USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 15 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot -50:sc= 0.905 USER MOD Single : A 11 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.029) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 146:sc= -0.292 (180deg=-1.45!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-4.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00974) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -4.44! C(o=-4.4!,f=-8.1!) USER MOD Single : A 59 GLN :FLIP amide:sc= -1.97 F(o=-3!,f=-2) USER MOD Single : A 60 GLN : amide:sc= -1.4 K(o=-1.4,f=-5.9!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.093 X(o=-0.093,f=0) USER MOD Single : A 64 GLN :FLIP amide:sc= -1.43 F(o=-3.6!,f=-1.4) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -1.481 -15.869 -1.742 1.00 0.00 N ATOM 143 CA HIS A 11 -0.935 -14.515 -1.681 1.00 0.00 C ATOM 144 C HIS A 11 0.440 -14.489 -1.018 1.00 0.00 C ATOM 145 O HIS A 11 1.068 -15.528 -0.814 1.00 0.00 O ATOM 146 CB HIS A 11 -1.893 -13.590 -0.928 1.00 0.00 C ATOM 147 CG HIS A 11 -2.322 -12.399 -1.726 1.00 0.00 C ATOM 148 ND1 HIS A 11 -3.632 -12.220 -2.100 1.00 0.00 N ATOM 149 CD2 HIS A 11 -1.583 -11.365 -2.195 1.00 0.00 C ATOM 150 CE1 HIS A 11 -3.661 -11.089 -2.781 1.00 0.00 C ATOM 151 NE2 HIS A 11 -2.443 -10.534 -2.866 1.00 0.00 N ATOM 0 HA HIS A 11 -0.820 -14.162 -2.706 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.776 -14.157 -0.632 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.411 -13.249 -0.011 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.520 -11.222 -2.065 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -4.554 -10.664 -3.215 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -2.203 -9.662 -3.338 1.00 0.00 H new ATOM 159 N ILE A 12 0.899 -13.285 -0.689 1.00 0.00 N ATOM 160 CA ILE A 12 2.198 -13.094 -0.052 1.00 0.00 C ATOM 161 C ILE A 12 2.100 -13.273 1.459 1.00 0.00 C ATOM 162 O ILE A 12 1.047 -13.036 2.053 1.00 0.00 O ATOM 163 CB ILE A 12 2.754 -11.685 -0.347 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.102 -11.476 0.348 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.760 -10.624 0.101 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.288 -11.801 -0.530 1.00 0.00 C ATOM 0 H ILE A 12 0.385 -12.420 -0.855 1.00 0.00 H new ATOM 0 HA ILE A 12 2.871 -13.847 -0.463 1.00 0.00 H new ATOM 0 HB ILE A 12 2.906 -11.594 -1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.176 -10.439 0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.141 -12.097 1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.164 -9.634 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.820 -10.756 -0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.583 -10.720 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.210 -11.630 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.238 -12.845 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.273 -11.162 -1.413 1.00 0.00 H new ATOM 178 N SER A 13 3.208 -13.670 2.079 1.00 0.00 N ATOM 179 CA SER A 13 3.246 -13.851 3.523 1.00 0.00 C ATOM 180 C SER A 13 2.833 -12.555 4.211 1.00 0.00 C ATOM 181 O SER A 13 2.023 -12.560 5.137 1.00 0.00 O ATOM 182 CB SER A 13 4.648 -14.269 3.974 1.00 0.00 C ATOM 183 OG SER A 13 4.586 -15.128 5.100 1.00 0.00 O ATOM 0 H SER A 13 4.088 -13.871 1.604 1.00 0.00 H new ATOM 0 HA SER A 13 2.549 -14.642 3.800 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.162 -14.773 3.156 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.234 -13.383 4.220 1.00 0.00 H new ATOM 0 HG SER A 13 5.494 -15.382 5.368 1.00 0.00 H new ATOM 189 N LYS A 14 3.386 -11.442 3.730 1.00 0.00 N ATOM 190 CA LYS A 14 3.064 -10.127 4.278 1.00 0.00 C ATOM 191 C LYS A 14 3.494 -9.019 3.317 1.00 0.00 C ATOM 192 O LYS A 14 4.522 -9.126 2.652 1.00 0.00 O ATOM 193 CB LYS A 14 3.738 -9.934 5.641 1.00 0.00 C ATOM 194 CG LYS A 14 5.257 -9.907 5.577 1.00 0.00 C ATOM 195 CD LYS A 14 5.878 -10.482 6.841 1.00 0.00 C ATOM 196 CE LYS A 14 6.823 -9.490 7.498 1.00 0.00 C ATOM 197 NZ LYS A 14 8.146 -10.100 7.809 1.00 0.00 N ATOM 0 H LYS A 14 4.058 -11.426 2.963 1.00 0.00 H new ATOM 0 HA LYS A 14 1.983 -10.070 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.386 -9.001 6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.426 -10.738 6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.596 -10.477 4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.598 -8.881 5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.090 -10.755 7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.420 -11.396 6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.965 -8.634 6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.372 -9.114 8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.893 -9.385 7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.145 -10.451 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.325 -10.891 7.158 1.00 0.00 H new ATOM 211 N TYR A 15 2.700 -7.953 3.256 1.00 0.00 N ATOM 212 CA TYR A 15 2.993 -6.818 2.384 1.00 0.00 C ATOM 213 C TYR A 15 3.532 -5.646 3.196 1.00 0.00 C ATOM 214 O TYR A 15 3.273 -5.542 4.394 1.00 0.00 O ATOM 215 CB TYR A 15 1.730 -6.378 1.637 1.00 0.00 C ATOM 216 CG TYR A 15 1.836 -6.477 0.134 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.687 -5.644 -0.582 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.080 -7.404 -0.570 1.00 0.00 C ATOM 219 CE1 TYR A 15 2.781 -5.732 -1.958 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.167 -7.499 -1.946 1.00 0.00 C ATOM 221 CZ TYR A 15 2.019 -6.661 -2.635 1.00 0.00 C ATOM 222 OH TYR A 15 2.108 -6.754 -4.004 1.00 0.00 O ATOM 0 H TYR A 15 1.845 -7.851 3.803 1.00 0.00 H new ATOM 0 HA TYR A 15 3.747 -7.132 1.663 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.891 -6.988 1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.502 -5.347 1.907 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.285 -4.916 -0.054 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.413 -8.062 -0.033 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.447 -5.077 -2.500 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.571 -8.225 -2.479 1.00 0.00 H new ATOM 0 HH TYR A 15 1.507 -7.459 -4.324 1.00 0.00 H new ATOM 232 N ILE A 16 4.270 -4.760 2.539 1.00 0.00 N ATOM 233 CA ILE A 16 4.823 -3.594 3.211 1.00 0.00 C ATOM 234 C ILE A 16 4.339 -2.314 2.577 1.00 0.00 C ATOM 235 O ILE A 16 4.146 -2.233 1.363 1.00 0.00 O ATOM 236 CB ILE A 16 6.372 -3.560 3.202 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.902 -3.507 4.638 1.00 0.00 C ATOM 238 CG2 ILE A 16 6.895 -2.352 2.404 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.497 -2.253 5.390 1.00 0.00 C ATOM 0 H ILE A 16 4.498 -4.827 1.547 1.00 0.00 H new ATOM 0 HA ILE A 16 4.476 -3.674 4.241 1.00 0.00 H new ATOM 0 HB ILE A 16 6.730 -4.469 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.540 -4.379 5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.990 -3.573 