USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -3:sc= 0.854! USER MOD Single : A 25 HIS : no HD1:sc= -2.53! K(o=-2.5!,f=-1.1) USER MOD Single : A 28 HIS : no HD1:sc= -3.89! C(o=-3.9!,f=-5.1!) USER MOD Single : A 37 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0075) USER MOD Single : A 41 LYS NZ :NH3+ -167:sc=-0.00272 (180deg=-0.0888) USER MOD Single : A 43 MET CE :methyl 151:sc=-0.00167 (180deg=-0.123) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0719 K(o=-0.072,f=-0.75) USER MOD Single : A 62 CYS SG : rot -115:sc= -0.405 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0428 K(o=-0.043,f=-0.69) USER MOD Single : A 78 HIS : no HE2:sc= -2.64 X(o=-2.6,f=-2.7!) USER MOD Single : A 81 ASN : amide:sc= -1.5! C(o=-1.5!,f=-2.2!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N GLY A 11 -15.516 -7.059 4.594 1.00 0.00 N ATOM 126 CA GLY A 11 -15.288 -8.432 4.183 1.00 0.00 C ATOM 127 C GLY A 11 -14.807 -9.306 5.325 1.00 0.00 C ATOM 128 O GLY A 11 -14.868 -8.908 6.487 1.00 0.00 O ATOM 0 HA2 GLY A 11 -16.212 -8.845 3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.551 -8.450 3.380 1.00 0.00 H new ATOM 132 N GLU A 12 -14.331 -10.502 4.993 1.00 0.00 N ATOM 133 CA GLU A 12 -13.841 -11.435 6.001 1.00 0.00 C ATOM 134 C GLU A 12 -12.329 -11.612 5.889 1.00 0.00 C ATOM 135 O GLU A 12 -11.763 -11.543 4.798 1.00 0.00 O ATOM 136 CB GLU A 12 -14.536 -12.790 5.854 1.00 0.00 C ATOM 137 CG GLU A 12 -15.863 -12.877 6.590 1.00 0.00 C ATOM 138 CD GLU A 12 -16.308 -14.307 6.823 1.00 0.00 C ATOM 139 OE1 GLU A 12 -15.840 -14.921 7.805 1.00 0.00 O ATOM 140 OE2 GLU A 12 -17.124 -14.813 6.025 1.00 0.00 O ATOM 0 H GLU A 12 -14.274 -10.847 4.035 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.070 -11.022 6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.703 -12.990 4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.873 -13.571 6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.776 -12.367 7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.627 -12.351 6.017 1.00 0.00 H new ATOM 147 N LEU A 13 -11.681 -11.841 7.026 1.00 0.00 N ATOM 148 CA LEU A 13 -10.235 -12.028 7.058 1.00 0.00 C ATOM 149 C LEU A 13 -9.794 -13.043 6.009 1.00 0.00 C ATOM 150 O LEU A 13 -9.023 -12.721 5.106 1.00 0.00 O ATOM 151 CB LEU A 13 -9.791 -12.487 8.448 1.00 0.00 C ATOM 152 CG LEU A 13 -9.633 -11.388 9.500 1.00 0.00 C ATOM 153 CD1 LEU A 13 -9.530 -11.992 10.892 1.00 0.00 C ATOM 154 CD2 LEU A 13 -8.412 -10.531 9.197 1.00 0.00 C ATOM 0 H LEU A 13 -12.134 -11.902 7.938 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.764 -11.071 6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.515 -13.214 8.817 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.838 -13.007 8.350 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.517 -10.751 9.467 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.418 -11.195 11.627 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.434 -12.562 11.109 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.664 -12.653 10.939 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.315 -9.754 9.956 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.519 -11.156 9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.526 -10.068 8.217 1.00 0.00 H new ATOM 166 N GLU A 14 -10.290 -14.270 6.135 1.00 0.00 N ATOM 167 CA GLU A 14 -9.947 -15.332 5.197 1.00 0.00 C ATOM 168 C GLU A 14 -10.209 -14.893 3.759 1.00 0.00 C ATOM 169 O GLU A 14 -9.371 -15.086 2.879 1.00 0.00 O ATOM 170 CB GLU A 14 -10.749 -16.597 5.509 1.00 0.00 C ATOM 171 CG GLU A 14 -10.542 -17.116 6.922 1.00 0.00 C ATOM 172 CD GLU A 14 -11.671 -18.016 7.384 1.00 0.00 C ATOM 173 OE1 GLU A 14 -12.778 -17.497 7.638 1.00 0.00 O ATOM 174 OE2 GLU A 14 -11.447 -19.240 7.493 1.00 0.00 O ATOM 0 H GLU A 14 -10.930 -14.553 6.877 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.884 -15.548 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.809 -16.392 5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.471 -17.377 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.602 -17.666 6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.452 -16.272 7.606 1.00 0.00 H new ATOM 181 N GLN A 15 -11.377 -14.302 3.530 1.00 0.00 N ATOM 182 CA GLN A 15 -11.749 -13.836 2.200 1.00 0.00 C ATOM 183 C GLN A 15 -10.643 -12.980 1.593 1.00 0.00 C ATOM 184 O GLN A 15 -10.313 -13.119 0.415 1.00 0.00 O ATOM 185 CB GLN A 15 -13.052 -13.037 2.262 1.00 0.00 C ATOM 186 CG GLN A 15 -14.291 -13.905 2.415 1.00 0.00 C ATOM 187 CD GLN A 15 -14.715 -14.551 1.111 1.00 0.00 C ATOM 188 OE1 GLN A 15 -14.412 -15.717 0.855 1.00 0.00 O ATOM 189 NE2 GLN A 15 -15.421 -13.796 0.277 1.00 0.00 N ATOM 0 H GLN A 15 -12.082 -14.135 4.248 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.896 -14.710 1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.001 -12.340 3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.146 -12.440 1.355 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.097 -14.682 3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.111 -13.297 2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.650 -12.835 0.529 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.734 -14.178 -0.616 1.00 0.00 H new ATOM 198 N MET A 16 -10.074 -12.095 2.404 1.00 0.00 N ATOM 199 CA MET A 16 -9.003 -11.216 1.947 1.00 0.00 C ATOM 200 C MET A 16 -7.943 -12.004 1.184 1.00 0.00 C ATOM 201 O MET A 16 -7.847 -13.224 1.317 1.00 0.00 O ATOM 202 CB MET A 16 -8.364 -10.495 3.134 1.00 0.00 C ATOM 203 CG MET A 16 -9.375 -9.853 4.071 1.00 0.00 C ATOM 204 SD MET A 16 -8.657 -8.535 5.070 1.00 0.00 S ATOM 205 CE MET A 16 -10.127 -7.626 5.539 1.00 0.00 C ATOM 0 H MET A 16 -10.336 -11.967 3.381 1.00 0.00 H new ATOM 0 HA MET A 16 -9.436 -10.476 1.274 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.759 -11.205 3.697 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.688 -9.726 2.760 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.202 -9.451 3.486 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.791 -10.616 4.728 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.846 -6.777 6.162 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.634 -7.267 4.643 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.797 -8.280 6.097 1.00 0.00 H new ATOM 215 N VAL A 17 -7.148 -11.298 0.386 1.00 0.00 N ATOM 216 CA VAL A 17 -6.093 -11.932 -0.397 1.00 0.00 C ATOM 217 C VAL A 17 -4.804 -11.120 -0.341 1.00 0.00 C ATOM 218 O VAL A 17 -4.828 -9.892 -0.413 1.00 0.00 O ATOM 219 CB VAL A 17 -6.514 -12.106 -1.868 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.699 -13.053 -1.977 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.841 -10.757 -2.491 1.00 0.00 C ATOM 0 H VAL A 17 -7.214 -10.287 0.265 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.919 -12.914 0.042 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.680 -12.542 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.982 -13.163 -3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.425 -14.027 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.541 -12.649 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.137 -10.898 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.659 -10.291 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.962 -10.114 -2.448 1.00 0.00 H new ATOM 231 N SER A 18 -3.679 -11.815 -0.211 1.00 0.00 N ATOM 232 CA SER A 18 -2.378 -11.159 -0.142 1.00 0.00 C ATOM 233 C SER A 18 -1.791 -10.968 -1.537 1.00 0.00 C ATOM 234 O SER A 18 -1.598 -11.931 -2.277 1.00 0.00 O ATOM 235 CB SER A 18 -1.416 -11.977 0.721 1.00 0.00 C ATOM 236 OG SER A 18 -0.826 -13.026 -0.027 1.00 0.00 O ATOM 0 H SER A 18 -3.642 -12.833 -0.151 1.00 0.00 H new ATOM 0 HA SER A 18 -2.517 -10.178 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.637 -11.327 1.119 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.952 -12.392 1.575 1.00 0.00 H new ATOM 0 HG SER A 18 -1.202 -13.034 -0.932 1.00 0.00 H new ATOM 242 N GLU A 19 -1.510 -9.717 -1.888 1.00 0.00 N ATOM 243 CA GLU A 19 -0.946 -9.399 -3.194 1.00 0.00 C ATOM 244 C GLU A 19 0.429 -8.752 -3.050 1.00 0.00 C ATOM 245 O GLU A 19 0.754 -8.185 -2.007 1.00 0.00 O ATOM 246 CB GLU A 19 -1.882 -8.467 -3.966 1.00 0.00 C ATOM 247 CG GLU A 19 -2.903 -9.200 -4.820 1.00 0.00 C ATOM 248 CD GLU A 19 -2.318 -9.698 -6.128 1.00 0.00 C ATOM 249 OE1 GLU A 19 -1.076 -9.742 -6.245 1.00 0.00 O ATOM 250 OE2 GLU A 19 -3.105 -10.044 -7.034 1.00 0.00 O ATOM 0 H GLU A 19 -1.664 -8.908 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.834 -10.330 -3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.407 -7.825 -3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.286 -7.816 -4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.301 -10.045 -4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.740 -8.535 -5.030 1.00 0.00 H new ATOM 257 N ASP A 20 1.231 -8.841 -4.105 1.00 0.00 N ATOM 258 CA ASP A 20 2.571 -8.264 -4.098 1.00 0.00 C ATOM 259 C ASP A 20 2.632 -7.021 -4.980 1.00 0.00 C ATOM 260 O ASP A 20 2.372 -7.085 -6.181 1.00 0.00 O ATOM 261 CB ASP A 20 3.595 -9.294 -4.576 1.00 0.00 C ATOM 262 CG ASP A 20 3.954 -10.297 -3.497 1.00 0.00 C ATOM 263 OD1 ASP A 20 4.810 -9.973 -2.647 1.00 0.00 O ATOM 264 OD2 ASP A 20 3.380 -11.407 -3.503 1.00 0.00 O ATOM 0 H ASP A 20 0.977 -9.307 -4.976 1.00 0.00 H new ATOM 0 HA ASP A 20 2.809 -7.974 -3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.197 -9.823 -5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.498 -8.779 -4.904 1.00 0.00 H new ATOM 269 N VAL A 21 2.976 -5.888 -4.374 1.00 0.00 N ATOM 270 CA VAL A 21 3.071 -4.630 -5.104 1.00 0.00 C ATOM 271 C VAL A 21 4.506 -4.113 -5.123 1.00 0.00 C ATOM 272 O VAL A 21 5.113 -3.855 -4.084 1.00 0.00 O ATOM 273 CB VAL A 21 2.158 -3.554 -4.488 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.850 -2.467 -5.508 1.00 0.00 C ATOM 275 CG2 VAL A 21 0.876 -4.181 -3.962 1.00 0.00 C ATOM 0 H VAL A 21 3.193 -5.816 -3.380 1.00 0.00 H new ATOM 0 HA VAL A 21 2.746 -4.831 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 21 2.682 -3.095 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.204 -1.715 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.779 -1.999 -5.832 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.346 -2.908 -6.368 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.243 -3.406 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.346 -4.668 -4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.119 -4.919 -3.197 1.00 0.00 H new ATOM 285 N PRO A 22 5.062 -3.957 -6.334 1.00 0.00 N ATOM 286 CA PRO A 22 6.432 -3.468 -6.518 1.00 0.00 C ATOM 287 C PRO A 22 6.575 -1.994 -6.154 1.00 0.00 C ATOM 288 O PRO A 22 6.179 -1.114 -6.918 1.00 0.00 O ATOM 289 CB PRO A 22 6.684 -3.676 -8.014 1.00 0.00 C ATOM 290 CG PRO A 22 5.330 -3.650 -8.634 1.00 0.00 C ATOM 291 CD PRO A 22 4.396 -4.244 -7.615 1.00 0.00 C ATOM 0 HA PRO A 22 7.141 -3.990 -5.875 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.321 -2.891 -8.421 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.187 -4.624 -8.202 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.036 -2.631 -8.886 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.314 -4.225 -9.560 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.406 -3.790 -7.664 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.263 -5.315 -7.768 1.00 0.00 H new ATOM 299 N LEU A 23 7.144 -1.732 -4.982 1.00 0.00 N ATOM 300 CA LEU A 23 7.341 -0.364 -4.516 1.00 0.00 C ATOM 301 C LEU A 23 8.823 -0.067 -4.310 1.00 0.00 C ATOM 302 O LEU A 23 9.473 -0.666 -3.453 1.00 0.00 O ATOM 303 CB LEU A 23 6.577 -0.134 -3.211 1.00 0.00 C ATOM 304 CG LEU A 23 6.421 1.323 -2.773 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.553 2.087 -3.761 1.00 0.00 C ATOM 306 CD2 LEU A 23 5.830 1.398 -1.372 1.00 0.00 C ATOM 0 H LEU A 23 7.477 -2.449 -4.337 1.00 0.00 H new ATOM 0 HA LEU A 23 6.956 0.313 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.583 -0.570 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.084 -0.679 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 23 7.408 1.785 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.453 3.122 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.016 2.062 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.567 1.626 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.726 2.442 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.851 0.919 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.490 0.886 -0.671 1.00 0.00 H new ATOM 318 N ASP A 24 9.350 0.862 -5.100 1.00 0.00 N ATOM 319 CA ASP A 24 10.755 1.242 -5.002 1.00 0.00 C ATOM 320 C ASP A 24 11.130 1.567 -3.560 1.00 0.00 C ATOM 321 O ASP A 24 10.383 2.240 -2.849 1.00 0.00 O ATOM 322 CB ASP A 24 11.044 2.445 -5.902 1.00 0.00 C ATOM 323 CG ASP A 24 12.505 2.536 -6.295 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.369 2.414 -5.401 1.00 0.00 O ATOM 325 OD2 ASP A 24 12.785 2.728 -7.496 1.00 0.00 O ATOM 0 H ASP A 24 8.826 1.366 -5.815 1.00 0.00 H new ATOM 0 HA ASP A 24 11.359 0.397 -5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.432 2.377 -6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.752 3.360 -5.386 1.00 0.00 H new ATOM 330 N HIS A 25 12.293 1.085 -3.133 1.00 0.00 N ATOM 331 CA HIS A 25 12.768 1.324 -1.775 1.00 0.00 C ATOM 332 C HIS A 25 13.159 2.786 -1.586 1.00 0.00 C ATOM 333 O HIS A 25 13.294 3.262 -0.458 1.00 0.00 O ATOM 334 CB HIS A 25 13.962 0.420 -1.463 1.00 0.00 C ATOM 335 CG HIS A 25 14.762 0.873 -0.281 1.00 0.00 C ATOM 336 ND1 HIS A 25 14.759 0.211 0.928 1.00 0.00 N ATOM 337 CD2 HIS A 25 15.597 1.928 -0.129 1.00 0.00 C ATOM 338 CE1 HIS A 25 15.555 0.840 1.774 1.00 0.00 C ATOM 339 NE2 HIS A 25 16.077 1.885 1.157 1.00 0.00 N ATOM 0 H HIS A 25 12.924 0.527 -3.708 1.00 0.00 H new ATOM 0 HA HIS A 25 11.956 1.091 -1.086 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.603 -0.593 -1.282 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.612 0.376 -2.337 1.00 0.00 H new ATOM 0 HD2 HIS A 25 15.840 2.666 -0.879 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.747 0.549 2.796 1.00 0.00 H new ATOM 0 HE2 HIS A 25 16.730 2.551 1.569 1.00 0.00 H new ATOM 347 N ARG A 26 13.338 3.494 -2.696 1.00 0.00 N ATOM 348 CA ARG A 26 13.715 4.902 -2.652 1.00 0.00 C ATOM 349 C ARG A 26 12.533 5.768 -2.228 1.00 0.00 C ATOM 350 O ARG A 26 12.708 6.908 -1.796 1.00 0.00 O ATOM 351 CB ARG A 26 14.230 5.357 -4.019 1.00 0.00 C ATOM 352 CG ARG A 26 15.696 5.033 -4.257 1.00 0.00 C ATOM 353 CD ARG A 26 16.008 4.920 -5.740 1.00 0.00 C ATOM 354 NE ARG A 26 17.391 4.515 -5.980 1.00 0.00 N ATOM 355 CZ ARG A 26 18.423 5.348 -5.906 1.00 0.00 C ATOM 356 NH1 ARG A 26 18.230 6.623 -5.600 1.00 0.00 N ATOM 357 NH2 ARG A 26 19.652 4.904 -6.137 1.00 0.00 N ATOM 0 H ARG A 26 13.228 3.116 -3.637 1.00 0.00 H new ATOM 0 HA ARG A 26 14.510 5.017 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.631 4.886 -4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.085 6.433 -4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 26 16.318 5.809 -3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.948 4.097 -3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.334 4.196 -6.198 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.822 5.879 -6.223 1.00 0.00 H new ATOM 0 HE ARG A 26 17.574 3.540 -6.217 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.287 6.967 -5.420 1.00 0.00 H new ATOM 0 HH12 ARG A 26 19.025 7.260 -5.544 1.00 0.00 H new ATOM 0 HH21 ARG A 26 19.804 3.923 -6.371 1.00 0.00 H new ATOM 0 HH22 ARG A 26 20.444 5.544 -6.080 1.00 0.00 H new ATOM 371 N VAL A 27 11.329 5.220 -2.355 1.00 0.00 N ATOM 372 CA VAL A 27 10.117 5.942 -1.984 1.00 0.00 C ATOM 373 C VAL A 27 9.436 5.293 -0.784 1.00 0.00 C ATOM 374 O VAL A 27 8.555 5.886 -0.161 1.00 0.00 O ATOM 375 CB VAL A 27 9.120 6.004 -3.156 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.807 6.505 -4.417 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.488 4.640 -3.389 1.00 0.00 C ATOM 0 H VAL A 27 11.166 4.278 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 27 10.420 6.955 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 27 8.328 6.708 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.086 6.542 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.207 7.503 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.620 5.829 -4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.786 4.702 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.266 3.914 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.958 4.326 -2.490 1.00 0.00 H new ATOM 387 N HIS A 28 9.850 4.071 -0.466 1.00 0.00 N ATOM 388 CA HIS A 28 9.280 3.340 0.661 1.00 0.00 C ATOM 389 C HIS A 28 8.971 4.283 1.820 1.00 0.00 C ATOM 390 O HIS A 28 7.825 4.397 2.252 1.00 0.00 O ATOM 391 CB HIS A 28 10.240 2.243 1.122 1.00 0.00 C ATOM 392 CG HIS A 28 10.030 0.933 0.428 1.00 0.00 C ATOM 393 ND1 HIS A 28 10.635 -0.239 0.833 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.276 0.612 -0.649 1.00 0.00 C ATOM 395 CE1 HIS A 28 10.263 -1.223 0.033 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.438 -0.733 -0.874 1.00 0.00 N ATOM 0 H HIS A 28 10.577 3.566 -0.972 1.00 0.00 H new ATOM 0 HA HIS A 28 8.348 2.881 0.331 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.265 2.574 0.953 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.124 2.098 2.196 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.661 1.288 -1.225 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.580 -2.253 0.108 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.993 -1.267 -1.621 1.00 0.00 H new ATOM 404 N ALA A 29 10.003 4.957 2.319 1.00 0.00 N ATOM 405 CA ALA A 29 9.841 5.891 3.426 1.00 0.00 C ATOM 406 C ALA A 29 8.873 7.011 3.063 1.00 0.00 C ATOM 407 O ALA A 29 7.872 7.226 3.747 1.00 0.00 O ATOM 408 CB ALA A 29 11.190 6.467 3.832 1.00 0.00 C ATOM 0 H ALA A 29 10.959 4.873 1.974 1.00 0.00 H new ATOM 0 HA ALA A 29 9.422 5.345 4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.054 7.163 4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.852 5.659 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.631 6.992 2.985 1.00 0.00 H new ATOM 414 N ARG A 30 9.177 7.723 1.983 1.00 0.00 N ATOM 415 CA ARG A 30 8.334 8.823 1.530 1.00 0.00 C ATOM 416 C ARG A 30 6.857 8.481 1.699 1.00 0.00 C ATOM 417 O ARG A 30 6.039 9.350 2.001 1.00 0.00 O ATOM 418 CB ARG A 30 8.629 9.151 0.065 1.00 0.00 C ATOM 419 CG ARG A 30 9.894 9.970 -0.133 1.00 0.00 C ATOM 420 CD ARG A 30 9.621 11.459 0.005 1.00 0.00 C ATOM 421 NE ARG A 30 9.335 11.837 1.387 1.00 0.00 N ATOM 422 CZ ARG A 30 10.277 12.093 2.288 1.00 0.00 C ATOM 423 NH1 ARG A 30 11.558 12.012 1.955 1.00 0.00 N ATOM 424 