USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 856 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 13 THR OG1 : rot 180:sc=-0.00204 USER MOD Set 1.2: A 134 MET CE :methyl 146:sc= -0.284 (180deg=-1.01) USER MOD Set 2.1: A 121 MET CE :methyl -162:sc= -0.101 (180deg=-0.586) USER MOD Set 2.2: A 129 THR OG1 : rot 78:sc= 1.23 USER MOD Set 3.1: A 31 HIS : no HE2:sc= 0.31 K(o=1.7,f=-5.2!) USER MOD Set 3.2: A 43 SER OG : rot -128:sc= 1.41 USER MOD Single : A 12 ASN :FLIP amide:sc= -1.11 F(o=-2.2,f=-1.1) USER MOD Single : A 15 THR OG1 : rot 114:sc= 0.578 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.29 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0445 USER MOD Single : A 47 GLN : amide:sc= -0.198 K(o=-0.2,f=-2!) USER MOD Single : A 53 THR OG1 : rot -75:sc= 0.174 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 58 GLN : amide:sc= -0.396 K(o=-0.4,f=-1.8) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 100 GLN : amide:sc= 0.751 K(o=0.75,f=-0.69) USER MOD Single : A 101 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=-0.0026) USER MOD Single : A 107 GLN : amide:sc= -0.489! C(o=-0.49!,f=-8!) USER MOD Single : A 114 MET CE :methyl -144:sc=-0.00918 (180deg=-0.906) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.316 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 130 TYR OH : rot -161:sc= 1.21 USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 153 N LEU A 11 15.983 -0.660 -7.940 1.00 0.00 N ATOM 154 CA LEU A 11 14.674 -0.030 -7.968 1.00 0.00 C ATOM 155 C LEU A 11 13.603 -1.071 -8.264 1.00 0.00 C ATOM 156 O LEU A 11 13.815 -1.980 -9.072 1.00 0.00 O ATOM 157 CB LEU A 11 14.629 1.075 -9.028 1.00 0.00 C ATOM 158 CG LEU A 11 15.600 2.238 -8.807 1.00 0.00 C ATOM 159 CD1 LEU A 11 15.508 3.230 -9.956 1.00 0.00 C ATOM 160 CD2 LEU A 11 15.312 2.930 -7.483 1.00 0.00 C ATOM 0 HA LEU A 11 14.485 0.416 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.837 0.630 -10.001 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.615 1.473 -9.070 1.00 0.00 H new ATOM 0 HG LEU A 11 16.614 1.839 -8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 11 16.204 4.051 -9.784 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.761 2.729 -10.890 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.493 3.622 -10.018 1.00 0.00 H new ATOM 0 HD21 LEU A 11 16.012 3.754 -7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.293 3.317 -7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.425 2.216 -6.667 1.00 0.00 H new ATOM 172 N ASN A 12 12.468 -0.945 -7.603 1.00 0.00 N ATOM 173 CA ASN A 12 11.355 -1.859 -7.809 1.00 0.00 C ATOM 174 C ASN A 12 10.188 -1.107 -8.431 1.00 0.00 C ATOM 175 O ASN A 12 9.598 -0.230 -7.800 1.00 0.00 O ATOM 176 CB ASN A 12 10.939 -2.490 -6.480 1.00 0.00 C ATOM 177 CG ASN A 12 9.812 -3.492 -6.631 1.00 0.00 C ATOM 178 OD1 ASN A 12 8.990 -3.608 -5.605 1.00 0.00 O flip ATOM 179 ND2 ASN A 12 9.687 -4.162 -7.657 1.00 0.00 N flip ATOM 0 H ASN A 12 12.290 -0.214 -6.914 1.00 0.00 H new ATOM 0 HA ASN A 12 11.663 -2.656 -8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.801 -2.985 -6.033 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.630 -1.704 -5.791 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.344 -4.042 -8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.926 -4.837 -7.736 1.00 0.00 H new ATOM 186 N THR A 13 9.873 -1.432 -9.673 1.00 0.00 N ATOM 187 CA THR A 13 8.869 -0.690 -10.415 1.00 0.00 C ATOM 188 C THR A 13 7.844 -1.623 -11.065 1.00 0.00 C ATOM 189 O THR A 13 8.179 -2.726 -11.508 1.00 0.00 O ATOM 190 CB THR A 13 9.541 0.174 -11.504 1.00 0.00 C ATOM 191 OG1 THR A 13 10.668 0.865 -10.946 1.00 0.00 O ATOM 192 CG2 THR A 13 8.565 1.189 -12.081 1.00 0.00 C ATOM 0 H THR A 13 10.297 -2.203 -10.188 1.00 0.00 H new ATOM 0 HA THR A 13 8.346 -0.048 -9.706 1.00 0.00 H new ATOM 0 HB THR A 13 9.868 -0.487 -12.307 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.093 1.411 -11.640 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.067 1.783 -12.845 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.718 0.667 -12.525 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.211 1.845 -11.286 1.00 0.00 H new ATOM 200 N VAL A 14 6.593 -1.175 -11.094 1.00 0.00 N ATOM 201 CA VAL A 14 5.531 -1.885 -11.792 1.00 0.00 C ATOM 202 C VAL A 14 5.750 -1.780 -13.303 1.00 0.00 C ATOM 203 O VAL A 14 6.155 -0.730 -13.803 1.00 0.00 O ATOM 204 CB VAL A 14 4.141 -1.314 -11.404 1.00 0.00 C ATOM 205 CG1 VAL A 14 4.057 0.178 -11.700 1.00 0.00 C ATOM 206 CG2 VAL A 14 3.018 -2.061 -12.109 1.00 0.00 C ATOM 0 H VAL A 14 6.290 -0.315 -10.637 1.00 0.00 H new ATOM 0 HA VAL A 14 5.557 -2.935 -11.499 1.00 0.00 H new ATOM 0 HB VAL A 14 4.020 -1.457 -10.330 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.072 0.550 -11.418 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.821 0.706 -11.129 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.218 0.347 -12.765 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.058 -1.636 -11.815 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.141 -1.969 -13.188 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.050 -3.114 -11.829 1.00 0.00 H new ATOM 216 N THR A 15 5.517 -2.868 -14.022 1.00 0.00 N ATOM 217 CA THR A 15 5.757 -2.881 -15.455 1.00 0.00 C ATOM 218 C THR A 15 4.473 -2.671 -16.243 1.00 0.00 C ATOM 219 O THR A 15 4.464 -1.959 -17.245 1.00 0.00 O ATOM 220 CB THR A 15 6.430 -4.192 -15.900 1.00 0.00 C ATOM 221 OG1 THR A 15 5.811 -5.309 -15.248 1.00 0.00 O ATOM 222 CG2 THR A 15 7.918 -4.166 -15.586 1.00 0.00 C ATOM 0 H THR A 15 5.165 -3.746 -13.640 1.00 0.00 H new ATOM 0 HA THR A 15 6.431 -2.051 -15.666 1.00 0.00 H new ATOM 0 HB THR A 15 6.306 -4.294 -16.978 1.00 0.00 H new ATOM 0 HG1 THR A 15 5.356 -5.865 -15.914 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.374 -5.102 -15.909 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.386 -3.334 -16.112 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.061 -4.044 -14.512 1.00 0.00 H new ATOM 230 N ALA A 16 3.386 -3.281 -15.792 1.00 0.00 N ATOM 231 CA ALA A 16 2.119 -3.159 -16.492 1.00 0.00 C ATOM 232 C ALA A 16 0.954 -3.020 -15.526 1.00 0.00 C ATOM 233 O ALA A 16 0.676 -3.916 -14.728 1.00 0.00 O ATOM 234 CB ALA A 16 1.902 -4.347 -17.416 1.00 0.00 C ATOM 0 H ALA A 16 3.357 -3.860 -14.953 1.00 0.00 H new ATOM 0 HA ALA A 16 2.163 -2.250 -17.091 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.948 -4.238 -17.931 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.708 -4.390 -18.149 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.895 -5.267 -16.831 1.00 0.00 H new ATOM 240 N TYR A 17 0.291 -1.881 -15.596 1.00 0.00 N ATOM 241 CA TYR A 17 -0.932 -1.651 -14.851 1.00 0.00 C ATOM 242 C TYR A 17 -2.102 -1.719 -15.821 1.00 0.00 C ATOM 243 O TYR A 17 -2.314 -0.798 -16.613 1.00 0.00 O ATOM 244 CB TYR A 17 -0.882 -0.287 -14.150 1.00 0.00 C ATOM 245 CG TYR A 17 -2.098 0.025 -13.302 1.00 0.00 C ATOM 246 CD1 TYR A 17 -2.221 -0.485 -12.016 1.00 0.00 C ATOM 247 CD2 TYR A 17 -3.115 0.842 -13.785 1.00 0.00 C ATOM 248 CE1 TYR A 17 -3.325 -0.194 -11.237 1.00 0.00 C ATOM 249 CE2 TYR A 17 -4.221 1.136 -13.011 1.00 0.00 C ATOM 250 CZ TYR A 17 -4.321 0.617 -11.739 1.00 0.00 C ATOM 251 OH TYR A 17 -5.420 0.910 -10.964 1.00 0.00 O ATOM 0 H TYR A 17 0.585 -1.091 -16.170 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.051 -2.412 -14.080 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.006 -0.249 -13.519 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.770 0.492 -14.904 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.442 -1.119 -11.619 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.039 1.253 -14.781 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.407 -0.600 -10.240 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.003 1.770 -13.401 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.027 1.494 -11.465 1.00 0.00 H new ATOM 261 N GLY A 18 -2.836 -2.819 -15.784 1.00 0.00 N ATOM 262 CA GLY A 18 -3.866 -3.039 -16.775 1.00 0.00 C ATOM 263 C GLY A 18 -5.248 -3.156 -16.178 1.00 0.00 C ATOM 264 O GLY A 18 -5.448 -2.894 -14.989 1.00 0.00 O ATOM 0 H GLY A 18 -2.738 -3.560 -15.090 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.854 -2.217 -17.491 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.639 -3.949 -17.331 1.00 0.00 H new ATOM 268 N ASP A 19 -6.194 -3.567 -17.007 1.00 0.00 N ATOM 269 CA ASP A 19 -7.587 -3.672 -16.602 1.00 0.00 C ATOM 270 C ASP A 19 -7.808 -4.908 -15.738 1.00 0.00 C ATOM 271 O ASP A 19 -7.985 -6.017 -16.249 1.00 0.00 O ATOM 272 CB ASP A 19 -8.489 -3.723 -17.840 1.00 0.00 C ATOM 273 CG ASP A 19 -9.967 -3.702 -17.501 1.00 0.00 C ATOM 274 OD1 ASP A 19 -10.546 -2.598 -17.424 1.00 0.00 O ATOM 275 OD2 ASP A 19 -10.565 -4.786 -17.335 1.00 0.00 O ATOM 0 H ASP A 19 -6.020 -3.836 -17.975 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.842 -2.793 -16.011 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.258 -2.875 -18.485 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.265 -4.626 -18.408 1.00 0.00 H new ATOM 280 N GLY A 20 -7.738 -4.719 -14.427 1.00 0.00 N ATOM 281 CA GLY A 20 -8.042 -5.793 -13.501 1.00 0.00 C ATOM 282 C GLY A 20 -6.807 -6.524 -13.004 1.00 0.00 C ATOM 283 O GLY A 20 -6.869 -7.227 -11.995 1.00 0.00 O ATOM 0 H GLY A 20 -7.475 -3.837 -13.987 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.583 -5.385 -12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.707 -6.506 -13.988 1.00 0.00 H new ATOM 287 N TYR A 21 -5.686 -6.355 -13.696 1.00 0.00 N ATOM 288 CA TYR A 21 -4.462 -7.068 -13.345 1.00 0.00 C ATOM 289 C TYR A 21 -3.305 -6.097 -13.136 1.00 0.00 C ATOM 290 O TYR A 21 -3.274 -5.013 -13.725 1.00 0.00 O ATOM 291 CB TYR A 21 -4.099 -8.090 -14.433 1.00 0.00 C ATOM 292 CG TYR A 21 -3.838 -7.477 -15.795 1.00 0.00 C ATOM 293 CD1 TYR A 21 -2.566 -7.044 -16.155 1.00 0.00 C ATOM 294 CD2 TYR A 21 -4.865 -7.329 -16.717 1.00 0.00 C ATOM 295 CE1 TYR A 21 -2.329 -6.480 -17.393 1.00 0.00 C ATOM 296 CE2 TYR A 21 -4.634 -6.768 -17.957 1.00 0.00 C ATOM 297 CZ TYR A 21 -3.365 -6.344 -18.291 1.00 0.00 C ATOM 298 OH TYR A 21 -3.136 -5.780 -19.526 1.00 0.00 O ATOM 0 H TYR A 21 -5.599 -5.733 -14.500 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.642 -7.598 -12.410 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.212 -8.640 -14.118 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.909 -8.814 -14.521 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.751 -7.151 -15.455 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.861 -7.658 -16.460 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.336 -6.147 -17.656 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.444 -6.662 -18.663 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.972 -5.760 -20.037 1.00 0.00 H new ATOM 308 N ILE A 22 -2.356 -6.496 -12.301 1.00 0.00 N ATOM 309 CA ILE A 22 -1.181 -5.682 -12.019 1.00 0.00 C ATOM 310 C ILE A 22 0.085 -6.518 -12.196 1.00 0.00 C ATOM 311 O ILE A 22 0.222 -7.580 -11.591 1.00 0.00 O ATOM 312 CB ILE A 22 -1.228 -5.112 -10.585 1.00 0.00 C ATOM 313 CG1 ILE A 22 -2.533 -4.339 -10.371 1.00 0.00 C ATOM 314 CG2 ILE A 22 -0.026 -4.209 -10.331 1.00 0.00 C ATOM 315 CD1 ILE A 22 -2.750 -3.884 -8.945 1.00 0.00 C ATOM 0 H ILE A 22 -2.377 -7.386 -11.803 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.172 -4.848 -12.720 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.190 -5.940 -9.877 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.538 -3.467 -11.025 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.370 -4.969 -10.672 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.075 -3.816 -9.316 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.893 -4.783 -10.454 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.035 -3.382 -11.041 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.694 -3.344 -8.875 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.778 -4.752 -8.286 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.934 -3.227 -8.644 1.00 0.00 H new ATOM 327 N GLU A 23 0.994 -6.043 -13.038 1.00 0.00 N ATOM 328 CA GLU A 23 2.215 -6.779 -13.344 1.00 0.00 C ATOM 329 C GLU A 23 3.444 -6.074 -12.780 1.00 0.00 C ATOM 330 O GLU A 23 3.713 -4.915 -13.100 1.00 0.00 O ATOM 331 CB GLU A 23 2.359 -6.952 -14.857 1.00 0.00 C ATOM 332 CG GLU A 23 3.542 -7.815 -15.268 1.00 0.00 C ATOM 333 CD GLU A 23 3.745 -7.843 -16.767 1.00 0.00 C ATOM 334 OE1 GLU A 23 4.415 -6.929 -17.294 1.00 0.00 O ATOM 335 OE2 GLU A 23 3.243 -8.779 -17.426 1.00 0.00 O ATOM 0 H GLU A 23 0.909 -5.149 -13.522 1.00 0.00 H new ATOM 0 HA GLU A 23 2.143 -7.760 -12.874 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.444 -7.395 -15.251 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.461 -5.969 -15.317 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.446 -7.439 -14.789 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.389 -8.832 -14.906 1.00 0.00 H new ATOM 342 N VAL A 24 4.187 -6.786 -11.948 1.00 0.00 N ATOM 343 CA VAL A 24 5.417 -6.265 -11.377 1.00 0.00 C ATOM 344 C VAL A 24 6.617 -6.999 -11.963 1.00 0.00 C ATOM 345 O VAL A 24 6.766 -8.211 -11.772 1.00 0.00 O ATOM 346 CB VAL A 24 5.436 -6.395 -9.837 1.00 0.00 C ATOM 347 CG1 VAL A 24 6.720 -5.816 -9.261 1.00 0.00 C ATOM 348 CG2 VAL A 24 4.223 -5.711 -9.226 1.00 0.00 C ATOM 0 H VAL A 24 3.956 -7.734 -11.652 1.00 0.00 H new ATOM 0 HA VAL A 24 5.471 -5.206 -11.628 1.00 0.00 H new ATOM 0 HB VAL A 24 5.397 -7.455 -9.586 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.711 -5.919 -8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.576 -6.353 -9.669 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.794 -4.761 -9.525 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.255 -5.814 -8.141 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.230 -4.654 -9.491 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.313 -6.175 -9.608 1.00 0.00 H new ATOM 358 N ASN A 25 7.447 -6.258 -12.699 1.00 0.00 N ATOM 359 CA ASN A 25 8.651 -6.798 -13.337 1.00 0.00 C ATOM 360 C ASN A 25 8.300 -7.783 -14.449 1.00 0.00 C ATOM 361 O ASN A 25 8.339 -7.434 -15.630 1.00 0.00 O ATOM 362 CB ASN A 25 9.591 -7.460 -12.316 1.00 0.00 C ATOM 363 CG ASN A 25 10.482 -6.469 -11.582 1.00 0.00 C ATOM 364 OD1 ASN A 25 9.984 -5.261 -11.348 1.00 0.00 O flip ATOM 365 ND2 ASN A 25 11.614 -6.793 -11.217 1.00 0.00 N flip ATOM 0 H ASN A 25 7.303 -5.263 -12.871 1.00 0.00 H new ATOM 0 HA ASN A 25 9.177 -5.952 -13.780 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.995 -8.009 -11.588 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.218 -8.189 -12.830 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.965 -7.730 -11.414 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.200 -6.124 -10.718 1.00 0.00 H new ATOM 372 N GLN A 26 7.957 -9.008 -14.077 1.00 0.00 N ATOM 373 CA GLN A 26 7.620 -10.034 -15.058 1.00 0.00 C ATOM 374 C GLN A 26 6.414 -10.854 -14.608 1.00 0.00 C ATOM 375 O GLN A 26 5.976 -11.761 -15.317 1.00 0.00 O ATOM 376 CB GLN A 26 8.805 -10.976 -15.286 1.00 0.00 C ATOM 377 CG GLN A 26 10.077 -10.284 -15.747 1.00 0.00 C ATOM 378 CD GLN A 26 11.172 -11.272 -16.090 1.00 0.00 C ATOM 379 OE1 GLN A 26 11.957 -11.672 -15.231 1.00 0.00 O ATOM 380 NE2 GLN A 26 11.236 -11.668 -17.349 1.00 0.00 N ATOM 0 H GLN A 26 7.904 -9.317 -13.106 1.00 0.00 H new ATOM 0 HA GLN A 26 7.376 -9.523 -15.989 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.012 -11.511 -14.359 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.523 -11.723 -16.028 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.858 -9.669 -16.620 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.428 -9.612 -14.963 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.566 -11.312 -18.030 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.956 -12.330 -17.640 1.00 0.00 H new ATOM 389 N VAL A 27 5.884 -10.546 -13.433 1.00 0.00 N ATOM 390 CA VAL A 27 4.805 -11.341 -12.863 1.00 0.00 C ATOM 391 C VAL A 27 3.546 -10.505 -12.673 1.00 0.00 C ATOM 392 O VAL A 27 3.565 -9.484 -11.984 1.00 0.00 O ATOM 393 CB VAL A 27 5.212 -11.957 -11.504 1.00 0.00 C ATOM 394 CG1 VAL A 27 4.110 -12.861 -10.972 1.00 0.00 C ATOM 395 CG2 VAL A 27 6.522 -12.723 -11.628 1.00 0.00 C ATOM 0 H VAL A 27 6.181 -9.757 -12.859 1.00 0.00 H new ATOM 0 HA VAL A 27 4.600 -12.145 -13.570 1.00 0.00 H new ATOM 0 HB VAL A 27 5.360 -11.144 -10.794 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.417 -13.284 -10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.197 -12.281 -10.836 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.926 -13.667 -11.683 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.788 -13.147 -10.660 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.407 -13.525 -12.357 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.310 -12.045 -11.956 1.00 0.00 H new ATOM 405 N ARG A 28 2.459 -10.935 -13.295 1.00 0.00 N ATOM 406 CA ARG A 28 1.172 -10.281 -13.117 1.00 0.00 C ATOM 407 C ARG A 28 0.339 -11.026 -12.087 1.00 0.00 C ATOM 408 O ARG A 28 0.087 -12.226 -12.214 1.00 0.00 O ATOM 409 CB ARG A 28 0.429 -10.155 -14.453 1.00 0.00 C ATOM 410 CG ARG A 28 0.302 -11.456 -15.228 1.00 0.00 C ATOM 411 CD ARG A 28 -0.232 -11.204 -16.627 1.00 0.00 C ATOM 412 NE ARG A 28 0.616 -10.266 -17.363 1.00 0.00 N ATOM 413 CZ ARG A 28 0.210 -9.546 -18.406 1.00 0.00 C ATOM 414 NH1 ARG A 28 -1.036 -9.651 -18.851 1.00 0.00 N ATOM 415 NH2 ARG A 28 1.055 -8.713 -18.992 1.00 0.00 N ATOM 0 H ARG A 28 2.443 -11.735 -13.928 1.00 0.00 H new ATOM 0 HA ARG A 28 1.346 -9.271 -12.745 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.569 -9.761 -14.263 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.947 -9.425 -15.075 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.275 -11.944 -15.288 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.364 -12.136 -14.697 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.291 -12.147 -17.171 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.246 -10.808 -16.565 1.00 0.00 H new ATOM 0 HE ARG A 28 1.583 -10.157 -17.056 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.689 -10.287 -18.393 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.340 -9.096 -19.651 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.010 -8.626 -18.644 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.752 -8.158 -19.792 1.00 0.00 H new ATOM 429 N PHE A 29 -0.073 -10.309 -11.057 1.00 0.00 N ATOM 430 CA PHE A 29 -0.771 -10.913 -9.938 1.00 0.00 C ATOM 431 C PHE A 29 -2.275 -10.734 -10.067 1.00 0.00 C ATOM 432 O PHE A 29 -2.760 -9.663 -10.435 1.00 0.00 O ATOM 433 CB PHE A 29 -0.283 -10.306 -8.621 1.00 0.00 C ATOM 434 CG PHE A 29 1.180 -10.529 -8.357 1.00 0.00 C ATOM 435 CD1 PHE A 29 1.611 -11.664 -7.690 1.00 0.00 C ATOM 436 CD2 PHE A 29 2.124 -9.601 -8.772 1.00 0.00 C ATOM 437 CE1 PHE A 29 2.954 -11.871 -7.441 1.00 0.00 C ATOM 438 CE2 PHE A 29 3.467 -9.801 -8.523 1.00 0.00 C ATOM 439 CZ PHE A 29 3.884 -10.938 -7.859 1.00 0.00 C ATOM 0 H PHE A 29 0.065 -9.302 -10.973 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.554 -11.981 -9.943 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.482 -9.234 -8.630 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.860 -10.731 -7.800 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.888 -12.396 -7.361 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.805 -8.712 -9.296 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.277 -12.761 -6.920 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.191 -9.069 -8.847 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.935 -11.098 -7.667 1.00 0.00 H new ATOM 449 N SER A 30 -3.003 -11.798 -9.766 1.00 0.00 N ATOM 450 CA SER A 30 -4.455 -11.776 -9.767 1.00 0.00 C ATOM 451 C SER A 30 -4.984 -11.496 -8.360 1.00 0.00 C ATOM 452 O SER A 30 -6.154 -11.735 -8.059 1.00 0.00 O ATOM 453 CB SER A 30 -4.970 -13.121 -10.274 1.00 0.00 C ATOM 454 OG SER A 30 -4.234 -14.186 -9.690 1.00 0.00 O ATOM 0 H SER A 30 -2.602 -12.701 -9.514 1.00 0.00 H new ATOM 0 HA SER A 30 -4.808 -10.981 -10.424 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.028 -13.227 -10.033 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.885 -13.164 -11.360 1.00 0.00 H new ATOM 0 HG SER A 30 -4.577 -15.042 -10.023 1.00 0.00 H new ATOM 460 N HIS A 31 -4.107 -10.982 -7.506 1.00 0.00 N ATOM 461 CA HIS A 31 -4.456 -10.681 -6.124 1.00 0.00 C ATOM 462 C HIS A 31 -3.674 -9.465 -5.644 1.00 0.00 C ATOM 463 O HIS A 31 -2.729 -9.037 -6.304 1.00 0.00 O ATOM 464 CB HIS A 31 -4.194 -11.891 -5.209 1.00 0.00 C ATOM 465 CG HIS A 31 -2.786 -12.421 -5.248 1.00 0.00 C ATOM 466 ND1 HIS A 31 -2.467 -13.678 -5.717 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.616 -11.868 -4.848 1.00 0.00 C ATOM 468 CE1 HIS A 31 -1.167 -13.872 -5.603 1.00 0.00 C ATOM 469 NE2 HIS A 31 -0.624 -12.789 -5.076 1.00 0.00 N ATOM 0 H HIS A 31 -3.141 -10.764 -7.750 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.522 -10.457 -6.079 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.433 -11.611 -4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.877 -12.694 -5.488 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -3.133 -14.353 -6.094 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.487 -10.882 -4.426 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.636 -14.767 -5.892 1.00 0.00 H new ATOM 478 N ALA A 32 -4.071 -8.925 -4.496 1.00 0.00 N ATOM 479 CA ALA A 32 -3.437 -7.731 -3.943 1.00 0.00 C ATOM 480 C ALA A 32 -1.964 -7.971 -3.642 1.00 0.00 C ATOM 481 O ALA A 32 -1.566 -9.083 -3.280 1.00 0.00 O ATOM 482 CB ALA A 32 -4.164 -7.284 -2.686 1.00 0.00 C ATOM 0 H ALA A 32 -4.832 -9.297 -3.928 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.501 -6.942 -4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.681 -6.393 -2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.202 -7.056 -2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.131 -8.081 -1.943 1.00 0.00 H new ATOM 488 N ILE A 33 -1.163 -6.930 -3.798 1.00 0.00 N ATOM 489 CA ILE A 33 0.274 -7.018 -3.576 1.00 0.00 C ATOM 490 C ILE A 33 0.803 -5.757 -2.912 1.00 0.00 C ATOM 491 O ILE A 33 0.293 -4.660 -3.145 1.00 0.00 O ATOM 492 CB ILE A 33 1.043 -7.249 -4.895 1.00 0.00 C ATOM 493 CG1 ILE A 33 0.540 -6.288 -5.980 1.00 0.00 C ATOM 494 CG2 ILE A 33 0.913 -8.698 -5.341 1.00 0.00 C ATOM 495 CD1 ILE A 33 1.259 -6.427 -7.304 1.00 0.00 C ATOM 0 H ILE A 33 -1.486 -6.005 -4.080 1.00 0.00 H new ATOM 0 HA ILE A 33 0.436 -7.872 -2.919 1.00 0.00 H new ATOM 0 HB ILE A 33 2.100 -7.045 -4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.525 -6.458 -6.137 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.650 -5.264 -5.624 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.461 -8.843 -6.272 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.323 -9.353 -4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.139 -8.937 -5.498 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.847 -5.714 -8.018 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.321 -6.227 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.128 -7.440 -7.685 1.00 0.00 H new ATOM 507 N ALA A 34 1.820 -5.923 -2.083 1.00 0.00 N ATOM 508 CA ALA A 34 2.463 -4.806 -1.414 1.00 0.00 C ATOM 509 C ALA A 34 3.962 -4.847 -1.667 1.00 0.00 C ATOM 510 O ALA A 34 4.615 -5.862 -1.408 1.00 0.00 O ATOM 511 CB ALA A 34 2.171 -4.838 0.079 1.00 0.00 C ATOM 0 H ALA A 34 2.222 -6.833 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 34 2.063 -3.876 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.661 -3.994 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.095 -4.775 0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.548 -5.769 0.504 1.00 0.00 H new ATOM 517 N PHE A 35 4.507 -3.760 -2.186 1.00 0.00 N ATOM 518 CA PHE A 35 5.920 -3.719 -2.526 1.00 0.00 C ATOM 519 C PHE A 35 6.499 -2.320 -2.347 1.00 0.00 C ATOM 520 O PHE A 35 5.767 -1.331 -2.286 1.00 0.00 O ATOM 521 CB PHE A 35 6.148 -4.219 -3.960 1.00 0.00 C ATOM 522 CG PHE A 35 5.346 -3.504 -5.017 1.00 0.00 C ATOM 523 CD1 PHE A 35 4.041 -3.884 -5.292 1.00 0.00 C ATOM 524 CD2 PHE A 35 5.903 -2.464 -5.744 1.00 0.00 C ATOM 525 CE1 PHE A 35 3.309 -3.242 -6.270 1.00 0.00 C ATOM 526 CE2 PHE A 35 5.174 -1.816 -6.723 1.00 0.00 C ATOM 527 CZ PHE A 35 3.875 -2.205 -6.986 1.00 0.00 C ATOM 0 H PHE A 35 3.997 -2.899 -2.380 1.00 0.00 H new ATOM 0 HA PHE A 35 6.443 -4.384 -1.839 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.207 -4.120 -4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.910 -5.282 -4.001 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.592 -4.692 -4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.919 -2.156 -5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.294 -3.550 -6.475 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.619 -1.006 -7.282 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.303 -1.699 -7.750 1.00 0.00 H new ATOM 537 N ALA A 36 7.820 -2.259 -2.255 1.00 0.00 N ATOM 538 CA ALA A 36 8.533 -1.008 -2.057 1.00 0.00 C ATOM 539 C ALA A 36 9.754 -0.964 -2.971 1.00 0.00 C ATOM 540 O ALA A 36 10.189 -2.010 -3.456 1.00 0.00 O ATOM 541 CB ALA A 36 8.951 -0.879 -0.598 1.00 0.00 C ATOM 0 H ALA A 36 8.427 -3.077 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 36 7.879 -0.172 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.485 0.060 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.065 -0.894 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.602 -1.711 -0.331 1.00 0.00 H new ATOM 547 N PRO A 37 10.315 0.235 -3.234 1.00 0.00 N ATOM 548 CA PRO A 37 11.511 0.385 -4.072 1.00 0.00 C ATOM 549 C PRO A 37 12.678 -0.449 -3.554 1.00 0.00 C ATOM 550 O PRO A 37 13.321 -1.177 -4.310 1.00 0.00 O ATOM 551 CB PRO A 37 11.839 1.884 -3.993 1.00 0.00 C ATOM 552 CG PRO A 37 11.039 2.410 -2.849 1.00 0.00 C ATOM 553 CD PRO A 37 9.824 1.536 -2.758 1.00 0.00 C ATOM 0 HA PRO A 37 11.337 0.039 -5.091 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.905 