00 0.00 O ATOM 995 CB PHE A 66 0.682 -11.702 -3.976 1.00 0.00 C ATOM 996 CG PHE A 66 0.079 -11.614 -5.373 1.00 0.00 C ATOM 997 CD1 PHE A 66 -0.362 -12.785 -6.031 1.00 0.00 C ATOM 998 CD2 PHE A 66 -0.037 -10.363 -6.024 1.00 0.00 C ATOM 999 CE1 PHE A 66 -0.860 -12.712 -7.350 1.00 0.00 C ATOM 1000 CE2 PHE A 66 -0.556 -10.289 -7.334 1.00 0.00 C ATOM 1001 CZ PHE A 66 -0.980 -11.463 -7.992 1.00 0.00 C ATOM 0 H PHE A 66 -0.193 -14.050 -3.205 1.00 0.00 H new ATOM 0 HA PHE A 66 2.299 -13.060 -4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.128 -11.649 -3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.311 -10.826 -3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.318 -13.737 -5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.273 -9.462 -5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.149 -13.614 -7.868 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.629 -9.334 -7.833 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.396 -11.405 -8.987 1.00 0.00 H new ATOM 1011 N ARG A 67 3.154 -11.888 -2.164 1.00 0.00 N ATOM 1012 CA ARG A 67 3.987 -11.669 -0.973 1.00 0.00 C ATOM 1013 C ARG A 67 3.752 -10.260 -0.370 1.00 0.00 C ATOM 1014 O ARG A 67 3.457 -9.329 -1.123 1.00 0.00 O ATOM 1015 CB ARG A 67 5.474 -11.855 -1.351 1.00 0.00 C ATOM 1016 CG ARG A 67 6.260 -12.599 -0.267 1.00 0.00 C ATOM 1017 CD ARG A 67 5.804 -14.047 -0.049 1.00 0.00 C ATOM 1018 NE ARG A 67 6.707 -14.958 -0.768 1.00 0.00 N ATOM 1019 CZ ARG A 67 7.800 -15.558 -0.270 1.00 0.00 C ATOM 1020 NH1 ARG A 67 8.182 -15.371 1.003 1.00 0.00 N ATOM 1021 NH2 ARG A 67 8.520 -16.357 -1.070 1.00 0.00 N ATOM 0 H ARG A 67 3.367 -11.229 -2.913 1.00 0.00 H new ATOM 0 HA ARG A 67 3.709 -12.399 -0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.542 -12.406 -2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.928 -10.879 -1.521 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.317 -12.598 -0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.168 -12.054 0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.803 -14.283 1.015 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.782 -14.175 -0.405 1.00 0.00 H new ATOM 0 HE ARG A 67 6.480 -15.154 -1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.638 -14.762 1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.016 -15.838 1.359 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.234 -16.500 -2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.354 -16.822 -0.710 1.00 0.00 H new ATOM 1035 N PRO A 68 3.834 -10.079 0.969 1.00 0.00 N ATOM 1036 CA PRO A 68 3.401 -8.869 1.692 1.00 0.00 C ATOM 1037 C PRO A 68 4.394 -7.687 1.639 1.00 0.00 C ATOM 1038 O PRO A 68 5.458 -7.742 2.260 1.00 0.00 O ATOM 1039 CB PRO A 68 3.136 -9.316 3.140 1.00 0.00 C ATOM 1040 CG PRO A 68 3.417 -10.819 3.176 1.00 0.00 C ATOM 1041 CD PRO A 68 4.302 -11.050 1.959 1.00 0.00 C ATOM 0 HA PRO A 68 2.512 -8.466 1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.781 -8.782 3.837 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.107 -9.104 3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.920 -11.110 4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.497 -11.400 3.118 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.354 -10.895 2.199 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.207 -12.071 1.588 1.00 0.00 H new ATOM 1049 N CYS A 69 4.042 -6.619 0.898 1.00 0.00 N ATOM 1050 CA CYS A 69 4.850 -5.411 0.663 1.00 0.00 C ATOM 1051 C CYS A 69 5.543 -4.952 1.964 1.00 0.00 C ATOM 1052 O CYS A 69 5.026 -5.200 3.058 1.00 0.00 O ATOM 1053 CB CYS A 69 3.933 -4.325 0.058 1.00 0.00 C ATOM 1054 SG CYS A 69 4.723 -2.686 -0.094 1.00 0.00 S ATOM 0 H CYS A 69 3.140 -6.575 0.424 1.00 0.00 H new ATOM 0 HA CYS A 69 5.653 -5.619 -0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.603 -4.651 -0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.041 -4.231 0.677 1.00 0.00 H new ATOM 0 HG CYS A 69 3.943 -1.779 0.415 1.00 0.00 H new ATOM 1059 N LYS A 70 6.718 -4.301 1.858 1.00 0.00 N ATOM 1060 CA LYS A 70 7.635 -4.016 2.971 1.00 0.00 C ATOM 1061 C LYS A 70 7.162 -2.789 3.782 1.00 0.00 C ATOM 1062 O LYS A 70 7.877 -2.331 4.679 1.00 0.00 O ATOM 