NH2 ARG A 30 9.938 12.431 3.526 1.00 0.00 N ATOM 0 H ARG A 30 10.001 7.558 1.405 1.00 0.00 H new ATOM 0 HA ARG A 30 8.559 9.696 2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.717 8.221 -0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.784 9.697 -0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.643 9.667 0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.311 9.765 -1.119 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.484 12.021 -0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.777 11.733 -0.628 1.00 0.00 H new ATOM 0 HE ARG A 30 8.359 11.908 1.676 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.822 11.753 1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.279 12.209 2.649 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.954 12.494 3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.662 12.627 4.217 1.00 0.00 H new ATOM 438 N ILE A 31 6.523 7.210 1.501 1.00 0.00 N ATOM 439 CA ILE A 31 5.145 6.753 1.631 1.00 0.00 C ATOM 440 C ILE A 31 4.830 6.362 3.071 1.00 0.00 C ATOM 441 O ILE A 31 3.828 6.800 3.638 1.00 0.00 O ATOM 442 CB ILE A 31 4.861 5.552 0.710 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.866 5.992 -0.755 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.529 4.912 1.072 1.00 0.00 C ATOM 445 CD1 ILE A 31 4.839 4.838 -1.733 1.00 0.00 C ATOM 0 H ILE A 31 7.188 6.479 1.250 1.00 0.00 H new ATOM 0 HA ILE A 31 4.507 7.585 1.335 1.00 0.00 H new ATOM 0 HB ILE A 31 5.648 4.811 0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.002 6.632 -0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.755 6.595 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.341 4.064 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.560 4.568 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.730 5.645 0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.844 5.225 -2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.716 4.210 -1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.937 4.247 -1.574 1.00 0.00 H new ATOM 457 N ILE A 32 5.691 5.538 3.656 1.00 0.00 N ATOM 458 CA ILE A 32 5.506 5.090 5.031 1.00 0.00 C ATOM 459 C ILE A 32 5.214 6.266 5.957 1.00 0.00 C ATOM 460 O ILE A 32 4.343 6.186 6.823 1.00 0.00 O ATOM 461 CB ILE A 32 6.745 4.338 5.550 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.877 2.983 4.851 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.661 4.155 7.058 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.220 2.321 5.064 1.00 0.00 C ATOM 0 H ILE A 32 6.524 5.166 3.200 1.00 0.00 H new ATOM 0 HA ILE A 32 4.654 4.411 5.030 1.00 0.00 H new ATOM 0 HB ILE A 32 7.631 4.931 5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.092 2.319 5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.713 3.117 3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.544 3.622 7.410 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.610 5.131 7.541 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.768 3.581 7.306 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.242 1.365 4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.009 2.965 4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.379 2.154 6.129 1.00 0.00 H new ATOM 476 N GLY A 33 5.948 7.358 5.767 1.00 0.00 N ATOM 477 CA GLY A 33 5.751 8.536 6.592 1.00 0.00 C ATOM 478 C GLY A 33 6.734 8.608 7.744 1.00 0.00 C ATOM 479 O GLY A 33 7.685 7.829 7.807 1.00 0.00 O ATOM 0 H GLY A 33 6.675 7.448 5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.853 9.429 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.734 8.534 6.985 1.00 0.00 H new ATOM 483 N ALA A 34 6.505 9.546 8.657 1.00 0.00 N ATOM 484 CA ALA A 34 7.377 9.716 9.813 1.00 0.00 C ATOM 485 C ALA A 34 7.056 8.695 10.899 1.00 0.00 C ATOM 486 O ALA A 34 7.898 7.873 11.260 1.00 0.00 O ATOM 487 CB ALA A 34 7.256 11.130 10.362 1.00 0.00 C ATOM 0 H ALA A 34 5.723 10.200 8.619 1.00 0.00 H new ATOM 0 HA ALA A 34 8.404 9.551 9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.912 11.243 11.225 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.543 11.845 9.591 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.225 11.316 10.664 1.00 0.00 H new ATOM 493 N ARG A 35 5.833 8.753 11.415 1.00 0.00 N ATOM 494 CA ARG A 35 5.401 7.834 12.461 1.00 0.00 C ATOM 495 C ARG A 35 4.527 6.725 11.884 1.00 0.00 C ATOM 496 O ARG A 35 3.867 5.993 12.621 1.00 0.00 O ATOM 497 CB ARG A 35 4.634 8.589 13.548 1.00 0.00 C ATOM 498 CG ARG A 35 3.388 9.293 13.037 1.00 0.00 C ATOM 499 CD ARG A 35 2.173 8.380 13.084 1.00 0.00 C ATOM 500 NE ARG A 35 1.977 7.798 14.409 1.00 0.00 N ATOM 501 CZ ARG A 35 1.172 6.768 14.648 1.00 0.00 C ATOM 502 NH1 ARG A 35 0.492 6.210 13.656 1.00 0.00 N ATOM 503 NH2 ARG A 35 1.047 6.295 15.881 1.00 0.00 N ATOM 0 H ARG A 35 5.124 9.427 11.126 1.00 0.00 H new ATOM 0 HA ARG A 35 6.289 7.381 12.901 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.349 7.888 14.333 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.296 9.325 14.003 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.199 10.183 13.638 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.553 9.629 12.013 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.284 8.944 12.801 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.291 7.582 12.351 1.00 0.00 H new ATOM 0 HE ARG A 35 2.486 8.204 15.194 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.586 6.571 12.707 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.125 5.420 13.842 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.569 6.722 16.646 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.429 5.504 16.064 1.00 0.00 H new ATOM 517 N GLY A 36 4.526 6.607 10.559 1.00 0.00 N ATOM 518 CA GLY A 36 3.729 5.586 9.906 1.00 0.00 C ATOM 519 C GLY A 36 2.285 6.008 9.720 1.00 0.00 C ATOM 520 O GLY A 36 1.373 5.187 9.821 1.00 0.00 O ATOM 0 H GLY A 36 5.063 7.201 9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.165 5.356 8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.763 4.670 10.496 1.00 0.00 H new ATOM 524 N LYS A 37 2.076 7.291 9.449 1.00 0.00 N ATOM 525 CA LYS A 37 0.733 7.823 9.249 1.00 0.00 C ATOM 526 C LYS A 37 0.373 7.850 7.767 1.00 0.00 C ATOM 527 O LYS A 37 -0.695 7.386 7.370 1.00 0.00 O ATOM 528 CB LYS A 37 0.627 9.232 9.837 1.00 0.00 C ATOM 529 CG LYS A 37 -0.802 9.735 9.957 1.00 0.00 C ATOM 530 CD LYS A 37 -1.284 10.359 8.659 1.00 0.00 C ATOM 531 CE LYS A 37 -2.561 11.159 8.866 1.00 0.00 C ATOM 532 NZ LYS A 37 -3.697 10.292 9.286 1.00 0.00 N ATOM 0 H LYS A 37 2.820 7.983 9.363 1.00 0.00 H new ATOM 0 HA LYS A 37 0.030 7.168 9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.091 9.241 10.823 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.195 9.921 9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.458 8.908 10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.864 10.470 10.760 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.507 11.009 8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.459 9.576 7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.391 11.926 9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.820 11.675 7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.560 10.866 9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.844 9.545 8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.481 9.859 10.207 1.00 0.00 H new ATOM 546 N ALA A 38 1.273 8.394 6.955 1.00 0.00 N ATOM 547 CA ALA A 38 1.051 8.478 5.517 1.00 0.00 C ATOM 548 C ALA A 38 0.574 7.143 4.956 1.00 0.00 C ATOM 549 O ALA A 38 -0.189 7.102 3.990 1.00 0.00 O ATOM 550 CB ALA A 38 2.324 8.924 4.812 1.00 0.00 C ATOM 0 H ALA A 38 2.162 8.783 7.268 1.00 0.00 H new ATOM 0 HA ALA A 38 0.270 9.217 5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.144 8.983 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.622 9.904 5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.119 8.205 5.008 1.00 0.00 H new ATOM 556 N ILE A 39 1.027 6.054 5.567 1.00 0.00 N ATOM 557 CA ILE A 39 0.645 4.717 5.128 1.00 0.00 C ATOM 558 C ILE A 39 -0.641 4.262 5.809 1.00 0.00 C ATOM 559 O ILE A 39 -1.362 3.409 5.291 1.00 0.00 O ATOM 560 CB ILE A 39 1.757 3.691 5.416 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.456 2.368 4.708 1.00 0.00 C ATOM 562 CG2 ILE A 39 1.902 3.474 6.915 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.668 2.423 3.211 1.00 0.00 C ATOM 0 H ILE A 39 1.659 6.071 6.367 1.00 0.00 H new ATOM 0 HA ILE A 39 0.483 4.772 4.051 1.00 0.00 H new ATOM 0 HB ILE A 39 2.699 4.081 5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.090 1.588 5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.424 2.083 4.911 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.692 2.746 7.103 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.157 4.418 7.396 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.962 3.102 7.321 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.436 1.451 2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.014 3.180 2.779 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.707 2.677 3.000 1.00 0.00 H new ATOM 575 N ARG A 40 -0.923 4.837 6.973 1.00 0.00 N ATOM 576 CA ARG A 40 -2.123 4.491 7.726 1.00 0.00 C ATOM 577 C ARG A 40 -3.380 4.894 6.960 1.00 0.00 C ATOM 578 O ARG A 40 -4.349 4.138 6.894 1.00 0.00 O ATOM 579 CB ARG A 40 -2.107 5.173 9.095 1.00 0.00 C ATOM 580 CG ARG A 