USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 606 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 8 THR OG1 : rot -165:sc=-0.00739 USER MOD Set 1.2: A 10 HIS : no HD1:sc= -0.51 K(o=-0.6,f=-1.8) USER MOD Set 1.3: A 84 ASN : amide:sc= -0.0859 K(o=-0.6,f=-1.8) USER MOD Set 2.1: A 62 ASN : amide:sc= 0 X(o=-0.93,f=-0.93) USER MOD Set 2.2: A 81 SER OG : rot 110:sc= -0.931 USER MOD Set 3.1: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= -2.13 F(o=-3.9!,f=-2.1) USER MOD Single : A 5 HIS :FLIP no HD1:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 6 THR OG1 : rot 35:sc= 0.706! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.1) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0418 F(o=-1,f=-0.042) USER MOD Single : A 55 ASN : amide:sc= -0.0131 X(o=-0.013,f=-0.23) USER MOD Single : A 66 MET CE :methyl -144:sc= -6.02! (180deg=-11.1!) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.444 F(o=-1,f=-0.44) USER MOD Single : A 71 HIS : no HD1:sc= -0.957 K(o=-0.96,f=-1.5) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -1.03 X(o=-1,f=-0.94) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 71:sc= -0.552 USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 3 3.179 5.775 -11.795 1.00 0.00 N ATOM 135 CA GLU A 3 3.023 4.703 -12.771 1.00 0.00 C ATOM 136 C GLU A 3 2.513 3.443 -12.083 1.00 0.00 C ATOM 137 O GLU A 3 2.721 3.260 -10.886 1.00 0.00 O ATOM 138 CB GLU A 3 4.353 4.420 -13.470 1.00 0.00 C ATOM 139 CG GLU A 3 4.773 5.509 -14.444 1.00 0.00 C ATOM 140 CD GLU A 3 4.546 5.118 -15.891 1.00 0.00 C ATOM 141 OE1 GLU A 3 5.165 4.131 -16.343 1.00 0.00 O ATOM 142 OE2 GLU A 3 3.752 5.799 -16.573 1.00 0.00 O ATOM 0 HA GLU A 3 2.297 5.016 -13.521 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.131 4.298 -12.716 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.278 3.474 -14.006 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.216 6.420 -14.226 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.828 5.737 -14.295 1.00 0.00 H new ATOM 149 N GLN A 4 1.835 2.583 -12.835 1.00 0.00 N ATOM 150 CA GLN A 4 1.288 1.352 -12.271 1.00 0.00 C ATOM 151 C GLN A 4 2.076 0.129 -12.729 1.00 0.00 C ATOM 152 O GLN A 4 2.279 -0.081 -13.925 1.00 0.00 O ATOM 153 CB GLN A 4 -0.182 1.198 -12.666 1.00 0.00 C ATOM 154 CG GLN A 4 -0.948 0.222 -11.789 1.00 0.00 C ATOM 155 CD GLN A 4 -2.257 -0.220 -12.413 1.00 0.00 C ATOM 156 OE1 GLN A 4 -3.332 -0.164 -11.637 1.00 0.00 O flip ATOM 157 NE2 GLN A 4 -2.301 -0.607 -13.581 1.00 0.00 N flip ATOM 0 H GLN A 4 1.651 2.713 -13.830 1.00 0.00 H new ATOM 0 HA GLN A 4 1.368 1.420 -11.186 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.666 2.173 -12.619 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.238 0.864 -13.702 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.327 -0.653 -11.598 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.149 0.687 -10.824 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.449 -0.634 -14.142 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.189 -0.901 -13.988 1.00 0.00 H new ATOM 166 N HIS A 5 2.513 -0.675 -11.764 1.00 0.00 N ATOM 167 CA HIS A 5 3.276 -1.883 -12.057 1.00 0.00 C ATOM 168 C HIS A 5 2.580 -3.115 -11.485 1.00 0.00 C ATOM 169 O HIS A 5 2.068 -3.088 -10.364 1.00 0.00 O ATOM 170 CB HIS A 5 4.688 -1.778 -11.477 1.00 0.00 C ATOM 171 CG HIS A 5 5.619 -0.943 -12.303 1.00 0.00 C ATOM 172 ND1 HIS A 5 5.372 0.056 -13.183 1.00 0.00 N flip ATOM 173 CD2 HIS A 5 6.989 -1.094 -12.274 1.00 0.00 C flip ATOM 174 CE1 HIS A 5 6.585 0.483 -13.664 1.00 0.00 C flip ATOM 175 NE2 HIS A 5 7.545 -0.225 -13.100 1.00 0.00 N flip ATOM 0 H HIS A 5 2.351 -0.511 -10.770 1.00 0.00 H new ATOM 0 HA HIS A 5 3.340 -1.985 -13.140 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.629 -1.355 -10.474 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.105 -2.780 -11.377 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.525 -1.811 -11.670 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.730 1.272 -14.388 1.00 0.00 H new ATOM 0 HE2 HIS A 5 8.545 -0.120 -13.272 1.00 0.00 H new ATOM 184 N THR A 6 2.569 -4.193 -12.261 1.00 0.00 N ATOM 185 CA THR A 6 1.941 -5.437 -11.833 1.00 0.00 C ATOM 186 C THR A 6 2.985 -6.535 -11.656 1.00 0.00 C ATOM 187 O THR A 6 3.633 -6.949 -12.618 1.00 0.00 O ATOM 188 CB THR A 6 0.886 -5.877 -12.849 1.00 0.00 C ATOM 189 OG1 THR A 6 1.500 -6.366 -14.029 1.00 0.00 O ATOM 190 CG2 THR A 6 -0.057 -4.763 -13.251 1.00 0.00 C ATOM 0 H THR A 6 2.988 -4.230 -13.190 1.00 0.00 H new ATOM 0 HA THR A 6 1.456 -5.261 -10.873 1.00 0.00 H new ATOM 0 HB THR A 6 0.311 -6.657 -12.350 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.330 -6.832 -13.797 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.780 -5.141 -13.973 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.583 -4.395 -12.370 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.512 -3.949 -13.700 1.00 0.00 H new ATOM 198 N VAL A 7 3.146 -6.999 -10.421 1.00 0.00 N ATOM 199 CA VAL A 7 4.116 -8.046 -10.119 1.00 0.00 C ATOM 200 C VAL A 7 3.448 -9.256 -9.472 1.00 0.00 C ATOM 201 O VAL A 7 2.439 -9.125 -8.778 1.00 0.00 O ATOM 202 CB VAL A 7 5.226 -7.526 -9.186 1.00 0.00 C ATOM 203 CG1 VAL A 7 6.346 -8.548 -9.065 1.00 0.00 C ATOM 204 CG2 VAL A 7 5.762 -6.193 -9.685 1.00 0.00 C ATOM 0 H VAL A 7 2.618 -6.667 -9.614 1.00 0.00 H new ATOM 0 HA VAL A 7 4.557 -8.349 -11.069 1.00 0.00 H new ATOM 0 HB VAL A 7 4.799 -7.372 -8.195 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.120 -8.162 -8.402 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.948 -9.477 -8.657 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.773 -8.738 -10.050 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.545 -5.841 -9.013 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.172 -6.318 -10.687 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.953 -5.463 -9.713 1.00 0.00 H new ATOM 214 N THR A 8 4.022 -10.432 -9.705 1.00 0.00 N ATOM 215 CA THR A 8 3.491 -11.671 -9.148 1.00 0.00 C ATOM 216 C THR A 8 4.393 -12.197 -8.036 1.00 0.00 C ATOM 217 O THR A 8 5.535 -12.584 -8.282 1.00 0.00 O ATOM 218 CB THR A 8 3.349 -12.726 -10.247 1.00 0.00 C ATOM 219 OG1 THR A 8 2.750 -13.904 -9.738 1.00 0.00 O ATOM 220 CG2 THR A 8 4.669 -13.116 -10.876 1.00 0.00 C ATOM 0 H THR A 8 4.857 -10.553 -10.278 1.00 0.00 H new ATOM 0 HA THR A 8 2.509 -11.460 -8.725 1.00 0.00 H new ATOM 0 HB THR A 8 2.723 -12.264 -11.011 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.878 -14.638 -10.375 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.497 -13.867 -11.647 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.133 -12.237 -11.323 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.329 -13.525 -10.112 1.00 0.00 H new ATOM 228 N LEU A 9 3.875 -12.211 -6.811 1.00 0.00 N ATOM 229 CA LEU A 9 4.638 -12.691 -5.665 1.00 0.00 C ATOM 230 C LEU A 9 4.139 -14.059 -5.210 1.00 0.00 C ATOM 231 O LEU A 9 3.017 -14.191 -4.723 1.00 0.00 O ATOM 232 CB LEU A 9 4.550 -11.694 -4.505 1.00 0.00 C ATOM 233 CG LEU A 9 4.549 -10.217 -4.916 1.00 0.00 C ATOM 234 CD1 LEU A 9 3.185 -9.591 -4.664 1.00 0.00 C ATOM 235 CD2 LEU A 9 5.632 -9.454 -4.169 1.00 0.00 C ATOM 0 H LEU A 9 2.931 -11.896 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 9 5.679 -12.786 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.641 -11.898 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.390 -11.867 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 9 4.761 -10.159 -5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.205 -8.543 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.429 -10.119 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.942 -9.662 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.616 -8.408 -4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.451 -9.522 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.606 -9.885 -4.401 1.00 0.00 H new ATOM 247 N HIS A 10 4.982 -15.074 -5.373 1.00 0.00 N ATOM 248 CA HIS A 10 4.627 -16.431 -4.977 1.00 0.00 C ATOM 249 C HIS A 10 4.710 -16.592 -3.462 1.00 0.00 C ATOM 250 O HIS A 10 5.747 -16.322 -2.855 1.00 0.00 O ATOM 251 CB HIS A 10 5.548 -17.443 -5.661 1.00 0.00 C ATOM 252 CG HIS A 10 5.438 -17.437 -7.154 1.00 0.00 C ATOM 253 ND1 HIS A 10 5.967 -18.430 -7.952 1.00 0.00 N ATOM 254 CD2 HIS A 10 4.855 -16.551 -7.997 1.00 0.00 C ATOM 255 CE1 HIS A 10 5.715 -18.155 -9.220 1.00 0.00 C ATOM 256 NE2 HIS A 10 5.042 -17.021 -9.274 1.00 0.00 N ATOM 0 H HIS A 10 5.914 -14.982 -5.776 1.00 0.00 H new ATOM 0 HA HIS A 10 3.600 -16.618 -5.290 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.580 -17.231 -5.380 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.315 -18.442 -5.292 1.00 0.00 H new ATOM 0 HD2 HIS A 10 4.339 -15.644 -7.717 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.010 -18.756 -10.068 1.00 0.00 H new ATOM 0 HE2 HIS A 10 4.714 -16.567 -10.126 1.00 0.00 H new ATOM 265 N ARG A 11 3.611 -17.031 -2.856 1.00 0.00 N ATOM 266 CA ARG A 11 3.562 -17.226 -1.410 1.00 0.00 C ATOM 267 C ARG A 11 4.633 -18.210 -0.953 1.00 0.00 C ATOM 268 O ARG A 11 4.900 -19.209 -1.622 1.00 0.00 O ATOM 269 CB ARG A 11 2.179 -17.726 -0.988 1.00 0.00 C ATOM 270 