USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 781 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 14 GLN : amide:sc= -2.61! C(o=-2.6!,f=-3.1!) USER MOD Single : A 16 TYR OH : rot 161:sc= -0.125 USER MOD Single : A 17 THR OG1 : rot 92:sc= 0.832 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 24 GLN : amide:sc= -0.879 K(o=-0.88,f=-1.9) USER MOD Single : A 35 TYR OH : rot 159:sc= -0.351 USER MOD Single : A 37 THR OG1 : rot -66:sc= 0.948 USER MOD Single : B 10 THR OG1 : rot 180:sc= -0.332 USER MOD Single : B 14 GLN : amide:sc= -0.123 X(o=-0.12,f=0.2) USER MOD Single : B 16 TYR OH : rot 148:sc= 0.282 USER MOD Single : B 17 THR OG1 : rot 97:sc= 1.23 USER MOD Single : B 23 GLN : amide:sc= -0.0699 X(o=-0.07,f=-0.058) USER MOD Single : B 24 GLN : amide:sc= 0.191 K(o=0.19,f=-0.9) USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 THR OG1 : rot 170:sc= -0.363 USER MOD Single : C 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 596 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.112) USER MOD Single : C 602 ASN : amide:sc= 0.00995 X(o=0.01,f=-0.42) USER MOD Single : C 605 LYS NZ :NH3+ 133:sc= -0.684 (180deg=-2.33!) USER MOD Single : C 607 GLN : amide:sc= -0.69 K(o=-0.69,f=0) USER MOD Single : C 609 MET CE :methyl 163:sc= 0 (180deg=-0.12) USER MOD Single : C 610 THR OG1 : rot 71:sc= 1.25 USER MOD Single : C 613 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N GLN A 4 -17.981 7.227 -8.788 1.00 0.00 N ATOM 121 CA GLN A 4 -17.575 8.631 -8.775 1.00 0.00 C ATOM 122 C GLN A 4 -16.472 8.888 -7.744 1.00 0.00 C ATOM 123 O GLN A 4 -16.716 8.788 -6.544 1.00 0.00 O ATOM 124 CB GLN A 4 -18.781 9.529 -8.488 1.00 0.00 C ATOM 125 CG GLN A 4 -19.599 9.082 -7.291 1.00 0.00 C ATOM 126 CD GLN A 4 -20.750 10.020 -6.985 1.00 0.00 C ATOM 127 OE1 GLN A 4 -20.823 10.598 -5.900 1.00 0.00 O ATOM 128 NE2 GLN A 4 -21.659 10.175 -7.941 1.00 0.00 N ATOM 0 HA GLN A 4 -17.175 8.870 -9.761 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -18.433 10.548 -8.320 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.423 9.553 -9.368 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -19.990 8.082 -7.477 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.950 9.013 -6.418 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -21.559 9.676 -8.825 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -22.457 10.793 -7.791 1.00 0.00 H new ATOM 137 N ILE A 5 -15.266 9.225 -8.201 1.00 0.00 N ATOM 138 CA ILE A 5 -14.164 9.498 -7.271 1.00 0.00 C ATOM 139 C ILE A 5 -14.654 10.406 -6.131 1.00 0.00 C ATOM 140 O ILE A 5 -14.886 11.597 -6.336 1.00 0.00 O ATOM 141 CB ILE A 5 -12.935 10.147 -7.990 1.00 0.00 C ATOM 142 CG1 ILE A 5 -11.987 9.067 -8.559 1.00 0.00 C ATOM 143 CG2 ILE A 5 -12.155 11.059 -7.042 1.00 0.00 C ATOM 144 CD1 ILE A 5 -12.262 8.692 -9.996 1.00 0.00 C ATOM 0 H ILE A 5 -15.027 9.315 -9.189 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.833 8.544 -6.861 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.326 10.745 -8.813 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -10.960 9.423 -8.479 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.063 8.172 -7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.308 11.495 -7.571 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.808 11.855 -6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.793 10.478 -6.194 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.552 7.929 -10.315 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.276 8.303 -10.083 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.156 9.573 -10.629 1.00 0.00 H new ATOM 156 N PRO A 6 -14.842 9.851 -4.911 1.00 0.00 N ATOM 157 CA PRO A 6 -15.326 10.626 -3.761 1.00 0.00 C ATOM 158 C PRO A 6 -14.522 11.910 -3.532 1.00 0.00 C ATOM 159 O PRO A 6 -13.319 11.849 -3.287 1.00 0.00 O ATOM 160 CB PRO A 6 -15.134 9.663 -2.582 1.00 0.00 C ATOM 161 CG PRO A 6 -15.231 8.309 -3.190 1.00 0.00 C ATOM 162 CD PRO A 6 -14.617 8.431 -4.558 1.00 0.00 C ATOM 0 HA PRO A 6 -16.354 10.959 -3.903 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -14.168 9.813 -2.099 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.898 9.812 -1.819 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.701 7.571 -2.588 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.269 7.982 -3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.556 8.184 -4.545 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.092 7.759 -5.273 1.00 0.00 H new ATOM 170 N PRO A 7 -15.165 13.096 -3.592 1.00 0.00 N ATOM 171 CA PRO A 7 -14.470 14.368 -3.368 1.00 0.00 C ATOM 172 C PRO A 7 -13.565 14.311 -2.140 1.00 0.00 C ATOM 173 O PRO A 7 -13.870 13.619 -1.169 1.00 0.00 O ATOM 174 CB PRO A 7 -15.617 15.359 -3.156 1.00 0.00 C ATOM 175 CG PRO A 7 -16.745 14.795 -3.949 1.00 0.00 C ATOM 176 CD PRO A 7 -16.604 13.296 -3.866 1.00 0.00 C ATOM 0 HA PRO A 7 -13.811 14.637 -4.194 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.877 15.446 -2.101 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -15.349 16.357 -3.501 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.705 15.119 -3.547 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.702 15.134 -4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -17.225 12.878 -3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -16.906 12.813 -4.795 1.00 0.00 H new ATOM 184 N GLY A 8 -12.452 15.038 -2.183 1.00 0.00 N ATOM 185 CA GLY A 8 -11.528 15.045 -1.061 1.00 0.00 C ATOM 186 C GLY A 8 -10.487 13.943 -1.149 1.00 0.00 C ATOM 187 O GLY A 8 -9.426 14.036 -0.533 1.00 0.00 O ATOM 0 H GLY A 8 -12.173 15.621 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.025 16.011 -1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.089 14.935 -0.133 1.00 0.00 H new ATOM 191 N LEU A 9 -10.788 12.898 -1.914 1.00 0.00 N ATOM 192 CA LEU A 9 -9.869 11.778 -2.074 1.00 0.00 C ATOM 193 C LEU A 9 -8.546 12.241 -2.676 1.00 0.00 C ATOM 194 O LEU A 9 -7.480 11.750 -2.309 1.00 0.00 O ATOM 195 CB LEU A 9 -10.500 10.697 -2.954 1.00 0.00 C ATOM 196 CG LEU A 9 -9.789 9.329 -2.924 1.00 0.00 C ATOM 197 CD1 LEU A 9 -10.744 8.229 -2.489 1.00 0.00 C ATOM 198 CD2 LEU A 9 -9.192 9.001 -4.285 1.00 0.00 C ATOM 0 H LEU A 9 -11.661 12.804 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.668 11.359 -1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.536 10.557 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.521 11.055 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.980 9.389 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.218 7.274 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.121 8.449 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.578 8.174 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.695 8.032 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.985 8.968 -5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.467 9.768 -4.559 1.00 0.00 H new ATOM 210 N THR A 10 -8.626 13.184 -3.608 1.00 0.00 N ATOM 211 CA THR A 10 -7.436 13.710 -4.267 1.00 0.00 C ATOM 212 C THR A 10 -6.545 14.452 -3.276 1.00 0.00 C ATOM 213 O THR A 10 -5.332 14.243 -3.237 1.00 0.00 O ATOM 214 CB THR A 10 -7.843 14.640 -5.416 1.00 0.00 C ATOM 215 OG1 THR A 10 -8.967 14.121 -6.105 1.00 0.00 O ATOM 216 CG2 THR A 10 -6.745 14.860 -6.435 1.00 0.00 C ATOM 0 H THR A 10 -9.502 13.600 -3.924 1.00 0.00 H new ATOM 0 HA THR A 10 -6.867 12.872 -4.670 1.00 0.00 H new ATOM 0 HB THR A 10 -8.071 15.595 -4.943 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.213 14.728 -6.833 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.104 15.528 -7.218 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.879 15.307 -5.946 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.460 13.904 -6.875 1.00 0.00 H new ATOM 224 N GLU A 11 -7.153 15.321 -2.477 1.00 0.00 N ATOM 225 CA GLU A 11 -6.413 16.095 -1.488 1.00 0.00 C ATOM 226 C GLU A 11 -5.781 15.186 -0.436 1.00 0.00 C ATOM 227 O GLU A 11 -4.736 15.513 0.128 1.00 0.00 O ATOM 228 CB GLU A 11 -7.337 17.110 -0.811 1.00 0.00 C ATOM 229 CG GLU A 11 -7.885 18.162 -1.760 1.00 0.00 C ATOM 230 CD GLU A 11 -8.815 19.140 -1.071 1.00 0.00 C ATOM 231 OE1 GLU A 11 -8.543 19.497 0.095 1.00 0.00 O ATOM 232 OE2 GLU A 11 -9.815 19.551 -1.696 1.00 0.00 O ATOM 0 H GLU A 11 -8.156 15.507 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.614 16.625 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.170 16.579 -0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.792 17.606 -0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.056 18.709 -2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.419 17.670 -2.573 1.00 0.00 H new ATOM 239 N LEU A 12 -6.415 14.046 -0.172 1.00 0.00 N ATOM 240 CA LEU A 12 -5.902 13.102 0.820 1.00 0.00 C ATOM 241 C LEU A 12 -4.661 12.380 0.302 1.00 0.00 C ATOM 242 O LEU A 12 -3.708 12.154 1.048 1.00 0.00 O ATOM 243 CB LEU A 12 -6.982 12.082 1.219 1.00 0.00 C ATOM 244 CG LEU A 12 -7.649 12.323 2.580 1.00 0.00 C ATOM 245 CD1 LEU A 12 -6.667 12.077 3.720 1.00 0.00 C ATOM 246 CD2 LEU A 12 -8.223 13.733 2.660 1.00 0.00 C ATOM 0 H LEU A 12 -7.280 13.754 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.622 13.674 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.755 12.079 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.534 11.088 1.225 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.470 11.614 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.164 12.255 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.315 11.046 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.818 12.754 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.691 13.881 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.422 14.460 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.968 13.868 1.876 1.00 0.00 H new ATOM 258 N LEU A 13 -4.680 12.014 -0.979 1.00 0.00 N ATOM 259 CA LEU A 13 -3.555 11.314 -1.584 1.00 0.00 C ATOM 260 C LEU A 13 -2.405 12.277 -1.861 1.00 0.00 C ATOM 261 O LEU A 13 -1.240 11.886 -1.857 1.00 0.00 O ATOM 262 CB LEU A 13 -3.986 10.630 -2.888 1.00 0.00 C ATOM 263 CG LEU A 13 -5.115 9.600 -2.763 1.00 0.00 C ATOM 264 CD1 LEU A 13 -5.738 9.328 -4.130 1.00 0.00 C ATOM 265 CD2 LEU A 13 -4.601 8.306 -2.146 1.00 0.00 C ATOM 0 H LEU A 13 -5.459 12.191 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.214 10.554 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.299 11.400 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.116 10.136 -3.321 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.881 10.010 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.538 8.595 -4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.145 10.254 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.976 8.940 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.419 7.590 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.814 7.890 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.201 8.510 -1.153 1.00 0.00 H new ATOM 277 N GLN A 14 -2.746 13.541 -2.110 1.00 0.00 N ATOM 278 CA GLN A 14 -1.751 14.566 -2.401 1.00 0.00 C ATOM 279 C GLN A 14 -0.850 14.822 -1.200 1.00 0.00 C ATOM 280 O GLN A 14 0.374 14.869 -1.334 1.00 0.00 O ATOM 281 CB GLN A 14 -2.445 15.866 -2.818 1.00 0.00 C ATOM 282 CG GLN A 14 -1.519 16.870 -3.503 1.00 0.00 C ATOM 283 CD GLN A 14 -1.220 18.082 -2.636 1.00 0.00 C ATOM 284 OE1 GLN A 14 -0.534 17.978 -1.619 1.00 0.00 O ATOM 285 NE2 GLN A 14 -1.738 19.240 -3.033 1.00 0.00 N ATOM 0 H GLN A 14 -3.709 13.878 -2.115 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.128 14.207 -3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.268 15.627 -3.492 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.881 16.333 -1.935 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.583 16.375 -3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.975 17.200 -4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.301 19.282 -3.882 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.572 20.086 -2.488 1.00 0.00 H new ATOM 294 N GLY A 15 -1.451 14.979 -0.027 1.00 0.00 N ATOM 295 CA GLY A 15 -0.669 15.217 1.171 1.00 0.00 C ATOM 296 C GLY A 15 0.396 14.159 1.365 1.00 0.00 C ATOM 297 O GLY A 15 1.538 14.466 1.706 1.00 0.00 O ATOM 0 H GLY A 15 -2.460 14.946 0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.199 16.199 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.328 15.233 2.039 1.00 0.00 H new ATOM 301 N TYR A 16 0.019 12.906 1.133 1.00 0.00 N ATOM 302 CA TYR A 16 0.957 11.798 1.270 1.00 0.00 C ATOM 303 C TYR A 16 1.954 11.782 0.113 1.00 0.00 C ATOM 304 O TYR A 16 3.161 11.654 0.319 1.00 0.00 O ATOM 305 CB TYR A 16 0.215 10.463 1.329 1.00 0.00 C ATOM 306 CG TYR A 16 1.139 9.277 1.512 1.00 0.00 C ATOM 307 CD1 TYR A 16 1.973 9.194 2.618 1.00 0.00 C ATOM 308 CD2 TYR A 16 1.185 8.245 0.580 1.00 0.00 C ATOM 309 CE1 TYR A 16 2.823 8.122 2.796 1.00 0.00 C ATOM 310 CE2 TYR A 16 2.035 7.167 0.751 1.00 0.00 C ATOM 311 CZ TYR A 16 2.851 7.111 1.861 1.00 0.00 C ATOM 312 OH TYR A 16 3.701 6.041 2.038 1.00 0.00 O ATOM 0 H TYR A 16 -0.923 12.634 0.851 1.00 0.00 H new ATOM 0 HA TYR A 16 1.503 11.940 2.203 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.501 10.488 2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.358 10.332 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.956 9.984 3.354 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.547 8.286 -0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.463 8.076 3.664 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.059 6.373 0.019 1.00 0.00 H new ATOM 0 HH TYR A 16 3.401 5.290 1.484 1.00 0.00 H new ATOM 322 N THR A 17 1.434 11.901 -1.107 1.00 0.00 N ATOM 323 CA THR A 17 2.264 11.889 -2.311 1.00 0.00 C ATOM 324 C THR A 17 3.415 12.887 -2.215 1.00 0.00 C ATOM 325 O THR A 17 4.585 12.516 -2.309 1.00 0.00 O ATOM 326 CB THR A 17 1.408 12.200 -3.544 1.00 0.00 C ATOM 327 OG1 THR A 17 0.303 11.318 -3.618 1.00 0.00 O ATOM 328 CG2 THR A 17 2.160 12.091 -4.860 1.00 0.00 C ATOM 0 H THR A 17 0.436 12.007 -1.289 1.00 0.00 H new ATOM 0 HA THR A 17 2.693 10.891 -2.405 1.00 0.00 H new ATOM 0 HB THR A 17 1.093 13.235 -3.413 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.465 11.716 -3.158 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.487 12.326 -5.684 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.994 12.793 -4.862 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.540 11.076 -4.979 1.00 0.00 H new ATOM 336 N VAL A 18 3.068 14.158 -2.049 1.00 0.00 N ATOM 337 CA VAL A 18 4.064 15.218 -1.963 1.00 0.00 C ATOM 338 C VAL A 18 5.064 14.970 -0.831 1.00 0.00 C ATOM 339 O VAL A 18 6.227 15.352 -0.936 1.00 0.00 O ATOM 340 CB VAL A 18 3.397 16.600 -1.774 1.00 0.00 C ATOM 341 CG1 VAL A 18 2.958 16.811 -0.326 1.00 0.00 C ATOM 342 CG2 VAL A 18 4.339 17.709 -2.230 1.00 0.00 C ATOM 0 H VAL A 18 2.103 14.479 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 18 4.607 15.213 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 18 2.501 16.633 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.493 17.792 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.241 16.039 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.827 16.753 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.856 18.676 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.255 17.673 -1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.580 17.571 -3.284 1.00 0.00 H new ATOM 352 N GLU A 19 4.616 14.330 0.249 1.00 0.00 N ATOM 353 CA GLU A 19 5.501 14.048 1.379 1.00 0.00 C ATOM 354 C GLU A 19 6.474 12.922 1.042 1.00 0.00 C ATOM 355 O GLU A 19 7.669 13.018 1.318 1.00 0.00 O ATOM 356 CB GLU A 19 4.694 13.692 2.634 1.00 0.00 C ATOM 357 CG GLU A 19 5.424 14.018 3.935 1.00 0.00 C ATOM 358 CD GLU A 19 5.034 13.106 5.082 1.00 0.00 C ATOM 359 OE1 GLU A 19 4.972 11.877 4.868 1.00 0.00 O ATOM 360 OE2 GLU A 19 4.788 13.621 6.193 1.00 0.00 O ATOM 0 H GLU A 19 3.658 14.001 0.365 1.00 0.00 H new ATOM 0 HA GLU A 19 6.075 14.952 1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.746 14.230 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.457 12.628 2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.499 13.944 3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.215 15.051 4.213 1.00 0.00 H new ATOM 367 N VAL A 20 5.953 11.860 0.437 1.00 0.00 N ATOM 368 CA VAL A 20 6.774 10.717 0.054 1.00 0.00 C ATOM 369 C VAL A 20 7.958 11.162 -0.799 1.00 0.00 C ATOM 370 O VAL A 20 9.071 10.664 -0.647 1.00 0.00 O ATOM 371 CB VAL A 20 5.951 9.675 -0.739 1.00 0.00 C ATOM 372 CG1 VAL A 20 6.791 8.440 -1.036 1.00 0.00 C ATOM 373 CG2 VAL A 20 4.666 9.295 0.009 1.00 0.00 C ATOM 0 H VAL A 20 4.965 11.767 0.201 1.00 0.00 H new ATOM 0 HA VAL A 20 7.137 10.260 0.975 1.00 0.00 H new ATOM 0 HB VAL A 20 5.661 10.128 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.194 7.719 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.661 8.725 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.120 7.990 -0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.109 8.561 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.922 8.869 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.053 10.184 0.154 1.00 0.00 H new ATOM 383 N LEU A 21 7.700 12.097 -1.704 1.00 0.00 N ATOM 384 CA LEU A 21 8.730 12.610 -2.600 1.00 0.00 C ATOM 385 C LEU A 21 9.683 13.567 -1.882 1.00 0.00 C ATOM 386 O LEU A 21 10.872 13.611 -2.192 1.00 0.00 O ATOM 387 CB LEU A 21 8.071 13.315 -3.788 1.00 0.00 C ATOM 388 CG LEU A 21 7.056 12.459 -4.564 1.00 0.00 C ATOM 389 CD1 LEU A 21 6.037 13.337 -5.282 1.00 0.00 C ATOM 390 CD2 LEU A 21 7.768 11.544 -5.553 1.00 0.00 C ATOM 0 H LEU A 21 6.781 12.518 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 21 9.321 11.765 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.568 14.212 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.850 13.642 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 21 6.520 11.838 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.331 12.707 -5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.499 13.941 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.552 13.991 -5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.032 10.947 -6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.336 12.146 -6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.446 10.883 -5.014 1.00 0.00 H new ATOM 402 N ARG A 22 9.161 14.342 -0.935 1.00 0.00 N ATOM 403 CA ARG A 22 9.980 15.301 -0.198 1.00 0.00 C ATOM 404 C ARG A 22 10.981 14.609 0.726 1.00 0.00 C ATOM 405 O ARG A 22 12.085 15.109 0.938 1.00 0.00 O ATOM 406 CB ARG A 22 9.085 16.235 0.623 1.00 0.00 C ATOM 407 CG ARG A 22 8.493 17.373 -0.187 1.00 0.00 C ATOM 408 CD ARG A 22 7.607 18.259 0.669 1.00 0.00 C ATOM 409 NE ARG A 22 6.430 17.545 1.160 1.00 0.00 N ATOM 410 CZ ARG A 22 5.721 17.916 2.227 1.00 0.00 C ATOM 411 NH1 ARG A 22 6.024 19.030 2.884 1.00 0.00 N ATOM 412 NH2 ARG A 22 4.696 17.177 2.629 1.00 0.00 N ATOM 0 H ARG A 22 8.179 14.325 -0.660 1.00 0.00 H new ATOM 0 HA ARG A 22 10.544 15.877 -0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.275 15.654 1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.665 16.650 1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.296 17.969 -0.621 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.913 16.968 -1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.181 18.637 1.515 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.290 19.125 0.087 1.00 0.00 H new ATOM 0 HE ARG A 22 6.132 16.710 0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.804 19.609 2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.477 19.306 3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.451 16.326 2.122 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.153 17.459 3.445 1.00 0.00 H new ATOM 426 N GLN A 23 10.586 13.470 1.292 1.00 0.00 N ATOM 427 CA GLN A 23 11.449 12.728 2.216 1.00 0.00 C ATOM 428 C GLN A 23 12.058 11.497 1.555 1.00 0.00 C ATOM 429 O GLN A 23 13.152 11.067 1.918 1.00 0.00 O ATOM 430 CB GLN A 23 10.655 12.312 3.456 1.00 0.00 C ATOM 431 CG GLN A 23 10.130 13.490 4.266 1.00 0.00 C ATOM 432 CD GLN A 23 9.732 13.102 5.678 1.00 0.00 C ATOM 433 OE1 GLN A 23 8.586 12.730 5.932 1.00 0.00 O ATOM 434 NE2 GLN A 23 10.678 13.190 6.605 1.00 0.00 N ATOM 0 H GLN A 23 9.676 13.039 1.129 1.00 0.00 H new ATOM 0 HA GLN A 23 12.265 13.389 2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.815 11.690 3.148 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.289 11.697 4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.895 14.265 4.309 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.268 13.921 3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.615 13.503 6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.468 12.944 7.573 1.00 0.00 H new ATOM 443 N GLN A 24 11.344 10.928 0.591 1.00 0.00 N ATOM 444 CA GLN A 24 11.819 9.740 -0.108 1.00 0.00 C ATOM 445 C GLN A 24 12.100 8.605 0.880 1.00 0.00 C ATOM 446 O GLN A 24 13.242 8.401 1.292 1.00 0.00 O ATOM 447 CB GLN A 24 13.086 10.060 -0.906 1.00 0.00 C ATOM 448 CG GLN A 24 12.916 11.215 -1.878 1.00 0.00 C ATOM 449 CD GLN A 24 12.062 10.850 -3.076 1.00 0.00 C ATOM 450 OE1 GLN A 24 11.713 9.686 -3.272 1.00 0.00 O ATOM 451 NE2 GLN A 24 11.720 11.846 -3.886 1.00 0.00 N ATOM 0 H GLN A 24 10.436 11.269 0.276 1.00 0.00 H new ATOM 0 HA GLN A 24 11.038 9.418 -0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 24 13.893 10.296 -0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.391 9.172 -1.460 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.463 12.059 -1.358 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.897 11.542 -2.222 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.031 12.796 -3.685 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.146 11.660 -4.708 1.00 0.00 H new ATOM 460 N PRO A 25 11.056 7.857 1.283 1.00 0.00 N ATOM 461 CA PRO A 25 11.190 6.752 2.234 1.00 0.00 C ATOM 462 C PRO A 25 11.591 5.441 1.557 1.00 0.00 C ATOM 463 O PRO A 25 11.453 5.295 0.343 1.00 0.00 O ATOM 464 CB PRO A 25 9.776 6.649 2.802 1.00 0.00 C ATOM 465 CG PRO A 25 8.907 6.988 1.642 1.00 0.00 C ATOM 466 CD PRO A 25 9.655 8.035 0.854 1.00 0.00 C ATOM 0 HA PRO A 25 11.968 6.927 2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.568 5.648 3.180 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.626 7.340 3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.710 6.107 1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.941 7.367 1.976 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.542 7.885 -0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.292 9.039 1.076 1.00 0.00 H new ATOM 474 N PRO A 26 12.088 4.460 2.336 1.00 0.00 N ATOM 475 CA PRO A 26 12.496 3.161 1.799 1.00 0.00 C ATOM 476 C PRO A 26 11.299 2.257 1.513 1.00 0.00 C ATOM 477 O PRO A 26 11.362 1.388 0.643 1.00 0.00 O ATOM 478 CB PRO A 26 13.358 2.584 2.924 1.00 0.00 C ATOM 479 CG PRO A 26 12.764 3.152 4.165 1.00 0.00 C ATOM 480 CD PRO A 26 12.287 4.537 3.800 1.00 0.00 C ATOM 0 HA PRO A 26 13.017 3.246 0.845 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.328 1.494 2.930 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.403 2.873 2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.938 2.536 4.520 1.00 0.00 H new ATOM 0 HG3 PRO A 26 13.500 3.192 4.968 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.362 4.792 4.318 1.00 0.00 H new ATOM 0 HD3 PRO A 26 13.021 5.297 4.066 1.00 0.00 H new ATOM 488 N ASP A 27 10.208 2.468 2.252 1.00 0.00 N ATOM 489 