2.044 -3.832 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.577 2.392 -4.921 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.614 2.377 -1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.760 3.451 -3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.446 1.476 -1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.010 1.911 -3.378 1.00 0.00 H new ATOM 561 N GLU A 38 12.941 -0.338 -2.260 1.00 0.00 N ATOM 562 CA GLU A 38 13.949 -1.155 -1.610 1.00 0.00 C ATOM 563 C GLU A 38 13.265 -2.125 -0.655 1.00 0.00 C ATOM 564 O GLU A 38 13.057 -1.820 0.520 1.00 0.00 O ATOM 565 CB GLU A 38 14.968 -0.279 -0.869 1.00 0.00 C ATOM 566 CG GLU A 38 16.063 -1.069 -0.165 1.00 0.00 C ATOM 567 CD GLU A 38 17.138 -0.180 0.431 1.00 0.00 C ATOM 568 OE1 GLU A 38 16.852 0.542 1.410 1.00 0.00 O ATOM 569 OE2 GLU A 38 18.280 -0.200 -0.080 1.00 0.00 O ATOM 0 H GLU A 38 12.465 0.315 -1.638 1.00 0.00 H new ATOM 0 HA GLU A 38 14.495 -1.721 -2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.428 0.407 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.442 0.330 -0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.618 -1.673 0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.520 -1.759 -0.874 1.00 0.00 H new ATOM 576 N GLY A 39 12.865 -3.270 -1.186 1.00 0.00 N ATOM 577 CA GLY A 39 12.176 -4.258 -0.389 1.00 0.00 C ATOM 578 C GLY A 39 11.620 -5.384 -1.235 1.00 0.00 C ATOM 579 O GLY A 39 11.774 -5.371 -2.459 1.00 0.00 O ATOM 0 H GLY A 39 13.007 -3.532 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.862 -4.667 0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.363 -3.780 0.157 1.00 0.00 H new ATOM 583 N PRO A 40 10.979 -6.377 -0.606 1.00 0.00 N ATOM 584 CA PRO A 40 10.412 -7.522 -1.303 1.00 0.00 C ATOM 585 C PRO A 40 8.962 -7.304 -1.732 1.00 0.00 C ATOM 586 O PRO A 40 8.178 -6.662 -1.026 1.00 0.00 O ATOM 587 CB PRO A 40 10.498 -8.618 -0.243 1.00 0.00 C ATOM 588 CG PRO A 40 10.343 -7.909 1.065 1.00 0.00 C ATOM 589 CD PRO A 40 10.773 -6.475 0.850 1.00 0.00 C ATOM 0 HA PRO A 40 10.936 -7.743 -2.233 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.715 -9.363 -0.382 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.451 -9.144 -0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.309 -7.953 1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.953 -8.383 1.834 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.012 -5.775 1.193 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.687 -6.246 1.398 1.00 0.00 H new ATOM 597 N VAL A 41 8.615 -7.826 -2.899 1.00 0.00 N ATOM 598 CA VAL A 41 7.231 -7.828 -3.350 1.00 0.00 C ATOM 599 C VAL A 41 6.481 -8.967 -2.672 1.00 0.00 C ATOM 600 O VAL A 41 6.789 -10.141 -2.894 1.00 0.00 O ATOM 601 CB VAL A 41 7.118 -7.987 -4.884 1.00 0.00 C ATOM 602 CG1 VAL A 41 5.661 -7.940 -5.325 1.00 0.00 C ATOM 603 CG2 VAL A 41 7.925 -6.915 -5.601 1.00 0.00 C ATOM 0 H VAL A 41 9.273 -8.254 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 41 6.795 -6.866 -3.082 1.00 0.00 H new ATOM 0 HB VAL A 41 7.528 -8.961 -5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.605 -8.054 -6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.110 -8.749 -4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.225 -6.983 -5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.830 -7.048 -6.679 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.550 -5.930 -5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.974 -6.998 -5.316 1.00 0.00 H new ATOM 613 N ALA A 42 5.521 -8.623 -1.832 1.00 0.00 N ATOM 614 CA ALA A 42 4.755 -9.622 -1.107 1.00 0.00 C ATOM 615 C ALA A 42 3.292 -9.568 -1.510 1.00 0.00 C ATOM 616 O ALA A 42 2.801 -8.531 -1.962 1.00 0.00 O ATOM 617 CB ALA A 42 4.904 -9.415 0.392 1.00 0.00 C ATOM 0 H ALA A 42 5.253 -7.659 -1.635 1.00 0.00 H new ATOM 0 HA ALA A 42 5.143 -10.608 -1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.325 -10.170 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.955 -9.502 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.539 -8.423 0.660 1.00 0.00 H new ATOM 623 N SER A 43 2.603 -10.683 -1.361 1.00 0.00 N ATOM 624 CA SER A 43 1.191 -10.751 -1.671 1.00 0.00 C ATOM 625 C SER A 43 0.364 -10.337 -0.460 1.00 0.00 C ATOM 626 O SER A 43 0.725 -10.623 0.683 1.00 0.00 O ATOM 627 CB SER A 43 0.818 -12.163 -2.122 1.00 0.00 C ATOM 628 OG SER A 43 1.472 -12.494 -3.340 1.00 0.00 O ATOM 0 H SER A 43 3.003 -11.559 -1.025 1.00 0.00 H new ATOM 0 HA SER A 43 0.975 -10.060 -2.486 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.094 -12.881 -1.349 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.262 -12.234 -2.253 1.00 0.00 H new ATOM 0 HG SER A 43 0.811 -12.811 -3.991 1.00 0.00 H new ATOM 634 N TRP A 44 -0.731 -9.646 -0.718 1.00 0.00 N ATOM 635 CA TRP A 44 -1.602 -9.165 0.338 1.00 0.00 C ATOM 636 C TRP A 44 -2.932 -9.914 0.276 1.00 0.00 C ATOM 637 O TRP A 44 -3.608 -9.903 -0.754 1.00 0.00 O ATOM 638 CB TRP A 44 -1.809 -7.653 0.182 1.00 0.00 C ATOM 639 CG TRP A 44 -2.203 -6.955 1.449 1.00 0.00 C ATOM 640 CD1 TRP A 44 -1.803 -7.267 2.717 1.00 0.00 C ATOM 641 CD2 TRP A 44 -3.052 -5.807 1.567 1.00 0.00 C ATOM 642 NE1 TRP A 44 -2.362 -6.394 3.616 1.00 0.00 N ATOM 643 CE2 TRP A 44 -3.130 -5.486 2.935 1.00 0.00 C ATOM 644 CE3 TRP A 44 -3.753 -5.018 0.651 1.00 0.00 C ATOM 645 CZ2 TRP A 44 -3.886 -4.416 3.408 1.00 0.00 C ATOM 646 CZ3 TRP A 44 -4.502 -3.956 1.121 1.00 0.00 C ATOM 647 CH2 TRP A 44 -4.560 -3.661 2.487 1.00 0.00 C ATOM 0 H TRP A 44 -1.040 -9.404 -1.659 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.148 -9.348 1.312 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -0.888 -7.208 -0.194 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.578 -7.478 -0.571 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.143 -8.082 2.975 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.228 -6.417 4.627 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.710 -5.235 -0.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -3.938 -4.191 4.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.052 -3.343 0.422 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.149 -2.820 2.822 1.00 0.00 H new ATOM 658 N PRO A 45 -3.309 -10.599 1.370 1.00 0.00 N ATOM 659 CA PRO A 45 -4.521 -11.432 1.430 1.00 0.00 C ATOM 660 C PRO A 45 -5.817 -10.618 1.474 1.00 0.00 C ATOM 661 O PRO A 45 -6.712 -10.898 2.272 1.00 0.00 O ATOM 662 CB PRO A 45 -4.351 -12.229 2.737 1.00 0.00 C ATOM 663 CG PRO A 45 -2.952 -11.976 3.191 1.00 0.00 C ATOM 664 CD PRO A 45 -2.574 -10.636 2.639 1.00 0.00 C ATOM 0 HA PRO A 45 -4.614 -12.051 0.538 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.070 -11.904 3.489 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.521 -13.293 2.571 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.888 -11.982 4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.278 -12.752 2.828 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.870 -9.825 3.304 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.498 -10.548 2.488 1.00 0.00 H new ATOM 672 N VAL A 46 -5.927 -9.629 0.601 1.00 0.00 N ATOM 673 CA VAL A 46 -7.122 -8.806 0.520 1.00 0.00 C ATOM 674 C VAL A 46 -7.713 -8.873 -0.886 1.00 0.00 C ATOM 675 O VAL A 46 -7.079 -8.461 -1.856 1.00 0.00 O ATOM 676 CB VAL A 46 -6.824 -7.337 0.892 1.00 0.00 C ATOM 677 CG1 VAL A 46 -8.071 -6.478 0.756 1.00 0.00 C ATOM 678 CG2 VAL A 46 -6.272 -7.250 2.306 1.00 0.00 C ATOM 0 H VAL A 46 -5.197 -9.376 -0.065 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.843 -9.198 1.237 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.073 -6.957 0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.834 -5.448 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.426 -6.513 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.848 -6.856 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.067 -6.208 2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.003 -7.652 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.350 -7.827 2.373 1.00 0.00 H new ATOM 688 N GLN A 47 -8.920 -9.415 -0.989 1.00 0.00 N ATOM 689 CA GLN A 47 -9.584 -9.565 -2.278 1.00 0.00 C ATOM 690 C GLN A 47 -10.277 -8.259 -2.669 1.00 0.00 C ATOM 691 O GLN A 47 -10.375 -7.919 -3.851 1.00 0.00 O ATOM 692 CB GLN A 47 -10.584 -10.729 -2.212 1.00 0.00 C ATOM 693 CG GLN A 47 -11.056 -11.242 -3.569 1.00 0.00 C ATOM 694 CD GLN A 47 -12.237 -10.472 -4.128 1.00 0.00 C ATOM 695 OE1 GLN A 47 -13.058 -9.944 -3.383 1.00 0.00 O ATOM 696 NE2 GLN A 47 -12.335 -10.410 -5.446 1.00 0.00 N ATOM 0 H GLN A 47 -9.460 -9.758 -0.195 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.843 -9.792 -3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.125 -11.554 -1.667 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.453 -10.411 -1.637 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.229 -11.188 -4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.328 -12.293 -3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.632 -10.862 -6.031 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.113 -9.910 -5.877 1.00 0.00 H new ATOM 705 N ARG A 48 -10.746 -7.527 -1.665 1.00 0.00 N ATOM 706 CA ARG A 48 -11.357 -6.223 -1.880 1.00 0.00 C ATOM 707 C ARG A 48 -11.352 -5.421 -0.578 1.00 0.00 C ATOM 708 O ARG A 48 -11.246 -6.003 0.504 1.00 0.00 O ATOM 709 CB ARG A 48 -12.779 -6.368 -2.444 1.00 0.00 C ATOM 710 CG ARG A 48 -13.712 -7.239 -1.618 1.00 0.00 C ATOM 711 CD ARG A 48 -15.044 -7.413 -2.333 1.00 0.00 C ATOM 712 NE ARG A 48 -15.956 -8.311 -1.631 1.00 0.00 N ATOM 713 CZ ARG A 48 -16.912 -9.013 -2.239 1.00 0.00 C ATOM 714 NH1 ARG A 48 -17.037 -8.975 -3.560 1.00 0.00 N ATOM 715 NH2 ARG A 48 -17.735 -9.768 -1.529 1.00 0.00 N ATOM 0 H ARG A 48 -10.714 -7.818 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.769 -5.679 -2.619 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -13.220 -5.375 -2.537 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.714 -6.783 -3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.254 -8.213 -1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.873 -6.785 -0.640 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.519 -6.438 -2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.864 -7.799 -3.336 1.00 0.00 H new ATOM 0 HE ARG A 48 -15.856 -8.406 -0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.399 -8.406 -4.116 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.771 -9.515 -4.019 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.638 -9.813 -0.515 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.466 -10.304 -1.996 1.00 0.00 H new ATOM 729 N PRO A 49 -11.458 -4.076 -0.670 1.00 0.00 N ATOM 730 CA PRO A 49 -11.332 -3.157 0.481 1.00 0.00 C ATOM 731 C PRO A 49 -12.479 -3.250 1.495 1.00 0.00 C ATOM 732 O PRO A 49 -12.848 -2.255 2.116 1.00 0.00 O ATOM 733 CB PRO A 49 -11.331 -1.761 -0.166 1.00 0.00 C ATOM 734 CG PRO A 49 -11.094 -1.993 -1.618 1.00 0.00 C ATOM 735 CD PRO A 49 -11.690 -3.334 -1.918 1.00 0.00 C ATOM 0 HA PRO A 49 -10.439 -3.398 1.058 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.280 -1.251 -0.000 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.552 -1.131 0.263 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.561 -1.214 -2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.029 -1.978 -1.848 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -12.751 -3.262 -2.155 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.205 -3.812 -2.769 1.00 0.00 H new ATOM 743 N ALA A 50 -13.016 -4.445 1.677 1.00 0.00 N ATOM 744 CA ALA A 50 -14.093 -4.656 2.631 1.00 0.00 C ATOM 745 C ALA A 50 -13.547 -5.146 3.971 1.00 0.00 C ATOM 746 O ALA A 50 -14.145 -4.901 5.020 1.00 0.00 O ATOM 747 CB ALA A 50 -15.098 -5.654 2.072 1.00 0.00 C ATOM 0 H ALA A 50 -12.724 -5.284 1.177 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.595 -3.703 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.901 -5.805 2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.515 -5.268 1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -14.599 -6.604 1.880 1.00 0.00 H new ATOM 753 N ASP A 51 -12.401 -5.822 3.931 1.00 0.00 N ATOM 754 CA ASP A 51 -11.840 -6.445 5.131 1.00 0.00 C ATOM 755 C ASP A 51 -10.552 -5.766 5.583 1.00 0.00 C ATOM 756 O ASP A 51 -9.885 -6.248 6.503 1.00 0.00 O ATOM 757 CB ASP A 51 -11.558 -7.931 4.886 1.00 0.00 C ATOM 758 CG ASP A 51 -12.817 -8.734 4.637 1.00 0.00 C ATOM 759 OD1 ASP A 51 -13.578 -8.971 5.600 1.00 0.00 O ATOM 760 OD2 ASP A 51 -13.056 -9.124 3.476 1.00 0.00 O ATOM 0 H ASP A 51 -11.844 -5.953 3.086 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.585 -6.331 5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.892 -8.033 4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.034 -8.344 5.748 1.00 0.00 H new ATOM 765 N ILE A 52 -10.204 -4.651 4.947 1.00 0.00 N ATOM 766 CA ILE A 52 -8.964 -3.950 5.269 1.00 0.00 C ATOM 767 C ILE A 52 -8.971 -3.474 6.717 1.00 0.00 C ATOM 768 O ILE A 52 -9.718 -2.567 7.086 1.00 0.00 O ATOM 769 CB ILE A 52 -8.712 -2.747 4.332 1.00 0.00 C ATOM 770 CG1 ILE A 52 -8.596 -3.218 2.879 1.00 0.00 C ATOM 771 CG2 ILE A 52 -7.448 -2.002 4.750 1.00 0.00 C ATOM 772 CD1 ILE A 52 -8.296 -2.102 1.900 1.00 0.00 C ATOM 0 H ILE A 52 -10.759 -4.215 4.210 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.155 -4.666 5.125 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.558 -2.065 4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.810 -3.970 2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.527 -3.704 2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.285 -1.158 4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -7.561 -1.638 5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.594 -2.677 4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.228 -2.511 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.094 -1.360 1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.350 -1.630 2.165 1.00 0.00 H new ATOM 784 N THR A 53 -8.143 -4.108 7.533 1.00 0.00 N ATOM 785 CA THR A 53 -8.064 -3.796 8.948 1.00 0.00 C ATOM 786 C THR A 53 -6.619 -3.527 9.364 1.00 0.00 C ATOM 787 O THR A 53 -5.698 -3.683 8.557 1.00 0.00 O ATOM 788 CB THR A 53 -8.651 -4.944 9.791 1.00 0.00 C ATOM 789 OG1 THR A 53 -8.301 -6.205 9.201 1.00 0.00 O ATOM 790 CG2 THR A 53 -10.164 -4.826 9.893 1.00 0.00 C ATOM 0 H THR A 53 -7.510 -4.850 7.233 1.00 0.00 H new ATOM 0 HA THR A 53 -8.651 -2.895 9.127 1.00 0.00 H new ATOM 0 HB THR A 53 -8.234 -4.881 10.796 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.855 -6.360 8.408 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.553 -5.648 10.493 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.424 -3.878 10.364 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.600 -4.867 8.895 1.00 0.00 H new ATOM 798 N ALA A 54 -6.430 -3.148 10.626 1.00 0.00 N ATOM 799 CA ALA A 54 -5.118 -2.758 11.135 1.00 0.00 C ATOM 800 C ALA A 54 -4.098 -3.885 10.997 1.00 0.00 C ATOM 801 O ALA A 54 -2.963 -3.651 10.583 1.00 0.00 O ATOM 802 CB ALA A 54 -5.227 -2.321 12.588 1.00 0.00 C ATOM 0 H ALA A 54 -7.176 -3.103 11.320 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.766 -1.920 10.533 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.242 -2.033 12.956 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.905 -1.471 12.662 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.611 -3.146 13.188 1.00 0.00 H new ATOM 808 N SER A 55 -4.509 -5.103 11.334 1.00 0.00 N ATOM 809 CA SER A 55 -3.622 -6.262 11.256 1.00 0.00 C ATOM 810 C SER A 55 -3.094 -6.446 9.834 1.00 0.00 C ATOM 811 O SER A 55 -1.908 -6.706 9.624 1.00 0.00 O ATOM 812 CB SER A 55 -4.366 -7.519 11.700 1.00 0.00 C ATOM 813 OG SER A 55 -5.129 -7.271 12.871 1.00 0.00 O ATOM 0 H SER A 55 -5.451 -5.315 11.664 1.00 0.00 H new ATOM 0 HA SER A 55 -2.774 -6.091 11.920 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.022 -7.859 10.899 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.652 -8.321 11.890 1.00 0.00 H new ATOM 0 HG SER A 55 -5.598 -8.090 13.135 1.00 0.00 H new ATOM 819 N LEU A 56 -3.979 -6.286 8.858 1.00 0.00 N ATOM 820 CA LEU A 56 -3.607 -6.429 7.457 1.00 0.00 C ATOM 821 C LEU A 56 -2.673 -5.303 7.029 1.00 0.00 C ATOM 822 O LEU A 56 -1.750 -5.516 6.242 1.00 0.00 O ATOM 823 CB LEU A 56 -4.853 -6.449 6.570 1.00 0.00 C ATOM 824 CG LEU A 56 -5.794 -7.636 6.797 1.00 0.00 C ATOM 825 CD1 LEU A 56 -7.012 -7.531 5.895 1.00 0.00 C ATOM 826 CD2 LEU A 56 -5.064 -8.949 6.554 1.00 0.00 C ATOM 0 H LEU A 56 -4.961 -6.057 9.012 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.081 -7.377 7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.411 -5.527 6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.537 -6.450 5.527 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.130 -7.615 7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.669 -8.383 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.548 -6.608 6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.694 -7.527 4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.748 -9.782 6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.699 -8.978 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.221 -9.029 7.241 1.00 0.00 H new ATOM 838 N LEU A 57 -2.913 -4.109 7.558 1.00 0.00 N ATOM 839 CA LEU A 57 -2.065 -2.960 7.271 1.00 0.00 C ATOM 840 C LEU A 57 -0.670 -3.175 7.846 1.00 0.00 C ATOM 841 O LEU A 57 0.325 -2.794 7.232 1.00 0.00 O ATOM 842 CB LEU A 57 -2.678 -1.678 7.841 1.00 0.00 C ATOM 843 CG LEU A 57 -4.007 -1.255 7.209 1.00 0.00 C ATOM 844 CD1 LEU A 57 -4.553 -0.012 7.894 1.00 0.00 C ATOM 845 CD2 LEU A 57 -3.832 -1.007 5.718 1.00 0.00 C ATOM 0 H LEU A 57 -3.690 -3.912 8.189 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.988 -2.854 6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.829 -1.812 8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.961 -0.866 7.719 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.724 -2.065 7.343 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.498 0.273 7.431 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.716 -0.221 8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.838 0.804 7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.786 -0.707 5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.099 -0.215 5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.485 -1.921 5.235 1.00 0.00 H new ATOM 857 N GLN A 58 -0.605 -3.796 9.021 1.00 0.00 N ATOM 858 CA GLN A 58 0.671 -4.135 9.644 1.00 0.00 C ATOM 859 C GLN A 58 1.495 -5.025 8.720 1.00 0.00 C ATOM 860 O GLN A 58 2.700 -4.832 8.563 1.00 0.00 O ATOM 861 CB GLN A 58 0.452 -4.852 10.978 1.00 0.00 C ATOM 862 CG GLN A 58 -0.215 -3.995 12.042 1.00 0.00 C ATOM 863 CD GLN A 58 -0.526 -4.777 13.305 1.00 0.00 C ATOM 864 OE1 GLN A 58 -0.779 -5.980 13.257 1.00 0.00 O ATOM 865 NE2 GLN A 58 -0.511 -4.100 14.443 1.00 0.00 N ATOM 0 H GLN A 58 -1.424 -4.075 9.562 1.00 0.00 H new ATOM 0 HA GLN A 58 1.211 -3.206 9.826 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.158 -5.738 10.806 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.415 -5.196 11.355 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.435 -3.156 12.289 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.138 -3.576 11.641 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.296 -3.103 14.440 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.714 -4.576 15.322 1.00 0.00 H new ATOM 874 N GLN A 59 0.828 -5.993 8.104 1.00 0.00 N ATOM 875 CA GLN A 59 1.486 -6.922 7.192 1.00 0.00 C ATOM 876 C GLN A 59 1.958 -6.213 5.924 1.00 0.00 C ATOM 877 O GLN A 59 3.051 -6.479 5.424 1.00 0.00 O ATOM 878 CB GLN A 59 0.540 -8.066 6.823 1.00 0.00 C ATOM 879 CG GLN A 59 0.098 -8.901 8.014 1.00 0.00 C ATOM 880 CD GLN A 59 -0.847 -10.022 7.623 1.00 0.00 C ATOM 881 OE1 GLN A 59 -1.611 -9.903 6.663 1.00 0.00 O ATOM 882 NE2 GLN A 59 -0.806 -11.117 8.364 1.00 0.00 N ATOM 0 H GLN A 59 -0.172 -6.156 8.220 1.00 0.00 H new ATOM 0 HA GLN A 59 2.359 -7.327 7.704 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.342 -7.653 6.333 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.033 -8.714 6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.976 -9.325 8.502 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.392 -8.256 8.743 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.159 -11.177 9.151 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.421 -11.902 8.149 1.00 0.00 H new ATOM 891 N ALA A 60 1.138 -5.298 5.423 1.00 0.00 N ATOM 892 CA ALA A 60 1.424 -4.609 4.166 1.00 0.00 C ATOM 893 C ALA A 60 2.433 -3.479 4.346 1.00 0.00 C ATOM 894 O ALA A 60 3.029 -3.017 3.377 1.00 0.00 O ATOM 895 CB ALA A 60 0.140 -4.066 3.560 1.00 0.00 C ATOM 0 H ALA A 60 0.266 -5.013 5.868 1.00 0.00 H new ATOM 0 HA ALA A 60 1.866 -5.340 3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.367 -3.555 2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.548 -4.889 3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.321 -3.364 4.254 1.00 0.00 H new ATOM 901 N ALA A 61 2.619 -3.037 5.582 1.00 0.00 N ATOM 902 CA ALA A 61 3.513 -1.921 5.872 1.00 0.00 C ATOM 903 C ALA A 61 4.978 -2.294 5.669 1.00 0.00 C ATOM 904 O ALA A 61 5.827 -1.421 5.501 1.00 0.00 O ATOM 905 CB ALA A 61 3.290 -1.424 7.290 1.00 0.00 C ATOM 0 H ALA A 61 2.162 -3.434 6.403 1.00 0.00 H new ATOM 0 HA ALA A 61 3.278 -1.123 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.963 -0.591 7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.258 -1.092 7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.489 -2.232 7.994 1.00 0.00 H new ATOM 911 N GLY A 62 5.269 -3.588 5.686 1.00 0.00 N ATOM 912 CA GLY A 62 6.638 -4.038 5.522 1.00 0.00 C ATOM 913 C GLY A 62 7.472 -3.773 6.758 1.00 0.00 C ATOM 914 O GLY A 62 8.600 -3.293 6.673 1.00 0.00 O ATOM 0 H GLY A 62 4.583 -4.333 5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.645 -5.105 5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.086 -3.533 4.667 1.00 0.00 H new ATOM 918 N LEU A 63 6.907 -4.094 7.913 1.00 0.00 N ATOM 919 CA LEU A 63 7.561 -3.846 9.189 1.00 0.00 C ATOM 920 C LEU A 63 8.547 -4.961 9.510 1.00 0.00 C ATOM 921 O LEU A 63 9.478 -4.779 10.294 1.00 0.00 O ATOM 922 CB LEU A 63 6.517 -3.736 10.303 1.00 0.00 C ATOM 923 CG LEU A 63 5.462 -2.648 10.098 1.00 0.00 C ATOM 924 CD1 LEU A 63 4.413 -2.712 11.196 1.00 0.00 C ATOM 925 CD2 LEU A 63 6.112 -1.273 10.060 1.00 0.00 C ATOM 0 H LEU A 63 5.989 -4.531 7.992 1.00 0.00 H new ATOM 0 HA LEU A 63 8.108 -2.906 9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.011 -4.697 10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.032 -3.548 11.245 1.00 0.00 H new ATOM 0 HG LEU A 63 4.970 -2.821 9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.670 -1.931 11.035 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.925 -3.687 11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.891 -2.564 12.165 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.345 -0.512 9.913 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.630 -1.089 11.001 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.827 -1.231 9.238 1.00 0.00 H new ATOM 1274 N ALA A 88 11.328 1.044 9.172 1.00 0.00 N ATOM 1275 CA ALA A 88 9.943 1.464 9.019 1.00 0.00 C ATOM 1276 C ALA A 88 9.829 2.563 7.965 1.00 0.00 C ATOM 1277 O ALA A 88 10.508 3.589 8.049 1.00 0.00 O ATOM 1278 CB ALA A 88 9.381 1.943 10.352 1.00 0.00 C ATOM 0 HA ALA A 88 9.358 0.606 8.686 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.345 2.253 10.219 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.427 1.132 11.079 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.969 2.787 10.713 1.00 0.00 H new ATOM 1284 N PRO A 89 8.973 2.353 6.951 1.00 0.00 N ATOM 1285 CA PRO A 89 8.792 3.307 5.856 1.00 0.00 C ATOM 1286 C PRO A 89 8.149 4.612 6.318 1.00 0.00 C ATOM 1287 O PRO A 89 7.430 4.645 7.318 1.00 0.00 O ATOM 1288 CB PRO A 89 7.862 2.571 4.888 1.00 0.00 C ATOM 1289 CG PRO A 89 7.136 1.584 5.734 1.00 0.00 C ATOM 1290 CD PRO A 89 8.109 1.167 6.801 1.00 0.00 C ATOM 0 HA PRO A 89 9.745 3.599 5.415 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.171 3.260 4.403 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.426 2.076 4.098 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.241 2.027 6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.811 0.727 5.144 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.602 0.918 7.733 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.680 0.288 6.504 1.00 0.00 H new ATOM 1298 N GLU A 90 8.412 5.685 5.586 1.00 0.00 N ATOM 1299 CA GLU A 90 7.833 6.980 5.899 1.00 0.00 C ATOM 1300 C GLU A 90 6.363 7.015 5.506 1.00 0.00 C ATOM 1301 O GLU A 90 5.518 7.517 6.255 1.00 0.00 O ATOM 1302 CB GLU A 90 8.591 8.105 5.183 1.00 0.00 C ATOM 1303 CG GLU A 90 7.872 9.447 5.237 1.00 0.00 C ATOM 1304 CD GLU A 90 8.657 10.574 4.600 1.00 0.00 C ATOM 1305 OE1 GLU A 90 9.026 10.462 3.412 1.00 0.00 O ATOM 1306 OE2 GLU A 90 8.897 11.589 5.288 1.00 0.00 O ATOM 0 H GLU A 90 9.024 5.682 4.770 1.00 0.00 H new ATOM 0 HA GLU A 90 7.917 7.134 6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.578 8.212 5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.744 7.824 4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.909 9.356 4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.667 9.699 6.277 1.00 0.00 H new ATOM 1313 N VAL A 91 6.056 6.473 4.338 1.00 0.00 N ATOM 1314 CA VAL A 91 4.705 6.563 3.809 1.00 0.00 C ATOM 1315 C VAL A 91 4.224 5.226 3.242 1.00 0.00 C ATOM 1316 O VAL A 91 4.983 4.487 2.611 1.00 0.00 O ATOM 1317 CB VAL A 91 4.607 7.684 2.741 1.00 0.00 C ATOM 1318 CG1 VAL A 91 5.674 7.520 1.672 1.00 0.00 C ATOM 1319 CG2 VAL A 91 3.220 7.733 2.112 1.00 0.00 C ATOM 0 H VAL A 91 6.716 5.971 3.744 1.00 0.00 H new ATOM 0 HA VAL A 91 4.046 6.818 4.639 1.00 0.00 H new ATOM 0 HB VAL A 91 4.779 8.633 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.580 8.320 0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.661 7.565 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.548 