4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.985 -2.353 2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.542 -2.415 1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.529 -1.431 2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.908 -2.285 6.399 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.882 -1.376 4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.410 -2.196 5.443 1.00 0.00 H new ATOM 251 N LEU A 17 4.214 -1.298 3.402 1.00 0.00 N ATOM 252 CA LEU A 17 3.839 0.000 2.923 1.00 0.00 C ATOM 253 C LEU A 17 4.766 1.029 3.531 1.00 0.00 C ATOM 254 O LEU A 17 4.697 1.326 4.724 1.00 0.00 O ATOM 255 CB LEU A 17 2.388 0.311 3.269 1.00 0.00 C ATOM 256 CG LEU A 17 1.541 0.782 2.087 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.307 -0.092 1.930 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.145 2.240 2.262 1.00 0.00 C ATOM 0 H LEU A 17 4.368 -1.353 4.409 1.00 0.00 H new ATOM 0 HA LEU A 17 3.927 0.024 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.930 -0.582 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.369 1.079 4.042 1.00 0.00 H new ATOM 0 HG LEU A 17 2.139 0.695 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.283 0.260 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.612 -1.124 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.294 -0.039 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.542 2.558 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.566 2.352 3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.042 2.856 2.322 1.00 0.00 H new ATOM 270 N ARG A 18 5.615 1.587 2.690 1.00 0.00 N ATOM 271 CA ARG A 18 6.547 2.607 3.114 1.00 0.00 C ATOM 272 C ARG A 18 6.225 3.852 2.340 1.00 0.00 C ATOM 273 O ARG A 18 6.104 3.800 1.121 1.00 0.00 O ATOM 274 CB ARG A 18 7.993 2.175 2.857 1.00 0.00 C ATOM 275 CG ARG A 18 8.383 0.889 3.569 1.00 0.00 C ATOM 276 CD ARG A 18 9.299 0.034 2.708 1.00 0.00 C ATOM 277 NE ARG A 18 10.247 -0.735 3.510 1.00 0.00 N ATOM 278 CZ ARG A 18 11.519 -0.923 3.172 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.997 -0.398 2.052 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.315 -1.638 3.954 1.00 0.00 N ATOM 0 H ARG A 18 5.676 1.346 1.701 1.00 0.00 H new ATOM 0 HA ARG A 18 6.454 2.781 4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.139 2.045 1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.663 2.974 3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.882 1.128 4.508 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.485 0.324 3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.698 -0.647 2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.846 0.674 2.015 1.00 0.00 H new ATOM 0 HE ARG A 18 9.914 -1.152 4.379 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.388 0.152 1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.973 -0.545 1.796 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.952 -2.045 4.816 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.291 -1.782 3.694 1.00 0.00 H new ATOM 294 N TRP A 19 6.038 4.967 3.017 1.00 0.00 N ATOM 295 CA TRP A 19 5.672 6.155 2.277 1.00 0.00 C ATOM 296 C TRP A 19 5.902 7.466 3.015 1.00 0.00 C ATOM 297 O TRP A 19 5.889 7.541 4.244 1.00 0.00 O ATOM 298 CB TRP A 19 4.214 6.018 1.832 1.00 0.00 C ATOM 299 CG TRP A 19 3.211 6.513 2.817 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.622 7.733 2.811 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.665 5.799 3.929 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.741 7.838 3.861 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.750 6.660 4.563 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.861 4.519 4.454 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.032 6.281 5.694 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.148 4.144 5.576 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.243 5.022 6.186 1.00 0.00 C ATOM 0 H TRP A 19 6.128 5.075 4.027 1.00 0.00 H new ATOM 0 HA TRP A 19 6.340 6.215 1.418 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.082 6.561 0.896 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.010 4.968 1.623 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.816 8.510 2.087 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.174 8.657 4.082 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.557 3.835 3.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.334 6.956 6.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.291 3.157 5.990 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.701 4.699 7.062 1.00 0.00 H new ATOM 318 N ARG A 20 6.100 8.495 2.203 1.00 0.00 N ATOM 319 CA ARG A 20 6.332 9.860 2.648 1.00 0.00 C ATOM 320 C ARG A 20 5.825 10.803 1.562 1.00 0.00 C ATOM 321 O ARG A 20 5.590 10.366 0.436 1.00 0.00 O ATOM 322 CB ARG A 20 7.825 10.113 2.913 1.00 0.00 C ATOM 323 CG ARG A 20 8.764 9.132 2.233 1.00 0.00 C ATOM 324 CD ARG A 20 8.490 9.024 0.746 1.00 0.00 C ATOM 325 NE ARG A 20 9.588 9.555 -0.060 1.00 0.00 N ATOM 326 CZ ARG A 20 9.814 10.854 -0.239 1.00 0.00 C ATOM 327 NH1 ARG A 20 9.022 11.754 0.327 1.00 0.00 N ATOM 328 NH2 ARG A 20 10.833 11.253 -0.986 1.00 0.00 N ATOM 0 H ARG A 20 6.104 8.399 1.188 1.00 0.00 H new ATOM 0 HA ARG A 20 5.801 10.032 3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.073 11.122 2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.001 10.078 3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.795 9.449 2.390 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.658 8.150 2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.322 7.979 0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.573 9.563 0.508 1.00 0.00 H new ATOM 0 HE ARG A 20 10.217 8.891 -0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.236 11.452 0.902 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.199 12.749 0.187 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.445 10.564 -1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.006 12.249 -1.123 1.00 0.00 H new ATOM 342 N PRO A 21 5.629 12.096 1.860 1.00 0.00 N ATOM 343 CA PRO A 21 5.129 13.046 0.863 1.00 0.00 C ATOM 344 C PRO A 21 6.006 13.102 -0.385 1.00 0.00 C ATOM 345 O PRO A 21 7.138 13.585 -0.343 1.00 0.00 O ATOM 346 CB PRO A 21 5.146 14.382 1.593 1.00 0.00 C ATOM 347 CG PRO A 21 5.127 14.037 3.038 1.00 0.00 C ATOM 348 CD PRO A 21 5.856 12.731 3.168 1.00 0.00 C ATOM 0 HA PRO A 21 4.142 12.763 0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.035 14.959 1.338 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.283 14.990 1.322 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.612 14.814 3.630 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.104 13.949 3.404 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.918 12.879 3.366 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.460 12.127 3.984 1.00 0.00 H new ATOM 356 N LYS A 22 5.454 12.594 -1.492 1.00 0.00 N ATOM 357 CA LYS A 22 6.130 12.557 -2.788 1.00 0.00 C ATOM 358 C LYS A 22 7.099 13.726 -2.973 