40 -3.352 4.904 9.924 1.00 0.00 C ATOM 581 CD ARG A 40 -3.349 3.494 10.493 1.00 0.00 C ATOM 582 NE ARG A 40 -2.624 3.416 11.759 1.00 0.00 N ATOM 583 CZ ARG A 40 -2.196 2.277 12.291 1.00 0.00 C ATOM 584 NH1 ARG A 40 -2.418 1.127 11.671 1.00 0.00 N ATOM 585 NH2 ARG A 40 -1.543 2.288 13.446 1.00 0.00 N ATOM 0 H ARG A 40 -0.337 5.545 7.416 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.134 3.410 7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.232 4.835 9.650 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.000 6.249 8.954 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.411 5.626 10.738 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.239 5.047 9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.376 3.161 10.642 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.895 2.813 9.773 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.436 4.284 12.262 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.919 1.115 10.783 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.088 0.254 12.082 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.370 3.171 13.925 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.214 1.413 13.854 1.00 0.00 H new ATOM 599 N LYS A 41 -3.357 6.091 6.384 1.00 0.00 N ATOM 600 CA LYS A 41 -4.493 6.596 5.622 1.00 0.00 C ATOM 601 C LYS A 41 -4.782 5.704 4.419 1.00 0.00 C ATOM 602 O LYS A 41 -5.935 5.369 4.146 1.00 0.00 O ATOM 603 CB LYS A 41 -4.225 8.029 5.155 1.00 0.00 C ATOM 604 CG LYS A 41 -3.224 8.119 4.016 1.00 0.00 C ATOM 605 CD LYS A 41 -2.909 9.563 3.664 1.00 0.00 C ATOM 606 CE LYS A 41 -3.857 10.097 2.601 1.00 0.00 C ATOM 607 NZ LYS A 41 -3.550 9.542 1.254 1.00 0.00 N ATOM 0 H LYS A 41 -2.563 6.730 6.430 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.366 6.590 6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.165 8.481 4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.858 8.614 5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.306 7.603 4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.622 7.608 3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.980 10.181 4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.882 9.636 3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.883 9.847 2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.791 11.185 2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.062 10.085 0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.527 9.606 1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.846 8.546 1.213 1.00 0.00 H new ATOM 621 N ILE A 42 -3.728 5.321 3.706 1.00 0.00 N ATOM 622 CA ILE A 42 -3.869 4.465 2.535 1.00 0.00 C ATOM 623 C ILE A 42 -4.522 3.136 2.900 1.00 0.00 C ATOM 624 O ILE A 42 -5.369 2.627 2.167 1.00 0.00 O ATOM 625 CB ILE A 42 -2.507 4.190 1.872 1.00 0.00 C ATOM 626 CG1 ILE A 42 -1.952 5.470 1.245 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.640 3.095 0.823 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.552 5.316 0.693 1.00 0.00 C ATOM 0 H ILE A 42 -2.767 5.590 3.919 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.506 4.998 1.830 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.809 3.851 2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.617 5.789 0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.953 6.262 1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.669 2.912 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.996 2.180 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.350 3.408 0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.224 6.263 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.126 5.027 1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.548 4.547 -0.080 1.00 0.00 H new ATOM 640 N MET A 43 -4.123 2.581 4.040 1.00 0.00 N ATOM 641 CA MET A 43 -4.672 1.312 4.505 1.00 0.00 C ATOM 642 C MET A 43 -6.161 1.443 4.809 1.00 0.00 C ATOM 643 O MET A 43 -6.983 0.706 4.264 1.00 0.00 O ATOM 644 CB MET A 43 -3.925 0.835 5.751 1.00 0.00 C ATOM 645 CG MET A 43 -2.588 0.179 5.445 1.00 0.00 C ATOM 646 SD MET A 43 -1.906 -0.702 6.862 1.00 0.00 S ATOM 647 CE MET A 43 -0.674 0.469 7.427 1.00 0.00 C ATOM 0 H MET A 43 -3.422 2.990 4.658 1.00 0.00 H new ATOM 0 HA MET A 43 -4.545 0.577 3.711 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.760 1.685 6.413 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.553 0.127 6.292 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.711 -0.516 4.615 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.880 0.941 5.121 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.535 0.360 8.503 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.271 0.277 6.918 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.007 1.483 7.205 1.00 0.00 H new ATOM 657 N ASP A 44 -6.501 2.385 5.682 1.00 0.00 N ATOM 658 CA ASP A 44 -7.892 2.612 6.058 1.00 0.00 C ATOM 659 C ASP A 44 -8.728 2.997 4.841 1.00 0.00 C ATOM 660 O ASP A 44 -9.906 2.652 4.752 1.00 0.00 O ATOM 661 CB ASP A 44 -7.982 3.708 7.121 1.00 0.00 C ATOM 662 CG ASP A 44 -7.832 3.163 8.528 1.00 0.00 C ATOM 663 OD1 ASP A 44 -8.576 2.225 8.884 1.00 0.00 O ATOM 664 OD2 ASP A 44 -6.970 3.674 9.273 1.00 0.00 O ATOM 0 H ASP A 44 -5.833 3.003 6.142 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.288 1.684 6.469 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.207 4.452 6.938 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.941 4.218 7.032 1.00 0.00 H new ATOM 669 N GLU A 45 -8.110 3.714 3.908 1.00 0.00 N ATOM 670 CA GLU A 45 -8.799 4.147 2.698 1.00 0.00 C ATOM 671 C GLU A 45 -9.487 2.970 2.013 1.00 0.00 C ATOM 672 O GLU A 45 -10.694 2.996 1.772 1.00 0.00 O ATOM 673 CB GLU A 45 -7.814 4.809 1.732 1.00 0.00 C ATOM 674 CG GLU A 45 -8.427 5.170 0.390 1.00 0.00 C ATOM 675 CD GLU A 45 -9.501 6.233 0.506 1.00 0.00 C ATOM 676 OE1 GLU A 45 -9.363 7.123 1.371 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.480 6.175 -0.267 1.00 0.00 O ATOM 0 H GLU A 45 -7.135 4.007 3.967 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.559 4.874 2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.416 5.712 2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.972 4.137 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.643 5.523 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.854 4.275 -0.062 1.00 0.00 H new ATOM 684 N PHE A 46 -8.709 1.938 1.701 1.00 0.00 N ATOM 685 CA PHE A 46 -9.242 0.751 1.042 1.00 0.00 C ATOM 686 C PHE A 46 -9.360 -0.410 2.025 1.00 0.00 C ATOM 687 O PHE A 46 -9.650 -1.541 1.636 1.00 0.00 O ATOM 688 CB PHE A 46 -8.348 0.350 -0.134 1.00 0.00 C ATOM 689 CG PHE A 46 -8.026 1.490 -1.058 1.00 0.00 C ATOM 690 CD1 PHE A 46 -6.932 2.305 -0.818 1.00 0.00 C ATOM 691 CD2 PHE A 46 -8.817 1.746 -2.166 1.00 0.00 C ATOM 692 CE1 PHE A 46 -6.632 3.354 -1.666 1.00 0.00 C ATOM 693 CE2 PHE A 46 -8.522 2.793 -3.018 1.00 0.00 C ATOM 694 CZ PHE A 46 -7.429 3.599 -2.767 1.00 0.00 C ATOM 0 H PHE A 46 -7.708 1.900 1.894 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.238 0.990 0.668 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.418 -0.068 0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.840 -0.440 -0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.306 2.118 0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.674 1.120 -2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.775 3.981 -1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.146 2.981 -3.880 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.198 4.419 -3.430 1.00 0.00 H new ATOM 704 N LYS A 47 -9.132 -0.122 3.302 1.00 0.00 N ATOM 705 CA LYS A 47 -9.213 -1.140 4.343 1.00 0.00 C ATOM 706 C LYS A 47 -8.265 -2.297 4.046 1.00 0.00 C ATOM 707 O LYS A 47 -8.630 -3.464 4.191 1.00 0.00 O ATOM 708 CB LYS A 47 -10.647 -1.660 4.466 1.00 0.00 C ATOM 709 CG LYS A 47 -11.668 -0.569 4.740 1.00 0.00 C ATOM 710 CD LYS A 47 -11.567 -0.056 6.166 1.00 0.00 C ATOM 711 CE LYS A 47 -12.644 0.976 6.465 1.00 0.00 C ATOM 712 NZ LYS A 47 -12.329 1.769 7.686 1.00 0.00 N ATOM 0 H LYS A 47 -8.889 0.809 3.641 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.917 -0.683 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.918 -2.176 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.690 -2.396 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.516 0.256 4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.671 -0.955 4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.658 -0.890 6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.584 0.386 6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.750 1.648 5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.602 0.473 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.087 2.461 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.253 1.131 8.