CG ARG A 11 1.094 -16.666 -1.080 1.00 0.00 C ATOM 271 CD ARG A 11 0.024 -16.871 -0.021 1.00 0.00 C ATOM 272 NE ARG A 11 -0.801 -15.679 0.160 1.00 0.00 N ATOM 273 CZ ARG A 11 -1.549 -15.452 1.237 1.00 0.00 C ATOM 274 NH1 ARG A 11 -1.581 -16.332 2.231 1.00 0.00 N ATOM 275 NH2 ARG A 11 -2.267 -14.340 1.322 1.00 0.00 N ATOM 0 H ARG A 11 2.744 -17.258 -3.342 1.00 0.00 H new ATOM 0 HA ARG A 11 3.754 -16.264 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.901 -18.573 -1.615 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.232 -18.092 0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.539 -15.678 -0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.638 -16.695 -2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.610 -17.711 -0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.496 -17.133 0.926 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.804 -14.980 -0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.030 -17.188 2.172 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.157 -16.152 3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.246 -13.660 0.562 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.841 -14.165 2.147 1.00 0.00 H new ATOM 289 N ALA A 12 5.243 -17.922 0.193 1.00 0.00 N ATOM 290 CA ALA A 12 6.285 -18.783 0.742 1.00 0.00 C ATOM 291 C ALA A 12 5.895 -19.302 2.124 1.00 0.00 C ATOM 292 O ALA A 12 5.205 -18.620 2.881 1.00 0.00 O ATOM 293 CB ALA A 12 7.606 -18.032 0.812 1.00 0.00 C ATOM 0 H ALA A 12 5.034 -17.100 0.759 1.00 0.00 H new ATOM 0 HA ALA A 12 6.402 -19.641 0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.375 -18.686 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.897 -17.714 -0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.494 -17.157 1.452 1.00 0.00 H new ATOM 299 N PRO A 13 6.335 -20.524 2.472 1.00 0.00 N ATOM 300 CA PRO A 13 6.026 -21.134 3.771 1.00 0.00 C ATOM 301 C PRO A 13 6.406 -20.230 4.939 1.00 0.00 C ATOM 302 O PRO A 13 7.391 -19.494 4.874 1.00 0.00 O ATOM 303 CB PRO A 13 6.878 -22.406 3.782 1.00 0.00 C ATOM 304 CG PRO A 13 7.101 -22.728 2.345 1.00 0.00 C ATOM 305 CD PRO A 13 7.163 -21.408 1.630 1.00 0.00 C ATOM 0 HA PRO A 13 4.959 -21.320 3.888 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.822 -22.245 4.302 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.366 -23.220 4.295 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.026 -23.289 2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.293 -23.346 1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.187 -21.043 1.549 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.770 -21.481 0.616 1.00 0.00 H new ATOM 313 N GLY A 14 5.620 -20.294 6.009 1.00 0.00 N ATOM 314 CA GLY A 14 5.891 -19.480 7.179 1.00 0.00 C ATOM 315 C GLY A 14 5.268 -18.100 7.086 1.00 0.00 C ATOM 316 O GLY A 14 4.443 -17.728 7.919 1.00 0.00 O ATOM 0 H GLY A 14 4.800 -20.895 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.511 -19.987 8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.969 -19.380 7.306 1.00 0.00 H new ATOM 320 N PHE A 15 5.666 -17.340 6.071 1.00 0.00 N ATOM 321 CA PHE A 15 5.143 -15.994 5.876 1.00 0.00 C ATOM 322 C PHE A 15 3.796 -16.031 5.161 1.00 0.00 C ATOM 323 O PHE A 15 2.759 -15.736 5.756 1.00 0.00 O ATOM 324 CB PHE A 15 6.138 -15.149 5.078 1.00 0.00 C ATOM 325 CG PHE A 15 7.531 -15.179 5.640 1.00 0.00 C ATOM 326 CD1 PHE A 15 7.787 -14.716 6.920 1.00 0.00 C ATOM 327 CD2 PHE A 15 8.586 -15.671 4.886 1.00 0.00 C ATOM 328 CE1 PHE A 15 9.067 -14.743 7.440 1.00 0.00 C ATOM 329 CE2 PHE A 15 9.868 -15.700 5.400 1.00 0.00 C ATOM 330 CZ PHE A 15 10.109 -15.235 6.679 1.00 0.00 C ATOM 0 H PHE A 15 6.348 -17.633 5.372 1.00 0.00 H new ATOM 0 HA PHE A 15 4.998 -15.541 6.857 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.162 -15.505 4.048 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.787 -14.117 5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.976 -14.329 7.519 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.403 -16.035 3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.252 -14.380 8.440 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.681 -16.086 4.803 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.111 -15.256 7.083 1.00 0.00 H new ATOM 340 N GLY A 16 3.815 -16.400 3.884 1.00 0.00 N ATOM 341 CA GLY A 16 2.587 -16.472 3.114 1.00 0.00 C ATOM 342 C GLY A 16 2.465 -15.350 2.102 1.00 0.00 C ATOM 343 O GLY A 16 2.760 -15.535 0.923 1.00 0.00 O ATOM 0 H GLY A 16 4.659 -16.650 3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.544 -17.430 2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.735 -16.438 3.793 1.00 0.00 H new ATOM 347 N PHE A 17 2.022 -14.185 2.562 1.00 0.00 N ATOM 348 CA PHE A 17 1.855 -13.031 1.686 1.00 0.00 C ATOM 349 C PHE A 17 3.096 -12.142 1.701 1.00 0.00 C ATOM 350 O PHE A 17 3.484 -11.584 0.676 1.00 0.00 O ATOM 351 CB PHE A 17 0.631 -12.218 2.111 1.00 0.00 C ATOM 352 CG PHE A 17 0.058 -11.374 1.010 1.00 0.00 C ATOM 353 CD1 PHE A 17 -0.170 -11.912 -0.246 1.00 0.00 C ATOM 354 CD2 PHE A 17 -0.254 -10.042 1.232 1.00 0.00 C ATOM 355 CE1 PHE A 17 -0.699 -11.136 -1.261 1.00 0.00 C ATOM 356 CE2 PHE A 17 -0.782 -9.262 0.221 1.00 0.00 C ATOM 357 CZ PHE A 17 -1.005 -9.810 -1.027 1.00 0.00 C ATOM 0 H PHE A 17 1.772 -14.015 3.536 1.00 0.00 H new ATOM 0 HA PHE A 17 1.710 -13.400 0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.139 -12.899 2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.905 -11.574 2.946 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.068 -12.948 -0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.082 -9.609 2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.873 -11.567 -2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.020 -8.225 0.406 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.418 -9.202 -1.819 1.00 0.00 H new ATOM 367 N GLY A 18 3.714 -12.015 2.871 1.00 0.00 N ATOM 368 CA GLY A 18 4.903 -11.192 2.995 1.00 0.00 C ATOM 369 C GLY A 18 4.589 -9.774 3.437 1.00 0.00 C ATOM 370 O GLY A 18 5.428 -9.105 4.039 1.00 0.00 O ATOM 0 H GLY A 18 3.413 -12.467 3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.584 -11.650 3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.422 -11.163 2.037 1.00 0.00 H new ATOM 374 N ILE A 19 3.378 -9.314 3.136 1.00 0.00 N ATOM 375 CA ILE A 19 2.957 -7.968 3.505 1.00 0.00 C ATOM 376 C ILE A 19 1.566 -7.979 4.131 1.00 0.00 C ATOM 377 O ILE A 19 0.890 -9.008 4.144 1.00 0.00 O ATOM 378 CB ILE A 19 2.946 -7.024 2.285 1.00 0.00 C ATOM 379 CG1 ILE A 19 2.303 -7.716 1.080 1.00 0.00 C ATOM 380 CG2 ILE A 19 4.358 -6.565 1.951 1.00 0.00 C ATOM 381 CD1 ILE A 19 1.315 -6.843 0.338 1.00 0.00 C ATOM 0 H ILE A 19 2.671 -9.855 2.637 1.00 0.00 H new ATOM 0 HA ILE A 19 3.681 -7.602 4.233 1.00 0.00 H new ATOM 0 HB ILE A 19 2.352 -6.145 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.087 -8.030 0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.795 -8.619 1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.330 -5.900 1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.779 -6.034 2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.978 -7.432 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.899 -7.398 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.511 -6.550 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.822 -5.952 -0.031 1.00 0.00 H new ATOM 393 N ALA A 20 1.142 -6.828 4.645 1.00 0.00 N ATOM 394 CA ALA A 20 -0.170 -6.707 5.267 1.00 0.00 C ATOM 395 C ALA A 20 -0.985 -5.596 4.613 1.00 0.00 C ATOM 396 O ALA A 20 -0.596 -4.429 4.642 1.00 0.00 O ATOM 397 CB ALA A 20 -0.026 -6.450 6.760 1.00 0.00 C ATOM 0 H ALA A 20 1.689 -5.967 4.642 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.702 -7.647 5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.014 -6.362 7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.511 -7.279 7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.529 -5.525 6.918 1.00 0.00 H new ATOM 403 N ILE A 21 -2.114 -5.970 4.021 1.00 0.00 N ATOM 404 CA ILE A 21 -2.983 -5.005 3.356 1.00 0.00 C ATOM 405 C ILE A 21 -3.836 -4.241 4.366 1.00 0.00 C ATOM 406 O ILE A 21 -4.248 -4.791 5.388 1.00 0.00 O ATOM 407 CB ILE A 21 -3.898 -5.683 2.308 1.00 0.00 C ATOM 408 CG1 ILE A 21 -5.063 -6.429 2.975 1.00 0.00 C ATOM 409 CG2 ILE A 21 -3.089 -6.634 1.439 1.00 0.00 C ATOM 410 CD1 ILE A 21 -4.636 -7.629 3.791 1.00 0.00 C ATOM 0 H ILE A 21 -2.449 -6.933 3.988 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.331 -4.301 2.839 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.322 -4.900 1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.603 -5.736 3.621 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.761 -6.756 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.745 -7.104 0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -2.307 -6.078 0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.635 -7.402 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.515 -8.102 4.230 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.123 -8.343 3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.962 -7.308 4.585 1.00 0.00 H new ATOM 422 N SER A 22 -4.097 -2.971 4.073 1.00 0.00 N