CA ASP A 27 8.991 1.678 2.085 1.00 0.00 C ATOM 490 C ASP A 27 7.767 2.580 2.008 1.00 0.00 C ATOM 491 O ASP A 27 7.640 3.541 2.767 1.00 0.00 O ATOM 492 CB ASP A 27 8.842 0.687 3.241 1.00 0.00 C ATOM 493 CG ASP A 27 9.933 -0.366 3.244 1.00 0.00 C ATOM 494 OD1 ASP A 27 9.908 -1.249 2.360 1.00 0.00 O ATOM 495 OD2 ASP A 27 10.812 -0.307 4.128 1.00 0.00 O ATOM 0 H ASP A 27 10.145 3.184 2.975 1.00 0.00 H new ATOM 0 HA ASP A 27 9.069 1.124 1.150 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.862 1.230 4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.870 0.199 3.174 1.00 0.00 H new ATOM 500 N LEU A 28 6.869 2.261 1.085 1.00 0.00 N ATOM 501 CA LEU A 28 5.649 3.037 0.897 1.00 0.00 C ATOM 502 C LEU A 28 4.574 2.600 1.890 1.00 0.00 C ATOM 503 O LEU A 28 3.807 3.422 2.391 1.00 0.00 O ATOM 504 CB LEU A 28 5.129 2.875 -0.537 1.00 0.00 C ATOM 505 CG LEU A 28 5.932 3.603 -1.623 1.00 0.00 C ATOM 506 CD1 LEU A 28 5.699 5.106 -1.555 1.00 0.00 C ATOM 507 CD2 LEU A 28 7.417 3.286 -1.504 1.00 0.00 C ATOM 0 H LEU A 28 6.963 1.467 0.452 1.00 0.00 H new ATOM 0 HA LEU A 28 5.883 4.087 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.108 1.812 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.099 3.231 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 28 5.583 3.247 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.279 5.600 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.640 5.317 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.011 5.479 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.965 3.814 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.780 3.605 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.570 2.213 -1.615 1.00 0.00 H new ATOM 519 N VAL A 29 4.522 1.300 2.161 1.00 0.00 N ATOM 520 CA VAL A 29 3.537 0.749 3.084 1.00 0.00 C ATOM 521 C VAL A 29 3.762 1.251 4.510 1.00 0.00 C ATOM 522 O VAL A 29 2.811 1.588 5.214 1.00 0.00 O ATOM 523 CB VAL A 29 3.558 -0.797 3.068 1.00 0.00 C ATOM 524 CG1 VAL A 29 4.852 -1.334 3.668 1.00 0.00 C ATOM 525 CG2 VAL A 29 2.338 -1.365 3.792 1.00 0.00 C ATOM 0 H VAL A 29 5.151 0.608 1.754 1.00 0.00 H new ATOM 0 HA VAL A 29 2.559 1.092 2.746 1.00 0.00 H new ATOM 0 HB VAL A 29 3.514 -1.123 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.840 -2.424 3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.700 -0.968 3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.943 -0.995 4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.375 -2.454 3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.339 -1.025 4.828 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.429 -1.022 3.298 1.00 0.00 H new ATOM 535 N GLU A 30 5.023 1.298 4.931 1.00 0.00 N ATOM 536 CA GLU A 30 5.362 1.760 6.274 1.00 0.00 C ATOM 537 C GLU A 30 5.199 3.272 6.383 1.00 0.00 C ATOM 538 O GLU A 30 4.557 3.776 7.302 1.00 0.00 O ATOM 539 CB GLU A 30 6.798 1.365 6.626 1.00 0.00 C ATOM 540 CG GLU A 30 7.221 1.786 8.024 1.00 0.00 C ATOM 541 CD GLU A 30 6.274 1.287 9.098 1.00 0.00 C ATOM 542 OE1 GLU A 30 5.184 1.879 9.250 1.00 0.00 O ATOM 543 OE2 GLU A 30 6.622 0.307 9.787 1.00 0.00 O ATOM 0 H GLU A 30 5.825 1.023 4.364 1.00 0.00 H new ATOM 0 HA GLU A 30 4.679 1.285 6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.901 0.284 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.477 1.812 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.223 1.408 8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.276 2.874 8.070 1.00 0.00 H new ATOM 550 N PHE A 31 5.786 3.991 5.437 1.00 0.00 N ATOM 551 CA PHE A 31 5.704 5.445 5.424 1.00 0.00 C ATOM 552 C PHE A 31 4.255 5.920 5.346 1.00 0.00 C ATOM 553 O PHE A 31 3.936 7.033 5.762 1.00 0.00 O ATOM 554 CB PHE A 31 6.506 6.000 4.248 1.00 0.00 C ATOM 555 CG PHE A 31 6.719 7.484 4.321 1.00 0.00 C ATOM 556 CD1 PHE A 31 7.569 8.025 5.271 1.00 0.00 C ATOM 557 CD2 PHE A 31 6.071 8.338 3.443 1.00 0.00 C ATOM 558 CE1 PHE A 31 7.769 9.390 5.345 1.00 0.00 C ATOM 559 CE2 PHE A 31 6.267 9.704 3.512 1.00 0.00 C ATOM 560 CZ PHE A 31 7.118 10.231 4.465 1.00 0.00 C ATOM 0 H PHE A 31 6.324 3.591 4.668 1.00 0.00 H new ATOM 0 HA PHE A 31 6.127 5.817 6.357 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.475 5.502 4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.989 5.760 3.319 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.082 7.372 5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.405 7.931 2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.434 9.799 6.091 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.756 10.359 2.822 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.273 11.298 4.521 1.00 0.00 H new ATOM 570 N ALA A 32 3.383 5.076 4.801 1.00 0.00 N ATOM 571 CA ALA A 32 1.971 5.418 4.655 1.00 0.00 C ATOM 572 C ALA A 32 1.218 5.351 5.979 1.00 0.00 C ATOM 573 O ALA A 32 0.453 6.257 6.305 1.00 0.00 O ATOM 574 CB ALA A 32 1.324 4.518 3.621 1.00 0.00 C ATOM 0 H ALA A 32 3.630 4.150 4.453 1.00 0.00 H new ATOM 0 HA ALA A 32 1.916 6.452 4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.271 4.780 3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.825 4.647 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.410 3.479 3.938 1.00 0.00 H new ATOM 580 N VAL A 33 1.447 4.300 6.757 1.00 0.00 N ATOM 581 CA VAL A 33 0.788 4.172 8.052 1.00 0.00 C ATOM 582 C VAL A 33 1.369 5.207 9.012 1.00 0.00 C ATOM 583 O VAL A 33 0.675 5.672 9.914 1.00 0.00 O ATOM 584 CB VAL A 33 0.933 2.742 8.631 1.00 0.00 C ATOM 585 CG1 VAL A 33 2.359 2.450 9.084 1.00 0.00 C ATOM 586 CG2 VAL A 33 -0.050 2.520 9.767 1.00 0.00 C ATOM 0 H VAL A 33 2.076 3.533 6.519 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.279 4.353 7.920 1.00 0.00 H new ATOM 0 HB VAL A 33 0.700 2.042 7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.414 1.437 9.483 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.037 2.543 8.235 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.648 3.161 9.858 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.069 1.510 10.159 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.142 3.242 10.561 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.068 2.649 9.398 1.00 0.00 H new ATOM 596 N GLU A 34 2.624 5.584 8.813 1.00 0.00 N ATOM 597 CA GLU A 34 3.251 6.584 9.671 1.00 0.00 C ATOM 598 C GLU A 34 2.662 7.969 9.396 1.00 0.00 C ATOM 599 O GLU A 34 2.538 8.795 10.300 1.00 0.00 O ATOM 600 CB GLU A 34 4.767 6.602 9.452 1.00 0.00 C ATOM 601 CG GLU A 34 5.482 5.409 10.064 1.00 0.00 C ATOM 602 CD GLU A 34 6.986 5.596 10.127 1.00 0.00 C ATOM 603 OE1 GLU A 34 7.575 6.024 9.113 1.00 0.00 O ATOM 604 OE2 GLU A 34 7.576 5.315 11.193 1.00 0.00 O ATOM 0 H GLU A 34 3.224 5.218 8.074 1.00 0.00 H new ATOM 0 HA GLU A 34 3.051 6.320 10.709 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.971 6.628 8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.177 7.518 9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.099 5.238 11.070 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.255 4.517 9.481 1.00 0.00 H new ATOM 611 N TYR A 35 2.301 8.209 8.138 1.00 0.00 N ATOM 612 CA TYR A 35 1.718 9.487 7.724 1.00 0.00 C ATOM 613 C TYR A 35 0.238 9.582 8.095 1.00 0.00 C ATOM 614 O TYR A 35 -0.247 10.649 8.472 1.00 0.00 O ATOM 615 CB TYR A 35 1.888 9.670 6.209 1.00 0.00 C ATOM 616 CG TYR A 35 1.045 10.784 5.609 1.00 0.00 C ATOM 617 CD1 TYR A 35 -0.318 10.613 5.394 1.00 0.00 C ATOM 618 CD2 TYR A 35 1.616 11.999 5.246 1.00 0.00 C ATOM 619 CE1 TYR A 35 -1.086 11.620 4.841 1.00 0.00 C ATOM 620 CE2 TYR A 35 0.854 13.011 4.690 1.00 0.00 C ATOM 621 CZ TYR A 35 -0.497 12.815 4.491 1.00 0.00 C ATOM 622 OH TYR A 35 -1.260 13.818 3.941 1.00 0.00 O ATOM 0 H TYR A 35 2.402 7.532 7.382 1.00 0.00 H new ATOM 0 HA TYR A 35 2.245 10.281 8.254 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.938 9.871 5.996 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.636 8.733 5.712 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.785 9.677 5.664 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.673 12.155 5.401 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.144 11.471 4.684 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.314 13.948 4.414 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.804 14.678 4.059 1.00 0.00 H new ATOM 632 N PHE A 36 -0.484 8.473 7.951 1.00 0.00 N ATOM 633 CA PHE A 36 -1.917 8.448 8.237 1.00 0.00 C ATOM 634 C PHE A 36 -2.210 8.405 9.738 1.00 0.00 C ATOM 635 O PHE A 36 -2.981 9.220 10.244 1.00 0.00 O ATOM 636 CB PHE A 36 -2.573 7.254 7.526 1.00 0.00 C ATOM 637 CG PHE A 36 -3.103 7.587 6.154 1.00 0.00 C ATOM 638 CD1 PHE A 36 -4.277 8.309 6.013 1.00 0.00 C ATOM 639 CD2 PHE A 36 -2.429 7.184 5.009 1.00 0.00 C ATOM 640 CE1 PHE A 36 -4.770 8.621 4.761 1.00 0.00 C ATOM 641 CE2 PHE A 36 -2.918 7.494 3.754 1.00 0.00 C ATOM 642 CZ PHE A 36 -4.090 8.214 3.630 1.00 0.00 C ATOM 0 H PHE A 36 -0.101 7.581 7.638 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.344 9.376 7.857 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.844 6.448 7.439 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.391 6.880 8.142 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.813 8.632 6.893 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.512 6.622 5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.687 9.183 4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.384 7.174 2.871 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.474 8.458 2.651 1.00 0.00 H new ATOM 652 N THR A 37 -1.611 7.454 10.448 1.00 0.00 N ATOM 653 CA THR A 37 -1.843 7.327 11.887 1.00 0.00 C ATOM 654 C THR A 37 -1.597 8.650 12.606 1.00 0.00 C ATOM 655 O THR A 37 -2.471 9.151 13.314 1.00 0.00 O ATOM 656 CB THR A 37 -0.960 6.233 12.491 1.00 0.00 C ATOM 657 OG1 THR A 37 0.406 6.459 12.189 1.00 0.00 O ATOM 658 CG2 THR A 37 -1.318 4.845 12.015 1.00 0.00 C ATOM 0 H THR A 37 -0.967 6.766 10.058 1.00 0.00 H new ATOM 0 HA THR A 37 -2.888 7.049 12.024 1.00 0.00 H new ATOM 0 HB THR A 37 -1.134 6.285 13.566 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.549 6.359 11.225 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.654 4.118 12.482 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.349 4.622 12.288 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.210 4.793 10.932 1.00 0.00 H new ATOM 666 N ARG A 38 -0.408 9.218 12.424 1.00 0.00 N ATOM 667 CA ARG A 38 -0.065 10.487 13.061 1.00 0.00 C ATOM 668 C ARG A 38 -1.161 11.524 12.821 1.00 0.00 C ATOM 669 O ARG A 38 -1.666 12.137 13.761 1.00 0.00 O ATOM 670 CB ARG A 38 1.277 11.002 12.537 1.00 0.00 C ATOM 671 CG ARG A 38 2.465 10.167 12.993 1.00 0.00 C ATOM 672 CD ARG A 38 3.785 10.708 12.451 1.00 0.00 C ATOM 673 NE ARG A 38 4.461 11.572 13.417 1.00 0.00 N ATOM 674 CZ ARG A 38 4.996 11.133 14.556 1.00 0.00 C ATOM 675 NH1 ARG A 38 4.930 9.847 14.876 1.00 0.00 N ATOM 676 NH2 ARG A 38 5.596 11.985 15.377 1.00 0.00 N ATOM 0 H ARG A 38 0.331 8.822 11.844 1.00 0.00 H new ATOM 0 HA ARG A 38 0.021 10.319 14.134 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.251 11.019 11.447 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.417 12.031 12.868 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.500 10.150 14.082 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.332 9.137 12.663 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.438 9.875 12.190 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.599 11.266 11.534 1.00 0.00 H new ATOM 0 HE ARG A 38 4.527 12.568 13.207 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.468 9.188 14.249 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.341 9.517 15.749 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.647 12.975 15.136 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.006 11.650 