1.00 0.00 C ATOM 359 O LYS A 22 8.237 13.538 -3.404 1.00 0.00 O ATOM 360 CB LYS A 22 5.083 12.581 -3.892 1.00 0.00 C ATOM 361 CG LYS A 22 5.662 12.684 -5.296 1.00 0.00 C ATOM 362 CD LYS A 22 6.852 11.755 -5.502 1.00 0.00 C ATOM 363 CE LYS A 22 7.763 12.254 -6.613 1.00 0.00 C ATOM 364 NZ LYS A 22 9.181 11.857 -6.393 1.00 0.00 N ATOM 0 H LYS A 22 4.516 12.194 -1.511 1.00 0.00 H new ATOM 0 HA LYS A 22 6.718 11.640 -2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.479 11.676 -3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.413 13.424 -3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.887 12.445 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.970 13.712 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.418 11.676 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.496 10.754 -5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.420 11.858 -7.569 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.696 13.340 -6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.767 12.217 -7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.518 12.256 -5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.250 10.820 -6.359 1.00 0.00 H new ATOM 378 N ASN A 23 6.636 14.935 -2.658 1.00 0.00 N ATOM 379 CA ASN A 23 7.461 16.131 -2.808 1.00 0.00 C ATOM 380 C ASN A 23 8.142 16.518 -1.498 1.00 0.00 C ATOM 381 O ASN A 23 9.327 16.854 -1.484 1.00 0.00 O ATOM 382 CB ASN A 23 6.608 17.298 -3.312 1.00 0.00 C ATOM 383 CG ASN A 23 7.114 17.860 -4.626 1.00 0.00 C ATOM 384 OD1 ASN A 23 7.357 17.120 -5.579 1.00 0.00 O ATOM 385 ND2 ASN A 23 7.276 19.177 -4.684 1.00 0.00 N ATOM 0 H ASN A 23 5.698 15.111 -2.299 1.00 0.00 H new ATOM 0 HA ASN A 23 8.240 15.904 -3.536 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.578 16.964 -3.436 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.599 18.088 -2.562 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.614 19.612 -5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.062 19.753 -3.870 1.00 0.00 H new ATOM 392 N SER A 24 7.393 16.475 -0.402 1.00 0.00 N ATOM 393 CA SER A 24 7.938 16.829 0.904 1.00 0.00 C ATOM 394 C SER A 24 8.747 15.675 1.485 1.00 0.00 C ATOM 395 O SER A 24 8.248 14.896 2.297 1.00 0.00 O ATOM 396 CB SER A 24 6.814 17.220 1.865 1.00 0.00 C ATOM 397 OG SER A 24 6.951 18.564 2.293 1.00 0.00 O ATOM 0 H SER A 24 6.411 16.200 -0.391 1.00 0.00 H new ATOM 0 HA SER A 24 8.602 17.684 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.850 17.088 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.824 16.557 2.730 1.00 0.00 H new ATOM 0 HG SER A 24 6.219 18.789 2.905 1.00 0.00 H new ATOM 403 N VAL A 25 10.003 15.574 1.061 1.00 0.00 N ATOM 404 CA VAL A 25 10.891 14.520 1.534 1.00 0.00 C ATOM 405 C VAL A 25 11.230 14.707 3.009 1.00 0.00 C ATOM 406 O VAL A 25 11.352 15.834 3.490 1.00 0.00 O ATOM 407 CB VAL A 25 12.195 14.479 0.710 1.00 0.00 C ATOM 408 CG1 VAL A 25 12.995 15.759 0.906 1.00 0.00 C ATOM 409 CG2 VAL A 25 13.024 13.259 1.079 1.00 0.00 C ATOM 0 H VAL A 25 10.429 16.212 0.389 1.00 0.00 H new ATOM 0 HA VAL A 25 10.363 13.575 1.409 1.00 0.00 H new ATOM 0 HB VAL A 25 11.932 14.403 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.911 15.710 0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.400 16.613 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 25 13.248 15.872 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.939 13.248 0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.277 13.298 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.450 12.355 0.876 1.00 0.00 H new ATOM 419 N GLY A 26 11.379 13.595 3.723 1.00 0.00 N ATOM 420 CA GLY A 26 11.701 13.658 5.137 1.00 0.00 C ATOM 421 C GLY A 26 11.952 12.288 5.736 1.00 0.00 C ATOM 422 O GLY A 26 13.089 11.816 5.767 1.00 0.00 O ATOM 0 H GLY A 26 11.282 12.652 3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.585 14.280 5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.883 14.141 5.672 1.00 0.00 H new ATOM 426 N ARG A 27 10.889 11.651 6.216 1.00 0.00 N ATOM 427 CA ARG A 27 10.998 10.329 6.821 1.00 0.00 C ATOM 428 C ARG A 27 9.904 9.400 6.303 1.00 0.00 C ATOM 429 O ARG A 27 8.717 9.715 6.390 1.00 0.00 O ATOM 430 CB ARG A 27 10.915 10.433 8.345 1.00 0.00 C ATOM 431 CG ARG A 27 12.250 10.728 9.009 1.00 0.00 C ATOM 432 CD ARG A 27 12.180 11.978 9.872 1.00 0.00 C ATOM 433 NE ARG A 27 12.159 13.198 9.070 1.00 0.00 N ATOM 434 CZ ARG A 27 11.972 14.412 9.580 1.00 0.00 C ATOM 435 NH1 ARG A 27 11.797 14.567 10.885 1.00 0.00 N ATOM 436 NH2 ARG A 27 11.963 15.472 8.784 1.00 0.00 N ATOM 0 H ARG A 27 9.942 12.029 6.198 1.00 0.00 H new ATOM 0 HA ARG A 27 11.966 9.910 6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.206 11.218 8.609 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.519 9.499 8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.548 9.878 9.622 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.017 10.855 8.245 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.286 11.939 10.495 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.037 12.002 10.545 1.00 0.00 H new ATOM 0 HE ARG A 27 12.295 13.115 8.063 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.806 13.754 11.501 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.654 15.499 11.273 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.100 15.357 7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.820 16.403 9.176 1.00 0.00 H new ATOM 450 N TRP A 28 10.313 8.253 5.769 1.00 0.00 N ATOM 451 CA TRP A 28 9.367 7.276 5.240 1.00 0.00 C ATOM 452 C TRP A 28 8.477 6.727 6.350 1.00 0.00 C ATOM 453 O TRP A 28 8.717 6.973 7.532 1.00 0.00 O ATOM 454 CB TRP A 28 10.113 6.118 4.572 1.00 0.00 C ATOM 455 CG TRP A 28 10.693 6.466 3.236 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.876 7.101 2.999 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.115 6.196 1.953 1.00 0.00 C ATOM 458 NE1 TRP A 28 12.069 7.247 1.648 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.003 6.699 0.984 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.933 5.582 1.529 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.747 6.604 -0.382 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.679 5.491 0.173 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.581 6.000 -0.767 1.00 0.00 C ATOM 0 H TRP A 28 11.292 7.977 5.691 1.00 0.00 H new ATOM 0 HA TRP A 28 8.744 7.781 4.502 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.915 5.786 5.231 1.00 0.00 H new ATOM 0 HB3 TRP A 28 9.429 5.277 4.454 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.561 7.439 3.762 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.875 7.691 1.209 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.231 5.186 2.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.443 6.993 -1.