ATOM 423 CA SER A 22 -4.900 -2.132 4.954 1.00 0.00 C ATOM 424 C SER A 22 -5.884 -1.287 4.151 1.00 0.00 C ATOM 425 O SER A 22 -5.560 -0.801 3.067 1.00 0.00 O ATOM 426 CB SER A 22 -3.998 -1.226 5.792 1.00 0.00 C ATOM 427 OG SER A 22 -4.521 -1.051 7.097 1.00 0.00 O ATOM 0 H SER A 22 -3.764 -2.501 3.232 1.00 0.00 H new ATOM 0 HA SER A 22 -5.466 -2.784 5.619 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.999 -1.658 5.852 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.897 -0.256 5.304 1.00 0.00 H new ATOM 0 HG SER A 22 -3.925 -0.469 7.613 1.00 0.00 H new ATOM 433 N GLY A 23 -7.087 -1.117 4.689 1.00 0.00 N ATOM 434 CA GLY A 23 -8.099 -0.330 4.008 1.00 0.00 C ATOM 435 C GLY A 23 -9.475 -0.963 4.085 1.00 0.00 C ATOM 436 O GLY A 23 -9.747 -1.767 4.977 1.00 0.00 O ATOM 0 H GLY A 23 -7.379 -1.510 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.136 0.667 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.817 -0.207 2.962 1.00 0.00 H new ATOM 440 N GLY A 24 -10.344 -0.599 3.148 1.00 0.00 N ATOM 441 CA GLY A 24 -11.688 -1.146 3.131 1.00 0.00 C ATOM 442 C GLY A 24 -12.726 -0.120 2.718 1.00 0.00 C ATOM 443 O GLY A 24 -13.165 0.691 3.534 1.00 0.00 O ATOM 0 H GLY A 24 -10.142 0.065 2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.724 -1.992 2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.934 -1.529 4.122 1.00 0.00 H new ATOM 447 N ARG A 25 -13.117 -0.155 1.448 1.00 0.00 N ATOM 448 CA ARG A 25 -14.109 0.781 0.929 1.00 0.00 C ATOM 449 C ARG A 25 -15.497 0.458 1.473 1.00 0.00 C ATOM 450 O ARG A 25 -16.266 1.358 1.810 1.00 0.00 O ATOM 451 CB ARG A 25 -14.127 0.741 -0.600 1.00 0.00 C ATOM 452 CG ARG A 25 -14.908 1.883 -1.229 1.00 0.00 C ATOM 453 CD ARG A 25 -16.368 1.511 -1.440 1.00 0.00 C ATOM 454 NE ARG A 25 -17.269 2.596 -1.061 1.00 0.00 N ATOM 455 CZ ARG A 25 -18.593 2.536 -1.179 1.00 0.00 C ATOM 456 NH1 ARG A 25 -19.175 1.446 -1.665 1.00 0.00 N ATOM 457 NH2 ARG A 25 -19.339 3.567 -0.808 1.00 0.00 N ATOM 0 H ARG A 25 -12.763 -0.820 0.760 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.833 1.783 1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -13.101 0.767 -0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -14.558 -0.206 -0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -14.845 2.764 -0.590 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -14.458 2.150 -2.185 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.529 1.255 -2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -16.604 0.622 -0.855 1.00 0.00 H new ATOM 0 HE ARG A 25 -16.859 3.450 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -18.607 0.649 -1.950 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -20.190 1.406 -1.753 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -18.898 4.406 -0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -20.354 3.521 -0.899 1.00 0.00 H new ATOM 613 N SER A 36 -8.566 3.319 -1.157 1.00 0.00 N ATOM 614 CA SER A 36 -7.655 2.352 -1.757 1.00 0.00 C ATOM 615 C SER A 36 -6.899 1.573 -0.685 1.00 0.00 C ATOM 616 O SER A 36 -6.694 2.065 0.425 1.00 0.00 O ATOM 617 CB SER A 36 -6.663 3.059 -2.683 1.00 0.00 C ATOM 618 OG SER A 36 -5.600 3.639 -1.945 1.00 0.00 O ATOM 0 HA SER A 36 -8.249 1.648 -2.340 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.263 2.346 -3.404 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.179 3.832 -3.252 1.00 0.00 H new ATOM 0 HG SER A 36 -4.979 4.083 -2.560 1.00 0.00 H new ATOM 624 N ILE A 37 -6.490 0.356 -1.025 1.00 0.00 N ATOM 625 CA ILE A 37 -5.756 -0.493 -0.095 1.00 0.00 C ATOM 626 C ILE A 37 -4.271 -0.148 -0.089 1.00 0.00 C ATOM 627 O ILE A 37 -3.672 0.073 -1.142 1.00 0.00 O ATOM 628 CB ILE A 37 -5.925 -1.984 -0.445 1.00 0.00 C ATOM 629 CG1 ILE A 37 -7.405 -2.325 -0.625 1.00 0.00 C ATOM 630 CG2 ILE A 37 -5.301 -2.858 0.633 1.00 0.00 C ATOM 631 CD1 ILE A 37 -8.227 -2.130 0.631 1.00 0.00 C ATOM 0 H ILE A 37 -6.655 -0.065 -1.939 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.171 -0.310 0.896 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.410 -2.180 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.818 -1.705 -1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.494 -3.361 -0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.430 -3.908 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.238 -2.632 0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.788 -2.661 1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.266 -2.391 0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.839 -2.771 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.169 -1.088 0.946 1.00 0.00 H new ATOM 643 N VAL A 38 -3.682 -0.104 1.101 1.00 0.00 N ATOM 644 CA VAL A 38 -2.267 0.215 1.242 1.00 0.00 C ATOM 645 C VAL A 38 -1.578 -0.755 2.197 1.00 0.00 C ATOM 646 O VAL A 38 -2.228 -1.392 3.027 1.00 0.00 O ATOM 647 CB VAL A 38 -2.064 1.657 1.749 1.00 0.00 C ATOM 648 CG1 VAL A 38 -2.705 1.842 3.118 1.00 0.00 C ATOM 649 CG2 VAL A 38 -0.583 2.007 1.793 1.00 0.00 C ATOM 0 H VAL A 38 -4.163 -0.285 1.982 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.820 0.122 0.252 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.553 2.337 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.550 2.866 3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.774 1.640 3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.250 1.152 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.461 3.028 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.067 1.321 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.159 1.922 0.792 1.00 0.00 H new ATOM 659 N ILE A 39 -0.259 -0.864 2.073 1.00 0.00 N ATOM 660 CA ILE A 39 0.517 -1.757 2.925 1.00 0.00 C ATOM 661 C ILE A 39 0.687 -1.172 4.323 1.00 0.00 C ATOM 662 O ILE A 39 1.270 -0.102 4.493 1.00 0.00 O ATOM 663 CB ILE A 39 1.910 -2.037 2.326 1.00 0.00 C ATOM 664 CG1 ILE A 39 1.792 -2.384 0.841 1.00 0.00 C ATOM 665 CG2 ILE A 39 2.597 -3.161 3.086 1.00 0.00 C ATOM 666 CD1 ILE A 39 0.882 -3.561 0.565 1.00 0.00 C ATOM 0 H ILE A 39 0.294 -0.345 1.391 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.038 -2.693 2.989 1.00 0.00 H new ATOM 0 HB ILE A 39 2.517 -1.137 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.420 -1.513 0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.785 -2.603 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.579 -3.347 2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.711 -2.876 4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.994 -4.066 3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.846 -3.750 -0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.265 -4.444 1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.121 -3.338 0.928 1.00 0.00 H new ATOM 678 N SER A 40 0.173 -1.883 5.322 1.00 0.00 N ATOM 679 CA SER A 40 0.267 -1.435 6.706 1.00 0.00 C ATOM 680 C SER A 40 1.621 -1.803 7.306 1.00 0.00 C ATOM 681 O SER A 40 2.432 -0.930 7.616 1.00 0.00 O ATOM 682 CB SER A 40 -0.859 -2.050 7.540 1.00 0.00 C ATOM 683 OG SER A 40 -1.568 -1.052 8.255 1.00 0.00 O ATOM 0 H SER A 40 -0.313 -2.771 5.198 1.00 0.00 H new ATOM 0 HA SER A 40 0.168 -0.350 6.719 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.545 -2.591 6.888 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.443 -2.776 8.239 1.00 0.00 H new ATOM 0 HG SER A 40 -2.283 -1.470 8.779 1.00 0.00 H new ATOM 689 N ASP A 41 1.858 -3.100 7.466 1.00 0.00 N ATOM 690 CA ASP A 41 3.113 -3.585 8.027 1.00 0.00 C ATOM 691 C ASP A 41 3.655 -4.753 7.211 1.00 0.00 C ATOM 692 O ASP A 41 2.900 -5.459 6.543 1.00 0.00 O ATOM 693 CB ASP A 41 2.914 -4.012 9.484 1.00 0.00 C ATOM 694 CG ASP A 41 3.373 -2.951 10.464 1.00 0.00 C ATOM 695 OD1 ASP A 41 2.759 -1.863 10.493 1.00 0.00 O ATOM 696 OD2 ASP A 41 4.348 -3.206 11.204 1.00 0.00 O ATOM 0 H ASP A 41 1.197 -3.835 7.215 1.00 0.00 H new ATOM 0 HA ASP A 41 3.838 -2.772 7.991 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.860 -4.230 9.655 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.464 -4.935 9.668 1.00 0.00 H new ATOM 701 N VAL A 42 4.969 -4.953 7.267 1.00 0.00 N ATOM 702 CA VAL A 42 5.605 -6.036 6.529 1.00 0.00 C ATOM 703 C VAL A 42 6.634 -6.764 7.388 1.00 0.00 C ATOM 704 O VAL A 42 7.323 -6.153 8.205 1.00 0.00 O ATOM 705 CB VAL A 42 6.296 -5.520 5.253 1.00 0.00 C ATOM 706 CG1 VAL A 42 5.276 -4.912 4.303 1.00 0.00 C ATOM 707 CG2 VAL A 42 7.382 -4.511 5.600 1.00 0.00 C ATOM 0 H VAL A 42 5.611 -4.380 7.815 1.00 0.00 H new ATOM 0 HA VAL A 42 4.812 -6.730 6.250 1.00 0.00 H new ATOM 0 HB VAL A 42 6.768 -6.365 4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.782 -4.553 3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.541 -5.668 4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.773 -4.079 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.858 -4.159 4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.939 -3.666 6.127 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.128 -4.985 6.238 1.00 0.00 H new ATOM 717 N LEU A 43 6.731 -8.073 7.192 1.00 0.00 N ATOM 718 CA LEU A 43 7.676 -8.893 7.942 1.00 0.00 C ATOM 719 C LEU A 43 9.112 -8.601 7.514 1.00 0.00 C ATOM 720 O LEU A 43 10.048 -8.773 8.294 1.00 0.00 O ATOM 721 CB LEU A 43 7.369 -10.380 7.745 1.00 0.00 C ATOM 722 CG LEU A 43 6.963 -10.777 6.320 1.00 0.00 C ATOM 723 CD1 LEU A 43 7.814 -11.936 5.819 1.00 0.00 C ATOM 724 CD2 LEU A 43 5.482 -11.135 6.267 1.00 0.00 C ATOM 0 H LEU A 43 6.166 -8.591 6.519 1.00 0.00 H new ATOM 0 HA LEU A 43 7.570 -8.644 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.248 -10.958 8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.567 -10.663 8.427 1.00 0.00 H new ATOM 0 HG LEU A 43 7.134 -9.923 5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.509 -12.201 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.864 -11.642 5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.680 -12.796 6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.211 -11.414 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.286 -11.972 6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.888 -10.275 6.577 1.00 0.00 H new ATOM 736 N LYS A 44 9.278 -8.161 6.269 1.00 0.00 N ATOM 737 CA LYS A 44 10.600 -7.848 5.737 1.00 0.00 C ATOM 738 C LYS A 44 11.479 -9.094 5.696 1.00 0.00 C ATOM 739 O LYS A 44 12.695 -9.015 5.867 1.00 0.00 O ATOM 740 CB LYS A 44 11.274 -6.761 6.580 1.00 0.00 C ATOM 741 CG LYS A 44 10.645 -5.387 6.416 1.00 0.00 C ATOM 742 CD LYS A 44 11.532 -4.295 6.995 1.00 0.00 C ATOM 743 CE LYS A 44 12.253 -3.522 5.902 1.00 0.00 C ATOM 744 NZ LYS A 44 11.761 -2.120 5.797 1.00 0.00 N ATOM 0 H LYS A 44 8.513 -8.013 5.611 1.00 0.00 H new ATOM 0 HA LYS A 44 10.474 -7.479 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.230 -7.048 7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.328 -6.704 6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.468 -5.191 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.674 -5.369 6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.926 -3.609 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.263 -4.739 7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.324 -3.517 6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.114 -4.028 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.277 -1.627 5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.745 -2.124 5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.917 -1.629 6.700 1.00 0.00 H new ATOM 758 N GLY A 45 10.853 -10.244 5.466 1.00 0.00 N ATOM 759 CA GLY A 45 11.592 -11.492 5.405 1.00 0.00 C ATOM 760 C GLY A 45 11.034 -12.454 4.372 1.00 0.00 C ATOM 761 O GLY A 45 11.364 -13.639 4.379 1.00 0.00 O ATOM 0 H GLY A 45 9.847 -10.334 5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.636 -11.280 5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.575 -11.968 6.385 1.00 0.00 H new ATOM 765 N GLY A 46 10.187 -11.944 3.481 1.00 0.00 N ATOM 766 CA GLY A 46 9.600 -12.783 2.452 1.00 0.00 C ATOM 767 C GLY A 46 9.673 -12.146 1.077 1.00 0.00 C ATOM 768 O GLY A 46 10.392 -11.167 0.882 1.00 0.00 O ATOM 0 H GLY A 46 9.898 -10.966 3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.115 -13.744 2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.558 -12.985 2.702 1.00 0.00 H new ATOM 772 N PRO A 47 8.933 -12.685 0.093 1.00 0.00 N ATOM 773 CA PRO A 47 8.927 -12.149 -1.273 1.00 0.00 C ATOM 774 C PRO A 47 8.555 -10.672 -1.313 1.00 0.00 C ATOM 775 O PRO A 47 9.031 -9.924 -2.169 1.00 0.00 O ATOM 776 CB PRO A 47 7.861 -12.986 -1.986 1.00 0.00 C ATOM 777 CG PRO A 47 7.762 -14.241 -1.191 1.00 0.00 C ATOM 778 CD PRO A 47 8.045 -13.853 0.233 1.00 0.00 C ATOM 0 HA PRO A 47 9.912 -12.210 -1.735 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.905 -12.463 -2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.146 -13.193 -3.017 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.771 -14.685 -1.285 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.478 -14.983 -1.543 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.131 -13.602 0.771 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.527 -14.662 0.783 1.00 0.00 H new ATOM 786 N ALA A 48 7.699 -10.257 -0.385 1.00 0.00 N ATOM 787 CA ALA A 48 7.261 -8.867 -0.316 1.00 0.00 C ATOM 788 C ALA A 48 7.987 -8.110 0.791 1.00 0.00 C ATOM 789 O ALA A 48 7.463 -7.137 1.336 1.00 0.00 O ATOM 790 CB ALA A 48 5.756 -8.803 -0.104 1.00 0.00 C ATOM 0 H ALA A 48 7.295 -10.863 0.329 1.00 0.00 H new ATOM 0 HA ALA A 48 7.508 -8.387 -1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.440 -7.761 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.250 -9.296 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.498 -9.306 0.828 1.00 0.00 H new ATOM 796 N GLU A 49 9.196 -8.558 1.121 1.00 0.00 N ATOM 797 CA GLU A 49 9.991 -7.918 2.162 1.00 0.00 C ATOM 798 C GLU A 49 10.229 -6.445 1.840 1.00 0.00 C ATOM 799 O GLU A 49 10.136 -5.585 2.716 1.00 0.00 O ATOM 800 CB GLU A 49 11.331 -8.637 2.323 1.00 0.00 C ATOM 801 CG GLU A 49 12.095 -8.802 1.019 1.00 0.00 C ATOM 802 CD GLU A 49 13.213 -7.791 0.867 1.00 0.00 C ATOM 803 OE1 GLU A 49 14.224 -7.911 1.590 1.00 0.00 O ATOM 804 OE2 GLU A 49 13.077 -6.877 0.025 1.00 0.00 O ATOM 0 H GLU A 49 9.645 -9.362 0.682 1.00 0.00 H new ATOM 0 HA GLU A 49 9.435 -7.982 3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.949 -8.082 3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.156 -9.621 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.511 -9.808 0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.404 -8.702 0.182 1.00 0.00 H new ATOM 811 N GLY A 50 10.538 -6.163 0.579 1.00 0.00 N ATOM 812 CA GLY A 50 10.785 -4.794 0.164 1.00 0.00 C ATOM 813 C GLY A 50 10.239 -4.499 -1.218 1.00 0.00 C ATOM 814 O GLY A 50 10.813 -3.706 -1.964 1.00 0.00 O ATOM 0 H GLY A 50 10.622 -6.858 -0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.331 -4.112 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.858 -4.602 0.176 1.00 0.00 H new ATOM 818 N GLN A 51 9.127 -5.140 -1.562 1.00 0.00 N ATOM 819 CA GLN A 51 8.502 -4.943 -2.864 1.00 0.00 C ATOM 820 C GLN A 51 7.238 -4.099 -2.738 1.00 0.00 C ATOM 821 O GLN A 51 6.922 -3.301 -3.620 1.00 0.00 O ATOM 822 CB GLN A 51 8.167 -6.292 -3.501 1.00 0.00 C ATOM 823 CG GLN A 51 9.393 -7.116 -3.860 1.00 0.00 C ATOM 824 CD GLN A 51 9.655 -7.154 -5.354 1.00 0.00 C ATOM 825 OE1 GLN A 51 8.723 -7.169 -6.158 1.00 0.00 O ATOM 826 NE2 GLN A 51 10.928 -7.172 -5.732 1.00 0.00 N ATOM 0 H GLN A 51 8.640 -5.801 -0.956 1.00 0.00 H new ATOM 0 HA GLN A 51 9.209 -4.413 -3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.543 -6.864 -2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.577 -6.123 -4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.265 -6.703 -3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.262 -8.134 -3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.668 -7.158 -5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.165 -7.199 -6.724 1.00 0.00 H new ATOM 835 N LEU A 52 6.519 -4.280 -1.635 1.00 0.00 N ATOM 836 CA LEU A 52 5.290 -3.535 -1.390 1.00 0.00 C ATOM 837 C LEU A 52 5.396 -2.714 -0.110 1.00 0.00 C ATOM 838 O LEU A 52 5.550 -3.264 0.981 1.00 0.00 O ATOM 839 CB LEU A 52 4.099 -4.491 -1.301 1.00 0.00 C ATOM 840 CG LEU A 52 3.804 -5.280 -2.578 1.00 0.00 C ATOM 841 CD1 LEU A 52 4.509 -6.626 -2.549 1.00 0.00 C ATOM 842 CD2 LEU A 52 2.304 -5.466 -2.757 1.00 0.00 C ATOM 0 H LEU A 52 6.767 -4.937 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 52 5.137 -2.851 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.279 -5.197 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.212 -3.917 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 52 4.183 -4.712 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.287 -7.173 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.585 -6.471 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.161 -7.201 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.114 -6.029 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.901 -6.011 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.822 -4.491 -2.825 1.00 0.00 H new ATOM 854 N GLN A 53 5.318 -1.395 -0.250 1.00 0.00 N ATOM 855 CA GLN A 53 5.407 -0.497 0.895 1.00 0.00 C ATOM 856 C GLN A 53 4.475 0.698 0.725 1.00 0.00 C ATOM 857 O GLN A 53 3.859 0.872 -0.327 1.00 0.00 O ATOM 858 CB GLN A 53 6.847 -0.013 1.080 1.00 0.00 C ATOM 859 CG GLN A 53 7.376 0.789 -0.099 1.00 0.00 C ATOM 860 CD GLN A 53 8.535 0.106 -0.798 1.00 0.00 C ATOM 861 OE1 GLN A 53 8.423 -1.203 -0.991 1.00 0.00 O flip ATOM 862 NE2 GLN A 53 9.522 0.748 -1.160 1.00 0.00 N flip ATOM 0 H GLN A 53 5.193 -0.924 -1.146 1.00 0.00 H new ATOM 0 HA GLN A 53 5.100 -1.050 1.782 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.903 0.600 1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.494 -0.876 1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.570 0.950 -0.814 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.695 1.772 0.249 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.567 1.753 -0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.295 0.275 -1.628 1.00 0.00 H new ATOM 871 N GLU A 54 4.375 1.520 1.766 1.00 0.00 N ATOM 872 CA GLU A 54 3.516 2.701 1.732 1.00 0.00 C ATOM 873 C GLU A 54 3.789 3.540 0.486 1.00 0.00 C ATOM 874 O GLU A 54 2.887 4.183 -0.051 1.00 0.00 O ATOM 875 CB GLU A 54 3.729 3.549 2.988 1.00 0.00 C ATOM 876 CG GLU A 54 5.175 3.964 