16.249 1.00 0.00 H new ATOM 690 N LEU A 39 -1.529 11.705 11.555 1.00 0.00 N ATOM 691 CA LEU A 39 -2.573 12.661 11.192 1.00 0.00 C ATOM 692 C LEU A 39 -3.802 12.471 12.084 1.00 0.00 C ATOM 693 O LEU A 39 -4.254 13.406 12.744 1.00 0.00 O ATOM 694 CB LEU A 39 -2.954 12.494 9.715 1.00 0.00 C ATOM 695 CG LEU A 39 -3.540 13.743 9.047 1.00 0.00 C ATOM 696 CD1 LEU A 39 -3.764 13.496 7.561 1.00 0.00 C ATOM 697 CD2 LEU A 39 -4.841 14.155 9.724 1.00 0.00 C ATOM 0 H LEU A 39 -1.122 11.204 10.765 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.190 13.670 11.341 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.068 12.187 9.160 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.678 11.684 9.633 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.826 14.559 9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.180 14.393 7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.814 13.253 7.085 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.458 12.666 7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.240 15.043 9.235 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.564 13.343 9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.651 14.374 10.775 1.00 0.00 H new ATOM 709 N ARG A 40 -4.325 11.249 12.105 1.00 0.00 N ATOM 710 CA ARG A 40 -5.488 10.924 12.921 1.00 0.00 C ATOM 711 C ARG A 40 -5.177 11.104 14.407 1.00 0.00 C ATOM 712 O ARG A 40 -5.852 11.856 15.108 1.00 0.00 O ATOM 713 CB ARG A 40 -5.936 9.481 12.645 1.00 0.00 C ATOM 714 CG ARG A 40 -7.418 9.345 12.346 1.00 0.00 C ATOM 715 CD ARG A 40 -7.832 7.887 12.303 1.00 0.00 C ATOM 716 NE ARG A 40 -7.872 7.306 13.639 1.00 0.00 N ATOM 717 CZ ARG A 40 -8.047 6.008 13.883 1.00 0.00 C ATOM 718 NH1 ARG A 40 -8.197 5.151 12.881 1.00 0.00 N ATOM 719 NH2 ARG A 40 -8.070 5.567 15.133 1.00 0.00 N ATOM 0 H ARG A 40 -3.960 10.465 11.564 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.296 11.606 12.656 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.367 9.089 11.802 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.691 8.863 13.509 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.996 9.869 13.108 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.645 9.820 11.391 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.813 7.799 11.837 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.133 7.327 11.682 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.759 7.932 14.437 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.179 5.485 11.917 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.331 4.158 13.074 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.954 6.221 15.907 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.204 4.573 15.321 1.00 0.00 H new ATOM 963 N PRO B 7 9.137 3.637 -7.561 1.00 0.00 N ATOM 964 CA PRO B 7 8.494 2.431 -8.070 1.00 0.00 C ATOM 965 C PRO B 7 7.562 1.780 -7.045 1.00 0.00 C ATOM 966 O PRO B 7 8.008 1.319 -5.994 1.00 0.00 O ATOM 967 CB PRO B 7 9.697 1.535 -8.351 1.00 0.00 C ATOM 968 CG PRO B 7 10.666 1.871 -7.263 1.00 0.00 C ATOM 969 CD PRO B 7 10.398 3.312 -6.867 1.00 0.00 C ATOM 0 HA PRO B 7 7.854 2.622 -8.931 1.00 0.00 H new ATOM 0 HB2 PRO B 7 9.422 0.480 -8.328 1.00 0.00 H new ATOM 0 HB3 PRO B 7 10.120 1.733 -9.336 1.00 0.00 H new ATOM 0 HG2 PRO B 7 10.536 1.205 -6.410 1.00 0.00 H new ATOM 0 HG3 PRO B 7 11.693 1.749 -7.608 1.00 0.00 H new ATOM 0 HD2 PRO B 7 10.299 3.419 -5.787 1.00 0.00 H new ATOM 0 HD3 PRO B 7 11.208 3.971 -7.180 1.00 0.00 H new ATOM 977 N GLY B 8 6.268 1.736 -7.369 1.00 0.00 N ATOM 978 CA GLY B 8 5.287 1.128 -6.479 1.00 0.00 C ATOM 979 C GLY B 8 4.310 2.134 -5.899 1.00 0.00 C ATOM 980 O GLY B 8 3.153 1.805 -5.639 1.00 0.00 O ATOM 0 H GLY B 8 5.881 2.112 -8.235 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.733 0.365 -7.025 1.00 0.00 H new ATOM 0 HA3 GLY B 8 5.807 0.623 -5.665 1.00 0.00 H new ATOM 984 N LEU B 9 4.774 3.362 -5.696 1.00 0.00 N ATOM 985 CA LEU B 9 3.936 4.423 -5.143 1.00 0.00 C ATOM 986 C LEU B 9 2.585 4.487 -5.854 1.00 0.00 C ATOM 987 O LEU B 9 1.539 4.505 -5.207 1.00 0.00 O ATOM 988 CB LEU B 9 4.658 5.771 -5.262 1.00 0.00 C ATOM 989 CG LEU B 9 4.111 6.895 -4.363 1.00 0.00 C ATOM 990 CD1 LEU B 9 5.179 7.949 -4.096 1.00 0.00 C ATOM 991 CD2 LEU B 9 2.879 7.542 -4.990 1.00 0.00 C ATOM 0 H LEU B 9 5.730 3.649 -5.907 1.00 0.00 H new ATOM 0 HA LEU B 9 3.753 4.201 -4.092 1.00 0.00 H new ATOM 0 HB2 LEU B 9 5.712 5.621 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU B 9 4.606 6.101 -6.300 1.00 0.00 H new ATOM 0 HG LEU B 9 3.822 6.448 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU B 9 4.767 8.731 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU B 9 6.031 7.486 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU B 9 5.505 8.384 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.511 8.333 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU B 9 3.144 7.966 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU B 9 2.101 6.790 -5.123 1.00 0.00 H new ATOM 1003 N THR B 10 2.608 4.521 -7.178 1.00 0.00 N ATOM 1004 CA THR B 10 1.372 4.586 -7.952 1.00 0.00 C ATOM 1005 C THR B 10 0.420 3.453 -7.576 1.00 0.00 C ATOM 1006 O THR B 10 -0.775 3.671 -7.380 1.00 0.00 O ATOM 1007 CB THR B 10 1.669 4.532 -9.450 1.00 0.00 C ATOM 1008 OG1 THR B 10 2.636 5.503 -9.803 1.00 0.00 O ATOM 1009 CG2 THR B 10 0.441 4.763 -10.312 1.00 0.00 C ATOM 0 H THR B 10 3.461 4.505 -7.738 1.00 0.00 H new ATOM 0 HA THR B 10 0.890 5.535 -7.717 1.00 0.00 H new ATOM 0 HB THR B 10 2.038 3.524 -9.638 1.00 0.00 H new ATOM 0 HG1 THR B 10 2.814 5.452 -10.765 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.720 4.712 -11.364 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.304 3.997 -10.097 1.00 0.00 H new ATOM 0 HG23 THR B 10 0.024 5.746 -10.095 1.00 0.00 H new ATOM 1017 N GLU B 11 0.959 2.240 -7.492 1.00 0.00 N ATOM 1018 CA GLU B 11 0.164 1.062 -7.156 1.00 0.00 C ATOM 1019 C GLU B 11 -0.409 1.139 -5.742 1.00 0.00 C ATOM 1020 O GLU B 11 -1.555 0.755 -5.512 1.00 0.00 O ATOM 1021 CB GLU B 11 1.013 -0.203 -7.305 1.00 0.00 C ATOM 1022 CG GLU B 11 0.199 -1.489 -7.291 1.00 0.00 C ATOM 1023 CD GLU B 11 -0.302 -1.848 -5.905 1.00 0.00 C ATOM 1024 OE1 GLU B 11 0.539 -2.040 -5.002 1.00 0.00 O ATOM 1025 OE2 GLU B 11 -1.534 -1.938 -5.724 1.00 0.00 O ATOM 0 H GLU B 11 1.947 2.046 -7.653 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.676 1.026 -7.850 1.00 0.00 H new ATOM 0 HB2 GLU B 11 1.572 -0.147 -8.239 1.00 0.00 H new ATOM 0 HB3 GLU B 11 1.744 -0.237 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -0.651 -1.383 -7.965 1.00 0.00 H new ATOM 0 HG3 GLU B 11 0.810 -2.306 -7.675 1.00 0.00 H new ATOM 1032 N LEU B 12 0.390 1.615 -4.791 1.00 0.00 N ATOM 1033 CA LEU B 12 -0.055 1.712 -3.402 1.00 0.00 C ATOM 1034 C LEU B 12 -1.273 2.626 -3.272 1.00 0.00 C ATOM 1035 O LEU B 12 -2.322 2.204 -2.786 1.00 0.00 O ATOM 1036 CB LEU B 12 1.087 2.212 -2.502 1.00 0.00 C ATOM 1037 CG LEU B 12 1.962 1.116 -1.876 1.00 0.00 C ATOM 1038 CD1 LEU B 12 1.129 0.169 -1.015 1.00 0.00 C ATOM 1039 CD2 LEU B 12 2.712 0.351 -2.959 1.00 0.00 C ATOM 0 H LEU B 12 1.344 1.938 -4.954 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.347 0.714 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.726 2.872 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.658 2.813 -1.700 1.00 0.00 H new ATOM 0 HG LEU B 12 2.693 1.596 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU B 12 1.776 -0.596 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.651 0.732 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.365 -0.306 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU B 12 3.327 -0.422 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.997 -0.112 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU B 12 3.349 1.039 -3.515 1.00 0.00 H new ATOM 1051 N LEU B 13 -1.138 3.873 -3.712 1.00 0.00 N ATOM 1052 CA LEU B 13 -2.242 4.825 -3.644 1.00 0.00 C ATOM 1053 C LEU B 13 -3.435 4.299 -4.439 1.00 0.00 C ATOM 1054 O LEU B 13 -4.590 4.540 -4.086 1.00 0.00 O ATOM 1055 CB LEU B 13 -1.803 6.192 -4.185 1.00 0.00 C ATOM 1056 CG LEU B 13 -1.004 7.056 -3.205 1.00 0.00 C ATOM 1057 CD1 LEU B 13 0.169 6.274 -2.632 1.00 0.00 C ATOM 1058 CD2 LEU B 13 -0.519 8.326 -3.893 1.00 0.00 C ATOM 0 H LEU B 13 -0.280 4.247 -4.117 1.00 0.00 H new ATOM 0 HA LEU B 13 -2.538 4.945 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -1.201 6.034 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -2.691 6.745 -4.492 1.00 0.00 H new ATOM 0 HG LEU B 13 -1.659 7.338 -2.380 1.00 0.00 H new ATOM 0 HD11 LEU B 13 0.723 6.906 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.202 5.395 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU B 13 0.827 5.960 -3.442 1.00 0.00 H new ATOM 0 HD21 LEU B 13 0.047 8.930 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU B 13 0.119 8.062 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -1.376 8.896 -4.252 1.00 0.00 H new ATOM 1070 N GLN B 14 -3.138 3.575 -5.513 1.00 0.00 N ATOM 1071 CA GLN B 14 -4.173 3.003 -6.366 1.00 0.00 C ATOM 1072 C GLN B 14 -4.860 1.829 -5.675 1.00 0.00 C ATOM 1073 O GLN B 14 -6.087 1.721 -5.691 1.00 0.00 O ATOM 1074 CB GLN B 14 -3.563 2.550 -7.695 1.00 0.00 C ATOM 1075 CG GLN B 14 -4.589 2.074 -8.717 1.00 0.00 C ATOM 1076 CD GLN B 14 -4.795 0.570 -8.684 1.00 0.00 C ATOM 1077 OE1 GLN B 14 -5.906 0.088 -8.464 1.00 0.00 O ATOM 1078 NE2 GLN B 14 -3.720 -0.177 -8.904 1.00 0.00 N ATOM 0 H GLN B 14 -2.185 3.370 -5.814 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.923 3.770 -6.559 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -2.995 3.376 -8.123 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -2.856 1.743 -7.502 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -5.541 2.571 -8.529 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.266 2.371 -9.715 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -2.819 0.266 -9.082 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -3.795 -1.194 -8.895 1.00 0.00 H new ATOM 1087 N GLY B 15 -4.066 0.952 -5.071 1.00 0.00 N ATOM 1088 CA GLY B 15 -4.615 -0.203 -4.385 1.00 0.00 C ATOM 1089 C GLY B 15 -5.624 0.173 -3.317 1.00 0.00 C ATOM 1090 O GLY B 15 -6.604 -0.537 -3.101 1.00 0.00 O ATOM 0 H GLY B 15 -3.049 1.021 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -5.091 -0.860 -5.113 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -3.803 -0.769 -3.928 1.00 0.00 H new ATOM 1094 N TYR B 16 -5.378 1.291 -2.642 1.00 0.00 N ATOM 1095 CA TYR B 16 -6.270 1.763 -1.586 1.00 0.00 C ATOM 1096 C TYR B 16 -7.487 2.475 -2.172 1.00 0.00 C ATOM 1097 O TYR B 16 -8.616 2.246 -1.744 1.00 0.00 O ATOM 1098 CB TYR B 16 -5.519 2.710 -0.644 1.00 0.00 C ATOM 1099 CG TYR B 16 -6.415 3.432 0.345 1.00 0.00 C ATOM 1100 CD1 TYR B 16 -6.992 2.749 1.408 1.00 0.00 C ATOM 1101 CD2 TYR B 16 -6.683 4.790 0.217 1.00 0.00 C ATOM 1102 CE1 TYR B 16 -7.811 3.396 2.314 1.00 0.00 C ATOM 1103 CE2 TYR B 16 -7.500 5.445 1.121 1.00 0.00 C ATOM 1104 CZ TYR B 16 -8.060 4.744 2.166 1.00 0.00 C ATOM 1105 OH TYR B 16 -8.873 5.392 3.068 1.00 0.00 O ATOM 0 H TYR B 16 -4.568 1.888 -2.807 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.616 0.895 -1.025 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.771 2.140 -0.093 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.982 3.449 -1.239 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.797 1.694 1.529 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.246 5.343 -0.602 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.253 2.849 3.133 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.698 6.501 1.008 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.574 6.320 3.170 1.00 0.00 H new ATOM 1115 N THR B 17 -7.243 3.344 -3.147 1.00 0.00 N