6.557 1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.186 8.529 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.004 6.778 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.476 7.926 2.885 1.00 0.00 H new ATOM 1329 N LEU A 92 2.962 4.919 3.507 1.00 0.00 N ATOM 1330 CA LEU A 92 2.328 3.712 3.002 1.00 0.00 C ATOM 1331 C LEU A 92 1.159 4.093 2.099 1.00 0.00 C ATOM 1332 O LEU A 92 0.247 4.802 2.523 1.00 0.00 O ATOM 1333 CB LEU A 92 1.833 2.845 4.168 1.00 0.00 C ATOM 1334 CG LEU A 92 1.133 1.541 3.771 1.00 0.00 C ATOM 1335 CD1 LEU A 92 2.116 0.573 3.137 1.00 0.00 C ATOM 1336 CD2 LEU A 92 0.466 0.905 4.980 1.00 0.00 C ATOM 0 H LEU A 92 2.350 5.501 4.079 1.00 0.00 H new ATOM 0 HA LEU A 92 3.055 3.138 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.685 2.601 4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.145 3.437 4.771 1.00 0.00 H new ATOM 0 HG LEU A 92 0.364 1.778 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.597 -0.346 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.548 1.026 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.910 0.343 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.026 -0.020 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.219 0.686 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.273 1.592 5.391 1.00 0.00 H new ATOM 1348 N LEU A 93 1.194 3.635 0.860 1.00 0.00 N ATOM 1349 CA LEU A 93 0.150 3.961 -0.101 1.00 0.00 C ATOM 1350 C LEU A 93 -0.779 2.774 -0.306 1.00 0.00 C ATOM 1351 O LEU A 93 -0.339 1.689 -0.683 1.00 0.00 O ATOM 1352 CB LEU A 93 0.766 4.380 -1.438 1.00 0.00 C ATOM 1353 CG LEU A 93 1.629 5.642 -1.394 1.00 0.00 C ATOM 1354 CD1 LEU A 93 2.247 5.909 -2.756 1.00 0.00 C ATOM 1355 CD2 LEU A 93 0.803 6.839 -0.939 1.00 0.00 C ATOM 0 H LEU A 93 1.934 3.036 0.494 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.430 4.794 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.374 3.557 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.038 4.535 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 93 2.432 5.486 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.858 6.810 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.871 5.063 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.456 6.046 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.434 7.728 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.021 6.998 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.405 6.648 0.057 1.00 0.00 H new ATOM 1367 N VAL A 94 -2.059 2.978 -0.043 1.00 0.00 N ATOM 1368 CA VAL A 94 -3.047 1.925 -0.227 1.00 0.00 C ATOM 1369 C VAL A 94 -3.928 2.231 -1.433 1.00 0.00 C ATOM 1370 O VAL A 94 -4.690 3.199 -1.423 1.00 0.00 O ATOM 1371 CB VAL A 94 -3.936 1.752 1.025 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -4.940 0.626 0.827 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -3.080 1.495 2.256 1.00 0.00 C ATOM 0 H VAL A 94 -2.439 3.861 0.298 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.504 0.995 -0.394 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.491 2.678 1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.554 0.524 1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.578 0.854 -0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.408 -0.308 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.723 1.376 3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.495 0.587 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.407 2.338 2.414 1.00 0.00 H new ATOM 1383 N GLY A 95 -3.810 1.407 -2.469 1.00 0.00 N ATOM 1384 CA GLY A 95 -4.584 1.605 -3.679 1.00 0.00 C ATOM 1385 C GLY A 95 -6.020 1.149 -3.522 1.00 0.00 C ATOM 1386 O GLY A 95 -6.352 -0.002 -3.802 1.00 0.00 O ATOM 0 H GLY A 95 -3.187 0.600 -2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.568 2.661 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.119 1.058 -4.499 1.00 0.00 H new ATOM 1390 N THR A 96 -6.870 2.061 -3.085 1.00 0.00 N ATOM 1391 CA THR A 96 -8.266 1.757 -2.817 1.00 0.00 C ATOM 1392 C THR A 96 -9.173 2.305 -3.918 1.00 0.00 C ATOM 1393 O THR A 96 -10.326 2.640 -3.674 1.00 0.00 O ATOM 1394 CB THR A 96 -8.694 2.347 -1.459 1.00 0.00 C ATOM 1395 OG1 THR A 96 -7.714 3.297 -1.009 1.00 0.00 O ATOM 1396 CG2 THR A 96 -8.868 1.252 -0.417 1.00 0.00 C ATOM 0 H THR A 96 -6.614 3.032 -2.906 1.00 0.00 H new ATOM 0 HA THR A 96 -8.368 0.672 -2.790 1.00 0.00 H new ATOM 0 HB THR A 96 -9.653 2.848 -1.592 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.992 3.670 -0.146 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.170 1.697 0.531 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.634 0.552 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.925 0.722 -0.285 1.00 0.00 H new ATOM 1404 N GLY A 97 -8.661 2.343 -5.142 1.00 0.00 N ATOM 1405 CA GLY A 97 -9.406 2.935 -6.242 1.00 0.00 C ATOM 1406 C GLY A 97 -10.578 2.085 -6.697 1.00 0.00 C ATOM 1407 O GLY A 97 -11.454 2.561 -7.418 1.00 0.00 O ATOM 0 H GLY A 97 -7.744 1.975 -5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.773 3.915 -5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.733 3.094 -7.084 1.00 0.00 H new ATOM 1411 N ARG A 98 -10.593 0.826 -6.281 1.00 0.00 N ATOM 1412 CA ARG A 98 -11.676 -0.085 -6.638 1.00 0.00 C ATOM 1413 C ARG A 98 -12.864 0.101 -5.691 1.00 0.00 C ATOM 1414 O ARG A 98 -14.003 -0.242 -6.017 1.00 0.00 O ATOM 1415 CB ARG A 98 -11.180 -1.534 -6.596 1.00 0.00 C ATOM 1416 CG ARG A 98 -12.215 -2.541 -7.060 1.00 0.00 C ATOM 1417 CD ARG A 98 -11.687 -3.963 -6.991 1.00 0.00 C ATOM 1418 NE ARG A 98 -12.724 -4.929 -7.337 1.00 0.00 N ATOM 1419 CZ ARG A 98 -12.773 -6.175 -6.873 1.00 0.00 C ATOM 1420 NH1 ARG A 98 -11.773 -6.663 -6.144 1.00 0.00 N ATOM 1421 NH2 ARG A 98 -13.811 -6.942 -7.172 1.00 0.00 N ATOM 0 H ARG A 98 -9.868 0.411 -5.696 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.006 0.143 -7.652 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.291 -1.624 -7.221 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.879 -1.777 -5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -13.109 -2.455 -6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.512 -2.312 -8.084 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.842 -4.073 -7.671 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.316 -4.168 -5.987 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.460 -4.629 -7.977 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.961 -6.081 -5.937 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.818 -7.619 -5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.565 -6.576 -7.754 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.856 -7.898 -6.820 1.00 0.00 H new ATOM 1435 N ARG A 99 -12.579 0.649 -4.520 1.00 0.00 N ATOM 1436 CA ARG A 99 -13.593 0.936 -3.514 1.00 0.00 C ATOM 1437 C ARG A 99 -12.970 1.802 -2.434 1.00 0.00 C ATOM 1438 O ARG A 99 -12.362 1.289 -1.493 1.00 0.00 O ATOM 1439 CB ARG A 99 -14.156 -0.355 -2.899 1.00 0.00 C ATOM 1440 CG ARG A 99 -15.299 -0.127 -1.913 1.00 0.00 C ATOM 1441 CD ARG A 99 -16.530 0.444 -2.601 1.00 0.00 C ATOM 1442 NE ARG A 99 -17.649 0.636 -1.675 1.00 0.00 N ATOM 1443 CZ ARG A 99 -18.926 0.417 -1.994 1.00 0.00 C ATOM 1444 NH1 ARG A 99 -19.245 -0.040 -3.200 1.00 0.00 N ATOM 1445 NH2 ARG A 99 -19.883 0.649 -1.099 1.00 0.00 N ATOM 0 H ARG A 99 -11.634 0.909 -4.238 1.00 0.00 H new ATOM 0 HA ARG A 99 -14.424 1.460 -3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -14.506 -1.005 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.350 -0.884 -2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.556 -1.070 -1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -14.972 0.555 -1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.275 1.398 -3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.837 -0.226 -3.404 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.439 0.956 -0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -18.513 -0.225 -3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -20.222 -0.206 -3.440 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -19.640 0.994 -0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -20.860 0.482 -1.342 1.00 0.00 H new ATOM 1459 N GLN A 100 -13.069 3.113 -2.614 1.00 0.00 N ATOM 1460 CA GLN A 100 -12.454 4.067 -1.709 1.00 0.00 C ATOM 1461 C GLN A 100 -12.937 3.863 -0.279 1.00 0.00 C ATOM 1462 O GLN A 100 -14.080 4.179 0.058 1.00 0.00 O ATOM 1463 CB GLN A 100 -12.755 5.489 -2.171 1.00 0.00 C ATOM 1464 CG GLN A 100 -12.268 5.787 -3.580 1.00 0.00 C ATOM 1465 CD GLN A 100 -12.561 7.212 -4.003 1.00 0.00 C ATOM 1466 OE1 GLN A 100 -13.540 7.816 -3.556 1.00 0.00 O ATOM 1467 NE2 GLN A 100 -11.735 7.750 -4.885 1.00 0.00 N ATOM 0 H GLN A 100 -13.576 3.540 -3.389 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.376 3.905 -1.723 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -13.831 5.657 -2.124 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.292 6.193 -1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.194 5.608 -3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -12.743 5.098 -4.279 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.937 7.215 -5.229 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.896 8.699 -5.221 1.00 0.00 H new ATOM 1476 N HIS A 101 -12.064 3.312 0.547 1.00 0.00 N ATOM 1477 CA HIS A 101 -12.385 3.048 1.936 1.00 0.00 C ATOM 1478 C HIS A 101 -11.499 3.911 2.823 1.00 0.00 C ATOM 1479 O HIS A 101 -10.328 3.597 3.031 1.00 0.00 O ATOM 1480 CB HIS A 101 -12.180 1.561 2.248 1.00 0.00 C ATOM 1481 CG HIS A 101 -13.100 1.026 3.304 1.00 0.00 C ATOM 1482 ND1 HIS A 101 -12.660 0.419 4.461 1.00 0.00 N ATOM 1483 CD2 HIS A 101 -14.452 0.981 3.352 1.00 0.00 C ATOM 1484 CE1 HIS A 101 -13.700 0.023 5.172 1.00 0.00 C ATOM 1485 NE2 HIS A 101 -14.797 0.353 4.521 1.00 0.00 N ATOM 0 H HIS A 101 -11.120 3.037 0.275 1.00 0.00 H new ATOM 0 HA HIS A 101 -13.429 3.294 2.127 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -12.321 0.986 1.333 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -11.149 1.406 2.567 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -15.132 1.368 2.608 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -13.658 -0.485 6.124 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -15.750 0.171 4.836 1.00 0.00 H new ATOM 1494 N LEU A 102 -12.056 5.017 3.301 1.00 0.00 N ATOM 1495 CA LEU A 102 -11.304 5.977 4.105 1.00 0.00 C ATOM 1496 C LEU A 102 -10.779 5.336 5.378 1.00 0.00 C ATOM 1497 O LEU A 102 -11.548 4.966 6.266 1.00 0.00 O ATOM 1498 CB LEU A 102 -12.178 7.184 4.453 1.00 0.00 C ATOM 1499 CG LEU A 102 -12.669 8.002 3.257 1.00 0.00 C ATOM 1500 CD1 LEU A 102 -13.569 9.134 3.722 1.00 0.00 C ATOM 1501 CD2 LEU A 102 -11.491 8.549 2.463 1.00 0.00 C ATOM 0 H LEU A 102 -13.031 5.274 3.146 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.452 6.311 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -13.045 6.834 5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.614 7.841 5.115 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.247 7.346 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.910 9.706 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.431 8.722 4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.013 9.788 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.860 9.128 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.886 9.190 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.882 7.722 2.099 1.00 0.00 H new ATOM 1513 N LEU A 103 -9.465 5.189 5.450 1.00 0.00 N ATOM 1514 CA LEU A 103 -8.823 4.626 6.625 1.00 0.00 C ATOM 1515 C LEU A 103 -8.953 5.581 7.806 1.00 0.00 C ATOM 1516 O LEU A 103 -8.715 6.783 7.681 1.00 0.00 O ATOM 1517 CB LEU A 103 -7.352 4.318 6.331 1.00 0.00 C ATOM 1518 CG LEU A 103 -7.121 3.266 5.242 1.00 0.00 C ATOM 1519 CD1 LEU A 103 -5.637 3.103 4.959 1.00 0.00 C ATOM 1520 CD2 LEU A 103 -7.733 1.933 5.650 1.00 0.00 C ATOM 0 H LEU A 103 -8.821 5.453 4.704 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.321 3.692 6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.854 5.242 6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.876 3.979 7.251 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.609 3.607 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.495 2.351 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.224 4.054 4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.126 2.787 5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.559 1.197 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.273 1.590 6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.805 2.056 5.801 1.00 0.00 H new ATOM 1532 N GLY A 104 -9.339 5.037 8.947 1.00 0.00 N ATOM 1533 CA GLY A 104 -9.603 5.859 10.105 1.00 0.00 C ATOM 1534 C GLY A 104 -8.519 5.751 11.155 1.00 0.00 C ATOM 1535 O GLY A 104 -7.595 4.945 11.016 1.00 0.00 O ATOM 0 H GLY A 104 -9.475 4.036 9.092 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -9.699 6.899 9.793 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.558 