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.769 5.019 -0.166 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.352 5.915 -1.819 1.00 0.00 H new ATOM 474 N LYS A 29 7.464 5.963 5.959 1.00 0.00 N ATOM 475 CA LYS A 29 6.550 5.353 6.918 1.00 0.00 C ATOM 476 C LYS A 29 6.587 3.841 6.750 1.00 0.00 C ATOM 477 O LYS A 29 7.067 3.355 5.734 1.00 0.00 O ATOM 478 CB LYS A 29 5.125 5.876 6.721 1.00 0.00 C ATOM 479 CG LYS A 29 4.818 7.119 7.540 1.00 0.00 C ATOM 480 CD LYS A 29 3.361 7.153 7.970 1.00 0.00 C ATOM 481 CE LYS A 29 3.207 7.659 9.393 1.00 0.00 C ATOM 482 NZ LYS A 29 1.797 7.565 9.865 1.00 0.00 N ATOM 0 H LYS A 29 7.254 5.751 4.984 1.00 0.00 H new ATOM 0 HA LYS A 29 6.865 5.616 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.971 6.099 5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.418 5.091 6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.460 7.144 8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.047 8.009 6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.797 7.794 7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.935 6.153 7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.851 7.081 10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.540 8.695 9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.733 7.920 10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.185 8.137 9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.487 6.573 9.837 1.00 0.00 H new ATOM 496 N GLU A 30 6.100 3.098 7.744 1.00 0.00 N ATOM 497 CA GLU A 30 6.113 1.636 7.663 1.00 0.00 C ATOM 498 C GLU A 30 4.780 1.027 8.090 1.00 0.00 C ATOM 499 O GLU A 30 4.304 1.255 9.202 1.00 0.00 O ATOM 500 CB GLU A 30 7.238 1.068 8.530 1.00 0.00 C ATOM 501 CG GLU A 30 8.590 1.714 8.275 1.00 0.00 C ATOM 502 CD GLU A 30 9.739 0.731 8.397 1.00 0.00 C ATOM 503 OE1 GLU A 30 9.593 -0.265 9.134 1.00 0.00 O ATOM 504 OE2 GLU A 30 10.786 0.960 7.753 1.00 0.00 O ATOM 0 H GLU A 30 5.698 3.476 8.602 1.00 0.00 H new ATOM 0 HA GLU A 30 6.283 1.372 6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.976 1.197 9.580 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.318 -0.004 8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.596 2.153 7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.738 2.530 8.983 1.00 0.00 H new ATOM 511 N ALA A 31 4.195 0.233 7.196 1.00 0.00 N ATOM 512 CA ALA A 31 2.928 -0.438 7.464 1.00 0.00 C ATOM 513 C ALA A 31 2.918 -1.835 6.848 1.00 0.00 C ATOM 514 O ALA A 31 2.905 -1.978 5.627 1.00 0.00 O ATOM 515 CB ALA A 31 1.770 0.391 6.929 1.00 0.00 C ATOM 0 H ALA A 31 4.583 0.038 6.273 1.00 0.00 H new ATOM 0 HA ALA A 31 2.812 -0.541 8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.830 -0.121 7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.766 1.367 7.415 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.883 0.522 5.853 1.00 0.00 H new ATOM 521 N THR A 32 2.923 -2.864 7.692 1.00 0.00 N ATOM 522 CA THR A 32 2.916 -4.241 7.205 1.00 0.00 C ATOM 523 C THR A 32 1.514 -4.836 7.240 1.00 0.00 C ATOM 524 O THR A 32 0.906 -4.961 8.303 1.00 0.00 O ATOM 525 CB THR A 32 3.864 -5.140 8.019 1.00 0.00 C ATOM 526 OG1 THR A 32 4.953 -4.366 8.535 1.00 0.00 O ATOM 527 CG2 THR A 32 4.404 -6.273 7.155 1.00 0.00 C ATOM 0 H THR A 32 2.932 -2.772 8.708 1.00 0.00 H new ATOM 0 HA THR A 32 3.265 -4.204 6.173 1.00 0.00 H new ATOM 0 HB THR A 32 3.302 -5.569 8.848 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.550 -4.946 9.053 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.072 -6.897 7.749 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.575 -6.877 6.787 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.952 -5.857 6.310 1.00 0.00 H new ATOM 535 N ILE A 33 1.009 -5.200 6.066 1.00 0.00 N ATOM 536 CA ILE A 33 -0.320 -5.784 5.945 1.00 0.00 C ATOM 537 C ILE A 33 -0.278 -7.028 5.060 1.00 0.00 C ATOM 538 O ILE A 33 -0.041 -6.928 3.858 1.00 0.00 O ATOM 539 CB ILE A 33 -1.330 -4.777 5.353 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.815 -3.344 5.500 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.683 -4.925 6.027 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.617 -2.636 4.179 1.00 0.00 C ATOM 0 H ILE A 33 1.504 -5.100 5.180 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.646 -6.056 6.949 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.445 -4.992 4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.518 -2.774 6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.132 -3.360 6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.383 -4.208 5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.058 -5.936 5.871 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.580 -4.737 7.096 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.251 -1.625 4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.109 -3.183 3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.567 -2.588 3.646 1.00 0.00 H new ATOM 554 N PRO A 34 -0.496 -8.222 5.645 1.00 0.00 N ATOM 555 CA PRO A 34 -0.466 -9.487 4.899 1.00 0.00 C ATOM 556 C PRO A 34 -1.255 -9.429 3.593 1.00 0.00 C ATOM 557 O PRO A 34 -2.101 -8.555 3.399 1.00 0.00 O ATOM 558 CB PRO A 34 -1.095 -10.480 5.873 1.00 0.00 C ATOM 559 CG PRO A 34 -0.772 -9.935 7.221 1.00 0.00 C ATOM 560 CD PRO A 34 -0.775 -8.437 7.079 1.00 0.00 C ATOM 0 HA PRO A 34 0.545 -9.752 4.589 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.172 -10.555 5.723 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.684 -11.481 5.740 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.507 -10.258 7.958 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.200 -10.292 7.563 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.735 -8.009 7.369 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.016 -7.973 7.709 1.00 0.00 H new ATOM 568 N GLY A 35 -0.955 -10.363 2.693 1.00 0.00 N ATOM 569 CA GLY A 35 -1.619 -10.411 1.402 1.00 0.00 C ATOM 570 C GLY A 35 -3.134 -10.453 1.497 1.00 0.00 C ATOM 571 O GLY A 35 -3.715 -11.491 1.813 1.00 0.00 O ATOM 0 H GLY A 35 -0.258 -11.093 2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.324 -9.539 0.819 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.273 -11.290 0.858 1.00 0.00 H new ATOM 575 N HIS A 36 -3.765 -9.320 1.197 1.00 0.00 N ATOM 576 CA HIS A 36 -5.223 -9.201 1.219 1.00 0.00 C ATOM 577 C HIS A 36 -5.839 -9.854 2.454 1.00 0.00 C ATOM 578 O HIS A 36 -6.900 -10.475 2.371 1.00 0.00 O ATOM 579 CB HIS A 36 -5.820 -9.823 -0.045 1.00 0.00 C ATOM 580 CG HIS A 36 -6.974 -9.049 -0.607 1.00 0.00 C ATOM 581 ND1 HIS A 36 -7.230 -9.023 -1.956 1.00 0.00 N ATOM 582 CD2 HIS A 36 -7.902 -8.295 0.034 1.00 0.00 C ATOM 583 CE1 HIS A 36 -8.299 -8.262 -2.108 1.00 0.00 C ATOM 584 NE2 HIS A 36 -8.742 -7.799 -0.930 1.00 0.00 N ATOM 0 H HIS A 36 -3.283 -8.461 0.933 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.459 -8.137 1.256 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.042 -9.901 -0.804 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.149 -10.838 0.180 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.967 -8.119 1.098 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.758 -8.041 -3.060 