ATOM 1116 CA THR B 17 -8.312 4.105 -3.786 1.00 0.00 C ATOM 1117 C THR B 17 -9.354 3.181 -4.399 1.00 0.00 C ATOM 1118 O THR B 17 -10.551 3.463 -4.363 1.00 0.00 O ATOM 1119 CB THR B 17 -7.735 5.027 -4.860 1.00 0.00 C ATOM 1120 OG1 THR B 17 -6.851 5.973 -4.287 1.00 0.00 O ATOM 1121 CG2 THR B 17 -8.793 5.794 -5.626 1.00 0.00 C ATOM 0 H THR B 17 -6.311 3.540 -3.513 1.00 0.00 H new ATOM 0 HA THR B 17 -8.800 4.708 -3.020 1.00 0.00 H new ATOM 0 HB THR B 17 -7.214 4.368 -5.554 1.00 0.00 H new ATOM 0 HG1 THR B 17 -5.928 5.655 -4.377 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.314 6.428 -6.372 1.00 0.00 H new ATOM 0 HG22 THR B 17 -9.463 5.092 -6.123 1.00 0.00 H new ATOM 0 HG23 THR B 17 -9.364 6.414 -4.935 1.00 0.00 H new ATOM 1129 N VAL B 18 -8.884 2.080 -4.963 1.00 0.00 N ATOM 1130 CA VAL B 18 -9.760 1.104 -5.591 1.00 0.00 C ATOM 1131 C VAL B 18 -10.721 0.498 -4.568 1.00 0.00 C ATOM 1132 O VAL B 18 -11.842 0.113 -4.904 1.00 0.00 O ATOM 1133 CB VAL B 18 -8.915 0.002 -6.286 1.00 0.00 C ATOM 1134 CG1 VAL B 18 -8.722 -1.212 -5.387 1.00 0.00 C ATOM 1135 CG2 VAL B 18 -9.524 -0.392 -7.624 1.00 0.00 C ATOM 0 H VAL B 18 -7.894 1.839 -4.999 1.00 0.00 H new ATOM 0 HA VAL B 18 -10.360 1.608 -6.348 1.00 0.00 H new ATOM 0 HB VAL B 18 -7.927 0.421 -6.478 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -8.126 -1.960 -5.909 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -8.208 -0.911 -4.474 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -9.694 -1.635 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -8.912 -1.165 -8.089 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -10.533 -0.774 -7.466 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -9.564 0.480 -8.277 1.00 0.00 H new ATOM 1145 N GLU B 19 -10.279 0.435 -3.313 1.00 0.00 N ATOM 1146 CA GLU B 19 -11.103 -0.105 -2.234 1.00 0.00 C ATOM 1147 C GLU B 19 -12.120 0.935 -1.771 1.00 0.00 C ATOM 1148 O GLU B 19 -13.291 0.619 -1.559 1.00 0.00 O ATOM 1149 CB GLU B 19 -10.229 -0.554 -1.058 1.00 0.00 C ATOM 1150 CG GLU B 19 -9.448 -1.835 -1.329 1.00 0.00 C ATOM 1151 CD GLU B 19 -9.058 -2.571 -0.060 1.00 0.00 C ATOM 1152 OE1 GLU B 19 -9.265 -2.013 1.038 1.00 0.00 O ATOM 1153 OE2 GLU B 19 -8.547 -3.705 -0.166 1.00 0.00 O ATOM 0 H GLU B 19 -9.355 0.751 -3.019 1.00 0.00 H new ATOM 0 HA GLU B 19 -11.640 -0.974 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -9.528 0.244 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -10.861 -0.703 -0.183 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -10.049 -2.495 -1.955 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -8.548 -1.593 -1.893 1.00 0.00 H new ATOM 1160 N VAL B 20 -11.670 2.180 -1.626 1.00 0.00 N ATOM 1161 CA VAL B 20 -12.550 3.265 -1.201 1.00 0.00 C ATOM 1162 C VAL B 20 -13.723 3.402 -2.164 1.00 0.00 C ATOM 1163 O VAL B 20 -14.858 3.625 -1.756 1.00 0.00 O ATOM 1164 CB VAL B 20 -11.797 4.617 -1.127 1.00 0.00 C ATOM 1165 CG1 VAL B 20 -12.670 5.700 -0.492 1.00 0.00 C ATOM 1166 CG2 VAL B 20 -10.484 4.462 -0.363 1.00 0.00 C ATOM 0 H VAL B 20 -10.704 2.461 -1.796 1.00 0.00 H new ATOM 0 HA VAL B 20 -12.913 3.015 -0.204 1.00 0.00 H new ATOM 0 HB VAL B 20 -11.566 4.929 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.116 6.638 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -13.572 5.836 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -12.945 5.399 0.519 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -9.971 5.423 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -10.691 4.118 0.650 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.851 3.734 -0.871 1.00 0.00 H new ATOM 1176 N LEU B 21 -13.430 3.277 -3.450 1.00 0.00 N ATOM 1177 CA LEU B 21 -14.447 3.392 -4.483 1.00 0.00 C ATOM 1178 C LEU B 21 -15.525 2.319 -4.326 1.00 0.00 C ATOM 1179 O LEU B 21 -16.720 2.613 -4.365 1.00 0.00 O ATOM 1180 CB LEU B 21 -13.797 3.285 -5.865 1.00 0.00 C ATOM 1181 CG LEU B 21 -13.035 4.539 -6.318 1.00 0.00 C ATOM 1182 CD1 LEU B 21 -11.897 4.177 -7.262 1.00 0.00 C ATOM 1183 CD2 LEU B 21 -13.979 5.528 -6.983 1.00 0.00 C ATOM 0 H LEU B 21 -12.491 3.095 -3.804 1.00 0.00 H new ATOM 0 HA LEU B 21 -14.926 4.366 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -13.109 2.440 -5.863 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -14.572 3.063 -6.599 1.00 0.00 H new ATOM 0 HG LEU B 21 -12.606 5.008 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -11.375 5.084 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -11.200 3.511 -6.753 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -12.300 3.677 -8.143 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -13.420 6.410 -7.297 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -14.440 5.062 -7.854 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -14.754 5.823 -6.276 1.00 0.00 H new ATOM 1195 N ARG B 22 -15.090 1.072 -4.176 1.00 0.00 N ATOM 1196 CA ARG B 22 -16.011 -0.058 -4.045 1.00 0.00 C ATOM 1197 C ARG B 22 -16.807 -0.038 -2.736 1.00 0.00 C ATOM 1198 O ARG B 22 -17.908 -0.586 -2.678 1.00 0.00 O ATOM 1199 CB ARG B 22 -15.244 -1.378 -4.144 1.00 0.00 C ATOM 1200 CG ARG B 22 -14.649 -1.637 -5.515 1.00 0.00 C ATOM 1201 CD ARG B 22 -14.008 -3.014 -5.592 1.00 0.00 C ATOM 1202 NE ARG B 22 -13.153 -3.287 -4.436 1.00 0.00 N ATOM 1203 CZ ARG B 22 -13.546 -3.943 -3.341 1.00 0.00 C ATOM 1204 NH1 ARG B 22 -14.790 -4.394 -3.227 1.00 0.00 N ATOM 1205 NH2 ARG B 22 -12.686 -4.147 -2.352 1.00 0.00 N ATOM 0 H ARG B 22 -14.103 0.815 -4.142 1.00 0.00 H new ATOM 0 HA ARG B 22 -16.725 0.033 -4.863 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -14.443 -1.379 -3.404 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -15.915 -2.198 -3.888 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -15.428 -1.554 -6.273 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -13.904 -0.874 -5.740 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -14.787 -3.774 -5.654 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -13.417 -3.088 -6.505 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.190 -2.953 -4.469 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -15.459 -4.241 -3.982 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -15.076 -4.893 -2.385 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -11.729 -3.803 -2.430 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.982 -4.647 -1.514 1.00 0.00 H new ATOM 1219 N GLN B 23 -16.249 0.559 -1.682 1.00 0.00 N ATOM 1220 CA GLN B 23 -16.925 0.598 -0.379 1.00 0.00 C ATOM 1221 C GLN B 23 -17.408 2.001 -0.033 1.00 0.00 C ATOM 1222 O GLN B 23 -18.572 2.197 0.315 1.00 0.00 O ATOM 1223 CB GLN B 23 -15.981 0.090 0.714 1.00 0.00 C ATOM 1224 CG GLN B 23 -15.760 -1.414 0.672 1.00 0.00 C ATOM 1225 CD GLN B 23 -17.004 -2.194 1.049 1.00 0.00 C ATOM 1226 OE1 GLN B 23 -17.535 -2.964 0.247 1.00 0.00 O ATOM 1227 NE2 GLN B 23 -17.477 -2.000 2.274 1.00 0.00 N ATOM 0 H GLN B 23 -15.339 1.019 -1.701 1.00 0.00 H new ATOM 0 HA GLN B 23 -17.800 -0.049 -0.441 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -15.019 0.594 0.616 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -16.386 0.363 1.689 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -15.443 -1.704 -0.330 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -14.950 -1.678 1.351 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -17.006 -1.353 2.906 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -18.312 -2.498 2.583 1.00 0.00 H new ATOM 1236 N GLN B 24 -16.504 2.967 -0.118 1.00 0.00 N ATOM 1237 CA GLN B 24 -16.828 4.352 0.197 1.00 0.00 C ATOM 1238 C GLN B 24 -17.157 4.495 1.686 1.00 0.00 C ATOM 1239 O GLN B 24 -18.321 4.413 2.081 1.00 0.00 O ATOM 1240 CB GLN B 24 -18.001 4.846 -0.658 1.00 0.00 C ATOM 1241 CG GLN B 24 -17.872 4.489 -2.132 1.00 0.00 C ATOM 1242 CD GLN B 24 -19.012 5.038 -2.968 1.00 0.00 C ATOM 1243 OE1 GLN B 24 -19.857 5.783 -2.474 1.00 0.00 O ATOM 1244 NE2 GLN B 24 -19.040 4.669 -4.245 1.00 0.00 N ATOM 0 H GLN B 24 -15.536 2.816 -0.404 1.00 0.00 H new ATOM 0 HA GLN B 24 -15.957 4.967 -0.031 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -18.927 4.422 -0.270 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -18.081 5.929 -0.560 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -16.927 4.876 -2.514 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -17.839 3.405 -2.238 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -18.318 4.049 -4.613 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -19.783 5.006 -4.857 1.00 0.00 H new ATOM 1253 N PRO B 25 -16.132 4.698 2.539 1.00 0.00 N ATOM 1254 CA PRO B 25 -16.315 4.835 3.984 1.00 0.00 C ATOM 1255 C PRO B 25 -16.628 6.273 4.402 1.00 0.00 C ATOM 1256 O PRO B 25 -16.591 7.185 3.576 1.00 0.00 O ATOM 1257 CB PRO B 25 -14.956 4.395 4.522 1.00 0.00 C ATOM 1258 CG PRO B 25 -13.987 4.869 3.491 1.00 0.00 C ATOM 1259 CD PRO B 25 -14.709 4.798 2.164 1.00 0.00 C ATOM 0 HA PRO B 25 -17.158 4.255 4.360 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -14.750 4.838 5.496 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -14.908 3.313 4.647 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -13.662 5.888 3.702 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -13.094 4.245 3.481 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -14.517 5.683 1.557 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -14.388 3.935 1.580 1.00 0.00 H new ATOM 1267 N PRO B 26 -16.945 6.500 5.694 1.00 0.00 N ATOM 1268 CA PRO B 26 -17.265 7.836 6.201 1.00 0.00 C ATOM 1269 C PRO B 26 -16.025 8.718 6.342 1.00 0.00 C ATOM 1270 O PRO B 26 -16.116 9.943 6.263 1.00 0.00 O ATOM 1271 CB PRO B 26 -17.897 7.567 7.585 1.00 0.00 C ATOM 1272 CG PRO B 26 -18.065 6.083 7.672 1.00 0.00 C ATOM 1273 CD PRO B 26 -17.027 5.495 6.763 1.00 0.00 C ATOM 0 HA PRO B 26 -17.923 8.376 5.521 1.00 0.00 H new ATOM 0 HB2 PRO B 26 -17.257 7.936 8.386 1.00 0.00 H new ATOM 0 HB3 PRO B 26 -18.856 8.076 7.683 1.00 0.00 H new ATOM 0 HG2 PRO B 26 -17.929 5.734 8.696 1.00 0.00 H new ATOM 0 HG3 PRO B 26 -19.067 5.785 7.364 1.00 0.00 H new ATOM 0 HD2 PRO B 26 -16.071 5.361 7.270 1.00 0.00 H new ATOM 0 HD3 PRO B 26 -17.326 4.519 6.382 1.00 0.00 H new ATOM 1281 N ASP B 27 -14.867 8.090 6.559 1.00 0.00 N ATOM 1282 CA ASP B 27 -13.610 8.821 6.720 1.00 0.00 C ATOM 1283 C ASP B 27 -12.511 8.205 5.862 1.00 0.00 C ATOM 1284 O ASP B 27 -12.381 6.985 5.774 1.00 0.00 O ATOM 1285 CB ASP B 27 -13.189 8.839 8.201 1.00 0.00 C ATOM 1286 CG ASP B 27 -13.238 10.230 8.810 1.00 0.00 C ATOM 1287 OD1 ASP B 27 -12.456 11.098 8.369 1.00 0.00 O ATOM 1288 OD2 ASP B 27 -14.059 10.448 9.727 1.00 0.00 O ATOM 0 H ASP B 27 -14.775 7.076 6.627 1.00 0.00 H new ATOM 0 HA ASP B 27 -13.766 9.847 6.388 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.843 8.176 8.768 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -12.177 8.443 8.291 1.00 0.00 H new ATOM 1293 N LEU B 28 -11.718 9.069 5.237 1.00 0.00 N ATOM 1294 CA LEU B 28 -10.617 8.630 4.388 1.00 0.00 C ATOM 1295 C LEU B 28 -9.382 8.333 5.236 1.00 0.00 C ATOM 1296 O LEU B 28 -8.642 7.387 4.970 1.00 0.00 O ATOM 1297 CB LEU B 28 -10.286 9.709 3.344 1.00 0.00 C ATOM 1298 CG LEU B 28 -11.300 9.875 2.201 1.00 0.00 C ATOM 1299 CD1 LEU B 28 -11.132 8.780 1.151 1.00 0.00 C ATOM 1300 CD2 LEU B 28 -12.726 9.894 2.736 1.00 0.00 C ATOM 0 H LEU B 28 -11.818 10.082 5.303 1.00 0.00 H new ATOM 0 HA LEU B 28 -10.920 7.719 3.871 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.188 10.665 3.858 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -9.313 9.479 2.909 1.00 0.00 H new ATOM 0 HG LEU B 28 -11.104 10.834 1.721 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.863 8.924 0.355 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -10.126 8.828 0.733 