5.568 10.543 1.00 0.00 H new ATOM 1539 N PRO A 105 -8.632 6.540 12.235 1.00 0.00 N ATOM 1540 CA PRO A 105 -7.602 6.642 13.275 1.00 0.00 C ATOM 1541 C PRO A 105 -7.229 5.292 13.876 1.00 0.00 C ATOM 1542 O PRO A 105 -6.054 4.970 14.000 1.00 0.00 O ATOM 1543 CB PRO A 105 -8.245 7.538 14.345 1.00 0.00 C ATOM 1544 CG PRO A 105 -9.700 7.554 14.023 1.00 0.00 C ATOM 1545 CD PRO A 105 -9.788 7.398 12.535 1.00 0.00 C ATOM 0 HA PRO A 105 -6.671 7.038 12.869 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.068 7.144 15.346 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.826 8.544 14.320 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.223 6.745 14.533 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -10.162 8.486 14.347 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -10.727 6.935 12.231 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -9.725 8.358 12.022 1.00 0.00 H new ATOM 1553 N GLU A 106 -8.232 4.499 14.228 1.00 0.00 N ATOM 1554 CA GLU A 106 -8.002 3.220 14.893 1.00 0.00 C ATOM 1555 C GLU A 106 -7.388 2.196 13.945 1.00 0.00 C ATOM 1556 O GLU A 106 -6.702 1.270 14.377 1.00 0.00 O ATOM 1557 CB GLU A 106 -9.313 2.677 15.450 1.00 0.00 C ATOM 1558 CG GLU A 106 -10.007 3.631 16.401 1.00 0.00 C ATOM 1559 CD GLU A 106 -11.321 3.084 16.904 1.00 0.00 C ATOM 1560 OE1 GLU A 106 -12.310 3.112 16.143 1.00 0.00 O ATOM 1561 OE2 GLU A 106 -11.373 2.624 18.063 1.00 0.00 O ATOM 0 H GLU A 106 -9.215 4.718 14.065 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.299 3.394 15.707 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.984 2.450 14.622 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -9.117 1.738 15.968 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.353 3.835 17.249 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -10.181 4.581 15.896 1.00 0.00 H new ATOM 1568 N GLN A 107 -7.629 2.374 12.656 1.00 0.00 N ATOM 1569 CA GLN A 107 -7.164 1.425 11.654 1.00 0.00 C ATOM 1570 C GLN A 107 -5.679 1.618 11.364 1.00 0.00 C ATOM 1571 O GLN A 107 -4.936 0.650 11.224 1.00 0.00 O ATOM 1572 CB GLN A 107 -7.978 1.569 10.368 1.00 0.00 C ATOM 1573 CG GLN A 107 -9.455 1.246 10.546 1.00 0.00 C ATOM 1574 CD GLN A 107 -10.264 1.516 9.292 1.00 0.00 C ATOM 1575 OE1 GLN A 107 -9.938 2.405 8.510 1.00 0.00 O ATOM 1576 NE2 GLN A 107 -11.334 0.766 9.098 1.00 0.00 N ATOM 0 H GLN A 107 -8.145 3.168 12.277 1.00 0.00 H new ATOM 0 HA GLN A 107 -7.304 0.419 12.050 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.879 2.589 9.997 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.559 0.911 9.607 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.563 0.198 10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.857 1.838 11.368 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.574 0.036 9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.920 0.916 8.277 1.00 0.00 H new ATOM 1585 N VAL A 108 -5.246 2.869 11.283 1.00 0.00 N ATOM 1586 CA VAL A 108 -3.851 3.169 10.980 1.00 0.00 C ATOM 1587 C VAL A 108 -3.070 3.540 12.239 1.00 0.00 C ATOM 1588 O VAL A 108 -1.887 3.874 12.169 1.00 0.00 O ATOM 1589 CB VAL A 108 -3.727 4.309 9.943 1.00 0.00 C ATOM 1590 CG1 VAL A 108 -4.310 3.878 8.606 1.00 0.00 C ATOM 1591 CG2 VAL A 108 -4.415 5.571 10.440 1.00 0.00 C ATOM 0 H VAL A 108 -5.836 3.689 11.422 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.423 2.260 10.556 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.668 4.530 9.806 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.214 4.692 7.888 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.771 3.005 8.238 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.363 3.627 8.732 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.314 6.359 9.693 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.472 5.366 10.611 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.953 5.894 11.373 1.00 0.00 H new ATOM 1601 N ARG A 109 -3.735 3.449 13.388 1.00 0.00 N ATOM 1602 CA ARG A 109 -3.139 3.819 14.675 1.00 0.00 C ATOM 1603 C ARG A 109 -1.813 3.092 14.947 1.00 0.00 C ATOM 1604 O ARG A 109 -0.830 3.742 15.310 1.00 0.00 O ATOM 1605 CB ARG A 109 -4.133 3.577 15.820 1.00 0.00 C ATOM 1606 CG ARG A 109 -3.594 3.953 17.190 1.00 0.00 C ATOM 1607 CD ARG A 109 -4.711 4.326 18.155 1.00 0.00 C ATOM 1608 NE ARG A 109 -5.673 3.246 18.362 1.00 0.00 N ATOM 1609 CZ ARG A 109 -6.835 3.403 18.999 1.00 0.00 C ATOM 1610 NH1 ARG A 109 -7.162 4.588 19.505 1.00 0.00 N ATOM 1611 NH2 ARG A 109 -7.666 2.377 19.139 1.00 0.00 N ATOM 0 H ARG A 109 -4.698 3.119 13.457 1.00 0.00 H new ATOM 0 HA ARG A 109 -2.909 4.883 14.621 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -5.041 4.149 15.628 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.415 2.524 15.827 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -3.025 3.118 17.598 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -2.904 4.791 17.092 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -4.276 4.606 19.114 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -5.234 5.203 17.774 1.00 0.00 H new ATOM 0 HE ARG A 109 -5.444 2.321 17.999 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -6.524 5.378 19.406 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.050 4.707 19.992 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.417 1.464 18.759 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -8.553 2.502 19.627 1.00 0.00 H new ATOM 1625 N PRO A 110 -1.747 1.747 14.778 1.00 0.00 N ATOM 1626 CA PRO A 110 -0.503 0.993 14.991 1.00 0.00 C ATOM 1627 C PRO A 110 0.668 1.554 14.187 1.00 0.00 C ATOM 1628 O PRO A 110 1.811 1.544 14.642 1.00 0.00 O ATOM 1629 CB PRO A 110 -0.844 -0.416 14.503 1.00 0.00 C ATOM 1630 CG PRO A 110 -2.319 -0.525 14.651 1.00 0.00 C ATOM 1631 CD PRO A 110 -2.864 0.852 14.400 1.00 0.00 C ATOM 0 HA PRO A 110 -0.185 1.036 16.033 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.539 -0.560 13.466 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.330 -1.174 15.094 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.730 -1.243 13.941 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.586 -0.874 15.648 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.148 0.986 13.356 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.753 1.046 15.000 1.00 0.00 H new ATOM 1639 N LEU A 111 0.370 2.061 12.999 1.00 0.00 N ATOM 1640 CA LEU A 111 1.399 2.572 12.105 1.00 0.00 C ATOM 1641 C LEU A 111 1.710 4.033 12.413 1.00 0.00 C ATOM 1642 O LEU A 111 2.857 4.467 12.303 1.00 0.00 O ATOM 1643 CB LEU A 111 0.962 2.402 10.648 1.00 0.00 C ATOM 1644 CG LEU A 111 0.674 0.954 10.234 1.00 0.00 C ATOM 1645 CD1 LEU A 111 0.243 0.885 8.781 1.00 0.00 C ATOM 1646 CD2 LEU A 111 1.896 0.080 10.470 1.00 0.00 C ATOM 0 H LEU A 111 -0.579 2.129 12.631 1.00 0.00 H new ATOM 0 HA LEU A 111 2.312 1.998 12.262 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.066 3.000 10.479 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.741 2.804 9.999 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.144 0.579 10.850 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.044 -0.152 8.509 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.662 1.477 8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.037 1.280 8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.674 -0.944 10.171 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.732 0.457 9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.159 0.100 11.528 1.00 0.00 H new ATOM 1658 N LEU A 112 0.692 4.786 12.820 1.00 0.00 N ATOM 1659 CA LEU A 112 0.887 6.174 13.228 1.00 0.00 C ATOM 1660 C LEU A 112 1.775 6.238 14.464 1.00 0.00 C ATOM 1661 O LEU A 112 2.577 7.158 14.619 1.00 0.00 O ATOM 1662 CB LEU A 112 -0.453 6.856 13.518 1.00 0.00 C ATOM 1663 CG LEU A 112 -1.405 6.975 12.327 1.00 0.00 C ATOM 1664 CD1 LEU A 112 -2.666 7.721 12.731 1.00 0.00 C ATOM 1665 CD2 LEU A 112 -0.721 7.670 11.158 1.00 0.00 C ATOM 0 H LEU A 112 -0.273 4.460 12.876 1.00 0.00 H new ATOM 0 HA LEU A 112 1.372 6.702 12.407 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.958 6.303 14.310 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.255 7.856 13.904 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.685 5.971 12.008 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.334 7.798 11.873 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.167 7.180 13.534 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.402 8.721 13.076 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.416 7.744 10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.410 8.670 11.461 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.153 7.094 10.853 1.00 0.00 H new ATOM 1677 N ALA A 113 1.639 5.238 15.327 1.00 0.00 N ATOM 1678 CA ALA A 113 2.446 5.149 16.539 1.00 0.00 C ATOM 1679 C ALA A 113 3.906 4.845 16.207 1.00 0.00 C ATOM 1680 O ALA A 113 4.785 4.955 17.062 1.00 0.00 O ATOM 1681 CB ALA A 113 1.882 4.085 17.469 1.00 0.00 C ATOM 0 H ALA A 113 0.974 4.474 15.209 1.00 0.00 H new ATOM 0 HA ALA A 113 2.409 6.115 17.043 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.493 4.028 18.370 1.00 0.00 H new ATOM 0 HB2 ALA A 113 0.859 4.344 17.740 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.890 3.119 16.964 1.00 0.00 H new ATOM 1687 N MET A 114 4.157 4.450 14.964 1.00 0.00 N ATOM 1688 CA MET A 114 5.513 4.178 14.504 1.00 0.00 C ATOM 1689 C MET A 114 6.048 5.353 13.695 1.00 0.00 C ATOM 1690 O MET A 114 7.257 5.565 13.610 1.00 0.00 O ATOM 1691 CB MET A 114 5.550 2.903 13.658 1.00 0.00 C ATOM 1692 CG MET A 114 5.140 1.652 14.416 1.00 0.00 C ATOM 1693 SD MET A 114 5.233 0.166 13.402 1.00 0.00 S ATOM 1694 CE MET A 114 4.646 -1.066 14.563 1.00 0.00 C ATOM 0 H MET A 114 3.437 4.311 14.255 1.00 0.00 H new ATOM 0 HA MET A 114 6.146 4.036 15.380 1.00 0.00 H new ATOM 0 HB2 MET A 114 4.891 3.029 12.799 1.00 0.00 H new ATOM 0 HB3 MET A 114 6.559 2.766 13.268 1.00 0.00 H new ATOM 0 HG2 MET A 114 5.783 1.533 15.288 1.00 0.00 H new ATOM 0 HG3 MET A 114 4.121 1.773 14.785 1.00 0.00 H new ATOM 0 HE1 MET A 114 5.188 -1.999 14.409 1.00 0.00 H new ATOM 0 HE2 MET A 114 4.811 -0.714 15.581 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.581 -1.236 14.406 1.00 0.00 H new ATOM 1704 N GLY A 115 5.139 6.121 13.107 1.00 0.00 N ATOM 1705 CA GLY A 115 5.535 7.258 12.299 1.00 0.00 C ATOM 1706 C GLY A 115 5.334 7.002 10.820 1.00 0.00 C ATOM 1707 O GLY A 115 5.917 7.687 9.978 1.00 0.00 O ATOM 0 H GLY A 115 4.132 5.976 13.176 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.957 8.133 12.597 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.583 7.489 12.488 1.00 0.00 H new ATOM 1711 N VAL A 116 4.509 6.010 10.508 1.00 0.00 N ATOM 1712 CA VAL A 116 4.212 5.663 9.128 1.00 0.00 C ATOM 1713 C VAL A 116 2.935 6.360 8.672 1.00 0.00 C ATOM 1714 O VAL A 116 1.862 6.139 9.238 1.00 0.00 O ATOM 1715 CB VAL A 116 4.047 4.136 8.950 1.00 0.00 C ATOM 1716 CG1 VAL A 116 3.840 3.780 7.484 1.00 0.00 C ATOM 1717 CG2 VAL A 116 5.246 3.394 9.522 1.00 0.00 C ATOM 0 H VAL A 116 4.032 5.430 11.198 1.00 0.00 H new ATOM 0 HA VAL A 116 5.053 5.995 8.520 1.00 0.00 H new ATOM 0 HB VAL A 116 3.160 3.825 9.502 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.726 2.701 7.384 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.943 4.275 7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.702 4.109 6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.109 2.321 9.386 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.151 3.712 9.005 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.338 3.616 10.585 1.00 0.00 H new ATOM 1727 N GLY A 117 3.057 7.211 7.664 1.00 0.00 N ATOM 1728 CA GLY A 117 1.902 7.913 7.145 1.00 0.00 C ATOM 1729 C GLY A 117 1.188 7.106 6.086 1.00 0.00 C ATOM 1730 O GLY A 117 1.724 6.887 5.000 1.00 0.00 O ATOM 0 H GLY A 117 3.937 7.428 7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 117 1.213 8.134 7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 117 2.215 8.869 6.725 1.00 0.00 H new ATOM 1734 N VAL A 118 -0.008 6.643 6.403 1.00 0.00 N ATOM 1735 CA VAL A 118 -0.770 5.813 5.482 1.00 0.00 C ATOM 1736 C VAL A 118 -1.773 6.651 4.697 1.00 0.00 C ATOM 1737 O VAL A 118 -2.665 7.273 5.274 1.00 0.00 O ATOM 1738 CB VAL A 118 -1.519 4.689 6.226 1.00 0.00 C ATOM 1739 CG1 VAL A 118 -2.157 3.724 5.241 1.00 0.00 C ATOM 1740 CG2 VAL A 118 -0.582 3.954 7.171 1.00 0.00 C ATOM 0 H VAL A 118 -0.474 6.827 7.291 1.00 0.00 H new ATOM 0 HA VAL A 118 -0.057 5.363 4.791 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.313 5.143 6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.680 2.939 5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.866 4.262 4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.383 3.277 4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.130 3.165 7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.237 3.515 6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.181 4.655 7.903 1.00 0.00 H new ATOM 1750 N GLU A 119 -1.619 6.659 3.382 1.00 