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -9.549 -7.194 -0.780 1.00 0.00 H new ATOM 592 N LEU A 37 -5.183 -9.706 3.599 1.00 0.00 N ATOM 593 CA LEU A 37 -5.691 -10.280 4.839 1.00 0.00 C ATOM 594 C LEU A 37 -6.907 -9.497 5.334 1.00 0.00 C ATOM 595 O LEU A 37 -7.667 -9.977 6.175 1.00 0.00 O ATOM 596 CB LEU A 37 -4.590 -10.324 5.915 1.00 0.00 C ATOM 597 CG LEU A 37 -4.204 -8.986 6.575 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.139 -7.857 5.557 1.00 0.00 C ATOM 599 CD2 LEU A 37 -5.170 -8.636 7.699 1.00 0.00 C ATOM 0 H LEU A 37 -4.304 -9.197 3.695 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.004 -11.305 4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.910 -11.009 6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.694 -10.751 5.465 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.208 -9.109 7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.864 -6.930 6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.393 -8.094 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.113 -7.738 5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.876 -7.688 8.149 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.180 -8.550 7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.146 -9.420 8.456 1.00 0.00 H new ATOM 611 N ASN A 38 -7.079 -8.290 4.799 1.00 0.00 N ATOM 612 CA ASN A 38 -8.198 -7.430 5.172 1.00 0.00 C ATOM 613 C ASN A 38 -8.249 -6.195 4.277 1.00 0.00 C ATOM 614 O ASN A 38 -7.318 -5.932 3.516 1.00 0.00 O ATOM 615 CB ASN A 38 -8.087 -7.010 6.641 1.00 0.00 C ATOM 616 CG ASN A 38 -7.294 -5.730 6.826 1.00 0.00 C ATOM 617 OD1 ASN A 38 -6.067 -5.725 6.724 1.00 0.00 O ATOM 618 ND2 ASN A 38 -7.994 -4.636 7.102 1.00 0.00 N ATOM 0 H ASN A 38 -6.454 -7.885 4.102 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.120 -7.996 5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.087 -6.875 7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.614 -7.811 7.209 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.516 -3.745 7.239 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.010 -4.686 7.177 1.00 0.00 H new ATOM 625 N SER A 39 -9.340 -5.441 4.371 1.00 0.00 N ATOM 626 CA SER A 39 -9.507 -4.236 3.567 1.00 0.00 C ATOM 627 C SER A 39 -8.810 -3.044 4.218 1.00 0.00 C ATOM 628 O SER A 39 -9.286 -2.504 5.217 1.00 0.00 O ATOM 629 CB SER A 39 -10.992 -3.928 3.370 1.00 0.00 C ATOM 630 OG SER A 39 -11.596 -4.864 2.494 1.00 0.00 O ATOM 0 H SER A 39 -10.121 -5.643 4.995 1.00 0.00 H new ATOM 0 HA SER A 39 -9.049 -4.415 2.594 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.501 -3.946 4.334 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.107 -2.922 2.967 1.00 0.00 H new ATOM 0 HG SER A 39 -12.545 -4.646 2.386 1.00 0.00 H new ATOM 636 N TYR A 40 -7.682 -2.640 3.642 1.00 0.00 N ATOM 637 CA TYR A 40 -6.917 -1.513 4.163 1.00 0.00 C ATOM 638 C TYR A 40 -6.842 -0.387 3.136 1.00 0.00 C ATOM 639 O TYR A 40 -6.332 -0.573 2.030 1.00 0.00 O ATOM 640 CB TYR A 40 -5.507 -1.970 4.556 1.00 0.00 C ATOM 641 CG TYR A 40 -4.611 -0.847 5.031 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.664 -0.403 6.346 1.00 0.00 C ATOM 643 CD2 TYR A 40 -3.713 -0.233 4.166 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.848 0.623 6.786 1.00 0.00 C ATOM 645 CE2 TYR A 40 -2.894 0.792 4.599 1.00 0.00 C ATOM 646 CZ TYR A 40 -2.965 1.216 5.910 1.00 0.00 C ATOM 647 OH TYR A 40 -2.152 2.238 6.344 1.00 0.00 O ATOM 0 H TYR A 40 -7.277 -3.077 2.814 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.425 -1.132 5.049 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.584 -2.719 5.344 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.041 -2.456 3.699 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.354 -0.867 7.036 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.654 -0.562 3.139 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.902 0.958 7.811 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.201 1.259 3.914 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.589 2.545 5.603 1.00 0.00 H new ATOM 657 N THR A 41 -7.356 0.782 3.510 1.00 0.00 N ATOM 658 CA THR A 41 -7.354 1.942 2.624 1.00 0.00 C ATOM 659 C THR A 41 -6.505 3.074 3.200 1.00 0.00 C ATOM 660 O THR A 41 -6.437 3.253 4.416 1.00 0.00 O ATOM 661 CB THR A 41 -8.785 2.458 2.380 1.00 0.00 C ATOM 662 OG1 THR A 41 -9.634 1.376 1.980 1.00 0.00 O ATOM 663 CG2 THR A 41 -8.799 3.540 1.310 1.00 0.00 C ATOM 0 H THR A 41 -7.780 0.951 4.422 1.00 0.00 H new ATOM 0 HA THR A 41 -6.924 1.619 1.676 1.00 0.00 H new ATOM 0 HB THR A 41 -9.155 2.887 3.311 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.542 1.712 1.828 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.821 3.887 1.157 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.176 4.375 1.629 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.410 3.133 0.376 1.00 0.00 H new ATOM 671 N ILE A 42 -5.860 3.834 2.319 1.00 0.00 N ATOM 672 CA ILE A 42 -5.016 4.946 2.743 1.00 0.00 C ATOM 673 C ILE A 42 -5.781 6.266 2.723 1.00 0.00 C ATOM 674 O ILE A 42 -6.225 6.724 1.669 1.00 0.00 O ATOM 675 CB ILE A 42 -3.766 5.083 1.852 1.00 0.00 C ATOM 676 CG1 ILE A 42 -3.007 3.758 1.783 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.862 6.188 2.380 1.00 0.00 C ATOM 678 CD1 ILE A 42 -2.888 3.203 0.380 1.00 0.00 C ATOM 0 H ILE A 42 -5.906 3.700 1.309 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.705 4.724 3.764 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.086 5.346 0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.008 3.899 2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.512 3.026 2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.983 6.275 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.405 7.133 2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.550 5.948 3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.338 2.262 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.884 3.030 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.356 3.916 -0.250 1.00 0.00 H new ATOM 690 N LYS A 43 -5.916 6.878 3.895 1.00 0.00 N ATOM 691 CA LYS A 43 -6.611 8.152 4.021 1.00 0.00 C ATOM 692 C LYS A 43 -5.794 9.115 4.877 1.00 0.00 C ATOM 693 O LYS A 43 -6.236 9.547 5.942 1.00 0.00 O ATOM 694 CB LYS A 43 -8.000 7.953 4.637 1.00 0.00 C ATOM 695 CG LYS A 43 -8.653 6.630 4.268 1.00 0.00 C ATOM 696 CD LYS A 43 -10.020 6.843 3.636 1.00 0.00 C ATOM 697 CE LYS A 43 -11.108 6.973 4.691 1.00 0.00 C ATOM 698 NZ LYS A 43 -11.493 5.651 5.259 1.00 0.00 N ATOM 0 H LYS A 43 -5.551 6.510 4.774 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.732 8.576 3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.918 8.017 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.649 8.769 4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.011 6.086 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.755 6.012 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.001 7.741 3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.251 