1063 CB LYS A 70 9.065 -3.813 2.424 1.00 0.00 C ATOM 1064 CG LYS A 70 10.142 -4.361 3.377 1.00 0.00 C ATOM 1065 CD LYS A 70 11.230 -5.155 2.640 1.00 0.00 C ATOM 1066 CE LYS A 70 12.354 -5.532 3.617 1.00 0.00 C ATOM 1067 NZ LYS A 70 13.221 -4.383 3.931 1.00 0.00 N ATOM 0 H LYS A 70 7.063 -3.949 0.965 1.00 0.00 H new ATOM 0 HA LYS A 70 7.640 -4.867 3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.154 -4.307 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.239 -2.750 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.603 -3.532 3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.671 -5.002 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.801 -6.056 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.633 -4.561 1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.919 -5.920 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.955 -6.333 3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.050 -4.710 4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.536 -3.934 3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.690 -3.693 4.500 1.00 0.00 H new ATOM 1081 N ARG A 71 5.973 -2.246 3.462 1.00 0.00 N ATOM 1082 CA ARG A 71 5.477 -0.922 3.873 1.00 0.00 C ATOM 1083 C ARG A 71 4.055 -1.026 4.466 1.00 0.00 C ATOM 1084 O ARG A 71 3.769 -0.444 5.513 1.00 0.00 O ATOM 1085 CB ARG A 71 5.510 0.022 2.652 1.00 0.00 C ATOM 1086 CG ARG A 71 5.983 1.441 2.996 1.00 0.00 C ATOM 1087 CD ARG A 71 6.816 2.048 1.856 1.00 0.00 C ATOM 1088 NE ARG A 71 7.871 1.118 1.429 1.00 0.00 N ATOM 1089 CZ ARG A 71 8.062 0.642 0.186 1.00 0.00 C ATOM 1090 NH1 ARG A 71 7.361 1.105 -0.861 1.00 0.00 N ATOM 1091 NH2 ARG A 71 8.972 -0.324 -0.014 1.00 0.00 N ATOM 0 H ARG A 71 5.299 -2.745 2.881 1.00 0.00 H new ATOM 0 HA ARG A 71 6.119 -0.517 4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.169 -0.399 1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.513 0.075 2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.119 2.076 3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.577 1.416 3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.168 2.283 1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.263 2.986 2.186 1.00 0.00 H new ATOM 0 HE ARG A 71 8.523 0.802 2.147 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.663 1.836 -0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.526 0.726 -1.793 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.510 -0.689 0.772 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.126 -0.693 -0.952 1.00 0.00 H new ATOM 1105 N CYS A 72 3.162 -1.766 3.775 1.00 0.00 N ATOM 1106 CA CYS A 72 1.707 -1.779 3.976 1.00 0.00 C ATOM 1107 C CYS A 72 1.259 -3.052 4.726 1.00 0.00 C ATOM 1108 O CYS A 72 0.753 -2.964 5.847 1.00 0.00 O ATOM 1109 CB CYS A 72 1.007 -1.635 2.606 1.00 0.00 C ATOM 1110 SG CYS A 72 1.864 -0.425 1.552 1.00 0.00 S ATOM 0 H CYS A 72 3.454 -2.397 3.029 1.00 0.00 H new ATOM 0 HA CYS A 72 1.418 -0.936 4.604 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.980 -2.603 2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.027 -1.324 2.754 1.00 0.00 H new ATOM 0 HG CYS A 72 1.809 -0.813 0.313 1.00 0.00 H new ATOM 1115 N GLN A 73 1.426 -4.232 4.100 1.00 0.00 N ATOM 1116 CA GLN A 73 0.791 -5.499 4.492 1.00 0.00 C ATOM 1117 C GLN A 73 1.191 -5.881 5.940 1.00 0.00 C ATOM 1118 O GLN A 73 0.299 -6.113 6.761 1.00 0.00 O ATOM 1119 CB GLN A 73 1.235 -6.580 3.484 1.00 0.00 C ATOM 1120 CG GLN A 73 0.068 -7.321 2.801 1.00 0.00 C ATOM 1121 CD GLN A 73 -1.195 -7.463 3.663 1.00 0.00 C ATOM 1122 OE1 GLN A 73 -1.158 -8.143 4.685 1.00 0.00 O ATOM 1123 NE2 GLN A 73 -2.312 -6.834 3.277 1.00 0.00 N ATOM 0 H GLN A 73 2.026 -4.330 3.281 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.295 -5.404 4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.854 -6.114 2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.861 -7.308 4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.192 -6.793 1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.407 -8.316 2.511 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.314 -6.276 2.423 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.161 -6.913 3.837 1.00 0.00 H new