0.00 N ATOM 1751 CA GLU A 119 -2.493 7.425 2.509 1.00 0.00 C ATOM 1752 C GLU A 119 -3.417 6.507 1.720 1.00 0.00 C ATOM 1753 O GLU A 119 -2.961 5.657 0.952 1.00 0.00 O ATOM 1754 CB GLU A 119 -1.665 8.283 1.549 1.00 0.00 C ATOM 1755 CG GLU A 119 -1.035 9.500 2.204 1.00 0.00 C ATOM 1756 CD GLU A 119 -2.056 10.562 2.555 1.00 0.00 C ATOM 1757 OE1 GLU A 119 -2.487 11.299 1.642 1.00 0.00 O ATOM 1758 OE2 GLU A 119 -2.435 10.674 3.740 1.00 0.00 O ATOM 0 H GLU A 119 -0.890 6.139 2.893 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.106 8.076 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -0.878 7.668 1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.303 8.613 0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.511 9.191 3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.289 9.925 1.532 1.00 0.00 H new ATOM 1765 N ALA A 120 -4.716 6.671 1.929 1.00 0.00 N ATOM 1766 CA ALA A 120 -5.712 5.936 1.166 1.00 0.00 C ATOM 1767 C ALA A 120 -6.008 6.672 -0.135 1.00 0.00 C ATOM 1768 O ALA A 120 -6.655 7.722 -0.133 1.00 0.00 O ATOM 1769 CB ALA A 120 -6.982 5.751 1.983 1.00 0.00 C ATOM 0 H ALA A 120 -5.104 7.309 2.623 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.320 4.947 0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.715 5.199 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.752 5.195 2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.389 6.727 2.248 1.00 0.00 H new ATOM 1775 N MET A 121 -5.525 6.130 -1.238 1.00 0.00 N ATOM 1776 CA MET A 121 -5.607 6.812 -2.520 1.00 0.00 C ATOM 1777 C MET A 121 -6.074 5.843 -3.600 1.00 0.00 C ATOM 1778 O MET A 121 -6.050 4.631 -3.399 1.00 0.00 O ATOM 1779 CB MET A 121 -4.232 7.389 -2.876 1.00 0.00 C ATOM 1780 CG MET A 121 -4.249 8.389 -4.021 1.00 0.00 C ATOM 1781 SD MET A 121 -2.594 8.916 -4.509 1.00 0.00 S ATOM 1782 CE MET A 121 -1.970 9.578 -2.966 1.00 0.00 C ATOM 0 H MET A 121 -5.071 5.218 -1.273 1.00 0.00 H new ATOM 0 HA MET A 121 -6.330 7.625 -2.454 1.00 0.00 H new ATOM 0 HB2 MET A 121 -3.815 7.873 -1.993 1.00 0.00 H new ATOM 0 HB3 MET A 121 -3.563 6.569 -3.136 1.00 0.00 H new ATOM 0 HG2 MET A 121 -4.752 7.944 -4.879 1.00 0.00 H new ATOM 0 HG3 MET A 121 -4.832 9.262 -3.727 1.00 0.00 H new ATOM 0 HE1 MET A 121 -1.111 10.218 -3.166 1.00 0.00 H new ATOM 0 HE2 MET A 121 -2.751 10.161 -2.478 1.00 0.00 H new ATOM 0 HE3 MET A 121 -1.668 8.758 -2.314 1.00 0.00 H new ATOM 1792 N ASP A 122 -6.515 6.377 -4.734 1.00 0.00 N ATOM 1793 CA ASP A 122 -6.920 5.549 -5.864 1.00 0.00 C ATOM 1794 C ASP A 122 -5.760 4.672 -6.318 1.00 0.00 C ATOM 1795 O ASP A 122 -4.602 5.065 -6.199 1.00 0.00 O ATOM 1796 CB ASP A 122 -7.400 6.419 -7.026 1.00 0.00 C ATOM 1797 CG ASP A 122 -8.601 7.265 -6.659 1.00 0.00 C ATOM 1798 OD1 ASP A 122 -9.726 6.726 -6.633 1.00 0.00 O ATOM 1799 OD2 ASP A 122 -8.422 8.472 -6.394 1.00 0.00 O ATOM 0 H ASP A 122 -6.601 7.381 -4.895 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.744 4.912 -5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -6.587 7.069 -7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.654 5.781 -7.873 1.00 0.00 H new ATOM 1804 N THR A 123 -6.073 3.499 -6.849 1.00 0.00 N ATOM 1805 CA THR A 123 -5.057 2.511 -7.187 1.00 0.00 C ATOM 1806 C THR A 123 -4.067 3.059 -8.217 1.00 0.00 C ATOM 1807 O THR A 123 -2.852 2.947 -8.045 1.00 0.00 O ATOM 1808 CB THR A 123 -5.713 1.221 -7.719 1.00 0.00 C ATOM 1809 OG1 THR A 123 -6.801 0.842 -6.860 1.00 0.00 O ATOM 1810 CG2 THR A 123 -4.703 0.084 -7.788 1.00 0.00 C ATOM 0 H THR A 123 -7.028 3.206 -7.056 1.00 0.00 H new ATOM 0 HA THR A 123 -4.505 2.280 -6.276 1.00 0.00 H new ATOM 0 HB THR A 123 -6.085 1.416 -8.725 1.00 0.00 H new ATOM 0 HG1 THR A 123 -7.217 0.023 -7.201 1.00 0.00 H new ATOM 0 HG21 THR A 123 -5.191 -0.814 -8.166 1.00 0.00 H new ATOM 0 HG22 THR A 123 -3.887 0.362 -8.455 1.00 0.00 H new ATOM 0 HG23 THR A 123 -4.306 -0.111 -6.792 1.00 0.00 H new ATOM 1818 N GLN A 124 -4.590 3.677 -9.270 1.00 0.00 N ATOM 1819 CA GLN A 124 -3.747 4.245 -10.315 1.00 0.00 C ATOM 1820 C GLN A 124 -2.998 5.469 -9.794 1.00 0.00 C ATOM 1821 O GLN A 124 -1.817 5.662 -10.083 1.00 0.00 O ATOM 1822 CB GLN A 124 -4.593 4.633 -11.527 1.00 0.00 C ATOM 1823 CG GLN A 124 -3.774 5.085 -12.726 1.00 0.00 C ATOM 1824 CD GLN A 124 -4.637 5.648 -13.836 1.00 0.00 C ATOM 1825 OE1 GLN A 124 -5.793 5.258 -13.994 1.00 0.00 O ATOM 1826 NE2 GLN A 124 -4.081 6.556 -14.618 1.00 0.00 N ATOM 0 H GLN A 124 -5.591 3.797 -9.422 1.00 0.00 H new ATOM 0 HA GLN A 124 -3.020 3.490 -10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -5.207 3.781 -11.818 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.275 5.434 -11.241 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.057 5.842 -12.408 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -3.199 4.242 -13.109 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -3.119 6.852 -14.452 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -4.614 6.961 -15.388 1.00 0.00 H new ATOM 1835 N ALA A 125 -3.694 6.285 -9.011 1.00 0.00 N ATOM 1836 CA ALA A 125 -3.110 7.500 -8.456 1.00 0.00 C ATOM 1837 C ALA A 125 -1.975 7.169 -7.491 1.00 0.00 C ATOM 1838 O ALA A 125 -0.935 7.832 -7.488 1.00 0.00 O ATOM 1839 CB ALA A 125 -4.181 8.326 -7.762 1.00 0.00 C ATOM 0 H ALA A 125 -4.666 6.127 -8.746 1.00 0.00 H new ATOM 0 HA ALA A 125 -2.692 8.086 -9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.733 9.231 -7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.954 8.598 -8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.625 7.742 -6.955 1.00 0.00 H new ATOM 1845 N ALA A 126 -2.172 6.133 -6.684 1.00 0.00 N ATOM 1846 CA ALA A 126 -1.154 5.688 -5.743 1.00 0.00 C ATOM 1847 C ALA A 126 0.082 5.193 -6.481 1.00 0.00 C ATOM 1848 O ALA A 126 1.206 5.415 -6.038 1.00 0.00 O ATOM 1849 CB ALA A 126 -1.706 4.600 -4.835 1.00 0.00 C ATOM 0 H ALA A 126 -3.032 5.584 -6.664 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.865 6.538 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -0.931 4.280 -4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.557 4.989 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -2.026 3.750 -5.438 1.00 0.00 H new ATOM 1855 N ALA A 127 -0.137 4.544 -7.621 1.00 0.00 N ATOM 1856 CA ALA A 127 0.959 4.046 -8.442 1.00 0.00 C ATOM 1857 C ALA A 127 1.815 5.198 -8.961 1.00 0.00 C ATOM 1858 O ALA A 127 3.043 5.151 -8.891 1.00 0.00 O ATOM 1859 CB ALA A 127 0.421 3.212 -9.597 1.00 0.00 C ATOM 0 H ALA A 127 -1.066 4.351 -7.997 1.00 0.00 H new ATOM 0 HA ALA A 127 1.590 3.410 -7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 127 1.252 2.847 -10.201 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -0.141 2.365 -9.203 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -0.234 3.826 -10.215 1.00 0.00 H new ATOM 1865 N ARG A 128 1.161 6.240 -9.466 1.00 0.00 N ATOM 1866 CA ARG A 128 1.873 7.415 -9.960 1.00 0.00 C ATOM 1867 C ARG A 128 2.619 8.107 -8.822 1.00 0.00 C ATOM 1868 O ARG A 128 3.758 8.542 -8.988 1.00 0.00 O ATOM 1869 CB ARG A 128 0.907 8.393 -10.633 1.00 0.00 C ATOM 1870 CG ARG A 128 1.573 9.682 -11.091 1.00 0.00 C ATOM 1871 CD ARG A 128 0.612 10.567 -11.864 1.00 0.00 C ATOM 1872 NE ARG A 128 1.206 11.861 -12.199 1.00 0.00 N ATOM 1873 CZ ARG A 128 1.359 12.313 -13.443 1.00 0.00 C ATOM 1874 NH1 ARG A 128 0.965 11.578 -14.475 1.00 0.00 N ATOM 1875 NH2 ARG A 128 1.904 13.502 -13.652 1.00 0.00 N ATOM 0 H ARG A 128 0.145 6.295 -9.544 1.00 0.00 H new ATOM 0 HA ARG A 128 2.599 7.084 -10.702 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.448 7.905 -11.493 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.104 8.635 -9.937 1.00 0.00 H new ATOM 0 HG2 ARG A 128 1.950 10.225 -10.224 1.00 0.00 H new ATOM 0 HG3 ARG A 128 2.433 9.445 -11.717 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.309 10.059 -12.780 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.290 10.725 -11.273 1.00 0.00 H new ATOM 0 HE ARG A 128 1.523 12.454 -11.432 1.00 0.00 H new ATOM 0 HH11 ARG A 128 0.543 10.663 -14.318 1.00 0.00 H new ATOM 0 HH12 ARG A 128 1.084 11.928 -15.426 1.00 0.00 H new ATOM 0 HH21 ARG A 128 2.206 14.071 -12.861 1.00 0.00 H new ATOM 0 HH22 ARG A 128 2.022 13.849 -14.604 1.00 0.00 H new ATOM 1889 N THR A 129 1.972 8.196 -7.668 1.00 0.00 N ATOM 1890 CA THR A 129 2.591 8.790 -6.493 1.00 0.00 C ATOM 1891 C THR A 129 3.802 7.963 -6.061 1.00 0.00 C ATOM 1892 O THR A 129 4.864 8.507 -5.758 1.00 0.00 O ATOM 1893 CB THR A 129 1.582 8.889 -5.333 1.00 0.00 C ATOM 1894 OG1 THR A 129 0.380 9.518 -5.797 1.00 0.00 O ATOM 1895 CG2 THR A 129 2.155 9.692 -4.174 1.00 0.00 C ATOM 0 H THR A 129 1.019 7.864 -7.521 1.00 0.00 H new ATOM 0 HA THR A 129 2.919 9.797 -6.752 1.00 0.00 H new ATOM 0 HB THR A 129 1.366 7.880 -4.981 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.154 8.870 -6.302 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.421 9.745 -3.370 1.00 0.00 H new ATOM 0 HG22 THR A 129 3.060 9.207 -3.808 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.395 10.700 -4.513 1.00 0.00 H new ATOM 1903 N TYR A 130 3.632 6.645 -6.063 1.00 0.00 N ATOM 1904 CA TYR A 130 4.711 5.712 -5.755 1.00 0.00 C ATOM 1905 C TYR A 130 5.895 5.927 -6.696 1.00 0.00 C ATOM 1906 O TYR A 130 7.046 5.910 -6.266 1.00 0.00 O ATOM 1907 CB TYR A 130 4.191 4.273 -5.861 1.00 0.00 C ATOM 1908 CG TYR A 130 5.259 3.206 -5.768 1.00 0.00 C ATOM 1909 CD1 TYR A 130 5.842 2.877 -4.552 1.00 0.00 C ATOM 1910 CD2 TYR A 130 5.674 2.520 -6.903 1.00 0.00 C ATOM 1911 CE1 TYR A 130 6.811 1.894 -4.470 1.00 0.00 C ATOM 1912 CE2 TYR A 130 6.638 1.535 -6.829 1.00 0.00 C ATOM 1913 CZ TYR A 130 7.204 1.226 -5.611 1.00 0.00 C ATOM 1914 OH TYR A 130 8.163 0.244 -5.535 1.00 0.00 O ATOM 0 H TYR A 130 2.743 6.193 -6.278 1.00 0.00 H new ATOM 0 HA TYR A 130 5.056 5.892 -4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 130 3.460 4.106 -5.070 1.00 0.00 H new ATOM 0 HB3 TYR A 130 3.665 4.160 -6.809 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.534 3.397 -3.657 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.235 2.762 -7.860 1.00 0.00 H new ATOM 0 HE1 TYR A 130 7.258 1.650 -3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 130 6.947 1.009 -7.720 1.00 0.00 H new ATOM 0 HH TYR A 130 8.541 0.086 -6.425 1.00 0.00 H new ATOM 1924 N ASN A 131 5.596 6.137 -7.974 1.00 0.00 N ATOM 1925 CA ASN A 131 6.624 6.396 -8.979 1.00 0.00 C ATOM 1926 C ASN A 131 7.439 7.633 -8.600 1.00 0.00 C ATOM 1927 O ASN A 131 8.671 7.614 -8.622 1.00 0.00 O ATOM 1928 CB ASN A 131 5.980 6.600 -10.355 1.00 0.00 C ATOM 1929 CG ASN A 131 6.998 6.654 -11.480 1.00 0.00 C ATOM 1930 OD1 ASN A 131 7.565 7.707 -11.776 1.00 0.00 O ATOM 1931 ND2 ASN A 131 7.209 5.526 -12.142 1.00 0.00 N ATOM 0 H ASN A 131 4.644 6.133 -8.341 1.00 0.00 H new ATOM 0 HA ASN A 131 7.290 5.534 -9.022 1.00 0.00 H new ATOM 0 HB2 ASN A 131 5.277 5.789 -10.546 1.00 0.00 H new ATOM 0 HB3 ASN A 131 5.404 7.525 -10.348 1.00 0.00 H new ATOM 0 HD21 ASN A 131 7.860 5.509 -12.927 1.00 0.00 H new ATOM 0 HD22 ASN A 131 6.720 4.674 -11.867 1.00 0.00 H new ATOM 1938 N ILE A 132 6.737 8.699 -8.228 1.00 0.00 N ATOM 1939 CA ILE A 132 7.377 9.954 -7.846 1.00 0.00 C ATOM 1940 C ILE A 132 8.185 9.788 -6.559 1.00 0.00 C ATOM 1941 O ILE A 132 9.333 10.228 -6.473 1.00 0.00 O ATOM 1942 CB ILE A 132 6.333 11.077 -7.659 1.00 0.00 C ATOM 1943 CG1 ILE A 132 5.552 11.296 -8.959 1.00 0.00 C ATOM 1944 CG2 ILE A 132 7.009 12.369 -7.216 1.00 0.00 C ATOM 1945 CD1 ILE A 132 4.439 12.316 -8.839 1.00 0.00 C ATOM 0 H ILE A 132 5.718 8.719 -8.183 1.00 0.00 H new ATOM 0 HA ILE A 132 8.053 10.232 -8.655 1.00 0.00 H new ATOM 0 HB ILE A 132 5.633 10.774 -6.880 1.00 0.00 H new ATOM 0 HG12 ILE A 132 6.244 11.617 -9.738 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.128 10.345 -9.282 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.257 13.148 -7.090 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.524 12.204 -6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 132 7.730 12.680 -7.972 1.00 0.00 H new ATOM 0 HD11 ILE A 132 3.932 12.416 -9.799 1.00 0.00 H new ATOM 0 HD12 ILE A 132 3.725 11.988 -8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 132 4.858 13.279 -8.548 1.00 0.00 H new ATOM 1957 N LEU A 133 7.591 9.133 -5.569 1.00 0.00 N ATOM 1958 CA LEU A 133 8.251 8.923 -4.284 1.00 0.00 C ATOM 1959 C LEU A 133 9.490 8.046 -4.446 1.00 0.00 C ATOM 1960 O LEU A 133 10.492 8.234 -3.754 1.00 0.00 O ATOM 1961 CB LEU A 133 7.283 8.293 -3.281 1.00 0.00 C ATOM 1962 CG LEU A 133 6.030 9.120 -2.981 1.00 0.00 C ATOM 1963 CD1 LEU A 133 5.140 8.400 -1.984 1.00 0.00 C ATOM 1964 CD2 LEU A 133 6.408 10.496 -2.456 1.00 0.00 C ATOM 0 H LEU A 133 6.653 8.737 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 133 8.566 9.894 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 133 6.974 7.319 -3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.816 8.117 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 133 5.475 9.246 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.255 