6.007 2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.760 7.625 5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.985 7.448 4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.283 5.776 5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.785 5.014 4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.680 5.239 5.760 1.00 0.00 H new ATOM 712 N GLY A 44 -4.594 9.440 4.406 1.00 0.00 N ATOM 713 CA GLY A 44 -3.727 10.341 5.141 1.00 0.00 C ATOM 714 C GLY A 44 -3.385 11.595 4.363 1.00 0.00 C ATOM 715 O GLY A 44 -2.936 12.586 4.942 1.00 0.00 O ATOM 0 H GLY A 44 -4.207 9.095 3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.211 10.621 6.077 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.806 9.819 5.402 1.00 0.00 H new ATOM 719 N LEU A 45 -3.596 11.560 3.052 1.00 0.00 N ATOM 720 CA LEU A 45 -3.304 12.713 2.207 1.00 0.00 C ATOM 721 C LEU A 45 -4.539 13.582 2.052 1.00 0.00 C ATOM 722 O LEU A 45 -5.647 13.078 1.864 1.00 0.00 O ATOM 723 CB LEU A 45 -2.787 12.308 0.813 1.00 0.00 C ATOM 724 CG LEU A 45 -2.587 10.813 0.546 1.00 0.00 C ATOM 725 CD1 LEU A 45 -1.675 10.169 1.583 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.930 10.101 0.482 1.00 0.00 C ATOM 0 H LEU A 45 -3.966 10.751 2.553 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.513 13.273 2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.485 12.693 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.834 12.811 0.647 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.094 10.711 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.559 9.109 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.699 10.654 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.114 10.283 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.770 9.040 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.453 10.225 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.530 10.528 -0.322 1.00 0.00 H new ATOM 738 N LYS A 46 -4.342 14.889 2.128 1.00 0.00 N ATOM 739 CA LYS A 46 -5.440 15.831 1.991 1.00 0.00 C ATOM 740 C LYS A 46 -5.408 16.485 0.615 1.00 0.00 C ATOM 741 O LYS A 46 -4.386 16.452 -0.069 1.00 0.00 O ATOM 742 CB LYS A 46 -5.379 16.889 3.098 1.00 0.00 C ATOM 743 CG LYS A 46 -4.346 17.971 2.853 1.00 0.00 C ATOM 744 CD LYS A 46 -4.607 19.194 3.713 1.00 0.00 C ATOM 745 CE LYS A 46 -4.060 20.455 3.064 1.00 0.00 C ATOM 746 NZ LYS A 46 -3.812 21.530 4.061 1.00 0.00 N ATOM 0 H LYS A 46 -3.431 15.321 2.284 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.380 15.288 2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.360 17.353 3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.159 16.398 4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.351 17.581 3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.358 18.255 1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.679 19.303 3.877 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.147 19.058 4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.131 20.222 2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.765 20.812 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.440 22.372 3.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.703 21.771 4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.120 21.199 4.763 1.00 0.00 H new ATOM 760 N PRO A 47 -6.533 17.078 0.180 1.00 0.00 N ATOM 761 CA PRO A 47 -6.620 17.720 -1.131 1.00 0.00 C ATOM 762 C PRO A 47 -5.554 18.793 -1.337 1.00 0.00 C ATOM 763 O PRO A 47 -5.718 19.942 -0.924 1.00 0.00 O ATOM 764 CB PRO A 47 -8.026 18.316 -1.163 1.00 0.00 C ATOM 765 CG PRO A 47 -8.796 17.583 -0.118 1.00 0.00 C ATOM 766 CD PRO A 47 -7.804 17.154 0.923 1.00 0.00 C ATOM 0 HA PRO A 47 -6.443 17.008 -1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.003 19.386 -0.955 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.482 18.192 -2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.563 18.223 0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.306 16.720 -0.546 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.747 17.871 1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.072 16.192 1.359 1.00 0.00 H new ATOM 774 N GLY A 48 -4.457 18.398 -1.986 1.00 0.00 N ATOM 775 CA GLY A 48 -3.367 19.318 -2.252 1.00 0.00 C ATOM 776 C GLY A 48 -2.000 18.693 -2.030 1.00 0.00 C ATOM 777 O GLY A 48 -0.979 19.292 -2.370 1.00 0.00 O ATOM 0 H GLY A 48 -4.307 17.451 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.438 19.670 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.470 20.192 -1.609 1.00 0.00 H new ATOM 781 N VAL A 49 -1.974 17.495 -1.450 1.00 0.00 N ATOM 782 CA VAL A 49 -0.712 16.808 -1.175 1.00 0.00 C ATOM 783 C VAL A 49 -0.611 15.457 -1.867 1.00 0.00 C ATOM 784 O VAL A 49 -1.562 14.675 -1.879 1.00 0.00 O ATOM 785 CB VAL A 49 -0.490 16.573 0.327 1.00 0.00 C ATOM 786 CG1 VAL A 49 0.907 17.018 0.731 1.00 0.00 C ATOM 787 CG2 VAL A 49 -1.556 17.274 1.153 1.00 0.00 C ATOM 0 H VAL A 49 -2.807 16.981 -1.162 1.00 0.00 H new ATOM 0 HA VAL A 49 0.053 17.478 -1.568 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.576 15.505 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.050 16.845 1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.647 16.448 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.027 18.080 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.375 17.091 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.520 18.346 0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.539 16.889 0.881 1.00 0.00 H new ATOM 797 N VAL A 50 0.570 15.178 -2.403 1.00 0.00 N ATOM 798 CA VAL A 50 0.839 13.907 -3.059 1.00 0.00 C ATOM 799 C VAL A 50 1.855 13.121 -2.234 1.00 0.00 C ATOM 800 O VAL A 50 2.986 13.564 -2.045 1.00 0.00 O ATOM 801 CB VAL A 50 1.375 14.108 -4.492 1.00 0.00 C ATOM 802 CG1 VAL A 50 2.488 15.145 -4.512 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.855 12.787 -5.077 1.00 0.00 C ATOM 0 H VAL A 50 1.362 15.821 -2.395 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.098 13.354 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 50 0.558 14.477 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.850 15.270 -5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.105 16.097 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.307 14.812 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.229 12.951 -6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.654 12.383 -4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.026 12.080 -5.107 1.00 0.00 H new ATOM 813 N TYR A 51 1.443 11.963 -1.724 1.00 0.00 N ATOM 814 CA TYR A 51 2.327 11.142 -0.905 1.00 0.00 C ATOM 815 C TYR A 51 2.822 9.931 -1.674 1.00 0.00 C ATOM 816 O TYR A 51 2.027 9.142 -2.181 1.00 0.00 O ATOM 817 CB TYR A 51 1.613 10.674 0.362 1.00 0.00 C ATOM 818 CG TYR A 51 1.371 11.773 1.369 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.419 12.749 1.132 1.00 0.00 C ATOM 820 CD2 TYR A 51 2.083 11.825 2.561 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.178 