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -11.287 7.805 1.614 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -13.424 10.012 1.907 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -12.933 8.957 3.254 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -12.843 10.726 3.431 1.00 0.00 H new ATOM 1312 N VAL B 29 -9.168 9.160 6.254 1.00 0.00 N ATOM 1313 CA VAL B 29 -8.025 9.007 7.148 1.00 0.00 C ATOM 1314 C VAL B 29 -8.121 7.724 7.971 1.00 0.00 C ATOM 1315 O VAL B 29 -7.119 7.048 8.198 1.00 0.00 O ATOM 1316 CB VAL B 29 -7.893 10.218 8.100 1.00 0.00 C ATOM 1317 CG1 VAL B 29 -9.099 10.320 9.027 1.00 0.00 C ATOM 1318 CG2 VAL B 29 -6.599 10.141 8.902 1.00 0.00 C ATOM 0 H VAL B 29 -9.775 9.948 6.482 1.00 0.00 H new ATOM 0 HA VAL B 29 -7.138 8.951 6.516 1.00 0.00 H new ATOM 0 HB VAL B 29 -7.861 11.121 7.490 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -8.980 11.180 9.686 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -10.005 10.440 8.433 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -9.175 9.412 9.626 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -6.529 11.004 9.564 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -6.593 9.227 9.496 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -5.748 10.137 8.221 1.00 0.00 H new ATOM 1328 N GLU B 30 -9.328 7.395 8.425 1.00 0.00 N ATOM 1329 CA GLU B 30 -9.539 6.195 9.232 1.00 0.00 C ATOM 1330 C GLU B 30 -9.391 4.930 8.392 1.00 0.00 C ATOM 1331 O GLU B 30 -8.583 4.057 8.704 1.00 0.00 O ATOM 1332 CB GLU B 30 -10.923 6.234 9.884 1.00 0.00 C ATOM 1333 CG GLU B 30 -11.090 5.238 11.019 1.00 0.00 C ATOM 1334 CD GLU B 30 -12.520 5.145 11.511 1.00 0.00 C ATOM 1335 OE1 GLU B 30 -12.907 5.966 12.370 1.00 0.00 O ATOM 1336 OE2 GLU B 30 -13.255 4.255 11.035 1.00 0.00 O ATOM 0 H GLU B 30 -10.172 7.940 8.249 1.00 0.00 H new ATOM 0 HA GLU B 30 -8.776 6.175 10.010 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -11.108 7.239 10.264 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -11.679 6.036 9.124 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -10.761 4.254 10.685 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -10.443 5.526 11.848 1.00 0.00 H new ATOM 1343 N PHE B 31 -10.177 4.839 7.325 1.00 0.00 N ATOM 1344 CA PHE B 31 -10.136 3.683 6.436 1.00 0.00 C ATOM 1345 C PHE B 31 -8.731 3.457 5.879 1.00 0.00 C ATOM 1346 O PHE B 31 -8.379 2.341 5.498 1.00 0.00 O ATOM 1347 CB PHE B 31 -11.133 3.866 5.292 1.00 0.00 C ATOM 1348 CG PHE B 31 -11.275 2.651 4.419 1.00 0.00 C ATOM 1349 CD1 PHE B 31 -11.848 1.491 4.912 1.00 0.00 C ATOM 1350 CD2 PHE B 31 -10.836 2.671 3.105 1.00 0.00 C ATOM 1351 CE1 PHE B 31 -11.981 0.372 4.113 1.00 0.00 C ATOM 1352 CE2 PHE B 31 -10.965 1.555 2.300 1.00 0.00 C ATOM 1353 CZ PHE B 31 -11.538 0.404 2.804 1.00 0.00 C ATOM 0 H PHE B 31 -10.852 5.554 7.054 1.00 0.00 H new ATOM 0 HA PHE B 31 -10.411 2.802 7.016 1.00 0.00 H new ATOM 0 HB2 PHE B 31 -12.108 4.121 5.708 1.00 0.00 H new ATOM 0 HB3 PHE B 31 -10.818 4.710 4.678 1.00 0.00 H new ATOM 0 HD1 PHE B 31 -12.195 1.461 5.934 1.00 0.00 H new ATOM 0 HD2 PHE B 31 -10.388 3.569 2.705 1.00 0.00 H new ATOM 0 HE1 PHE B 31 -12.430 -0.526 4.510 1.00 0.00 H new ATOM 0 HE2 PHE B 31 -10.618 1.583 1.278 1.00 0.00 H new ATOM 0 HZ PHE B 31 -11.640 -0.469 2.177 1.00 0.00 H new ATOM 1363 N ALA B 32 -7.940 4.522 5.824 1.00 0.00 N ATOM 1364 CA ALA B 32 -6.579 4.443 5.302 1.00 0.00 C ATOM 1365 C ALA B 32 -5.625 3.758 6.275 1.00 0.00 C ATOM 1366 O ALA B 32 -4.791 2.952 5.866 1.00 0.00 O ATOM 1367 CB ALA B 32 -6.083 5.834 4.948 1.00 0.00 C ATOM 0 H ALA B 32 -8.218 5.453 6.135 1.00 0.00 H new ATOM 0 HA ALA B 32 -6.602 3.828 4.402 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -5.067 5.770 4.559 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -6.734 6.271 4.191 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -6.091 6.461 5.840 1.00 0.00 H new ATOM 1373 N VAL B 33 -5.746 4.072 7.559 1.00 0.00 N ATOM 1374 CA VAL B 33 -4.880 3.467 8.566 1.00 0.00 C ATOM 1375 C VAL B 33 -5.044 1.948 8.586 1.00 0.00 C ATOM 1376 O VAL B 33 -4.085 1.206 8.380 1.00 0.00 O ATOM 1377 CB VAL B 33 -5.157 4.042 9.975 1.00 0.00 C ATOM 1378 CG1 VAL B 33 -4.423 3.245 11.049 1.00 0.00 C ATOM 1379 CG2 VAL B 33 -4.758 5.508 10.034 1.00 0.00 C ATOM 0 H VAL B 33 -6.428 4.735 7.926 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.853 3.710 8.293 1.00 0.00 H new ATOM 0 HB VAL B 33 -6.226 3.961 10.170 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -4.637 3.672 12.029 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -4.757 2.208 11.025 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -3.350 3.285 10.862 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -4.958 5.900 11.031 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.695 5.605 9.813 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.334 6.072 9.300 1.00 0.00 H new ATOM 1389 N GLU B 34 -6.266 1.495 8.842 1.00 0.00 N ATOM 1390 CA GLU B 34 -6.562 0.065 8.901 1.00 0.00 C ATOM 1391 C GLU B 34 -6.047 -0.673 7.666 1.00 0.00 C ATOM 1392 O GLU B 34 -5.653 -1.836 7.750 1.00 0.00 O ATOM 1393 CB GLU B 34 -8.069 -0.156 9.045 1.00 0.00 C ATOM 1394 CG GLU B 34 -8.648 0.412 10.331 1.00 0.00 C ATOM 1395 CD GLU B 34 -10.079 -0.029 10.571 1.00 0.00 C ATOM 1396 OE1 GLU B 34 -10.895 0.068 9.631 1.00 0.00 O ATOM 1397 OE2 GLU B 34 -10.383 -0.471 11.699 1.00 0.00 O ATOM 0 H GLU B 34 -7.071 2.098 9.013 1.00 0.00 H new ATOM 0 HA GLU B 34 -6.048 -0.340 9.772 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -8.577 0.300 8.195 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -8.276 -1.225 9.004 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -8.030 0.100 11.173 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -8.609 1.501 10.293 1.00 0.00 H new ATOM 1404 N TYR B 35 -6.061 0.000 6.520 1.00 0.00 N ATOM 1405 CA TYR B 35 -5.604 -0.604 5.271 1.00 0.00 C ATOM 1406 C TYR B 35 -4.094 -0.842 5.278 1.00 0.00 C ATOM 1407 O TYR B 35 -3.638 -1.935 4.945 1.00 0.00 O ATOM 1408 CB TYR B 35 -5.988 0.283 4.082 1.00 0.00 C ATOM 1409 CG TYR B 35 -5.476 -0.218 2.744 1.00 0.00 C ATOM 1410 CD1 TYR B 35 -4.145 -0.047 2.381 1.00 0.00 C ATOM 1411 CD2 TYR B 35 -6.324 -0.855 1.840 1.00 0.00 C ATOM 1412 CE1 TYR B 35 -3.674 -0.494 1.161 1.00 0.00 C ATOM 1413 CE2 TYR B 35 -5.858 -1.304 0.617 1.00 0.00 C ATOM 1414 CZ TYR B 35 -4.534 -1.121 0.284 1.00 0.00 C ATOM 1415 OH TYR B 35 -4.066 -1.567 -0.931 1.00 0.00 O ATOM 0 H TYR B 35 -6.383 0.963 6.429 1.00 0.00 H new ATOM 0 HA TYR B 35 -6.095 -1.572 5.174 1.00 0.00 H new ATOM 0 HB2 TYR B 35 -7.074 0.361 4.037 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -5.603 1.288 4.253 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -3.467 0.444 3.064 1.00 0.00 H new ATOM 0 HD2 TYR B 35 -7.362 -1.001 2.098 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -2.637 -0.353 0.896 1.00 0.00 H new ATOM 0 HE2 TYR B 35 -6.529 -1.795 -0.073 1.00 0.00 H new ATOM 0 HH TYR B 35 -4.798 -1.987 -1.429 1.00 0.00 H new ATOM 1425 N PHE B 36 -3.314 0.176 5.636 1.00 0.00 N ATOM 1426 CA PHE B 36 -1.860 0.040 5.651 1.00 0.00 C ATOM 1427 C PHE B 36 -1.393 -0.837 6.812 1.00 0.00 C ATOM 1428 O PHE B 36 -0.440 -1.603 6.670 1.00 0.00 O ATOM 1429 CB PHE B 36 -1.197 1.419 5.709 1.00 0.00 C ATOM 1430 CG PHE B 36 -1.316 2.181 4.415 1.00 0.00 C ATOM 1431 CD1 PHE B 36 -0.638 1.751 3.288 1.00 0.00 C ATOM 1432 CD2 PHE B 36 -2.108 3.317 4.323 1.00 0.00 C ATOM 1433 CE1 PHE B 36 -0.745 2.436 2.092 1.00 0.00 C ATOM 1434 CE2 PHE B 36 -2.219 4.007 3.130 1.00 0.00 C ATOM 1435 CZ PHE B 36 -1.536 3.564 2.013 1.00 0.00 C ATOM 0 H PHE B 36 -3.660 1.094 5.916 1.00 0.00 H new ATOM 0 HA PHE B 36 -1.558 -0.453 4.727 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -1.651 2.001 6.511 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -0.143 1.300 5.959 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -0.017 0.869 3.343 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -2.644 3.666 5.193 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -0.210 2.089 1.220 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -2.838 4.890 3.071 1.00 0.00 H new ATOM 0 HZ PHE B 36 -1.621 4.100 1.079 1.00 0.00 H new ATOM 1445 N THR B 37 -2.071 -0.738 7.952 1.00 0.00 N ATOM 1446 CA THR B 37 -1.712 -1.548 9.113 1.00 0.00 C ATOM 1447 C THR B 37 -1.914 -3.027 8.799 1.00 0.00 C ATOM 1448 O THR B 37 -1.075 -3.867 9.119 1.00 0.00 O ATOM 1449 CB THR B 37 -2.558 -1.155 10.329 1.00 0.00 C ATOM 1450 OG1 THR B 37 -3.931 -1.400 10.084 1.00 0.00 O ATOM 1451 CG2 THR B 37 -2.415 0.300 10.726 1.00 0.00 C ATOM 0 H THR B 37 -2.863 -0.112 8.097 1.00 0.00 H new ATOM 0 HA THR B 37 -0.663 -1.369 9.347 1.00 0.00 H new ATOM 0 HB THR B 37 -2.183 -1.771 11.146 1.00 0.00 H new ATOM 0 HG1 THR B 37 -4.435 -1.297 10.918 1.00 0.00 H new ATOM 0 HG21 THR B 37 -3.043 0.504 11.593 1.00 0.00 H new ATOM 0 HG22 THR B 37 -1.374 0.509 10.974 1.00 0.00 H new ATOM 0 HG23 THR B 37 -2.725 0.936 9.897 1.00 0.00 H new ATOM 1459 N ARG B 38 -3.036 -3.328 8.155 1.00 0.00 N ATOM 1460 CA ARG B 38 -3.361 -4.699 7.777 1.00 0.00 C ATOM 1461 C ARG B 38 -2.237 -5.295 6.933 1.00 0.00 C ATOM 1462 O ARG B 38 -1.867 -6.457 7.099 1.00 0.00 O ATOM 1463 CB ARG B 38 -4.683 -4.737 7.007 1.00 0.00 C ATOM 1464 CG ARG B 38 -5.206 -6.146 6.746 1.00 0.00 C ATOM 1465 CD ARG B 38 -4.449 -6.849 5.621 1.00 0.00 C ATOM 1466 NE ARG B 38 -5.347 -7.597 4.743 1.00 0.00 N ATOM 1467 CZ ARG B 38 -4.970 -8.156 3.594 1.00 0.00 C ATOM 1468 NH1 ARG B 38 -3.712 -8.062 3.182 1.00 0.00 N ATOM 1469 NH2 ARG B 38 -5.855 -8.810 2.855 1.00 0.00 N ATOM 0 H ARG B 38 -3.738 -2.639 7.883 1.00 0.00 H new ATOM 0 HA ARG B 38 -3.469 -5.295 8.683 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.434 -4.179 7.566 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -4.551 -4.226 6.053 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -5.124 -6.736 7.659 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -6.265 -6.096 6.492 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -3.901 -6.111 5.036 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -3.711 -7.528 6.049 1.00 0.00 H new ATOM 0 HE ARG B 38 -6.321 -7.697 5.027 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -3.027 -7.559 3.746 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -3.430 -8.492 2.301 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -6.823 -8.885 3.166 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -5.568 -9.238 1.975 1.00 0.00 H new ATOM 1483 N LEU B 39 -1.694 -4.482 6.031 1.00 0.00 N ATOM 1484 CA LEU B 39 -0.603 -4.915 5.160 1.00 0.00 C ATOM 1485 C LEU B 39 0.708 -5.025 5.942 1.00 0.00 C ATOM 1486 O LEU B 39 1.374 -6.058 5.913 1.00 0.00 O ATOM 1487 CB LEU B 39 -0.438 -3.940 3.976 1.00 0.00 C ATOM 1488 CG LEU B 39 -0.872 -4.489 2.611 1.00 0.00 C ATOM 1489 CD1 LEU B 39 -2.377 -4.692 2.568 1.00 0.00 C ATOM 1490 CD2 LEU B 39 -0.426 -3.554 1.495 1.00 0.00 C ATOM 0 H LEU B 39 -1.992 -3.518 5.883 1.00 0.00 H new ATOM 0 HA LEU B 39 -0.853 -5.901 4.769 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -1.013 -3.038 4.186 1.00 0.00 H new ATOM 0 HB3 LEU B 39 0.609 -3.643 3.914 1.00 0.00 H new ATOM 0 HG LEU B 39 -0.393 -5.457 2.462 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.664 -5.082 1.591 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -2.671 -5.401 3.342 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -2.878 -3.739 2.740 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -0.742 -3.958 0.533 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -0.876 -2.572 1.641 1.00 0.00 H new ATOM 0 HD23 LEU B 39 0.660 -3.461 1.510 1.00 0.00 H new ATOM 1502 N ARG B 40 1.076 -3.946 6.629 1.00 0.00 N ATOM 1503 CA ARG B 40 2.313 -3.915 7.408 1.00 