3.205 1.00 0.00 C ATOM 877 CD GLU A 54 5.298 5.337 3.835 1.00 0.00 C ATOM 878 OE1 GLU A 54 4.867 6.323 3.200 1.00 0.00 O ATOM 879 OE2 GLU A 54 5.826 5.427 4.963 1.00 0.00 O ATOM 0 H GLU A 54 4.878 1.390 2.644 1.00 0.00 H new ATOM 0 HA GLU A 54 2.480 2.364 1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.109 4.443 2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.387 2.988 3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.668 3.230 3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.698 3.959 2.249 1.00 0.00 H new ATOM 886 N ASN A 55 5.037 3.527 0.031 1.00 0.00 N ATOM 887 CA ASN A 55 5.427 4.283 -1.152 1.00 0.00 C ATOM 888 C ASN A 55 4.728 3.739 -2.394 1.00 0.00 C ATOM 889 O ASN A 55 4.442 4.482 -3.333 1.00 0.00 O ATOM 890 CB ASN A 55 6.945 4.230 -1.341 1.00 0.00 C ATOM 891 CG ASN A 55 7.648 5.408 -0.700 1.00 0.00 C ATOM 892 OD1 ASN A 55 7.294 6.563 -0.939 1.00 0.00 O ATOM 893 ND2 ASN A 55 8.653 5.123 0.121 1.00 0.00 N ATOM 0 H ASN A 55 5.796 3.001 0.464 1.00 0.00 H new ATOM 0 HA ASN A 55 5.124 5.320 -1.009 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.330 3.304 -0.913 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.175 4.209 -2.406 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.164 5.876 0.582 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.913 4.151 0.291 1.00 0.00 H new ATOM 900 N ASP A 56 4.455 2.438 -2.391 1.00 0.00 N ATOM 901 CA ASP A 56 3.788 1.793 -3.515 1.00 0.00 C ATOM 902 C ASP A 56 2.295 1.647 -3.245 1.00 0.00 C ATOM 903 O ASP A 56 1.873 0.775 -2.486 1.00 0.00 O ATOM 904 CB ASP A 56 4.409 0.422 -3.791 1.00 0.00 C ATOM 905 CG ASP A 56 5.922 0.432 -3.674 1.00 0.00 C ATOM 906 OD1 ASP A 56 6.522 1.514 -3.839 1.00 0.00 O ATOM 907 OD2 ASP A 56 6.505 -0.642 -3.418 1.00 0.00 O ATOM 0 H ASP A 56 4.686 1.810 -1.621 1.00 0.00 H new ATOM 0 HA ASP A 56 3.921 2.422 -4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.999 -0.306 -3.091 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.128 0.095 -4.792 1.00 0.00 H new ATOM 912 N ARG A 57 1.499 2.509 -3.870 1.00 0.00 N ATOM 913 CA ARG A 57 0.051 2.480 -3.695 1.00 0.00 C ATOM 914 C ARG A 57 -0.573 1.335 -4.488 1.00 0.00 C ATOM 915 O ARG A 57 -0.432 1.266 -5.709 1.00 0.00 O ATOM 916 CB ARG A 57 -0.563 3.814 -4.126 1.00 0.00 C ATOM 917 CG ARG A 57 -1.422 4.464 -3.053 1.00 0.00 C ATOM 918 CD ARG A 57 -0.583 5.287 -2.085 1.00 0.00 C ATOM 919 NE ARG A 57 -1.020 6.680 -2.030 1.00 0.00 N ATOM 920 CZ ARG A 57 -0.684 7.524 -1.057 1.00 0.00 C ATOM 921 NH1 ARG A 57 0.091 7.121 -0.058 1.00 0.00 N ATOM 922 NH2 ARG A 57 -1.123 8.775 -1.084 1.00 0.00 N ATOM 0 H ARG A 57 1.832 3.236 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.159 2.318 -2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.237 4.500 -4.404 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.169 3.654 -5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.169 5.104 -3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.962 3.694 -2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.644 4.848 -1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.463 5.247 -2.388 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.617 7.026 -2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.432 6.160 -0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.345 7.772 0.685 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.718 9.090 -1.850 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.866 9.422 -0.339 1.00 0.00 H new ATOM 936 N VAL A 58 -1.264 0.442 -3.788 1.00 0.00 N ATOM 937 CA VAL A 58 -1.912 -0.697 -4.428 1.00 0.00 C ATOM 938 C VAL A 58 -3.205 -0.271 -5.118 1.00 0.00 C ATOM 939 O VAL A 58 -4.072 0.350 -4.504 1.00 0.00 O ATOM 940 CB VAL A 58 -2.228 -1.811 -3.410 1.00 0.00 C ATOM 941 CG1 VAL A 58 -2.760 -3.047 -4.118 1.00 0.00 C ATOM 942 CG2 VAL A 58 -0.993 -2.150 -2.587 1.00 0.00 C ATOM 0 H VAL A 58 -1.390 0.485 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.214 -1.084 -5.171 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.000 -1.448 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.977 -3.822 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.672 -2.793 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.012 -3.413 -4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.236 -2.938 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.197 -2.492 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.660 -1.263 -2.048 1.00 0.00 H new ATOM 952 N ALA A 59 -3.324 -0.606 -6.399 1.00 0.00 N ATOM 953 CA ALA A 59 -4.510 -0.253 -7.173 1.00 0.00 C ATOM 954 C ALA A 59 -5.308 -1.492 -7.565 1.00 0.00 C ATOM 955 O ALA A 59 -6.520 -1.419 -7.769 1.00 0.00 O ATOM 956 CB ALA A 59 -4.112 0.536 -8.412 1.00 0.00 C ATOM 0 H ALA A 59 -2.616 -1.120 -6.922 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.149 0.369 -6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.005 0.794 -8.982 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.597 1.449 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.449 -0.068 -9.031 1.00 0.00 H new ATOM 962 N MET A 60 -4.627 -2.629 -7.673 1.00 0.00 N ATOM 963 CA MET A 60 -5.283 -3.877 -8.045 1.00 0.00 C ATOM 964 C MET A 60 -4.609 -5.074 -7.384 1.00 0.00 C ATOM 965 O MET A 60 -3.421 -5.032 -7.060 1.00 0.00 O ATOM 966 CB MET A 60 -5.274 -4.047 -9.565 1.00 0.00 C ATOM 967 CG MET A 60 -6.326 -5.019 -10.074 1.00 0.00 C ATOM 968 SD MET A 60 -6.129 -5.401 -11.825 1.00 0.00 S ATOM 969 CE MET A 60 -7.415 -4.380 -12.540 1.00 0.00 C ATOM 0 H MET A 60 -3.624 -2.711 -7.509 1.00 0.00 H new ATOM 0 HA MET A 60 -6.314 -3.831 -7.695 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.433 -3.075 -10.032 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.289 -4.394 -9.878 1.00 0.00 H new ATOM 0 HG2 MET A 60 -6.272 -5.942 -9.496 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.317 -4.596 -9.908 1.00 0.00 H new ATOM 0 HE1 MET A 60 -7.420 -4.507 -13.623 1.00 0.00 H new ATOM 0 HE2 MET A 60 -8.382 -4.677 -12.135 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.226 -3.334 -12.298 1.00 0.00 H new ATOM 979 N VAL A 61 -5.375 -6.142 -7.189 1.00 0.00 N ATOM 980 CA VAL A 61 -4.858 -7.356 -6.570 1.00 0.00 C ATOM 981 C VAL A 61 -5.446 -8.600 -7.229 1.00 0.00 C ATOM 982 O VAL A 61 -6.659 -8.806 -7.220 1.00 0.00 O ATOM 983 CB VAL A 61 -5.169 -7.392 -5.060 1.00 0.00 C ATOM 984 CG1 VAL A 61 -6.673 -7.392 -4.822 1.00 0.00 C ATOM 985 CG2 VAL A 61 -4.518 -8.602 -4.405 1.00 0.00 C ATOM 0 H VAL A 61 -6.359 -6.191 -7.452 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.777 -7.349 -6.711 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.752 -6.494 -4.603 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.872 -7.418 -3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.109 -6.490 -5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.116 -8.269 -5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.750 -8.608 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.899 -9.514 -4.865 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.438 -8.552 -4.541 1.00 0.00 H new ATOM 995 N ASN A 62 -4.576 -9.429 -7.799 1.00 0.00 N ATOM 996 CA ASN A 62 -5.007 -10.655 -8.461 1.00 0.00 C ATOM 997 C ASN A 62 -6.064 -10.364 -9.523 1.00 0.00 C ATOM 998 O ASN A 62 -6.952 -11.181 -9.770 1.00 0.00 O ATOM 999 CB ASN A 62 -5.558 -11.647 -7.434 1.00 0.00 C ATOM 1000 CG ASN A 62 -5.087 -13.066 -7.689 1.00 0.00 C ATOM 1001 OD1 ASN A 62 -5.789 -13.862 -8.312 1.00 0.00 O ATOM 1002 ND2 ASN A 62 -3.892 -13.388 -7.208 1.00 0.00 N ATOM 0 H ASN A 62 -3.568 -9.273 -7.815 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.139 -11.094 -8.953 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.250 -11.339 -6.435 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.647 -11.620 -7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.522 -14.328 -7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.344 -12.695 -6.697 1.00 0.00 H new ATOM 1009 N GLY A 63 -5.963 -9.195 -10.148 1.00 0.00 N ATOM 1010 CA GLY A 63 -6.915 -8.818 -11.177 1.00 0.00 C ATOM 1011 C GLY A 63 -8.053 -7.971 -10.638 1.00 0.00 C ATOM 1012 O GLY A 63 -8.653 -7.188 -11.374 1.00 0.00 O ATOM 0 H GLY A 63 -5.239 -8.502 -9.960 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.397 -8.267 -11.962 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.323 -9.718 -11.636 1.00 0.00 H new ATOM 1016 N VAL A 64 -8.350 -8.127 -9.352 1.00 0.00 N ATOM 1017 CA VAL A 64 -9.425 -7.371 -8.720 1.00 0.00 C ATOM 1018 C VAL A 64 -8.929 -6.011 -8.238 1.00 0.00 C ATOM 1019 O VAL A 64 -7.935 -5.922 -7.517 1.00 0.00 O ATOM 1020 CB VAL A 64 -10.027 -8.137 -7.527 1.00 0.00 C ATOM 1021 CG1 VAL A 64 -11.251 -7.412 -6.987 1.00 0.00 C ATOM 1022 CG2 VAL A 64 -10.377 -9.563 -7.929 1.00 0.00 C ATOM 0 H VAL A 64 -7.862 -8.769 -8.728 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.197 -7.228 -9.476 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.281 -8.180 -6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.662 -7.969 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.966 -6.413 -6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.003 -7.334 -7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.801 -10.089 -7.073 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.105 -9.544 -8.740 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.476 -10.079 -8.262 1.00 0.00 H new ATOM 1032 N SER A 65 -9.626 -4.955 -8.642 1.00 0.00 N ATOM 1033 CA SER A 65 -9.256 -3.598 -8.253 1.00 0.00 C ATOM 1034 C SER A 65 -9.236 -3.451 -6.734 1.00 0.00 C ATOM 1035 O SER A 65 -10.102 -3.979 -6.037 1.00 0.00 O ATOM 1036 CB SER A 65 -10.230 -2.588 -8.861 1.00 0.00 C ATOM 1037 OG SER A 65 -9.736 -2.077 -10.088 1.00 0.00 O ATOM 0 H SER A 65 -10.451 -5.012 -9.239 1.00 0.00 H new ATOM 0 HA SER A 65 -8.253 -3.400 -8.631 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.197 -3.064 -9.025 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.393 -1.768 -8.161 1.00 0.00 H new ATOM 0 HG SER A 65 -10.378 -1.435 -10.457 1.00 0.00 H new ATOM 1043 N MET A 66 -8.239 -2.730 -6.229 1.00 0.00 N ATOM 1044 CA MET A 66 -8.105 -2.511 -4.793 1.00 0.00 C ATOM 1045 C MET A 66 -8.383 -1.053 -4.437 1.00 0.00 C ATOM 1046 O MET A 66 -7.836 -0.526 -3.468 1.00 0.00 O ATOM 1047 CB MET A 66 -6.701 -2.901 -4.325 1.00 0.00 C ATOM 1048 CG MET A 66 -6.587 -4.353 -3.891 1.00 0.00 C ATOM 1049 SD MET A 66 -5.425 -4.582 -2.531 1.00 0.00 S ATOM 1050 CE MET A 66 -6.142 -6.001 -1.706 1.00 0.00 C ATOM 0 H MET A 66 -7.513 -2.288 -6.793 1.00 0.00 H new ATOM 0 HA MET A 66 -8.838 -3.138 -4.286 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.993 -2.715 -5.133 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.412 -2.258 -3.494 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.569 -4.716 -3.589 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.270 -4.958 -4.740 1.00 0.00 H new ATOM 0 HE1 MET A 66 -6.009 -5.901 -0.629 1.00 0.00 H new ATOM 0 HE2 MET A 66 -7.206 -6.057 -1.937 1.00 0.00 H new ATOM 0 HE3 MET A 66 -5.648 -6.910 -2.050 1.00 0.00 H new ATOM 1060 N ASP A 67 -9.236 -0.408 -5.226 1.00 0.00 N ATOM 1061 CA ASP A 67 -9.585 0.989 -4.993 1.00 0.00 C ATOM 1062 C ASP A 67 -11.087 1.148 -4.769 1.00 0.00 C ATOM 1063 O ASP A 67 -11.653 2.209 -5.030 1.00 0.00 O ATOM 1064 CB ASP A 67 -9.141 1.850 -6.176 1.00 0.00 C ATOM 1065 CG ASP A 67 -9.590 1.280 -7.507 1.00 0.00 C ATOM 1066 OD1 ASP A 67 -10.699 0.707 -7.564 1.00 0.00 O ATOM 1067 OD2 ASP A 67 -8.833 1.406 -8.493 1.00 0.00 O ATOM 0 H ASP A 67 -9.698 -0.830 -6.032 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.066 1.321 -4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.544 2.856 -6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.055 1.939 -6.170 1.00 0.00 H new ATOM 1072 N ASN A 68 -11.726 0.086 -4.284 1.00 0.00 N ATOM 1073 CA ASN A 68 -13.162 0.111 -4.025 1.00 0.00 C ATOM 1074 C ASN A 68 -13.635 -1.225 -3.461 1.00 0.00 C ATOM 1075 O ASN A 68 -14.715 -1.707 -3.801 1.00 0.00 O ATOM 1076 CB ASN A 68 -13.929 0.436 -5.308 1.00 0.00 C ATOM 1077 CG ASN A 68 -15.188 1.238 -5.043 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -16.270 0.547 -4.708 1.00 0.00 O flip ATOM 1079 ND2 ASN A 68 -15.187 2.465 -5.139 1.00 0.00 N flip ATOM 0 H ASN A 68 -11.273 -0.801 -4.063 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.359 0.888 -3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.281 0.995 -5.983 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.193 -0.492 -5.815 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.331 2.955 -5.400 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -16.042 2.991 -4.958 1.00 0.00 H new ATOM 1086 N VAL A 69 -12.819 -1.819 -2.597 1.00 0.00 N ATOM 1087 CA VAL A 69 -13.156 -3.100 -1.986 1.00 0.00 C ATOM 1088 C VAL A 69 -12.907 -3.078 -0.482 1.00 0.00 C ATOM 1089 O VAL A 69 -11.956 -2.456 -0.009 1.00 0.00 O ATOM 1090 CB VAL A 69 -12.343 -4.251 -2.611 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -12.716 -4.436 -4.074 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -10.851 -3.994 -2.461 1.00 0.00 C ATOM 0 H VAL A 69 -11.921 -1.435 -2.304 1.00 0.00 H new ATOM 0 HA VAL A 69 -14.217 -3.268 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.584 -5.172 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.132 -5.253 -4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.778 -4.671 -4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.506 -3.517 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.293 -4.817 -2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.590 -3.063 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.599 -3.918 -1.403 1.00 0.00 H new ATOM 1102 N GLU A 70 -13.769 -3.762 0.263 1.00 0.00 N ATOM 1103 CA GLU A 70 -13.644 -3.823 1.715 1.00 0.00 C ATOM 1104 C GLU A 70 -12.443 -4.672 2.123 1.00 0.00 C ATOM 1105 O GLU A 70 -12.015 -5.557 1.383 1.00 0.00 O ATOM 1106 CB GLU A 70 -14.922 -4.389 2.339 1.00 0.00 C ATOM 1107 CG GLU A 70 -15.450 -5.626 1.632 1.00 0.00 C ATOM 1108 CD GLU A 70 -16.323 -6.482 2.529 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -17.445 -6.043 2.859 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -15.884 -7.590 2.901 1.00 0.00 O ATOM 0 H GLU A 70 -14.561 -4.282 -0.114 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.491 -2.808 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.729 -4.633 3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.693 -3.619 2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.023 -5.322 0.756 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.610 -6.221 1.273 1.00 0.00 H new ATOM 1117 N HIS A 71 -11.901 -4.388 3.305 1.00 0.00 N ATOM 1118 CA HIS A 71 -10.742 -5.117 3.821 1.00 0.00 C ATOM 1119 C HIS A 71 -10.900 -6.625 3.644 1.00 0.00 C ATOM 1120 O HIS A 71 -10.012 -7.293 3.113 1.00 0.00 O ATOM 1121 CB HIS A 71 -10.533 -4.788 5.300 1.00 0.00 C ATOM 1122 CG HIS A 71 -9.157 -5.109 5.798 1.00 0.00 C ATOM 1123 ND1 HIS A 71 -8.223 -5.787 5.043 1.00 0.00 N ATOM 1124 CD2 HIS A 71 -8.558 -4.842 6.982 1.00 0.00 C ATOM 1125 CE1 HIS A 71 -7.110 -5.923 5.742 1.00 0.00 C ATOM 1126 NE2 HIS A 71 -7.287 -5.358 6.921 1.00 0.00 N ATOM 0 H HIS A 71 -12.246 -3.656 3.926 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.870 -4.802 3.248 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.729 -3.728 5.459 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -11.263 -5.340 5.893 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.998 -4.320 7.819 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.209 -6.413 5.405 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.592 -5.312 7.666 1.00 0.00 H new ATOM 1135 N ALA A 72 -12.032 -7.156 4.097 1.00 0.00 N ATOM 1136 CA ALA A 72 -12.302 -8.587 3.993 1.00 0.00 C ATOM 1137 C ALA A 72 -12.181 -9.076 2.551 1.00 0.00 C ATOM 1138 O ALA A 72 -11.495 -10.060 2.276 1.00 0.00 O ATOM 1139 CB ALA A 72 -13.686 -8.901 4.543 1.00 0.00 C ATOM 0 H ALA A 72 -12.777 -6.618 4.539 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.554 -9.113 4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.876 -9.971 4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.737 -8.603 5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.437 -8.354 3.973 1.00 0.00 H new ATOM 1145 N PHE A 73 -12.855 -8.384 1.639 1.00 0.00 N ATOM 1146 CA PHE A 73 -12.827 -8.749 0.227 1.00 0.00 C ATOM 1147 C PHE A 73 -11.408 -8.697 -0.329 1.00 0.00 C ATOM 1148 O PHE A 73 -11.045 -9.484 -1.203 1.00 0.00 O ATOM 1149 CB PHE A 73 -13.737 -7.818 -0.579 1.00 0.00 C ATOM 1150 CG PHE A 73 -14.116 -8.366 -1.924 1.00 0.00 C ATOM 1151 CD1 PHE A 73 -14.965 -9.456 -2.029 1.00 0.00 C ATOM 1152 CD2 PHE A 73 -13.626 -7.791 -3.084 1.00 0.00 C ATOM 1153 CE1 PHE A 73 -15.317 -9.963 -3.265 1.00 0.00 C ATOM 1154 CE2 PHE A 73 -13.974 -8.292 -4.325 1.00 0.00 C ATOM 1155 CZ PHE A 73 -14.821 -9.379 -4.414 1.00 0.00 C ATOM 0 H PHE A 73 -13.428 -7.567 1.852 1.00 0.00 H new ATOM 0 HA PHE A 73 -13.191 -9.773 0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -14.644 -7.624 -0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -13.235 -6.860 -0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -15.357 -9.915 -1.133 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -12.964 -6.940 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -15.978 -10.814 -3.333 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -13.584 -7.834 -5.222 1.00 0.00 H new ATOM 0 HZ PHE A 73 -15.095 -9.772 -5.382 1.00 0.00 H new ATOM 1165 N ALA A 74 -10.609 -7.765 0.178 1.00 0.00 N ATOM 1166 CA ALA A 74 -9.232 -7.612 -0.274 1.00 0.00 C ATOM 1167 C ALA A 74 -8.345 -8.738 0.249 1.00 0.00 C ATOM 1168 O ALA A 74 -7.457 -9.219 -0.455 1.00 0.00 O ATOM 1169 CB ALA A 74 -8.681 -6.261 0.161 1.00 0.00 C ATOM 0 H ALA A 74 -10.891 -7.104 0.902 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.230 -7.664 -1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.652 -6.160 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.288 -5.465 -0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.709 -6.190 1.248 1.00 0.00 H new ATOM 1175 N VAL A 75 -8.587 -9.150 1.490 1.00 0.00 N ATOM 1176 CA VAL A 75 -7.805 -10.217 2.106 1.00 0.00 C ATOM 1177 C VAL A 75 -8.140 -11.577 1.501 1.00 0.00 C ATOM 1178 O VAL A 75 -7.248 -12.372 1.209 1.00 0.00 O ATOM 1179 CB VAL A 75 -8.035 -10.275 3.627 