13.749 2.049 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.851 12.826 3.486 1.00 0.00 C ATOM 823 CZ TYR A 51 0.896 13.785 3.225 1.00 0.00 C ATOM 824 OH TYR A 51 0.657 14.781 4.144 1.00 0.00 O ATOM 0 H TYR A 51 0.510 11.575 -1.863 1.00 0.00 H new ATOM 0 HA TYR A 51 3.182 11.761 -0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.656 10.231 0.086 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.205 9.888 0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.145 12.727 0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.829 11.072 2.768 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.570 14.501 1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.414 12.856 4.407 1.00 0.00 H new ATOM 0 HH TYR A 51 1.247 14.661 4.918 1.00 0.00 H new ATOM 834 N GLU A 52 4.137 9.775 -1.742 1.00 0.00 N ATOM 835 CA GLU A 52 4.716 8.642 -2.437 1.00 0.00 C ATOM 836 C GLU A 52 4.655 7.412 -1.548 1.00 0.00 C ATOM 837 O GLU A 52 5.117 7.440 -0.413 1.00 0.00 O ATOM 838 CB GLU A 52 6.165 8.944 -2.826 1.00 0.00 C ATOM 839 CG GLU A 52 6.927 7.731 -3.333 1.00 0.00 C ATOM 840 CD GLU A 52 8.011 8.098 -4.327 1.00 0.00 C ATOM 841 OE1 GLU A 52 8.863 8.947 -3.990 1.00 0.00 O ATOM 842 OE2 GLU A 52 8.009 7.536 -5.442 1.00 0.00 O ATOM 0 H GLU A 52 4.815 10.414 -1.327 1.00 0.00 H new ATOM 0 HA GLU A 52 4.147 8.452 -3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.172 9.715 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.686 9.354 -1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.376 7.209 -2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.229 7.038 -3.802 1.00 0.00 H new ATOM 849 N GLY A 53 4.083 6.337 -2.079 1.00 0.00 N ATOM 850 CA GLY A 53 3.963 5.104 -1.321 1.00 0.00 C ATOM 851 C GLY A 53 4.809 3.988 -1.889 1.00 0.00 C ATOM 852 O GLY A 53 5.152 4.005 -3.072 1.00 0.00 O ATOM 0 H GLY A 53 3.699 6.297 -3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.256 5.287 -0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.919 4.792 -1.305 1.00 0.00 H new ATOM 856 N GLN A 54 5.153 3.010 -1.053 1.00 0.00 N ATOM 857 CA GLN A 54 5.969 1.895 -1.505 1.00 0.00 C ATOM 858 C GLN A 54 5.383 0.565 -1.054 1.00 0.00 C ATOM 859 O GLN A 54 5.336 0.267 0.139 1.00 0.00 O ATOM 860 CB GLN A 54 7.401 2.039 -0.985 1.00 0.00 C ATOM 861 CG GLN A 54 8.367 1.043 -1.600 1.00 0.00 C ATOM 862 CD GLN A 54 9.769 1.161 -1.035 1.00 0.00 C ATOM 863 OE1 GLN A 54 9.965 1.665 0.071 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.755 0.693 -1.792 1.00 0.00 N ATOM 0 H GLN A 54 4.881 2.970 -0.071 1.00 0.00 H new ATOM 0 HA GLN A 54 5.981 1.910 -2.595 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.754 3.050 -1.189 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.401 1.913 0.098 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.996 0.032 -1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.401 1.195 -2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.548 0.283 -2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.719 0.744 -1.463 1.00 0.00 H new ATOM 873 N LEU A 55 4.951 -0.238 -2.019 1.00 0.00 N ATOM 874 CA LEU A 55 4.385 -1.544 -1.722 1.00 0.00 C ATOM 875 C LEU A 55 5.427 -2.627 -1.966 1.00 0.00 C ATOM 876 O LEU A 55 5.748 -2.946 -3.110 1.00 0.00 O ATOM 877 CB LEU A 55 3.149 -1.800 -2.588 1.00 0.00 C ATOM 878 CG LEU A 55 1.832 -1.932 -1.821 1.00 0.00 C ATOM 879 CD1 LEU A 55 1.334 -0.566 -1.375 1.00 0.00 C ATOM 880 CD2 LEU A 55 0.786 -2.629 -2.678 1.00 0.00 C ATOM 0 H LEU A 55 4.983 -0.006 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 55 4.085 -1.566 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.053 -0.985 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.310 -2.713 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 55 2.009 -2.538 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.396 -0.680 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.076 -0.103 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.172 0.065 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.145 -2.715 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.612 -2.048 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.141 -3.624 -2.947 1.00 0.00 H new ATOM 892 N ILE A 56 5.959 -3.180 -0.883 1.00 0.00 N ATOM 893 CA ILE A 56 6.974 -4.218 -0.983 1.00 0.00 C ATOM 894 C ILE A 56 6.486 -5.533 -0.388 1.00 0.00 C ATOM 895 O ILE A 56 6.148 -5.601 0.793 1.00 0.00 O ATOM 896 CB ILE A 56 8.284 -3.798 -0.281 1.00 0.00 C ATOM 897 CG1 ILE A 56 8.916 -2.609 -1.005 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.262 -4.962 -0.222 1.00 0.00 C ATOM 899 CD1 ILE A 56 10.169 -2.083 -0.336 1.00 0.00 C ATOM 0 H ILE A 56 5.704 -2.927 0.072 1.00 0.00 H new ATOM 0 HA ILE A 56 7.171 -4.360 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 56 8.045 -3.500 0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.157 -2.903 -2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.184 -1.804 -1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.177 -4.643 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.814 -5.786 0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.496 -5.292 -1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.560 -1.241 -0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.931 -1.756 0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.919 -2.873 -0.296 1.00 0.00 H new ATOM 911 N SER A 57 6.468 -6.580 -1.205 1.00 0.00 N ATOM 912 CA SER A 57 6.036 -7.888 -0.739 1.00 0.00 C ATOM 913 C SER A 57 7.182 -8.594 -0.028 1.00 0.00 C ATOM 914 O SER A 57 8.325 -8.568 -0.482 1.00 0.00 O ATOM 915 CB SER A 57 5.525 -8.747 -1.895 1.00 0.00 C ATOM 916 OG SER A 57 4.742 -7.981 -2.794 1.00 0.00 O ATOM 0 H SER A 57 6.746 -6.548 -2.186 1.00 0.00 H new ATOM 0 HA SER A 57 5.214 -7.743 -0.038 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.369 -9.186 -2.427 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.931 -9.573 -1.503 1.00 0.00 H new ATOM 0 HG SER A 57 4.063 -7.482 -2.293 1.00 0.00 H new ATOM 922 N ILE A 58 6.862 -9.197 1.101 1.00 0.00 N ATOM 923 CA ILE A 58 7.844 -9.906 1.914 1.00 0.00 C ATOM 924 C ILE A 58 7.529 -11.397 2.022 1.00 0.00 C ATOM 925 O ILE A 58 6.395 -11.784 2.320 1.00 0.00 O ATOM 926 CB ILE A 58 7.944 -9.293 3.328 1.00 0.00 C ATOM 927 CG1 ILE A 58 8.793 -8.025 3.286 1.00 0.00 C ATOM 928 CG2 ILE A 58 8.529 -10.293 4.317 1.00 0.00 C ATOM 929 CD1 ILE A 58 8.073 -6.794 3.792 1.00 0.00 C ATOM 0 H ILE A 58 5.917 -9.212 1.484 1.00 0.00 H new ATOM 0 HA ILE A 58 8.804 -9.796 1.409 1.00 0.00 H new ATOM 0 HB ILE A 58 6.939 -9.037 3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.692 -8.180 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.118 -7.849 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.588 -9.836 5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.890 -11.175 4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.528 -10.585 3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.739 -5.933 