0.00 C ATOM 1504 C ARG B 40 2.360 -5.047 8.434 1.00 0.00 C ATOM 1505 O ARG B 40 3.397 -5.679 8.623 1.00 0.00 O ATOM 1506 CB ARG B 40 2.473 -2.553 8.111 1.00 0.00 C ATOM 1507 CG ARG B 40 3.508 -1.646 7.459 1.00 0.00 C ATOM 1508 CD ARG B 40 4.925 -2.131 7.722 1.00 0.00 C ATOM 1509 NE ARG B 40 5.331 -1.901 9.104 1.00 0.00 N ATOM 1510 CZ ARG B 40 6.432 -2.412 9.651 1.00 0.00 C ATOM 1511 NH1 ARG B 40 7.247 -3.178 8.934 1.00 0.00 N ATOM 1512 NH2 ARG B 40 6.721 -2.157 10.920 1.00 0.00 N ATOM 0 H ARG B 40 0.536 -3.081 6.663 1.00 0.00 H new ATOM 0 HA ARG B 40 3.142 -4.057 6.715 1.00 0.00 H new ATOM 0 HB2 ARG B 40 1.510 -2.043 8.120 1.00 0.00 H new ATOM 0 HB3 ARG B 40 2.754 -2.721 9.151 1.00 0.00 H new ATOM 0 HG2 ARG B 40 3.331 -1.605 6.384 1.00 0.00 H new ATOM 0 HG3 ARG B 40 3.394 -0.631 7.840 1.00 0.00 H new ATOM 0 HD2 ARG B 40 4.992 -3.195 7.496 1.00 0.00 H new ATOM 0 HD3 ARG B 40 5.614 -1.619 7.051 1.00 0.00 H new ATOM 0 HE ARG B 40 4.735 -1.313 9.687 1.00 0.00 H new ATOM 0 HH11 ARG B 40 7.031 -3.378 7.957 1.00 0.00 H new ATOM 0 HH12 ARG B 40 8.089 -3.566 9.360 1.00 0.00 H new ATOM 0 HH21 ARG B 40 6.100 -1.570 11.476 1.00 0.00 H new ATOM 0 HH22 ARG B 40 7.564 -2.548 11.340 1.00 0.00 H new ATOM 1754 N GLU C 591 -14.203 -3.694 -13.583 1.00 0.00 N ATOM 1755 CA GLU C 591 -13.653 -2.912 -14.694 1.00 0.00 C ATOM 1756 C GLU C 591 -13.686 -1.401 -14.441 1.00 0.00 C ATOM 1757 O GLU C 591 -12.660 -0.802 -14.116 1.00 0.00 O ATOM 1758 CB GLU C 591 -14.408 -3.242 -15.987 1.00 0.00 C ATOM 1759 CG GLU C 591 -14.076 -4.614 -16.550 1.00 0.00 C ATOM 1760 CD GLU C 591 -14.928 -4.973 -17.751 1.00 0.00 C ATOM 1761 OE1 GLU C 591 -16.139 -5.221 -17.568 1.00 0.00 O ATOM 1762 OE2 GLU C 591 -14.386 -5.004 -18.876 1.00 0.00 O ATOM 0 HA GLU C 591 -12.604 -3.192 -14.788 1.00 0.00 H new ATOM 0 HB2 GLU C 591 -15.480 -3.186 -15.797 1.00 0.00 H new ATOM 0 HB3 GLU C 591 -14.177 -2.485 -16.736 1.00 0.00 H new ATOM 0 HG2 GLU C 591 -13.024 -4.641 -16.834 1.00 0.00 H new ATOM 0 HG3 GLU C 591 -14.216 -5.365 -15.773 1.00 0.00 H new ATOM 1769 N GLU C 592 -14.854 -0.781 -14.614 1.00 0.00 N ATOM 1770 CA GLU C 592 -15.008 0.662 -14.429 1.00 0.00 C ATOM 1771 C GLU C 592 -14.375 1.151 -13.127 1.00 0.00 C ATOM 1772 O GLU C 592 -13.969 2.307 -13.017 1.00 0.00 O ATOM 1773 CB GLU C 592 -16.494 1.043 -14.461 1.00 0.00 C ATOM 1774 CG GLU C 592 -17.087 1.073 -15.862 1.00 0.00 C ATOM 1775 CD GLU C 592 -17.320 -0.313 -16.431 1.00 0.00 C ATOM 1776 OE1 GLU C 592 -18.141 -1.059 -15.859 1.00 0.00 O ATOM 1777 OE2 GLU C 592 -16.681 -0.652 -17.450 1.00 0.00 O ATOM 0 H GLU C 592 -15.713 -1.260 -14.884 1.00 0.00 H new ATOM 0 HA GLU C 592 -14.484 1.150 -15.251 1.00 0.00 H new ATOM 0 HB2 GLU C 592 -17.055 0.333 -13.853 1.00 0.00 H new ATOM 0 HB3 GLU C 592 -16.619 2.024 -14.002 1.00 0.00 H new ATOM 0 HG2 GLU C 592 -18.032 1.615 -15.840 1.00 0.00 H new ATOM 0 HG3 GLU C 592 -16.418 1.624 -16.523 1.00 0.00 H new ATOM 1784 N ILE C 593 -14.295 0.262 -12.147 1.00 0.00 N ATOM 1785 CA ILE C 593 -13.714 0.598 -10.853 1.00 0.00 C ATOM 1786 C ILE C 593 -12.195 0.713 -10.954 1.00 0.00 C ATOM 1787 O ILE C 593 -11.571 1.461 -10.203 1.00 0.00 O ATOM 1788 CB ILE C 593 -14.090 -0.466 -9.786 1.00 0.00 C ATOM 1789 CG1 ILE C 593 -15.431 -0.118 -9.115 1.00 0.00 C ATOM 1790 CG2 ILE C 593 -12.988 -0.634 -8.742 1.00 0.00 C ATOM 1791 CD1 ILE C 593 -15.349 0.990 -8.081 1.00 0.00 C ATOM 0 H ILE C 593 -14.626 -0.700 -12.223 1.00 0.00 H new ATOM 0 HA ILE C 593 -14.120 1.562 -10.547 1.00 0.00 H new ATOM 0 HB ILE C 593 -14.200 -1.420 -10.301 1.00 0.00 H new ATOM 0 HG12 ILE C 593 -16.144 0.174 -9.886 1.00 0.00 H new ATOM 0 HG13 ILE C 593 -15.827 -1.014 -8.638 1.00 0.00 H new ATOM 0 HG21 ILE C 593 -13.289 -1.387 -8.013 1.00 0.00 H new ATOM 0 HG22 ILE C 593 -12.068 -0.951 -9.232 1.00 0.00 H new ATOM 0 HG23 ILE C 593 -12.820 0.316 -8.234 1.00 0.00 H new ATOM 0 HD11 ILE C 593 -16.338 1.169 -7.660 1.00 0.00 H new ATOM 0 HD12 ILE C 593 -14.664 0.696 -7.286 1.00 0.00 H new ATOM 0 HD13 ILE C 593 -14.985 1.902 -8.554 1.00 0.00 H new ATOM 1803 N TRP C 594 -11.603 -0.025 -11.890 1.00 0.00 N ATOM 1804 CA TRP C 594 -10.160 0.007 -12.088 1.00 0.00 C ATOM 1805 C TRP C 594 -9.734 1.219 -12.897 1.00 0.00 C ATOM 1806 O TRP C 594 -8.785 1.917 -12.535 1.00 0.00 O ATOM 1807 CB TRP C 594 -9.679 -1.266 -12.780 1.00 0.00 C ATOM 1808 CG TRP C 594 -8.189 -1.330 -12.880 1.00 0.00 C ATOM 1809 CD1 TRP C 594 -7.420 -0.899 -13.920 1.00 0.00 C ATOM 1810 CD2 TRP C 594 -7.288 -1.841 -11.897 1.00 0.00 C ATOM 1811 NE1 TRP C 594 -6.091 -1.106 -13.641 1.00 0.00 N ATOM 1812 CE2 TRP C 594 -5.985 -1.689 -12.404 1.00 0.00 C ATOM 1813 CE3 TRP C 594 -7.458 -2.415 -10.636 1.00 0.00 C ATOM 1814 CZ2 TRP C 594 -4.860 -2.091 -11.689 1.00 0.00 C ATOM 1815 CZ3 TRP C 594 -6.342 -2.813 -9.928 1.00 0.00 C ATOM 1816 CH2 TRP C 594 -5.058 -2.649 -10.456 1.00 0.00 C ATOM 0 H TRP C 594 -12.102 -0.651 -12.522 1.00 0.00 H new ATOM 0 HA TRP C 594 -9.702 0.074 -11.101 1.00 0.00 H new ATOM 0 HB2 TRP C 594 -10.041 -2.135 -12.230 1.00 0.00 H new ATOM 0 HB3 TRP C 594 -10.110 -1.319 -13.780 1.00 0.00 H new ATOM 0 HD1 TRP C 594 -7.800 -0.459 -14.830 1.00 0.00 H new ATOM 0 HE1 TRP C 594 -5.311 -0.866 -14.253 1.00 0.00 H new ATOM 0 HE3 TRP C 594 -8.447 -2.546 -10.221 1.00 0.00 H new ATOM 0 HZ2 TRP C 594 -3.866 -1.967 -12.094 1.00 0.00 H new ATOM 0 HZ3 TRP C 594 -6.463 -3.258 -8.951 1.00 0.00 H new ATOM 0 HH2 TRP C 594 -4.204 -2.970 -9.878 1.00 0.00 H new ATOM 1827 N LYS C 595 -10.436 1.474 -13.990 1.00 0.00 N ATOM 1828 CA LYS C 595 -10.118 2.612 -14.834 1.00 0.00 C ATOM 1829 C LYS C 595 -10.169 3.896 -14.019 1.00 0.00 C ATOM 1830 O LYS C 595 -9.305 4.763 -14.154 1.00 0.00 O ATOM 1831 CB LYS C 595 -11.094 2.694 -16.011 1.00 0.00 C ATOM 1832 CG LYS C 595 -11.016 1.496 -16.946 1.00 0.00 C ATOM 1833 CD LYS C 595 -12.220 1.426 -17.874 1.00 0.00 C ATOM 1834 CE LYS C 595 -12.310 2.652 -18.768 1.00 0.00 C ATOM 1835 NZ LYS C 595 -13.314 2.474 -19.854 1.00 0.00 N ATOM 0 H LYS C 595 -11.224 0.912 -14.311 1.00 0.00 H new ATOM 0 HA LYS C 595 -9.110 2.483 -15.228 1.00 0.00 H new ATOM 0 HB2 LYS C 595 -12.110 2.779 -15.626 1.00 0.00 H new ATOM 0 HB3 LYS C 595 -10.891 3.602 -16.579 1.00 0.00 H new ATOM 0 HG2 LYS C 595 -10.103 1.556 -17.538 1.00 0.00 H new ATOM 0 HG3 LYS C 595 -10.955 0.580 -16.359 1.00 0.00 H new ATOM 0 HD2 LYS C 595 -12.153 0.530 -18.491 1.00 0.00 H new ATOM 0 HD3 LYS C 595 -13.131 1.339 -17.282 1.00 0.00 H new ATOM 0 HE2 LYS C 595 -12.576 3.521 -18.167 1.00 0.00 H new ATOM 0 HE3 LYS C 595 -11.333 2.854 -19.206 1.00 0.00 H new ATOM 0 HZ1 LYS C 595 -13.345 3.331 -20.442 1.00 0.00 H new ATOM 0 HZ2 LYS C 595 -13.047 1.660 -20.444 1.00 0.00 H new ATOM 0 HZ3 LYS C 595 -14.251 2.306 -19.436 1.00 0.00 H new ATOM 1849 N LYS C 596 -11.197 4.027 -13.189 1.00 0.00 N ATOM 1850 CA LYS C 596 -11.368 5.222 -12.374 1.00 0.00 C ATOM 1851 C LYS C 596 -10.274 5.370 -11.316 1.00 0.00 C ATOM 1852 O LYS C 596 -9.560 6.373 -11.302 1.00 0.00 O ATOM 1853 CB LYS C 596 -12.740 5.200 -11.694 1.00 0.00 C ATOM 1854 CG LYS C 596 -13.916 5.131 -12.670 1.00 0.00 C ATOM 1855 CD LYS C 596 -14.413 6.517 -13.079 1.00 0.00 C ATOM 1856 CE LYS C 596 -15.380 7.098 -12.058 1.00 0.00 C ATOM 1857 NZ LYS C 596 -15.744 8.507 -12.375 1.00 0.00 N ATOM 0 H LYS C 596 -11.923 3.322 -13.063 1.00 0.00 H new ATOM 0 HA LYS C 596 -11.295 6.079 -13.043 1.00 0.00 H new ATOM 0 HB2 LYS C 596 -12.788 4.343 -11.022 1.00 0.00 H new ATOM 0 HB3 LYS C 596 -12.844 6.094 -11.078 1.00 0.00 H new ATOM 0 HG2 LYS C 596 -13.615 4.578 -13.560 1.00 0.00 H new ATOM 0 HG3 LYS C 596 -14.734 4.575 -12.211 1.00 0.00 H new ATOM 0 HD2 LYS C 596 -13.562 7.188 -13.195 1.00 0.00 H new ATOM 0 HD3 LYS C 596 -14.905 6.454 -14.050 1.00 0.00 H new ATOM 0 HE2 LYS C 596 -16.283 6.488 -12.026 1.00 0.00 H new ATOM 0 HE3 LYS C 596 -14.930 7.054 -11.066 1.00 0.00 H new ATOM 0 HZ1 LYS C 596 -16.600 8.772 -11.847 1.00 0.00 H new ATOM 0 HZ2 LYS C 596 -14.962 9.137 -12.104 1.00 0.00 H new ATOM 0 HZ3 LYS C 596 -15.924 8.598 -13.395 1.00 0.00 H new ATOM 1871 N ALA C 597 -10.144 4.388 -10.415 1.00 0.00 N ATOM 1872 CA ALA C 597 -9.142 4.445 -9.352 1.00 0.00 C ATOM 1873 C ALA C 597 -7.755 4.797 -9.887 1.00 0.00 C ATOM 1874 O ALA C 597 -6.990 5.505 -9.234 1.00 0.00 O ATOM 1875 CB ALA C 597 -9.095 3.110 -8.618 1.00 0.00 C ATOM 0 H ALA C 597 -10.721 3.547 -10.404 1.00 0.00 H new ATOM 0 HA ALA C 597 -9.435 5.237 -8.663 1.00 0.00 H new ATOM 0 HB1 ALA C 597 -8.347 3.156 -7.826 1.00 0.00 H new ATOM 0 HB2 ALA C 597 -10.072 2.900 -8.182 1.00 0.00 H new ATOM 0 HB3 ALA C 597 -8.832 2.318 -9.320 1.00 0.00 H new ATOM 1881 N GLU C 598 -7.438 4.296 -11.077 1.00 0.00 N ATOM 1882 CA GLU C 598 -6.144 4.552 -11.699 1.00 0.00 C ATOM 1883 C GLU C 598 -6.006 6.033 -12.063 1.00 0.00 C ATOM 1884 O GLU C 598 -4.915 6.598 -11.982 1.00 0.00 O ATOM 1885 CB GLU C 598 -5.970 3.662 -12.940 1.00 0.00 C ATOM 1886 CG GLU C 598 -5.462 2.262 -12.619 1.00 0.00 C ATOM 1887 CD GLU C 598 -3.971 2.227 -12.337 1.00 0.00 C ATOM 1888 OE1 GLU C 598 -3.269 3.182 -12.731 1.00 0.00 O ATOM 1889 OE2 GLU C 598 -3.506 1.243 -11.723 1.00 0.00 O ATOM 0 H GLU C 598 -8.062 3.709 -11.631 1.00 0.00 H new ATOM 0 HA GLU C 598 -5.356 4.307 -10.987 1.00 0.00 H new ATOM 0 HB2 GLU C 598 -6.926 3.583 -13.457 1.00 0.00 H new ATOM 0 HB3 GLU C 598 -5.274 4.143 -13.628 1.00 0.00 H new ATOM 0 HG2 GLU C 598 -6.000 1.875 -11.754 1.00 0.00 H new ATOM 0 HG3 GLU C 598 -5.685 1.599 -13.455 1.00 0.00 H new ATOM 1896 N GLU C 599 -7.114 6.657 -12.449 1.00 0.00 N ATOM 1897 CA GLU C 599 -7.106 8.074 -12.809 1.00 0.00 C ATOM 1898 C GLU C 599 -6.814 8.938 -11.582 1.00 0.00 C ATOM 1899 O GLU C 599 -5.994 9.853 -11.640 1.00 0.00 O ATOM 1900 CB GLU C 599 -8.451 8.471 -13.425 1.00 0.00 C ATOM 1901 CG GLU C 599 -8.412 9.797 -14.168 1.00 0.00 C ATOM 1902 CD GLU C 599 -7.649 9.710 -15.475 1.00 0.00 C ATOM 1903 OE1 GLU C 599 -8.035 8.890 -16.334 1.00 0.00 O ATOM 1904 OE2 GLU C 599 -6.664 10.461 -15.640 1.00 0.00 O ATOM 0 H GLU C 599 -8.027 6.208 -12.521 1.00 0.00 H new ATOM 0 HA GLU C 599 -6.318 8.239 -13.544 1.00 0.00 H new ATOM 0 HB2 GLU C 599 -8.772 7.688 -14.112 1.00 0.00 H new ATOM 0 HB3 GLU C 599 -9.200 8.528 -12.635 1.00 0.00 H new ATOM 0 HG2 GLU C 599 -9.431 10.128 -14.368 1.00 0.00 H new ATOM 0 HG3 GLU C 599 -7.951 10.552 -13.532 1.00 0.00 H new ATOM 1911 N ALA C 600 -7.493 8.648 -10.476 1.00 0.00 N ATOM 1912 CA ALA C 600 -7.312 9.406 -9.238 1.00 0.00 C ATOM 1913 C ALA C 600 -5.839 9.560 -8.870 1.00 0.00 C ATOM 1914 O ALA C 600 -5.406 10.628 -8.440 1.00 0.00 O ATOM 1915 CB ALA C 600 -8.065 8.729 -8.103 1.00 0.00 C ATOM 0 H ALA C 600 -8.175 7.893 -10.410 1.00 0.00 H new ATOM 0 HA ALA C 600 -7.714 10.406 -9.402 1.00 0.00 H new ATOM 0 HB1 ALA C 600 -7.926 9.298 -7.184 1.00 0.00 H new ATOM 0 HB2 ALA C 600 -9.127 8.685 -8.346 1.00 0.00 H new ATOM 0 HB3 ALA C 600 -7.682 7.718 -7.965 1.00 0.00 H new ATOM 1921 N VAL C 601 -5.082 8.480 -9.016 1.00 0.00 N ATOM 1922 CA VAL C 601 -3.662 8.492 -8.670 1.00 0.00 C ATOM 1923 C VAL C 601 -2.819 9.244 -9.693 1.00 0.00 C ATOM 1924 O VAL C 601 -1.885 9.952 -9.330 1.00 0.00 O ATOM 1925 CB VAL C 601 -3.104 7.066 -8.504 1.00 0.00 C ATOM 1926 CG1 VAL C 601 -1.692 7.106 -7.939 1.00 0.00 C ATOM 1927 CG2 VAL C 601 -4.021 6.249 -7.607 1.00 0.00 C ATOM 0 H VAL C 601 -5.424 7.587 -9.370 1.00 0.00 H new ATOM 0 HA VAL C 601 -3.595 9.017 -7.717 1.00 0.00 H new ATOM 0 HB VAL C 601 -3.061 6.590 -9.484 1.00 0.00 H new ATOM 0 HG11 VAL C 601 -1.315 6.089 -7.829 1.00 0.00 H new ATOM 0 HG12 VAL C 601 -1.044 7.662 -8.617 1.00 0.00 H new ATOM 0 HG13 VAL C 601 -1.703 7.596 -6.965 1.00 0.00 H new ATOM 0 HG21 VAL C 601 -3.618 5.242 -7.495 1.00 0.00 H new ATOM 0 HG22 VAL C 601 -4.089 6.723 -6.628 1.00 0.00 