9.004 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.837 7.437 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.688 8.241 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.503 11.068 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.987 10.389 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.005 11.019 -3.203 1.00 0.00 H new ATOM 1976 N MET A 134 9.420 7.092 -5.369 1.00 0.00 N ATOM 1977 CA MET A 134 10.561 6.237 -5.678 1.00 0.00 C ATOM 1978 C MET A 134 11.671 7.051 -6.336 1.00 0.00 C ATOM 1979 O MET A 134 12.856 6.793 -6.121 1.00 0.00 O ATOM 1980 CB MET A 134 10.137 5.088 -6.597 1.00 0.00 C ATOM 1981 CG MET A 134 11.279 4.160 -6.991 1.00 0.00 C ATOM 1982 SD MET A 134 10.761 2.866 -8.135 1.00 0.00 S ATOM 1983 CE MET A 134 10.137 3.855 -9.493 1.00 0.00 C ATOM 0 H MET A 134 8.583 6.891 -5.917 1.00 0.00 H new ATOM 0 HA MET A 134 10.938 5.817 -4.746 1.00 0.00 H new ATOM 0 HB2 MET A 134 9.363 4.504 -6.099 1.00 0.00 H new ATOM 0 HB3 MET A 134 9.691 5.504 -7.501 1.00 0.00 H new ATOM 0 HG2 MET A 134 12.076 4.746 -7.448 1.00 0.00 H new ATOM 0 HG3 MET A 134 11.695 3.701 -6.094 1.00 0.00 H new ATOM 0 HE1 MET A 134 10.340 3.347 -10.436 1.00 0.00 H new ATOM 0 HE2 MET A 134 9.062 3.993 -9.379 1.00 0.00 H new ATOM 0 HE3 MET A 134 10.630 4.827 -9.491 1.00 0.00 H new ATOM 1993 N ALA A 135 11.277 8.043 -7.128 1.00 0.00 N ATOM 1994 CA ALA A 135 12.232 8.921 -7.788 1.00 0.00 C ATOM 1995 C ALA A 135 12.944 9.806 -6.771 1.00 0.00 C ATOM 1996 O ALA A 135 14.142 10.068 -6.894 1.00 0.00 O ATOM 1997 CB ALA A 135 11.536 9.770 -8.845 1.00 0.00 C ATOM 0 H ALA A 135 10.300 8.258 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 135 12.980 8.302 -8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.266 10.420 -9.328 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.079 9.120 -9.591 1.00 0.00 H new ATOM 0 HB3 ALA A 135 10.764 10.378 -8.373 1.00 0.00 H new ATOM 2003 N GLU A 136 12.204 10.254 -5.760 1.00 0.00 N ATOM 2004 CA GLU A 136 12.782 11.057 -4.686 1.00 0.00 C ATOM 2005 C GLU A 136 13.658 10.192 -3.788 1.00 0.00 C ATOM 2006 O GLU A 136 14.548 10.691 -3.098 1.00 0.00 O ATOM 2007 CB GLU A 136 11.694 11.718 -3.840 1.00 0.00 C ATOM 2008 CG GLU A 136 10.749 12.609 -4.624 1.00 0.00 C ATOM 2009 CD GLU A 136 9.929 13.506 -3.722 1.00 0.00 C ATOM 2010 OE1 GLU A 136 9.177 12.987 -2.872 1.00 0.00 O ATOM 2011 OE2 GLU A 136 10.054 14.745 -3.842 1.00 0.00 O ATOM 0 H GLU A 136 11.205 10.075 -5.662 1.00 0.00 H new ATOM 0 HA GLU A 136 13.388 11.836 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 136 11.114 10.940 -3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 136 12.168 12.310 -3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 136 11.323 13.222 -5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 136 10.081 11.990 -5.222 1.00 0.00 H new ATOM 2018 N GLY A 137 13.391 8.894 -3.798 1.00 0.00 N ATOM 2019 CA GLY A 137 14.153 7.972 -2.986 1.00 0.00 C ATOM 2020 C GLY A 137 13.581 7.832 -1.593 1.00 0.00 C ATOM 2021 O GLY A 137 14.318 7.611 -0.634 1.00 0.00 O ATOM 0 H GLY A 137 12.656 8.463 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 137 14.172 6.995 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 137 15.185 8.316 -2.920 1.00 0.00 H new ATOM 2025 N ARG A 138 12.267 7.967 -1.477 1.00 0.00 N ATOM 2026 CA ARG A 138 11.603 7.839 -0.196 1.00 0.00 C ATOM 2027 C ARG A 138 11.336 6.381 0.133 1.00 0.00 C ATOM 2028 O ARG A 138 11.185 5.548 -0.765 1.00 0.00 O ATOM 2029 CB ARG A 138 10.274 8.583 -0.204 1.00 0.00 C ATOM 2030 CG ARG A 138 10.383 10.089 -0.343 1.00 0.00 C ATOM 2031 CD ARG A 138 9.056 10.740 -0.006 1.00 0.00 C ATOM 2032 NE ARG A 138 9.033 12.168 -0.302 1.00 0.00 N ATOM 2033 CZ ARG A 138 8.716 13.103 0.589 1.00 0.00 C ATOM 2034 NH1 ARG A 138 8.551 12.782 1.870 1.00 0.00 N ATOM 2035 NH2 ARG A 138 8.600 14.367 0.206 1.00 0.00 N ATOM 0 H ARG A 138 11.643 8.165 -2.259 1.00 0.00 H new ATOM 0 HA ARG A 138 12.264 8.268 0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 138 9.666 8.201 -1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 138 9.742 8.356 0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.161 10.468 0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.676 10.348 -1.360 1.00 0.00 H new ATOM 0 HD2 ARG A 138 8.262 10.245 -0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.842 10.590 1.052 1.00 0.00 H new ATOM 0 HE ARG A 138 9.274 12.467 -1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 138 8.668 11.815 2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.308 13.503 2.549 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.754 14.620 -0.770 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.357 15.086 0.887 1.00 0.00 H new ATOM 2049 N ARG A 139 11.275 6.072 1.417 1.00 0.00 N ATOM 2050 CA ARG A 139 10.865 4.751 1.849 1.00 0.00 C ATOM 2051 C ARG A 139 9.344 4.675 1.878 1.00 0.00 C ATOM 2052 O ARG A 139 8.687 5.063 2.856 1.00 0.00 O ATOM 2053 CB ARG A 139 11.477 4.393 3.208 1.00 0.00 C ATOM 2054 CG ARG A 139 12.991 4.250 3.152 1.00 0.00 C ATOM 2055 CD ARG A 139 13.580 3.769 4.471 1.00 0.00 C ATOM 2056 NE ARG A 139 13.108 2.432 4.843 1.00 0.00 N ATOM 2057 CZ ARG A 139 13.756 1.299 4.555 1.00 0.00 C ATOM 2058 NH1 ARG A 139 14.851 1.319 3.803 1.00 0.00 N ATOM 2059 NH2 ARG A 139 13.299 0.139 5.011 1.00 0.00 N ATOM 0 H ARG A 139 11.503 6.716 2.174 1.00 0.00 H new ATOM 0 HA ARG A 139 11.236 4.014 1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 139 11.216 5.163 3.934 1.00 0.00 H new ATOM 0 HB3 ARG A 139 11.041 3.459 3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 139 13.258 3.549 2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 139 13.434 5.210 2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 139 14.667 3.759 4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 139 13.320 4.475 5.260 1.00 0.00 H new ATOM 0 HE ARG A 139 12.228 2.362 5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 139 15.204 2.204 3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 139 15.339 0.449 3.589 1.00 0.00 H new ATOM 0 HH21 ARG A 139 12.454 0.112 5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 139 13.793 -0.726 4.791 1.00 0.00 H new ATOM 2073 N VAL A 140 8.798 4.215 0.766 1.00 0.00 N ATOM 2074 CA VAL A 140 7.363 4.110 0.586 1.00 0.00 C ATOM 2075 C VAL A 140 6.983 2.693 0.186 1.00 0.00 C ATOM 2076 O VAL A 140 7.628 2.087 -0.667 1.00 0.00 O ATOM 2077 CB VAL A 140 6.861 5.109 -0.488 1.00 0.00 C ATOM 2078 CG1 VAL A 140 7.650 4.965 -1.783 1.00 0.00 C ATOM 2079 CG2 VAL A 140 5.372 4.924 -0.750 1.00 0.00 C ATOM 0 H VAL A 140 9.340 3.903 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 140 6.888 4.356 1.536 1.00 0.00 H new ATOM 0 HB VAL A 140 7.020 6.116 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.276 5.678 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.705 5.162 -1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 140 7.535 3.952 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.044 5.637 -1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.188 3.909 -1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 140 4.816 5.094 0.172 1.00 0.00 H new ATOM 2089 N VAL A 141 5.960 2.160 0.826 1.00 0.00 N ATOM 2090 CA VAL A 141 5.429 0.864 0.453 1.00 0.00 C ATOM 2091 C VAL A 141 4.040 1.050 -0.136 1.00 0.00 C ATOM 2092 O VAL A 141 3.226 1.793 0.411 1.00 0.00 O ATOM 2093 CB VAL A 141 5.355 -0.101 1.657 1.00 0.00 C ATOM 2094 CG1 VAL A 141 4.933 -1.489 1.206 1.00 0.00 C ATOM 2095 CG2 VAL A 141 6.690 -0.159 2.387 1.00 0.00 C ATOM 0 H VAL A 141 5.480 2.606 1.608 1.00 0.00 H new ATOM 0 HA VAL A 141 6.102 0.421 -0.281 1.00 0.00 H new ATOM 0 HB VAL A 141 4.604 0.279 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 141 4.887 -2.154 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 141 3.951 -1.436 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 141 5.658 -1.875 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.614 -0.845 3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 141 7.463 -0.509 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 141 6.950 0.835 2.750 1.00 0.00 H new ATOM 2105 N VAL A 142 3.777 0.411 -1.260 1.00 0.00 N ATOM 2106 CA VAL A 142 2.487 0.550 -1.908 1.00 0.00 C ATOM 2107 C VAL A 142 1.751 -0.786 -1.948 1.00 0.00 C ATOM 2108 O VAL A 142 2.318 -1.818 -2.321 1.00 0.00 O ATOM 2109 CB VAL A 142 2.625 1.136 -3.335 1.00 0.00 C ATOM 2110 CG1 VAL A 142 3.428 0.215 -4.241 1.00 0.00 C ATOM 2111 CG2 VAL A 142 1.258 1.430 -3.935 1.00 0.00 C ATOM 0 H VAL A 142 4.433 -0.205 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 142 1.900 1.252 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 142 3.171 2.076 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.505 0.658 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.427 0.078 -3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.929 -0.751 -4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.381 1.841 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.679 0.508 -3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.734 2.152 -3.309 1.00 0.00 H new ATOM 2121 N ALA A 143 0.501 -0.762 -1.518 1.00 0.00 N ATOM 2122 CA ALA A 143 -0.358 -1.930 -1.575 1.00 0.00 C ATOM 2123 C ALA A 143 -1.437 -1.714 -2.623 1.00 0.00 C ATOM 2124 O ALA A 143 -2.337 -0.894 -2.443 1.00 0.00 O ATOM 2125 CB ALA A 143 -0.976 -2.203 -0.213 1.00 0.00 C ATOM 0 H ALA A 143 0.055 0.065 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 143 0.237 -2.800 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -1.617 -3.082 -0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -0.186 -2.380 0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -1.569 -1.342 0.097 1.00 0.00 H new ATOM 2131 N LEU A 144 -1.337 -2.438 -3.722 1.00 0.00 N ATOM 2132 CA LEU A 144 -2.248 -2.250 -4.837 1.00 0.00 C ATOM 2133 C LEU A 144 -3.332 -3.318 -4.843 1.00 0.00 C ATOM 2134 O LEU A 144 -3.044 -4.513 -4.739 1.00 0.00 O ATOM 2135 CB LEU A 144 -1.481 -2.267 -6.162 1.00 0.00 C ATOM 2136 CG LEU A 144 -0.497 -1.112 -6.361 1.00 0.00 C ATOM 2137 CD1 LEU A 144 0.242 -1.264 -7.680 1.00 0.00 C ATOM 2138 CD2 LEU A 144 -1.224 0.223 -6.313 1.00 0.00 C ATOM 0 H LEU A 144 -0.634 -3.162 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 144 -2.728 -1.278 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -0.933 -3.206 -6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -2.201 -2.255 -6.980 1.00 0.00 H new ATOM 0 HG LEU A 144 0.231 -1.138 -5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.937 -0.434 -7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.794 -2.204 -7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.475 -1.263 -8.501 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.508 1.032 -6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.974 0.258 -7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -1.712 0.337 -5.345 1.00 0.00 H new ATOM 2150 N LEU A 145 -4.577 -2.873 -4.951 1.00 0.00 N ATOM 2151 CA LEU A 145 -5.719 -3.772 -4.993 1.00 0.00 C ATOM 2152 C LEU A 145 -6.246 -3.897 -6.418 1.00 0.00 C ATOM 2153 O LEU A 145 -6.682 -2.908 -7.013 1.00 0.00 O ATOM 2154 CB LEU A 145 -6.833 -3.257 -4.074 1.00 0.00 C ATOM 2155 CG LEU A 145 -6.467 -3.162 -2.592 1.00 0.00 C ATOM 2156 CD1 LEU A 145 -7.571 -2.464 -1.816 1.00 0.00 C ATOM 2157 CD2 LEU A 145 -6.213 -4.546 -2.018 1.00 0.00 C ATOM 0 H LEU A 145 -4.821 -1.885 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 145 -5.396 -4.754 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -7.139 -2.270 -4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -7.698 -3.913 -4.176 1.00 0.00 H new ATOM 0 HG LEU A 145 -5.553 -2.575 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.294 -2.405 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.713 -1.458 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -8.499 -3.028 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -5.954 -4.460 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -7.112 -5.154 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -5.391 -5.018 -2.556 1.00 0.00 H new ATOM 2169 N PRO A 146 -6.196 -5.108 -6.985 1.00 0.00 N ATOM 2170 CA PRO A 146 -6.717 -5.383 -8.319 1.00 0.00 C ATOM 2171 C PRO A 146 -8.209 -5.715 -8.290 1.00 0.00 C ATOM 2172 O PRO A 146 -8.914 -5.372 -7.336 1.00 0.00 O ATOM 2173 CB PRO A 146 -5.901 -6.600 -8.743 1.00 0.00 C ATOM 2174 CG PRO A 146 -5.664 -7.346 -7.476 1.00 0.00 C ATOM 2175 CD PRO A 146 -5.620 -6.317 -6.370 1.00 0.00 C ATOM 0 HA PRO A 146 -6.631 -4.532 -8.994 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -6.442 -7.209 -9.467 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -4.962 -6.305 -9.212 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -6.458 -8.071 -7.299 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -4.729 -7.903 -7.524 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.198 -6.638 -5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -4.600 -6.143 -6.027 1.00 0.00 H new