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.427 2.269 7.552 1.00 0.00 H new ATOM 726 N VAL A 48 -7.046 -1.967 3.632 1.00 0.00 N ATOM 727 CA VAL A 48 -6.044 -2.979 3.318 1.00 0.00 C ATOM 728 C VAL A 48 -4.833 -2.857 4.236 1.00 0.00 C ATOM 729 O VAL A 48 -4.630 -1.827 4.880 1.00 0.00 O ATOM 730 CB VAL A 48 -5.578 -2.872 1.854 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.689 -3.301 0.908 1.00 0.00 C ATOM 732 CG2 VAL A 48 -5.119 -1.455 1.544 1.00 0.00 C ATOM 0 H VAL A 48 -6.728 -1.006 3.506 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.516 -3.950 3.471 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.731 -3.543 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.342 -3.219 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.965 -4.335 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.557 -2.657 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.793 -1.397 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.945 -0.762 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.290 -1.189 2.200 1.00 0.00 H new ATOM 742 N ASP A 49 -4.031 -3.914 4.291 1.00 0.00 N ATOM 743 CA ASP A 49 -2.838 -3.925 5.129 1.00 0.00 C ATOM 744 C ASP A 49 -1.575 -3.990 4.276 1.00 0.00 C ATOM 745 O ASP A 49 -1.314 -4.993 3.611 1.00 0.00 O ATOM 746 CB ASP A 49 -2.877 -5.111 6.094 1.00 0.00 C ATOM 747 CG ASP A 49 -4.165 -5.166 6.893 1.00 0.00 C ATOM 748 OD1 ASP A 49 -4.278 -4.419 7.887 1.00 0.00 O ATOM 749 OD2 ASP A 49 -5.059 -5.956 6.524 1.00 0.00 O ATOM 0 H ASP A 49 -4.185 -4.774 3.765 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.820 -2.999 5.704 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.762 -6.037 5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.031 -5.047 6.778 1.00 0.00 H new ATOM 754 N ILE A 50 -0.796 -2.914 4.298 1.00 0.00 N ATOM 755 CA ILE A 50 0.439 -2.849 3.527 1.00 0.00 C ATOM 756 C ILE A 50 1.639 -3.258 4.374 1.00 0.00 C ATOM 757 O ILE A 50 2.051 -2.530 5.278 1.00 0.00 O ATOM 758 CB ILE A 50 0.679 -1.435 2.966 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.463 -1.033 2.031 1.00 0.00 C ATOM 760 CG2 ILE A 50 2.013 -1.373 2.238 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.439 0.428 1.640 1.00 0.00 C ATOM 0 H ILE A 50 -0.998 -2.075 4.842 1.00 0.00 H new ATOM 0 HA ILE A 50 0.329 -3.547 2.697 1.00 0.00 H new ATOM 0 HB ILE A 50 0.708 -0.731 3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.415 -1.643 1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.414 -1.255 2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.168 -0.367 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.817 -1.621 2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.011 -2.086 1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.277 0.641 0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.518 1.045 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.496 0.652 1.126 1.00 0.00 H new ATOM 773 N ARG A 51 2.197 -4.426 4.075 1.00 0.00 N ATOM 774 CA ARG A 51 3.351 -4.932 4.809 1.00 0.00 C ATOM 775 C ARG A 51 4.637 -4.715 4.018 1.00 0.00 C ATOM 776 O ARG A 51 4.869 -5.367 3.000 1.00 0.00 O ATOM 777 CB ARG A 51 3.174 -6.420 5.117 1.00 0.00 C ATOM 778 CG ARG A 51 4.149 -6.947 6.157 1.00 0.00 C ATOM 779 CD ARG A 51 3.990 -6.227 7.486 1.00 0.00 C ATOM 780 NE ARG A 51 4.753 -6.870 8.553 1.00 0.00 N ATOM 781 CZ ARG A 51 4.470 -6.734 9.843 1.00 0.00 C ATOM 782 NH1 ARG A 51 3.446 -5.984 10.226 1.00 0.00 N ATOM 783 NH2 ARG A 51 5.211 -7.352 10.755 1.00 0.00 N ATOM 0 H ARG A 51 1.869 -5.040 3.330 1.00 0.00 H new ATOM 0 HA ARG A 51 3.424 -4.380 5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.156 -6.591 5.466 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.295 -6.990 4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.988 -8.016 6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.170 -6.824 5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.317 -5.193 7.379 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.935 -6.201 7.760 1.00 0.00 H new ATOM 0 HE ARG A 51 5.547 -7.455 8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.873 -5.509 9.529 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.232 -5.882 11.218 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.998 -7.932 10.465 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.993 -7.247 11.746 1.00 0.00 H new ATOM 797 N PHE A 52 5.469 -3.794 4.492 1.00 0.00 N ATOM 798 CA PHE A 52 6.731 -3.489 3.828 1.00 0.00 C ATOM 799 C PHE A 52 7.782 -4.549 4.144 1.00 0.00 C ATOM 800 O PHE A 52 7.729 -5.225 5.172 1.00 0.00 O ATOM 801 CB PHE A 52 7.237 -2.110 4.256 1.00 0.00 C ATOM 802 CG PHE A 52 6.597 -0.977 3.505 1.00 0.00 C ATOM 803 CD1 PHE A 52 5.395 -0.436 3.934 1.00 0.00 C ATOM 804 CD2 PHE A 52 7.197 -0.453 2.372 1.00 0.00 C ATOM 805 CE1 PHE A 52 4.804 0.606 3.244 1.00 0.00 C ATOM 806 CE2 PHE A 52 6.611 0.590 1.679 1.00 0.00 C ATOM 807 CZ PHE A 52 5.413 1.120 2.116 1.00 0.00 C ATOM 0 H PHE A 52 5.292 -3.246 5.334 1.00 0.00 H new ATOM 0 HA PHE A 52 6.555 -3.486 2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.052 -1.979 5.322 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.317 -2.067 4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.915 -0.833 4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.134 -0.864 2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.866 1.018 3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.089 0.990 0.797 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.953 1.935 1.577 1.00 0.00 H new ATOM 817 N PRO A 53 8.760 -4.700 3.239 1.00 0.00 N ATOM 818 CA PRO A 53 9.842 -5.676 3.398 1.00 0.00 C ATOM 819 C PRO A 53 10.804 -5.298 4.519 1.00 0.00 C ATOM 820 O PRO A 53 11.323 -4.182 4.553 1.00 0.00 O ATOM 821 CB PRO A 53 10.557 -5.638 2.045 1.00 0.00 C ATOM 822 CG PRO A 53 10.262 -4.283 1.499 1.00 0.00 C ATOM 823 CD PRO A 53 8.886 -3.929 1.990 1.00 0.00 C ATOM 0 HA PRO A 53 9.464 -6.662 3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.630 -5.794 2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.190 -6.421 1.381 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.998 -3.556 1.842 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.299 -4.285 0.410 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.786 -2.858 2.167 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.118 -4.206 1.268 1.00 0.00 H new ATOM 831 N GLN A 54 11.037 -6.234 5.433 1.00 0.00 N ATOM 832 CA GLN A 54 11.937 -5.997 6.556 1.00 0.00 C ATOM 833 C GLN A 54 13.394 -6.079 6.113 1.00 0.00 C ATOM 834 O GLN A 54 13.684 -6.312 4.939 1.00 0.00 O ATOM 835 CB GLN A 54 11.673 -7.010 7.671 1.00 0.00 C ATOM 836 CG GLN A 54 10.244 -6.986 8.188 1.00 0.00 C ATOM 837 CD GLN A 54 10.143 -7.397 9.644 1.00 0.00 C ATOM 838 OE1 GLN A 54 10.634 -8.456 10.038 1.00 0.00 O ATOM 839 NE2 GLN A 54 9.504 -6.560 10.453 1.00 0.00 N ATOM 0 H GLN A 54 10.616 -7.163 5.418 1.00 0.00 H new ATOM 0 HA GLN A 54 11.748 -4.993 6.935 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.901 -8.010 7.303 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.354 -6.812 8.499 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.835 -5.983 8.068 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.631 -7.654 7.583 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.113 -5.693 10.084 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.405 -6.784 11.443 1.00 0.00 H new ATOM 848 N SER A 55 14.307 -5.886 7.059 1.00 0.00 N ATOM 849 CA SER A 55 15.735 -5.934 6.765 1.00 0.00 C ATOM 850 C SER A 55 16.127 -7.296 6.201 1.00 0.00 C ATOM 851 O SER A 55 16.995 -7.395 5.334 1.00 0.00 O ATOM 852 CB SER A 55 16.547 -5.639 8.027 1.00 0.00 C ATOM 853 OG SER A 55 16.240 -6.561 9.059 1.00 0.00 O ATOM 0 H SER A 55 14.084 -5.695 8.036 1.00 0.00 H new ATOM 0 HA SER A 55 15.953 -5.173 6.016 1.00 0.00 H new ATOM 0 HB2 SER A 55 17.612 -5.687 7.798 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.339 -4.625 8.368 1.00 0.00 H new ATOM 0 HG SER A 55 16.773 -6.352 9.854 1.00 0.00 H new ATOM 859 N GLY A 56 15.481 -8.345 6.700 1.00 0.00 N ATOM 860 CA GLY A 56 15.775 -9.688 6.235 1.00 0.00 C ATOM 861 C GLY A 56 14.739 -10.203 5.255 1.00 0.00 C ATOM 862 O GLY A 56 14.429 -11.394 5.238 1.00 0.00 O ATOM 0 H GLY A 56 14.759 -8.289 7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.756 -9.698 5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.828 -10.362 7.090 1.00 0.00 H new ATOM 866 N ALA A 57 14.201 -9.303 4.438 1.00 0.00 N ATOM 867 CA ALA A 57 13.194 -9.673 3.452 1.00 0.00 C ATOM 868 C ALA A 57 13.840 -10.042 2.120 1.00 0.00 C ATOM 869 O ALA A 57 14.878 -9.504 1.736 1.00 0.00 O ATOM 870 CB ALA A 57 12.200 -8.537 3.261 1.00 0.00 C ATOM 0 H ALA A 57 14.446 -8.313 4.440 1.00 0.00 H new ATOM 0 HA ALA A 57 12.662 -10.549 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.453 -8.827 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.707 -8.321 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.726 -7.647 2.915 1.00 0.00 H new ATOM 876 N PRO A 58 13.213 -10.984 1.399 1.00 0.00 N ATOM 877 CA PRO A 58 13.710 -11.446 0.099 1.00 0.00 C ATOM 878 C PRO A 58 13.572 -10.383 -0.985 1.00 0.00 C ATOM 879 O PRO A 58 14.348 -10.353 -1.940 1.00 0.00 O ATOM 880 CB PRO A 58 12.817 -12.649 -0.214 1.00 0.00 C ATOM 881 CG PRO A 58 11.560 -12.396 0.546 1.00 0.00 C ATOM 882 CD PRO A 58 11.972 -11.668 1.796 1.00 0.00 C ATOM 0 HA PRO A 58 14.773 -11.684 0.130 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.623 -12.731 -1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.287 -13.582 0.097 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.862 -11.799 -0.041 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.055 -13.331 0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.209 -10.960 2.119 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.140 -12.356 2.625 1.00 0.00 H new ATOM 890 N ASP A 59 12.580 -9.513 -0.832 1.00 0.00 N ATOM 891 CA ASP A 59 12.341 -8.447 -1.798 1.00 0.00 C ATOM 892 C ASP A 59 12.185 -7.102 -1.096 1.00 0.00 C ATOM 893 O ASP A 59 11.088 -6.701 -0.707 1.00 0.00 O ATOM 894 CB ASP A 59 11.093 -8.752 -2.627 1.00 0.00 C ATOM 895 CG ASP A 59 11.226 -10.034 -3.425 1.00 0.00 C ATOM 896 OD1 ASP A 59 12.067 -10.074 -4.347 1.00 0.00 O ATOM 897 OD2 ASP A 59 10.489 -10.997 -3.129 1.00 0.00 O ATOM 0 H ASP A 59 11.928 -9.525 -0.048 1.00 0.00 H new ATOM 0 HA ASP A 59 13.204 -8.391 -2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.230 -8.828 -1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.901 -7.922 -3.307 1.00 0.00 H new ATOM 902 N PRO A 60 13.308 -6.389 -0.927 1.00 0.00 N ATOM 903 CA PRO A 60 13.322 -5.078 -0.270 1.00 0.00 C ATOM 904 C PRO A 60 12.647 -4.001 -1.112 1.00 0.00 C ATOM 905 O PRO A 60 12.545 -2.848 -0.696 1.00 0.00 O ATOM 906 CB PRO A 60 14.815 -4.776 -0.112 1.00 0.00 C ATOM 907 CG PRO A 60 15.476 -5.561 -1.193 1.00 0.00 C ATOM 908 CD PRO A 60 14.651 -6.806 -1.365 1.00 0.00 C ATOM 0 HA PRO A 60 12.773 -5.088 0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.017 -3.710 -0.217 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.177 -5.074 0.872 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.518 -4.990 -2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.503 -5.808 -0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.648 -7.146 -2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 60 15.034 -7.628 -0.760 1.00 0.00 H new ATOM 916 N ASN A 61 12.187 -4.385 -2.299 1.00 0.00 N ATOM 917 CA ASN A 61 11.522 -3.450 -3.199 1.00 0.00 C ATOM 918 C ASN A 61 10.088 -3.891 -3.477 1.00 0.00 C ATOM 919 O ASN A 61 9.424 -3.355 -4.365 1.00 0.00 O ATOM 920 CB ASN A 61 12.296 -3.337 -4.514 1.00 0.00 C ATOM 921 CG ASN A 61 12.939 -4.649 -4.920 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.282 -5.688 -4.964 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.232 -4.605 -5.220 1.00 0.00 N ATOM 0 H ASN A 61 12.263 -5.336 -2.659 1.00 0.00 H new ATOM 0 HA ASN A 61 11.497 -2.474 -2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.620 -3.007 -5.303 1.00 0.00 H new ATOM 0 HB3 ASN A 61 13.067 -2.573 -4.414 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.720 -5.456 -5.501 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.737 -3.720 -5.170 1.00 0.00 H new ATOM 930 N CYS A 62 9.616 -4.869 -2.712 1.00 0.00 N ATOM 931 CA CYS A 62 8.261 -5.382 -2.876 1.00 0.00 C ATOM 932 C CYS A 62 7.495 -5.325 -1.558 1.00 0.00 C ATOM 933 O CYS A 62 8.061 -5.554 -0.489 1.00 0.00 O ATOM 934 CB CYS A 62 8.297 -6.820 -3.397 1.00 0.00 C ATOM 935 SG CYS A 62 6.679 -7.474 -3.871 1.00 0.00 S ATOM 0 H CYS A 62 10.152 -5.323 -1.972 1.00 0.00 H new ATOM 0 HA CYS A 62 7.746 -4.753 -3.602 1.00 0.00 H new ATOM 0 HB2 CYS A 62 8.962 -6.866 -4.259 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.726 -7.463 -2.628 1.00 0.00 H new ATOM 0 HG CYS A 62 6.365 -8.464 -3.089 1.00 0.00 H new ATOM 941 N VAL A 63 6.205 -5.017 -1.642 1.00 0.00 N ATOM 942 CA VAL A 63 5.361 -4.929 -0.456 1.00 0.00 C ATOM 943 C VAL A 63 4.188 -5.898 -0.544 1.00 0.00 C ATOM 944 O VAL A 63 3.652 -6.148 -1.624 1.00 0.00 O ATOM 945 CB VAL A 63 4.819 -3.501 -0.258 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.958 -2.493 -0.256 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.799 -3.164 -1.335 1.00 0.00 C ATOM 0 H VAL A 63 5.721 -4.824 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 63 5.985 -5.195 0.397 1.00 0.00 H new ATOM 0 HB VAL A 63 4.320 -3.451 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.556 -1.490 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.648 -2.725 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.488 -2.541 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.427 -2.151 -1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.270 -3.231 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.968 -3.868 -1.283 1.00 0.00 H new ATOM 957 N THR A 64 3.791 -6.443 0.602 1.00 0.00 N ATOM 958 CA THR A 64 2.681 -7.386 0.656 1.00 0.00 C ATOM 959 C THR A 64 1.408 -6.710 1.154 1.00 0.00 C ATOM 960 O THR A 64 1.280 -6.402 2.339 1.00 0.00 O ATOM 961 CB THR A 64 3.004 -8.583 1.571 1.00 0.00 C ATOM 962 OG1 THR A 64 4.092 -9.337 1.024 1.00 0.00 O ATOM 963 CG2 THR A 64 1.789 -9.483 1.735 1.00 0.00 C ATOM 0 H THR A 64 4.222 -6.247 1.505 1.00 0.00 H new ATOM 0 HA THR A 64 2.524 -7.747 -0.361 1.00 0.00 H new ATOM 0 HB THR A 64 3.285 -8.198 2.551 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.293 -10.095 1.612 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.042 -10.321 2.385 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.972 -8.914 2.178 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.481 -9.860 0.760 1.00 0.00 H new ATOM 971 N VAL A 65 0.469 -6.482 0.242 1.00 0.00 N ATOM 972 CA VAL A 65 -0.795 -5.844 0.589 1.00 0.00 C ATOM 973 C VAL A 65 -1.906 -6.876 0.749 1.00 0.00 C ATOM 974 O VAL A 65 -2.191 -7.646 -0.168 1.00 0.00 O ATOM 975 CB VAL A 65 -1.215 -4.815 -0.477 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.524 -4.146 -0.086 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.118 -3.780 -0.680 1.00 0.00 C ATOM 0 H VAL A 65 0.560 -6.730 -0.743 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.641 -5.331 1.538 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.369 -5.338 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.805 -3.422 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.305 -4.901 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.401 -3.635 0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.432 -3.061 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.070 -3.260 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.795 -4.277 -1.008 1.00 0.00 H new ATOM 987 N THR A 66 -2.532 -6.886 1.922 1.00 0.00 N ATOM 988 CA THR A 66 -3.612 -7.824 2.204 1.00 0.00 C ATOM 989 C THR A 66 -4.974 -7.163 2.026 1.00 0.00 C ATOM 990 O THR A 66 -5.095 -5.940 2.093 1.00 0.00 O ATOM 991 CB THR A 66 -3.509 -8.386 3.634 1.00 0.00 C ATOM 992 OG1 THR A 66 -2.161 -8.784 3.909 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.441 -9.574 3.817 1.00 0.00 C ATOM 0 H THR A 66 -2.310 -6.255 2.692 1.00 0.00 H new ATOM 0 HA THR A 66 -3.513 -8.644 1.492 1.00 0.00 H new ATOM 0 HB THR A 66 -3.805 -7.602 4.331 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.104 -9.139 4.821 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.351 -9.954 4.835 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.469 -9.261 3.636 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.172 -10.360 3.111 1.00 0.00 H new ATOM 1001 N GLY A 67 -5.998 -7.980 1.800 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.339 -7.456 1.617 1.00 0.00 C ATOM 1003 C GLY A 67 -8.027 -8.036 0.398 1.00 0.00 C ATOM 1004 O GLY A 67 -7.384 -8.651 -0.454 1.00 0.00 O ATOM 0 H GLY A 67 -5.923 -8.995 1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.934 -7.673 2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.292 -6.371 1.522 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.339 -7.843 0.313 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.116 -8.354 -0.811 1.00 0.00 C ATOM 1010 C LEU A 68 -9.446 -8.010 -2.138 1.00 0.00 C ATOM 1011 O LEU A 68 -8.711 -7.029 -2.254 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.534 -7.780 -0.779 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.474 -8.371 0.272 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.609 -9.874 0.082 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -11.975 -8.052 1.673 1.00 0.00 C ATOM 0 H LEU A 68 -9.887 -7.337 1.009 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.167 -9.439 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.466 -6.705 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.984 -7.922 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.458 -7.919 0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.282 -10.277 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.012 -10.081 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.630 -10.343 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.656 -8.480 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -10.980 -8.476 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.931 -6.971 1.806 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.705 -8.836 -3.163 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.138 -8.638 -4.500 1.00 0.00 C ATOM 1029 C PRO A 69 -9.726 -7.420 -5.205 1.00 0.00 C ATOM 1030 O PRO A 69 -9.160 -6.921 -6.177 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.522 -9.921 -5.241 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.739 -10.415 -4.538 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.570 -10.025 -3.095 1.00 0.00 C ATOM 0 HA PRO A 69 -8.064 -8.455 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.725 -9.724 -6.294 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.718 -10.656 -5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.641 -9.971 -4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.838 -11.496 -4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.527 -9.799 -2.625 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.110 -10.824 -2.514 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.864 -6.946 -4.707 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.528 -5.786 -5.290 1.00 0.00 C ATOM 1043 C GLU A 70 -10.991 -4.492 -4.686 1.00 0.00 C ATOM 1044 O GLU A 70 -11.028 -3.437 -5.318 1.00 0.00 O ATOM 1045 CB GLU A 70 -13.040 -5.874 -5.075 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.446 -5.909 -3.611 1.00 0.00 C ATOM 1047 CD GLU A 70 -14.928 -5.661 -3.411 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -15.451 -4.689 -3.994 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.565 -6.439 -2.671 1.00 0.00 O ATOM 0 H GLU A 70 -11.345 -7.347 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.321 -5.780 -6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.517 -5.020 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.417 -6.769 -5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.183 -6.879 -3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.878 -5.158 -3.062 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.494 -4.581 -3.456 1.00 0.00 N ATOM 1057 CA ASN A 71 -9.951 -3.417 -2.765 1.00 0.00 C ATOM 1058 C ASN A 71 -8.449 -3.295 -3.003 1.00 0.00 C ATOM 1059 O ASN A 71 -7.931 -2.199 -3.219 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.235 -3.511 -1.265 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.646 -3.080 -0.915 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.158 -2.097 -1.452 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.282 -3.815 -0.010 1.00 0.00 N ATOM 0 H ASN A 71 -10.456 -5.447 -2.918 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.438 -2.528 -3.165 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.078 -4.537 -0.932 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.523 -2.888 -0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.234 -3.573 0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.819 -4.621 0.409 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.755 -4.428 -2.963 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.312 -4.448 -3.176 1.00 0.00 C ATOM 1072 C VAL A 72 -5.940 -3.753 -4.481 1.00 0.00 C ATOM 1073 O VAL A 72 -5.072 -2.880 -4.504 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.769 -5.889 -3.202 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.295 -5.898 -3.575 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -5.992 -6.566 -1.858 1.00 0.00 C ATOM 0 H VAL A 72 -8.168 -5.344 -2.785 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.861 -3.912 -2.341 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.314 -6.451 -3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.929 -6.925 -3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.167 -5.454 -4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.731 -5.321 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.602 -7.583 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.475 -6.007 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.059 -6.594 -1.637 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.602 -4.145 -5.565 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.340 -3.558 -6.874 1.00 0.00 C ATOM 1088 C GLU A 73 -6.403 -2.035 -6.810 1.00 0.00 C ATOM 1089 O GLU A 73 -5.536 -1.345 -7.344 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.346 -4.079 -7.902 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.790 -3.752 -7.560 1.00 0.00 C ATOM 1092 CD GLU A 73 -9.780 -4.588 -8.348 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -9.702 -5.832 -8.270 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -10.633 -3.997 -9.043 1.00 0.00 O ATOM 0 H GLU A 73 -7.323 -4.866 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.335 -3.850 -7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.108 -3.656 -8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.238 -5.160 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.952 -3.912 -6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.976 -2.696 -7.755 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.437 -1.519 -6.153 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.614 -0.077 -6.021 1.00 0.00 C ATOM 1103 C GLU A 74 -6.457 0.545 -5.246 1.00 0.00 C ATOM 1104 O GLU A 74 -6.013 1.651 -5.553 1.00 0.00 O ATOM 1105 CB GLU A 74 -8.938 0.234 -5.320 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.162 -0.206 -6.106 1.00 0.00 C ATOM 1107 CD GLU A 74 -11.442 0.423 -5.592 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -11.619 0.482 -4.357 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -12.268 0.854 -6.424 1.00 0.00 O ATOM 0 H GLU A 74 -8.164 -2.077 -5.704 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.631 0.354 -7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.947 -0.255 -4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.000 1.307 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.029 0.056 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.250 -1.291 -6.057 1.00 0.00 H new ATOM 1116 N ALA A 75 -5.973 -0.175 -4.239 1.00 0.00 N ATOM 1117 CA ALA A 75 -4.866 0.304 -3.420 1.00 0.00 C ATOM 1118 C ALA A 75 -3.592 0.443 -4.245 1.00 0.00 C ATOM 1119 O ALA A 75 -2.911 1.467 -4.187 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.636 -0.632 -2.243 1.00 0.00 C ATOM 0 H ALA A 75 -6.330 -1.092 -3.971 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.130 1.291 -3.039 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.807 -0.262 -1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.537 -0.676 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.399 -1.630 -2.612 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.274 -0.594 -5.013 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.081 -0.587 -5.851 1.00 0.00 C ATOM 1128 C ILE A 76 -2.053 0.639 -6.757 1.00 0.00 C ATOM 1129 O ILE A 76 -1.067 1.375 -6.792 1.00 0.00 O ATOM 1130 CB ILE A 76 -1.996 -1.855 -6.720 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -1.989 -3.105 -5.837 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.754 -1.813 -7.598 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.422 -4.360 -6.562 1.00 0.00 C ATOM 0 H ILE A 76 -3.826 -1.450 -5.072 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.223 -0.559 -5.179 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.873 -1.894 -7.366 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.985 -3.253 -5.439 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.649 -2.942 -4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.708 -2.716 -8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.797 -0.939 -8.248 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.134 -1.753 -6.969 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.393 -5.206 -5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.438 -4.232 -6.937 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.748 -4.548 -7.398 1.00 0.00 H new ATOM 1145 N ASP A 77 -3.142 0.853 -7.487 1.00 0.00 N ATOM 1146 CA ASP A 77 -3.244 1.993 -8.392 1.00 0.00 C ATOM 1147 C ASP A 77 -2.857 3.286 -7.682 1.00 0.00 C ATOM 1148 O ASP A 77 -2.292 4.196 -8.291 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.665 2.105 -8.946 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.712 2.824 -10.280 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -4.183 2.273 -11.269 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -5.277 3.936 -10.335 1.00 0.00 O ATOM 0 H ASP A 77 -3.966 0.253 -7.470 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.552 1.833 -9.219 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.087 1.107 -9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.291 2.636 -8.228 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.166 3.363 -6.392 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.851 4.546 -5.599 1.00 0.00 C ATOM 1159 C HIS A 78 -1.383 4.548 -5.185 1.00 0.00 C ATOM 1160 O HIS A 78 -0.760 5.604 -5.077 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.743 4.607 -4.358 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.409 5.739 -3.436 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.280 6.773 -3.168 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.292 5.994 -2.716 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.713 7.617 -2.325 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.506 7.167 -2.034 1.00 0.00 N ATOM 0 H HIS A 78 -3.634 2.620 -5.873 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.038 5.426 -6.215 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.783 4.700 -4.672 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.657 3.667 -3.812 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.217 6.871 -3.560 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.399 5.388 -2.684 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.160 8.521 -1.939 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.837 3.358 -4.955 1.00 0.00 N ATOM 1175 CA ILE A 79 0.558 3.224 -4.554 1.00 0.00 C ATOM 1176 C ILE A 79 1.497 3.655 -5.675 1.00 0.00 C ATOM 1177 O ILE A 79 2.313 4.562 -5.503 1.00 0.00 O ATOM 1178 CB ILE A 79 0.890 1.775 -4.150 1.00 0.00 C ATOM 1179 CG1 ILE A 79 0.183 1.412 -2.843 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.395 1.595 -4.013 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.420 -0.017 -2.404 1.00 0.00 C ATOM 0 H ILE A 79 -1.339 2.474 -5.039 1.00 0.00 H new ATOM 0 HA ILE A 79 0.703 3.876 -3.692 1.00 0.00 H new ATOM 0 HB ILE A 79 0.533 1.104 -4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.522 2.086 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.888 1.574 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.614 0.566 -3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.876 1.817 -4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.774 2.273 -3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.111 -0.204 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.055 -0.699 -3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.487 -0.179 -2.253 1.00 0.00 H new ATOM 1193 N LEU A 80 1.376 3.001 -6.825 1.00 0.00 N ATOM 1194 CA LEU A 80 2.212 3.318 -7.977 1.00 0.00 C ATOM 1195 C LEU A 80 2.056 4.782 -8.377 1.00 0.00 C ATOM 1196 O LEU A 80 2.987 5.395 -8.898 1.00 0.00 O ATOM 1197 CB LEU A 80 1.853 2.414 -9.158 1.00 0.00 C ATOM 1198 CG LEU A 80 2.601 1.083 -9.236 1.00 0.00 C ATOM 1199 CD1 LEU A 80 1.946 0.160 -10.252 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.064 1.313 -9.587 1.00 0.00 C ATOM 0 H LEU A 80 0.707 2.248 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 80 3.251 3.145 -7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.784 2.205 -9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.036 2.965 -10.080 1.00 0.00 H new ATOM 0 HG LEU A 80 2.553 0.604 -8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.493 -0.782 -10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.914 -0.032 -9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.961 0.631 -11.235 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.581 0.355 -9.638 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.132 1.814 -10.553 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.528 1.935 -8.822 1.00 0.00 H new ATOM 1212 N ASN A 81 0.874 5.335 -8.128 1.00 0.00 N ATOM 1213 CA ASN A 81 0.597 6.728 -8.461 1.00 0.00 C ATOM 1214 C ASN A 81 1.578 7.661 -7.759 1.00 0.00 C ATOM 1215 O ASN A 81 2.116 8.586 -8.368 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.838 7.091 -8.071 1.00 0.00 C ATOM 1217 CG ASN A 81 -1.039 8.588 -7.941 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.294 9.379 -8.519 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -2.051 8.984 -7.177 1.00 0.00 N ATOM 0 H ASN A 81 0.093 4.841 -7.697 1.00 0.00 H new ATOM 0 HA ASN A 81 0.716 6.849 -9.538 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.526 6.698 -8.820 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.088 6.610 -7.125 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.236 9.979 -7.051 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.643 8.293 -6.717 1.00 0.00 H new ATOM 1226 N LEU A 82 1.808 7.411 -6.475 1.00 0.00 N ATOM 1227 CA LEU A 82 2.726 8.228 -5.688 1.00 0.00 C ATOM 1228 C LEU A 82 4.176 7.896 -6.027 1.00 0.00 C ATOM 1229 O LEU A 82 5.037 8.775 -6.034 1.00 0.00 O ATOM 1230 CB LEU A 82 2.477 8.014 -4.194 1.00 0.00 C ATOM 1231 CG LEU A 82 1.032 8.179 -3.724 1.00 0.00 C ATOM 1232 CD1 LEU A 82 0.876 7.683 -2.295 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.597 9.633 -3.837 1.00 0.00 C ATOM 0 H LEU A 82 1.372 6.649 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 82 2.545 9.274 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.811 7.011 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.101 8.714 -3.638 1.00 0.00 H new ATOM 0 HG LEU A 82 0.390 7.578 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.159 7.808 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.146 6.628 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.529 8.257 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.434 9.732 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.243 10.255 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.670 9.955 -4.876 1.00 0.00 H new ATOM 1245 N GLU A 83 4.437 6.624 -6.308 1.00 0.00 N ATOM 1246 CA GLU A 83 5.783 6.178 -6.649 1.00 0.00 C ATOM 1247 C GLU A 83 6.386 7.054 -7.743 1.00 0.00 C ATOM 1248 O GLU A 83 7.563 7.409 -7.689 1.00 0.00 O ATOM 1249 CB GLU A 83 5.760 4.717 -7.105 1.00 0.00 C ATOM 1250 CG GLU A 83 7.006 4.298 -7.867 1.00 0.00 C ATOM 1251 CD GLU A 83 6.879 4.522 -9.362 1.00 0.00 C ATOM 1252 OE1 GLU A 83 7.009 5.684 -9.800 1.00 0.00 O ATOM 1253 OE2 GLU A 83 6.649 3.536 -10.092 1.00 0.00 O ATOM 0 H GLU A 83 3.735 5.884 -6.306 1.00 0.00 H new ATOM 0 HA GLU A 83 6.403 6.263 -5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.645 4.074 -6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.887 4.556 -7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.863 4.858 -7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.206 3.243 -7.677 1.00 0.00 H new ATOM 1260 N GLU A 84 5.570 7.399 -8.734 1.00 0.00 N ATOM 1261 CA GLU A 84 6.023 8.232 -9.841 1.00 0.00 C ATOM 1262 C GLU A 84 6.152 9.690 -9.408 1.00 0.00 C ATOM 1263 O GLU A 84 7.108 10.374 -9.773 1.00 0.00 O ATOM 1264 CB GLU A 84 5.054 8.124 -11.021 1.00 0.00 C ATOM 1265 CG GLU A 84 5.653 8.572 -12.343 1.00 0.00 C ATOM 1266 CD GLU A 84 4.985 7.919 -13.538 1.00 0.00 C ATOM 1267 OE1 GLU A 84 4.939 6.672 -13.584 1.00 0.00 O ATOM 1268 OE2 GLU A 84 4.507 8.656 -14.426 1.00 0.00 O ATOM 0 H GLU A 84 4.592 7.114 -8.793 1.00 0.00 H new ATOM 0 HA GLU A 84 7.005 7.874 -10.152 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.722 7.090 -11.114 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.170 8.725 -10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.565 9.655 -12.429 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.717 8.337 -12.353 1.00 0.00 H new ATOM 1275 N GLU A 85 5.183 10.157 -8.627 1.00 0.00 N ATOM 1276 CA GLU A 85 5.188 11.533 -8.145 1.00 0.00 C ATOM 1277 C GLU A 85 6.430 11.810 -7.303 1.00 0.00 C ATOM 1278 O GLU A 85 7.013 12.892 -7.374 1.00 0.00 O ATOM 1279 CB GLU A 85 3.928 11.814 -7.323 1.00 0.00 C ATOM 1280 CG GLU A 85 3.941 13.166 -6.631 1.00 0.00 C ATOM 1281 CD GLU A 85 3.141 13.170 -5.343 1.00 0.00 C ATOM 1282 OE1 GLU A 85 1.920 13.425 -5.404 1.00 0.00 O ATOM 1283 OE2 GLU A 85 3.736 12.918 -4.274 1.00 0.00 O ATOM 0 H GLU A 85 4.385 9.603 -8.315 1.00 0.00 H new ATOM 0 HA GLU A 85 5.203 12.194 -9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.058 11.759 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.813 11.032 -6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.971 13.450 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.538 13.920 -7.307 1.00 0.00 H new ATOM 1290 N TYR A 86 6.828 10.826 -6.505 1.00 0.00 N ATOM 1291 CA TYR A 86 7.998 10.963 -5.646 1.00 0.00 C ATOM 1292 C TYR A 86 9.285 10.860 -6.459 1.00 0.00 C ATOM 1293 O TYR A 86 10.109 11.776 -6.459 1.00 0.00 O ATOM 1294 CB TYR A 86 7.984 9.893 -4.554 1.00 0.00 C ATOM 1295 CG TYR A 86 6.938 10.129 -3.488 1.00 0.00 C ATOM 1296 CD1 TYR A 86 6.769 11.385 -2.920 1.00 0.00 C ATOM 1297 CD2 TYR A 86 6.119 9.096 -3.049 1.00 0.00 C ATOM 1298 CE1 TYR A 86 5.815 11.606 -1.945 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.162 9.307 -2.076 1.00 0.00 C ATOM 1300 CZ TYR A 86 5.014 10.563 -1.526 1.00 0.00 C ATOM 1301 OH TYR A 86 4.062 10.779 -0.556 1.00 0.00 O ATOM 0 H TYR A 86 6.357 9.924 -6.435 1.00 0.00 H new ATOM 0 HA TYR A 86 7.962 11.948 -5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.810 8.920 -5.013 1.00 0.00 H new ATOM 0 HB3 TYR A 86 8.967 9.852 -4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.394 12.203 -3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.233 8.111 -3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.697 12.589 -1.513 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.533 8.493 -1.748 1.00 0.00 H new ATOM 0 HH TYR A 86 3.583 9.943 -0.376 1.00 0.00 H new ATOM 1311 N LEU A 87 9.451 9.738 -7.151 1.00 0.00 N ATOM 1312 CA LEU A 87 10.637 9.513 -7.970 1.00 0.00 C ATOM 1313 C LEU A 87 10.883 10.691 -8.908 1.00 0.00 C ATOM 1314 O LEU A 87 12.023 11.109 -9.109 1.00 0.00 O ATOM 1315 CB LEU A 87 10.485 8.225 -8.780 1.00 0.00 C ATOM 1316 CG LEU A 87 10.540 6.921 -7.984 1.00 0.00 C ATOM 1317 CD1 LEU A 87 10.190 5.737 -8.872 1.00 0.00 C ATOM 1318 CD2 LEU A 87 11.917 6.734 -7.362 1.00 0.00 C ATOM 0 H LEU A 87 8.780 8.970 -7.161 1.00 0.00 H new ATOM 0 HA LEU A 87 11.495 9.417 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.534 8.263 -9.311 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.271 8.200 -9.535 1.00 0.00 H new ATOM 0 HG LEU A 87 9.804 6.977 -7.182 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.235 4.818 -8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.183 5.866 -9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.901 5.678 -9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.938 5.801 -6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.670 6.700 -8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.130 7.567 -6.692 1.00 0.00 H new ATOM 1330 N ALA A 88 9.806 11.222 -9.477 1.00 0.00 N ATOM 1331 CA ALA A 88 9.904 12.354 -10.390 1.00 0.00 C ATOM 1332 C ALA A 88 10.697 13.497 -9.764 1.00 0.00 C ATOM 1333 O ALA A 88 11.253 14.339 -10.470 1.00 0.00 O ATOM 1334 CB ALA A 88 8.516 12.830 -10.793 1.00 0.00 C ATOM 0 H ALA A 88 8.855 10.886 -9.322 1.00 0.00 H new ATOM 0 HA ALA A 88 10.435 12.024 -11.283 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.605 13.676 -11.475 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.983 12.019 -11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.964 13.137 -9.904 1.00 0.00 H new