H new ATOM 0 HG23 VAL C 601 -5.014 6.195 -8.054 1.00 0.00 H new ATOM 1937 N ASN C 602 -3.162 9.106 -10.966 1.00 0.00 N ATOM 1938 CA ASN C 602 -2.430 9.796 -12.022 1.00 0.00 C ATOM 1939 C ASN C 602 -2.582 11.305 -11.855 1.00 0.00 C ATOM 1940 O ASN C 602 -1.632 12.062 -12.054 1.00 0.00 O ATOM 1941 CB ASN C 602 -2.940 9.359 -13.401 1.00 0.00 C ATOM 1942 CG ASN C 602 -2.349 8.034 -13.847 1.00 0.00 C ATOM 1943 OD1 ASN C 602 -1.680 7.955 -14.878 1.00 0.00 O ATOM 1944 ND2 ASN C 602 -2.593 6.984 -13.072 1.00 0.00 N ATOM 0 H ASN C 602 -3.936 8.528 -11.292 1.00 0.00 H new ATOM 0 HA ASN C 602 -1.374 9.535 -11.948 1.00 0.00 H new ATOM 0 HB2 ASN C 602 -4.027 9.277 -13.374 1.00 0.00 H new ATOM 0 HB3 ASN C 602 -2.696 10.127 -14.135 1.00 0.00 H new ATOM 0 HD21 ASN C 602 -2.221 6.068 -13.322 1.00 0.00 H new ATOM 0 HD22 ASN C 602 -3.152 7.093 -12.226 1.00 0.00 H new ATOM 1951 N GLU C 603 -3.781 11.729 -11.485 1.00 0.00 N ATOM 1952 CA GLU C 603 -4.060 13.144 -11.285 1.00 0.00 C ATOM 1953 C GLU C 603 -3.322 13.684 -10.063 1.00 0.00 C ATOM 1954 O GLU C 603 -2.568 14.651 -10.174 1.00 0.00 O ATOM 1955 CB GLU C 603 -5.569 13.367 -11.131 1.00 0.00 C ATOM 1956 CG GLU C 603 -5.993 14.813 -11.331 1.00 0.00 C ATOM 1957 CD GLU C 603 -7.487 15.011 -11.167 1.00 0.00 C ATOM 1958 OE1 GLU C 603 -8.025 14.624 -10.108 1.00 0.00 O ATOM 1959 OE2 GLU C 603 -8.120 15.553 -12.098 1.00 0.00 O ATOM 0 H GLU C 603 -4.577 11.114 -11.317 1.00 0.00 H new ATOM 0 HA GLU C 603 -3.705 13.686 -12.161 1.00 0.00 H new ATOM 0 HB2 GLU C 603 -6.096 12.740 -11.850 1.00 0.00 H new ATOM 0 HB3 GLU C 603 -5.877 13.041 -10.138 1.00 0.00 H new ATOM 0 HG2 GLU C 603 -5.466 15.444 -10.616 1.00 0.00 H new ATOM 0 HG3 GLU C 603 -5.694 15.141 -12.327 1.00 0.00 H new ATOM 1966 N VAL C 604 -3.538 13.080 -8.895 1.00 0.00 N ATOM 1967 CA VAL C 604 -2.886 13.541 -7.676 1.00 0.00 C ATOM 1968 C VAL C 604 -1.362 13.467 -7.775 1.00 0.00 C ATOM 1969 O VAL C 604 -0.650 14.228 -7.118 1.00 0.00 O ATOM 1970 CB VAL C 604 -3.383 12.776 -6.429 1.00 0.00 C ATOM 1971 CG1 VAL C 604 -2.569 11.513 -6.175 1.00 0.00 C ATOM 1972 CG2 VAL C 604 -3.353 13.693 -5.216 1.00 0.00 C ATOM 0 H VAL C 604 -4.155 12.277 -8.770 1.00 0.00 H new ATOM 0 HA VAL C 604 -3.163 14.589 -7.561 1.00 0.00 H new ATOM 0 HB VAL C 604 -4.410 12.460 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL C 604 -2.952 11.006 -5.289 1.00 0.00 H new ATOM 0 HG12 VAL C 604 -2.649 10.850 -7.036 1.00 0.00 H new ATOM 0 HG13 VAL C 604 -1.524 11.779 -6.017 1.00 0.00 H new ATOM 0 HG21 VAL C 604 -3.704 13.149 -4.340 1.00 0.00 H new ATOM 0 HG22 VAL C 604 -2.333 14.037 -5.045 1.00 0.00 H new ATOM 0 HG23 VAL C 604 -4.000 14.552 -5.393 1.00 0.00 H new ATOM 1982 N LYS C 605 -0.868 12.551 -8.607 1.00 0.00 N ATOM 1983 CA LYS C 605 0.573 12.385 -8.798 1.00 0.00 C ATOM 1984 C LYS C 605 1.122 13.517 -9.656 1.00 0.00 C ATOM 1985 O LYS C 605 2.120 14.145 -9.305 1.00 0.00 O ATOM 1986 CB LYS C 605 0.887 11.033 -9.450 1.00 0.00 C ATOM 1987 CG LYS C 605 1.007 9.880 -8.458 1.00 0.00 C ATOM 1988 CD LYS C 605 1.687 8.663 -9.075 1.00 0.00 C ATOM 1989 CE LYS C 605 1.108 8.308 -10.443 1.00 0.00 C ATOM 1990 NZ LYS C 605 1.755 9.077 -11.542 1.00 0.00 N ATOM 0 H LYS C 605 -1.442 11.914 -9.159 1.00 0.00 H new ATOM 0 HA LYS C 605 1.052 12.413 -7.819 1.00 0.00 H new ATOM 0 HB2 LYS C 605 0.104 10.798 -10.171 1.00 0.00 H new ATOM 0 HB3 LYS C 605 1.820 11.118 -10.008 1.00 0.00 H new ATOM 0 HG2 LYS C 605 1.574 10.209 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS C 605 0.014 9.600 -8.105 1.00 0.00 H new ATOM 0 HD2 LYS C 605 2.755 8.857 -9.174 1.00 0.00 H new ATOM 0 HD3 LYS C 605 1.579 7.810 -8.405 1.00 0.00 H new ATOM 0 HE2 LYS C 605 1.235 7.241 -10.624 1.00 0.00 H new ATOM 0 HE3 LYS C 605 0.036 8.506 -10.445 1.00 0.00 H new ATOM 0 HZ1 LYS C 605 2.005 8.431 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS C 605 1.096 9.801 -11.893 1.00 0.00 H new ATOM 0 HZ3 LYS C 605 2.616 9.537 -11.184 1.00 0.00 H new ATOM 2004 N ARG C 606 0.451 13.792 -10.766 1.00 0.00 N ATOM 2005 CA ARG C 606 0.869 14.875 -11.643 1.00 0.00 C ATOM 2006 C ARG C 606 0.782 16.204 -10.895 1.00 0.00 C ATOM 2007 O ARG C 606 1.459 17.172 -11.243 1.00 0.00 O ATOM 2008 CB ARG C 606 -0.002 14.915 -12.902 1.00 0.00 C ATOM 2009 CG ARG C 606 0.635 15.678 -14.055 1.00 0.00 C ATOM 2010 CD ARG C 606 -0.203 15.598 -15.326 1.00 0.00 C ATOM 2011 NE ARG C 606 -1.305 16.561 -15.321 1.00 0.00 N ATOM 2012 CZ ARG C 606 -2.520 16.314 -14.827 1.00 0.00 C ATOM 2013 NH1 ARG C 606 -2.804 15.142 -14.274 1.00 0.00 N ATOM 2014 NH2 ARG C 606 -3.455 17.253 -14.883 1.00 0.00 N ATOM 0 H ARG C 606 -0.377 13.285 -11.078 1.00 0.00 H new ATOM 0 HA ARG C 606 1.901 14.703 -11.949 1.00 0.00 H new ATOM 0 HB2 ARG C 606 -0.211 13.894 -13.223 1.00 0.00 H new ATOM 0 HB3 ARG C 606 -0.960 15.374 -12.658 1.00 0.00 H new ATOM 0 HG2 ARG C 606 0.764 16.722 -13.771 1.00 0.00 H new ATOM 0 HG3 ARG C 606 1.629 15.276 -14.250 1.00 0.00 H new ATOM 0 HD2 ARG C 606 0.434 15.781 -16.192 1.00 0.00 H new ATOM 0 HD3 ARG C 606 -0.604 14.590 -15.433 1.00 0.00 H new ATOM 0 HE ARG C 606 -1.133 17.483 -15.722 1.00 0.00 H new ATOM 0 HH11 ARG C 606 -2.089 14.416 -14.222 1.00 0.00 H new ATOM 0 HH12 ARG C 606 -3.737 14.967 -13.900 1.00 0.00 H new ATOM 0 HH21 ARG C 606 -3.244 18.159 -15.302 1.00 0.00 H new ATOM 0 HH22 ARG C 606 -4.385 17.070 -14.507 1.00 0.00 H new ATOM 2028 N GLN C 607 -0.067 16.241 -9.868 1.00 0.00 N ATOM 2029 CA GLN C 607 -0.257 17.445 -9.064 1.00 0.00 C ATOM 2030 C GLN C 607 0.862 17.643 -8.032 1.00 0.00 C ATOM 2031 O GLN C 607 1.538 18.672 -8.044 1.00 0.00 O ATOM 2032 CB GLN C 607 -1.616 17.395 -8.356 1.00 0.00 C ATOM 2033 CG GLN C 607 -2.786 17.757 -9.258 1.00 0.00 C ATOM 2034 CD GLN C 607 -4.106 17.796 -8.513 1.00 0.00 C ATOM 2035 OE1 GLN C 607 -4.532 18.847 -8.036 1.00 0.00 O ATOM 2036 NE2 GLN C 607 -4.760 16.646 -8.409 1.00 0.00 N ATOM 0 H GLN C 607 -0.635 15.447 -9.574 1.00 0.00 H new ATOM 0 HA GLN C 607 -0.225 18.295 -9.745 1.00 0.00 H new ATOM 0 HB2 GLN C 607 -1.772 16.393 -7.957 1.00 0.00 H new ATOM 0 HB3 GLN C 607 -1.599 18.077 -7.506 1.00 0.00 H new ATOM 0 HG2 GLN C 607 -2.601 18.730 -9.714 1.00 0.00 H new ATOM 0 HG3 GLN C 607 -2.852 17.032 -10.069 1.00 0.00 H new ATOM 0 HE21 GLN C 607 -4.369 15.798 -8.820 1.00 0.00 H new ATOM 0 HE22 GLN C 607 -5.653 16.610 -7.918 1.00 0.00 H new ATOM 2045 N ALA C 608 1.057 16.672 -7.126 1.00 0.00 N ATOM 2046 CA ALA C 608 2.090 16.768 -6.089 1.00 0.00 C ATOM 2047 C ALA C 608 3.434 17.239 -6.641 1.00 0.00 C ATOM 2048 O ALA C 608 4.210 17.889 -5.942 1.00 0.00 O ATOM 2049 CB ALA C 608 2.255 15.421 -5.400 1.00 0.00 C ATOM 0 H ALA C 608 0.511 15.811 -7.093 1.00 0.00 H new ATOM 0 HA ALA C 608 1.758 17.517 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA C 608 3.023 15.498 -4.631 1.00 0.00 H new ATOM 0 HB2 ALA C 608 1.310 15.129 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA C 608 2.550 14.671 -6.134 1.00 0.00 H new ATOM 2055 N MET C 609 3.713 16.894 -7.888 1.00 0.00 N ATOM 2056 CA MET C 609 4.980 17.284 -8.509 1.00 0.00 C ATOM 2057 C MET C 609 5.014 18.781 -8.832 1.00 0.00 C ATOM 2058 O MET C 609 6.072 19.406 -8.756 1.00 0.00 O ATOM 2059 CB MET C 609 5.251 16.461 -9.773 1.00 0.00 C ATOM 2060 CG MET C 609 4.130 16.518 -10.799 1.00 0.00 C ATOM 2061 SD MET C 609 4.647 15.953 -12.431 1.00 0.00 S ATOM 2062 CE MET C 609 4.857 14.199 -12.133 1.00 0.00 C ATOM 0 H MET C 609 3.092 16.352 -8.488 1.00 0.00 H new ATOM 0 HA MET C 609 5.769 17.078 -7.785 1.00 0.00 H new ATOM 0 HB2 MET C 609 6.172 16.817 -10.236 1.00 0.00 H new ATOM 0 HB3 MET C 609 5.418 15.422 -9.489 1.00 0.00 H new ATOM 0 HG2 MET C 609 3.297 15.905 -10.455 1.00 0.00 H new ATOM 0 HG3 MET C 609 3.763 17.542 -10.873 1.00 0.00 H new ATOM 0 HE1 MET C 609 4.877 13.668 -13.085 1.00 0.00 H new ATOM 0 HE2 MET C 609 5.794 14.030 -11.603 1.00 0.00 H new ATOM 0 HE3 MET C 609 4.027 13.831 -11.530 1.00 0.00 H new ATOM 2072 N THR C 610 3.867 19.364 -9.177 1.00 0.00 N ATOM 2073 CA THR C 610 3.807 20.796 -9.487 1.00 0.00 C ATOM 2074 C THR C 610 4.120 21.614 -8.238 1.00 0.00 C ATOM 2075 O THR C 610 4.941 22.530 -8.274 1.00 0.00 O ATOM 2076 CB THR C 610 2.419 21.173 -10.035 1.00 0.00 C ATOM 2077 OG1 THR C 610 1.574 20.040 -10.082 1.00 0.00 O ATOM 2078 CG2 THR C 610 2.459 21.773 -11.425 1.00 0.00 C ATOM 0 H THR C 610 2.975 18.875 -9.249 1.00 0.00 H new ATOM 0 HA THR C 610 4.551 21.018 -10.252 1.00 0.00 H new ATOM 0 HB THR C 610 2.036 21.926 -9.346 1.00 0.00 H new ATOM 0 HG1 THR C 610 1.333 19.773 -9.170 1.00 0.00 H new ATOM 0 HG21 THR C 610 1.446 22.014 -11.747 1.00 0.00 H new ATOM 0 HG22 THR C 610 3.061 22.681 -11.412 1.00 0.00 H new ATOM 0 HG23 THR C 610 2.899 21.056 -12.118 1.00 0.00 H new ATOM 2086 N GLU C 611 3.471 21.275 -7.137 1.00 0.00 N ATOM 2087 CA GLU C 611 3.708 21.992 -5.886 1.00 0.00 C ATOM 2088 C GLU C 611 5.179 21.873 -5.474 1.00 0.00 C ATOM 2089 O GLU C 611 5.687 22.675 -4.691 1.00 0.00 O ATOM 2090 CB GLU C 611 2.781 21.505 -4.765 1.00 0.00 C ATOM 2091 CG GLU C 611 2.758 19.999 -4.573 1.00 0.00 C ATOM 2092 CD GLU C 611 1.587 19.543 -3.725 1.00 0.00 C ATOM 2093 OE1 GLU C 611 1.737 19.477 -2.488 1.00 0.00 O ATOM 2094 OE2 GLU C 611 0.519 19.255 -4.302 1.00 0.00 O ATOM 0 H GLU C 611 2.786 20.521 -7.078 1.00 0.00 H new ATOM 0 HA GLU C 611 3.478 23.044 -6.056 1.00 0.00 H new ATOM 0 HB2 GLU C 611 3.087 21.973 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU C 611 1.768 21.847 -4.975 1.00 0.00 H new ATOM 0 HG2 GLU C 611 2.709 19.512 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU C 611 3.689 19.681 -4.104 1.00 0.00 H new ATOM 2101 N LEU C 612 5.854 20.856 -6.020 1.00 0.00 N ATOM 2102 CA LEU C 612 7.267 20.604 -5.734 1.00 0.00 C ATOM 2103 C LEU C 612 8.168 21.359 -6.710 1.00 0.00 C ATOM 2104 O LEU C 612 9.164 21.960 -6.310 1.00 0.00 O ATOM 2105 CB LEU C 612 7.559 19.095 -5.790 1.00 0.00 C ATOM 2106 CG LEU C 612 7.544 18.387 -4.425 1.00 0.00 C ATOM 2107 CD1 LEU C 612 7.113 16.934 -4.566 1.00 0.00 C ATOM 2108 CD2 LEU C 612 8.910 18.482 -3.753 1.00 0.00 C ATOM 0 H LEU C 612 5.437 20.189 -6.669 1.00 0.00 H new ATOM 0 HA LEU C 612 7.482 20.967 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU C 612 6.823 18.620 -6.439 1.00 0.00 H new ATOM 0 HB3 LEU C 612 8.535 18.944 -6.252 1.00 0.00 H new ATOM 0 HG LEU C 612 6.815 18.893 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU C 612 7.112 16.458 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU C 612 6.110 16.892 -4.991 1.00 0.00 H new ATOM 0 HD13 LEU C 612 7.808 16.410 -5.222 1.00 0.00 H new ATOM 0 HD21 LEU C 612 8.877 17.975 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU C 612 9.661 18.009 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU C 612 9.170 19.530 -3.603 1.00 0.00 H new ATOM 2120 N GLN C 613 7.812 21.321 -7.991 1.00 0.00 N ATOM 2121 CA GLN C 613 8.593 21.998 -9.023 1.00 0.00 C ATOM 2122 C GLN C 613 8.745 23.489 -8.714 1.00 0.00 C ATOM 2123 O GLN C 613 9.641 24.149 -9.241 1.00 0.00 O ATOM 2124 CB GLN C 613 7.940 21.806 -10.397 1.00 0.00 C ATOM 2125 CG GLN C 613 8.242 20.456 -11.031 1.00 0.00 C ATOM 2126 CD GLN C 613 7.801 20.379 -12.479 1.00 0.00 C ATOM 2127 OE1 GLN C 613 8.579 20.657 -13.393 1.00 0.00 O ATOM 2128 NE2 GLN C 613 6.547 20.002 -12.697 1.00 0.00 N ATOM 0 H GLN C 613 6.989 20.829 -8.339 1.00 0.00 H new ATOM 0 HA GLN C 613 9.588 21.553 -9.037 1.00 0.00 H new ATOM 0 HB2 GLN C 613 6.860 21.917 -10.296 1.00 0.00 H new ATOM 0 HB3 GLN C 613 8.281 22.597 -11.066 1.00 0.00 H new ATOM 0 HG2 GLN C 613 9.313 20.262 -10.971 1.00 0.00 H new ATOM 0 HG3 GLN C 613 7.743 19.672 -10.461 1.00 0.00 H new ATOM 0 HE21 GLN C 613 5.937 19.781 -11.910 1.00 0.00 H new ATOM 0 HE22 GLN C 613 6.194 19.933 -13.651 1.00 0.00 H new