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -7.048 -11.230 4.281 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -7.931 -8.884 4.239 1.00 0.00 C ATOM 0 H VAL A 75 -9.317 -8.762 2.088 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.758 -9.988 1.910 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.042 -10.650 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.226 -11.258 5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.179 -12.229 3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.031 -10.888 4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.097 -8.946 5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.939 -8.476 4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.683 -8.233 3.793 1.00 0.00 H new ATOM 1191 N GLN A 76 -9.430 -11.840 1.322 1.00 0.00 N ATOM 1192 CA GLN A 76 -9.875 -13.110 0.755 1.00 0.00 C ATOM 1193 C GLN A 76 -9.419 -13.254 -0.695 1.00 0.00 C ATOM 1194 O GLN A 76 -9.273 -14.367 -1.200 1.00 0.00 O ATOM 1195 CB GLN A 76 -11.398 -13.225 0.839 1.00 0.00 C ATOM 1196 CG GLN A 76 -12.135 -12.099 0.132 1.00 0.00 C ATOM 1197 CD GLN A 76 -13.241 -12.603 -0.774 1.00 0.00 C ATOM 1198 OE1 GLN A 76 -14.416 -12.583 -0.409 1.00 0.00 O ATOM 1199 NE2 GLN A 76 -12.868 -13.060 -1.964 1.00 0.00 N ATOM 0 H GLN A 76 -10.183 -11.195 1.560 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.424 -13.914 1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.706 -14.177 0.407 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.695 -13.240 1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.559 -11.424 0.876 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.425 -11.518 -0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.882 -13.058 -2.225 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -13.568 -13.413 -2.617 1.00 0.00 H new ATOM 1208 N GLN A 77 -9.196 -12.124 -1.360 1.00 0.00 N ATOM 1209 CA GLN A 77 -8.756 -12.133 -2.751 1.00 0.00 C ATOM 1210 C GLN A 77 -7.305 -12.592 -2.862 1.00 0.00 C ATOM 1211 O GLN A 77 -6.983 -13.478 -3.653 1.00 0.00 O ATOM 1212 CB GLN A 77 -8.914 -10.741 -3.366 1.00 0.00 C ATOM 1213 CG GLN A 77 -9.504 -10.758 -4.767 1.00 0.00 C ATOM 1214 CD GLN A 77 -10.912 -11.320 -4.800 1.00 0.00 C ATOM 1215 OE1 GLN A 77 -11.165 -12.355 -5.416 1.00 0.00 O ATOM 1216 NE2 GLN A 77 -11.837 -10.639 -4.134 1.00 0.00 N ATOM 0 H GLN A 77 -9.312 -11.193 -0.959 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.381 -12.838 -3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.551 -10.138 -2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.939 -10.254 -3.397 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.512 -9.744 -5.166 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.864 -11.352 -5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.583 -9.785 -3.637 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.802 -10.969 -4.119 1.00 0.00 H new ATOM 1225 N LEU A 78 -6.434 -11.982 -2.064 1.00 0.00 N ATOM 1226 CA LEU A 78 -5.017 -12.331 -2.073 1.00 0.00 C ATOM 1227 C LEU A 78 -4.787 -13.688 -1.416 1.00 0.00 C ATOM 1228 O LEU A 78 -3.873 -14.424 -1.790 1.00 0.00 O ATOM 1229 CB LEU A 78 -4.197 -11.255 -1.356 1.00 0.00 C ATOM 1230 CG LEU A 78 -4.626 -10.960 0.083 1.00 0.00 C ATOM 1231 CD1 LEU A 78 -3.838 -11.817 1.061 1.00 0.00 C ATOM 1232 CD2 LEU A 78 -4.445 -9.483 0.401 1.00 0.00 C ATOM 0 H LEU A 78 -6.684 -11.245 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.691 -12.391 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.151 -11.561 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.256 -10.332 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.683 -11.207 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.157 -11.594 2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.017 -12.871 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.774 -11.602 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.755 -9.291 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.396 -9.211 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.054 -8.887 -0.279 1.00 0.00 H new ATOM 1244 N ARG A 79 -5.624 -14.012 -0.436 1.00 0.00 N ATOM 1245 CA ARG A 79 -5.516 -15.281 0.276 1.00 0.00 C ATOM 1246 C ARG A 79 -5.856 -16.456 -0.640 1.00 0.00 C ATOM 1247 O ARG A 79 -5.413 -17.581 -0.410 1.00 0.00 O ATOM 1248 CB ARG A 79 -6.444 -15.284 1.493 1.00 0.00 C ATOM 1249 CG ARG A 79 -5.765 -14.833 2.776 1.00 0.00 C ATOM 1250 CD ARG A 79 -5.617 -15.979 3.765 1.00 0.00 C ATOM 1251 NE ARG A 79 -4.415 -15.844 4.583 1.00 0.00 N ATOM 1252 CZ ARG A 79 -4.317 -15.029 5.631 1.00 0.00 C ATOM 1253 NH1 ARG A 79 -5.349 -14.276 5.992 1.00 0.00 N ATOM 1254 NH2 ARG A 79 -3.186 -14.967 6.319 1.00 0.00 N ATOM 0 H ARG A 79 -6.385 -13.413 -0.116 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.485 -15.394 0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.294 -14.632 1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.840 -16.290 1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.782 -14.423 2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.345 -14.031 3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.494 -16.015 4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.582 -16.924 3.223 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.602 -16.408 4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.222 -14.320 5.466 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.269 -13.653 6.796 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.390 -15.544 6.046 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.111 -14.342 7.122 1.00 0.00 H new ATOM 1268 N LYS A 80 -6.646 -16.187 -1.674 1.00 0.00 N ATOM 1269 CA LYS A 80 -7.048 -17.222 -2.619 1.00 0.00 C ATOM 1270 C LYS A 80 -5.843 -17.784 -3.370 1.00 0.00 C ATOM 1271 O LYS A 80 -5.865 -18.926 -3.827 1.00 0.00 O ATOM 1272 CB LYS A 80 -8.066 -16.663 -3.615 1.00 0.00 C ATOM 1273 CG LYS A 80 -8.650 -17.714 -4.546 1.00 0.00 C ATOM 1274 CD LYS A 80 -8.857 -17.164 -5.949 1.00 0.00 C ATOM 1275 CE LYS A 80 -10.217 -17.553 -6.506 1.00 0.00 C ATOM 1276 NZ LYS A 80 -10.121 -18.691 -7.462 1.00 0.00 N ATOM 0 H LYS A 80 -7.021 -15.261 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.506 -18.033 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.877 -16.187 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.588 -15.886 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.984 -18.576 -4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.602 -18.065 -4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.767 -16.078 -5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.073 -17.538 -6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.882 -17.823 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.663 -16.694 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.069 -18.925 -7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.507 -18.425 -8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.719 -19.519 -6.977 1.00 0.00 H new ATOM 1290 N SER A 81 -4.794 -16.976 -3.496 1.00 0.00 N ATOM 1291 CA SER A 81 -3.584 -17.399 -4.194 1.00 0.00 C ATOM 1292 C SER A 81 -3.013 -18.672 -3.573 1.00 0.00 C ATOM 1293 O SER A 81 -3.241 -19.773 -4.075 1.00 0.00 O ATOM 1294 CB SER A 81 -2.537 -16.284 -4.167 1.00 0.00 C ATOM 1295 OG SER A 81 -2.902 -15.219 -5.029 1.00 0.00 O ATOM 0 H SER A 81 -4.757 -16.027 -3.125 1.00 0.00 H new ATOM 0 HA SER A 81 -3.847 -17.612 -5.230 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.426 -15.910 -3.149 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.568 -16.683 -4.468 1.00 0.00 H new ATOM 0 HG SER A 81 -3.149 -14.436 -4.495 1.00 0.00 H new ATOM 1301 N GLY A 82 -2.271 -18.517 -2.479 1.00 0.00 N ATOM 1302 CA GLY A 82 -1.685 -19.666 -1.812 1.00 0.00 C ATOM 1303 C GLY A 82 -0.270 -19.956 -2.276 1.00 0.00 C ATOM 1304 O GLY A 82 0.539 -20.493 -1.519 1.00 0.00 O ATOM 0 H GLY A 82 -2.066 -17.618 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.681 -19.493 -0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.308 -20.542 -1.992 1.00 0.00 H new ATOM 1308 N LYS A 83 0.030 -19.604 -3.522 1.00 0.00 N ATOM 1309 CA LYS A 83 1.358 -19.834 -4.082 1.00 0.00 C ATOM 1310 C LYS A 83 1.560 -19.027 -5.361 1.00 0.00 C ATOM 1311 O LYS A 83 2.309 -19.429 -6.251 1.00 0.00 O ATOM 1312 CB LYS A 83 1.562 -21.325 -4.365 1.00 0.00 C ATOM 1313 CG LYS A 83 2.776 -21.917 -3.668 1.00 0.00 C ATOM 1314 CD LYS A 83 3.957 -22.046 -4.618 1.00 0.00 C ATOM 1315 CE LYS A 83 4.804 -20.784 -4.631 1.00 0.00 C ATOM 1316 NZ LYS A 83 6.227 -21.066 -4.291 1.00 0.00 N ATOM 0 H LYS A 83 -0.627 -19.159 -4.163 1.00 0.00 H new ATOM 0 HA LYS A 83 2.096 -19.505 -3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.672 -21.871 -4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.664 -21.471 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.055 -21.287 -2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.523 -22.898 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.573 -22.895 -4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.594 -22.252 -5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.751 -20.322 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.396 -20.066 -3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.771 -20.180 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.280 -21.484 -3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.624 -21.731 -4.984 1.00 0.00 H new ATOM 1330 N ASN A 84 0.884 -17.884 -5.445 1.00 0.00 N ATOM 1331 CA ASN A 84 0.984 -17.013 -6.611 1.00 0.00 C ATOM 1332 C ASN A 84 0.015 -15.841 -6.483 1.00 0.00 C ATOM 1333 O ASN A 84 -1.070 -15.852 -7.064 1.00 0.00 O ATOM 1334 CB ASN A 84 0.692 -17.798 -7.895 1.00 0.00 C ATOM 1335 CG ASN A 84 1.743 -17.565 -8.965 1.00 0.00 C ATOM 1336 OD1 ASN A 84 1.882 -16.458 -9.484 1.00 0.00 O ATOM 1337 ND2 ASN A 84 2.486 -18.613 -9.301 1.00 0.00 N ATOM 0 H ASN A 84 0.259 -17.539 -4.716 1.00 0.00 H new ATOM 0 HA ASN A 84 2.001 -16.625 -6.663 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.642 -18.862 -7.664 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.286 -17.509 -8.280 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.207 -18.519 -10.016 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.336 -19.512 -8.844 1.00 0.00 H new ATOM 1344 N ALA A 85 0.414 -14.833 -5.715 1.00 0.00 N ATOM 1345 CA ALA A 85 -0.420 -13.657 -5.508 1.00 0.00 C ATOM 1346 C ALA A 85 0.215 -12.418 -6.123 1.00 0.00 C ATOM 1347 O ALA A 85 1.241 -11.932 -5.647 1.00 0.00 O ATOM 1348 CB ALA A 85 -0.667 -13.441 -4.021 1.00 0.00 C ATOM 0 H ALA A 85 1.309 -14.808 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.375 -13.828 -6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.292 -12.559 -3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.172 -14.313 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.285 -13.296 -3.511 1.00 0.00 H new ATOM 1354 N LYS A 86 -0.400 -11.908 -7.185 1.00 0.00 N ATOM 1355 CA LYS A 86 0.110 -10.722 -7.861 1.00 0.00 C ATOM 1356 C LYS A 86 -0.578 -9.466 -7.337 1.00 0.00 C ATOM 1357 O LYS A 86 -1.784 -9.462 -7.095 1.00 0.00 O ATOM 1358 CB LYS A 86 -0.079 -10.845 -9.376 1.00 0.00 C ATOM 1359 CG LYS A 86 -1.471 -10.468 -9.860 1.00 0.00 C ATOM 1360 CD LYS A 86 -1.845 -11.224 -11.125 1.00 0.00 C ATOM 1361 CE LYS A 86 -3.193 -10.776 -11.665 1.00 0.00 C ATOM 1362 NZ LYS A 86 -3.051 -9.749 -12.733 1.00 0.00 N ATOM 0 H LYS A 86 -1.250 -12.296 -7.595 1.00 0.00 H new ATOM 0 HA LYS A 86 1.177 -10.641 -7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.652 -10.210 -9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.133 -11.871 -9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.200 -10.682 -9.078 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.513 -9.396 -10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.078 -11.068 -11.884 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.873 -12.293 -10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.730 -11.638 -12.060 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.794 -10.372 -10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.993 -9.470 -13.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.561 -8.915 -12.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.499 -10.143 -13.522 1.00 0.00 H new ATOM 1376 N ILE A 87 0.198 -8.404 -7.161 1.00 0.00 N ATOM 1377 CA ILE A 87 -0.338 -7.144 -6.664 1.00 0.00 C ATOM 1378 C ILE A 87 0.057 -5.983 -7.566 1.00 0.00 C ATOM 1379 O ILE A 87 1.212 -5.866 -7.976 1.00 0.00 O ATOM 1380 CB ILE A 87 0.146 -6.853 -5.230 1.00 0.00 C ATOM 1381 CG1 ILE A 87 -0.018 -8.094 -4.350 1.00 0.00 C ATOM 1382 CG2 ILE A 87 -0.617 -5.675 -4.643 1.00 0.00 C ATOM 1383 CD1 ILE A 87 -1.454 -8.549 -4.207 1.00 0.00 C ATOM 0 H ILE A 87 1.199 -8.390 -7.355 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.423 -7.244 -6.660 1.00 0.00 H new ATOM 0 HB ILE A 87 1.204 -6.594 -5.265 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.572 -8.908 -4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.388 -7.884 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.264 -5.481 -3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.453 -4.791 -5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.682 -5.907 -4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.494 -9.433 -3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.045 -7.751 -3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.858 -8.791 -5.190 1.00 0.00 H new ATOM 1395 N THR A 88 -0.909 -5.124 -7.868 1.00 0.00 N ATOM 1396 CA THR A 88 -0.662 -3.966 -8.718 1.00 0.00 C ATOM 1397 C THR A 88 -0.444 -2.722 -7.868 1.00 0.00 C ATOM 1398 O THR A 88 -1.351 -2.268 -7.170 1.00 0.00 O ATOM 1399 CB THR A 88 -1.835 -3.748 -9.675 1.00 0.00 C ATOM 1400 OG1 THR A 88 -2.123 -4.935 -10.395 1.00 0.00 O ATOM 1401 CG2 THR A 88 -1.587 -2.647 -10.684 1.00 0.00 C ATOM 0 H THR A 88 -1.870 -5.207 -7.537 1.00 0.00 H new ATOM 0 HA THR A 88 0.238 -4.153 -9.303 1.00 0.00 H new ATOM 0 HB THR A 88 -2.674 -3.457 -9.043 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.521 -5.596 -9.791 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.458 -2.544 -11.332 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.411 -1.707 -10.161 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.714 -2.896 -11.287 1.00 0.00 H new ATOM 1409 N ILE A 89 0.765 -2.175 -7.927 1.00 0.00 N ATOM 1410 CA ILE A 89 1.098 -0.984 -7.155 1.00 0.00 C ATOM 1411 C ILE A 89 1.620 0.128 -8.054 1.00 0.00 C ATOM 1412 O ILE A 89 1.993 -0.111 -9.203 1.00 0.00 O ATOM 1413 CB ILE A 89 2.148 -1.289 -6.069 1.00 0.00 C ATOM 1414 CG1 ILE A 89 3.357 -2.006 -6.676 1.00 0.00 C ATOM 1415 CG2 ILE A 89 1.533 -2.126 -4.959 1.00 0.00 C ATOM 1416 CD1 ILE A 89 4.277 -1.092 -7.457 1.00 0.00 C ATOM 0 H ILE A 89 1.528 -2.536 -8.499 1.00 0.00 H new ATOM 0 HA ILE A 89 0.177 -0.655 -6.674 1.00 0.00 H new ATOM 0 HB ILE A 89 2.489 -0.345 -5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.925 -2.482 -5.877 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.005 -2.801 -7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.287 -2.333 -4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.704 -1.580 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.166 -3.066 -5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.110 -1.670 -7.857 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.725 -0.635 -8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.659 -0.312 -6.799 1.00 0.00 H new ATOM 1428 N ARG A 90 1.645 1.346 -7.524 1.00 0.00 N ATOM 1429 CA ARG A 90 2.123 2.494 -8.282 1.00 0.00 C ATOM 1430 C ARG A 90 3.017 3.387 -7.428 1.00 0.00 C ATOM 1431 O ARG A 90 2.837 3.485 -6.213 1.00 0.00 O ATOM 1432 CB ARG A 90 0.945 3.305 -8.829 1.00 0.00 C ATOM 1433 CG ARG A 90 -0.226 3.415 -7.863 1.00 0.00 C ATOM 1434 CD ARG A 90 -1.399 2.550 -8.300 1.00 0.00 C ATOM 1435 NE ARG A 90 -2.605 3.340 -8.536 1.00 0.00 N ATOM 1436 CZ ARG A 90 -2.837 4.028 -9.653 1.00 0.00 C ATOM 1437 NH1 ARG A 90 -1.947 4.029 -10.638 1.00 0.00 N ATOM 1438 NH2 ARG A 90 -3.962 4.716 -9.784 1.00 0.00 N ATOM 0 H ARG A 90 1.341 1.562 -6.575 1.00 0.00 H new ATOM 0 HA ARG A 90 2.713 2.117 -9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.292 4.307 -9.081 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.598 2.846 -9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.096 3.115 -6.866 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.546 4.455 -7.796 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.134 2.013 -9.211 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.601 1.800 -7.535 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.312 3.366 -7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.080 3.501 -10.542 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.131 4.558 -11.491 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.649 4.718 -9.030 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.141 5.243 -10.639 1.00 0.00 H new ATOM 1452 N ARG A 91 3.981 4.034 -8.075 1.00 0.00 N ATOM 1453 CA ARG A 91 4.909 4.923 -7.384 1.00 0.00 C ATOM 1454 C ARG A 91 5.150 6.193 -8.196 1.00 0.00 C ATOM 1455 O ARG A 91 4.910 6.225 -9.403 1.00 0.00 O ATOM 1456 CB ARG A 91 6.238 4.210 -7.129 1.00 0.00 C ATOM 1457 CG ARG A 91 6.101 2.940 -6.307 1.00 0.00 C ATOM 1458 CD ARG A 91 5.859 1.724 -7.188 1.00 0.00 C ATOM 1459 NE ARG A 91 7.066 1.320 -7.909 1.00 0.00 N ATOM 1460 CZ ARG A 91 7.345 1.682 -9.161 1.00 0.00 C ATOM 1461 NH1 ARG A 91 6.514 2.464 -9.840 1.00 0.00 N ATOM 1462 NH2 ARG A 91 8.464 1.262 -9.735 1.00 0.00 N ATOM 0 H ARG A 91 4.140 3.959 -9.080 1.00 0.00 H new ATOM 0 HA ARG A 91 4.464 5.200 -6.428 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.698 3.965 -8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.914 4.893 -6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.005 2.788 -5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.276 3.049 -5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.510 0.895 -6.573 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.067 1.946 -7.903 1.00 0.00 H new ATOM 0 HE ARG A 91 7.736 0.724 -7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.653 2.793 -9.404 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.737 2.735 -10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.109 0.664 -9.219 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.680 1.537 -10.693 1.00 0.00 H new