3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.189 -6.613 3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.772 -6.949 4.828 1.00 0.00 H new ATOM 941 N GLN A 59 8.548 -12.222 1.803 1.00 0.00 N ATOM 942 CA GLN A 59 8.405 -13.670 1.897 1.00 0.00 C ATOM 943 C GLN A 59 8.820 -14.154 3.281 1.00 0.00 C ATOM 944 O GLN A 59 9.136 -13.349 4.157 1.00 0.00 O ATOM 945 CB GLN A 59 9.252 -14.367 0.832 1.00 0.00 C ATOM 946 CG GLN A 59 8.481 -15.393 0.018 1.00 0.00 C ATOM 947 CD GLN A 59 8.685 -16.808 0.518 1.00 0.00 C ATOM 948 OE1 GLN A 59 9.933 -17.259 0.522 1.00 0.00 O flip ATOM 949 NE2 GLN A 59 7.734 -17.489 0.899 1.00 0.00 N flip ATOM 0 H GLN A 59 9.487 -11.909 1.558 1.00 0.00 H new ATOM 0 HA GLN A 59 7.357 -13.919 1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.664 -13.616 0.158 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.096 -14.859 1.315 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.419 -15.151 0.048 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.792 -15.332 -1.025 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.790 -17.103 0.879 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.889 -18.440 1.235 1.00 0.00 H new ATOM 958 N GLN A 60 8.822 -15.467 3.473 1.00 0.00 N ATOM 959 CA GLN A 60 9.203 -16.047 4.756 1.00 0.00 C ATOM 960 C GLN A 60 10.637 -15.667 5.112 1.00 0.00 C ATOM 961 O GLN A 60 10.994 -15.589 6.288 1.00 0.00 O ATOM 962 CB GLN A 60 9.060 -17.569 4.716 1.00 0.00 C ATOM 963 CG GLN A 60 9.764 -18.217 3.536 1.00 0.00 C ATOM 964 CD GLN A 60 11.021 -18.960 3.943 1.00 0.00 C ATOM 965 OE1 GLN A 60 12.075 -18.357 4.147 1.00 0.00 O ATOM 966 NE2 GLN A 60 10.916 -20.279 4.063 1.00 0.00 N ATOM 0 H GLN A 60 8.565 -16.149 2.760 1.00 0.00 H new ATOM 0 HA GLN A 60 8.537 -15.650 5.522 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.459 -17.987 5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.001 -17.825 4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.080 -18.909 3.045 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.020 -17.450 2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.023 -20.738 3.884 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.729 -20.833 4.334 1.00 0.00 H new ATOM 975 N TYR A 61 11.452 -15.421 4.089 1.00 0.00 N ATOM 976 CA TYR A 61 12.843 -15.037 4.299 1.00 0.00 C ATOM 977 C TYR A 61 13.030 -13.537 4.076 1.00 0.00 C ATOM 978 O TYR A 61 14.111 -12.996 4.309 1.00 0.00 O ATOM 979 CB TYR A 61 13.766 -15.834 3.370 1.00 0.00 C ATOM 980 CG TYR A 61 13.831 -15.303 1.954 1.00 0.00 C ATOM 981 CD1 TYR A 61 12.801 -15.545 1.053 1.00 0.00 C ATOM 982 CD2 TYR A 61 14.923 -14.563 1.519 1.00 0.00 C ATOM 983 CE1 TYR A 61 12.860 -15.065 -0.242 1.00 0.00 C ATOM 984 CE2 TYR A 61 14.988 -14.080 0.226 1.00 0.00 C ATOM 985 CZ TYR A 61 13.955 -14.333 -0.650 1.00 0.00 C ATOM 986 OH TYR A 61 14.018 -13.854 -1.938 1.00 0.00 O ATOM 0 H TYR A 61 11.173 -15.481 3.110 1.00 0.00 H new ATOM 0 HA TYR A 61 13.107 -15.266 5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.771 -15.838 3.791 1.00 0.00 H new ATOM 0 HB3 TYR A 61 13.428 -16.870 3.342 1.00 0.00 H new ATOM 0 HD1 TYR A 61 11.941 -16.117 1.369 1.00 0.00 H new ATOM 0 HD2 TYR A 61 15.735 -14.362 2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 61 12.052 -15.262 -0.931 1.00 0.00 H new ATOM 0 HE2 TYR A 61 15.845 -13.507 -0.097 1.00 0.00 H new ATOM 0 HH TYR A 61 14.854 -13.358 -2.062 1.00 0.00 H new ATOM 996 N GLY A 62 11.967 -12.871 3.631 1.00 0.00 N ATOM 997 CA GLY A 62 12.029 -11.440 3.390 1.00 0.00 C ATOM 998 C GLY A 62 12.269 -11.096 1.931 1.00 0.00 C ATOM 999 O GLY A 62 12.887 -11.871 1.199 1.00 0.00 O ATOM 0 H GLY A 62 11.062 -13.298 3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.096 -10.981 3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.826 -11.009 3.996 1.00 0.00 H new ATOM 1003 N HIS A 63 11.783 -9.925 1.515 1.00 0.00 N ATOM 1004 CA HIS A 63 11.942 -9.454 0.138 1.00 0.00 C ATOM 1005 C HIS A 63 11.172 -10.334 -0.846 1.00 0.00 C ATOM 1006 O HIS A 63 11.303 -11.558 -0.835 1.00 0.00 O ATOM 1007 CB HIS A 63 13.425 -9.413 -0.248 1.00 0.00 C ATOM 1008 CG HIS A 63 13.767 -8.319 -1.212 1.00 0.00 C ATOM 1009 ND1 HIS A 63 14.457 -8.578 -2.371 1.00 0.00 N ATOM 1010 CD2 HIS A 63 13.503 -6.991 -1.142 1.00 0.00 C ATOM 1011 CE1 HIS A 63 14.597 -7.413 -2.978 1.00 0.00 C ATOM 1012 NE2 HIS A 63 14.035 -6.421 -2.271 1.00 0.00 N ATOM 0 H HIS A 63 11.272 -9.281 2.118 1.00 0.00 H new ATOM 0 HA HIS A 63 11.531 -8.446 0.086 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.023 -9.289 0.655 1.00 0.00 H new ATOM 0 HB3 HIS A 63 13.704 -10.371 -0.686 1.00 0.00 H new ATOM 0 HD2 HIS A 63 12.976 -6.480 -0.350 1.00 0.00 H new ATOM 0 HE1 HIS A 63 15.100 -7.276 -3.924 1.00 0.00 H new ATOM 0 HE2 HIS A 63 14.008 -5.433 -2.524 1.00 0.00 H new ATOM 1020 N GLN A 64 10.370 -9.699 -1.696 1.00 0.00 N ATOM 1021 CA GLN A 64 9.579 -10.421 -2.689 1.00 0.00 C ATOM 1022 C GLN A 64 9.218 -9.524 -3.866 1.00 0.00 C ATOM 1023 O GLN A 64 9.414 -9.890 -5.025 1.00 0.00 O ATOM 1024 CB GLN A 64 8.299 -10.970 -2.061 1.00 0.00 C ATOM 1025 CG GLN A 64 8.395 -12.428 -1.661 1.00 0.00 C ATOM 1026 CD GLN A 64 9.074 -13.286 -2.712 1.00 0.00 C ATOM 1027 OE1 GLN A 64 10.142 -13.972 -2.320 1.00 0.00 O flip ATOM 1028 NE2 GLN A 64 8.644 -13.332 -3.864 1.00 0.00 N flip ATOM 0 H GLN A 64 10.250 -8.686 -1.717 1.00 0.00 H new ATOM 0 HA GLN A 64 10.188 -11.248 -3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.053 -10.376 -1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.477 -10.849 -2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.946 -12.507 -0.724 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.393 -12.815 -1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.820 -12.789 -4.123 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.111 -13.913 -4.560 1.00 0.00 H new ATOM 1037 N GLU A 65 8.667 -8.356 -3.556 1.00 0.00 N ATOM 1038 CA GLU A 65 8.248 -7.409 -4.580 1.00 0.00 C ATOM 1039 C GLU A 65 8.489 -5.973 -4.130 1.00 0.00 C ATOM 1040 O GLU A 65 8.350 -5.660 -2.955 1.00 0.00 O ATOM 1041 CB GLU A 65 6.765 -7.609 -4.882 1.00 0.00 C ATOM 1042 CG GLU A 65 6.399 -7.377 -6.339 1.00 0.00 C ATOM 1043 CD GLU A 65 5.182 -8.172 -6.767 1.00 0.00 C ATOM 1044 OE1 GLU A 65 5.126 -9.383 -6.462 1.00 0.00 O ATOM 1045 OE2 GLU A 65 4.284 -7.586 -7.408 1.00 0.00 O ATOM 0 H GLU A 65 8.500 -8.042 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 65 8.838 -7.590 -5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.480 -8.623 -4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.182 -6.931 -4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.209 -6.315 -6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.246 -7.647 -6.970 1.00 0.00 H new ATOM 1052 N VAL A 66 8.845 -5.102 -5.068 1.00 0.00 N ATOM 1053 CA VAL A 66 9.089 -3.699 -4.747 1.00 0.00 C ATOM 1054 C VAL A 66 8.419 -2.775 -5.759 1.00 0.00 C ATOM 1055 O VAL A 66 8.675 -2.864 -6.961 1.00 0.00 O ATOM 1056 CB VAL A 66 10.593 -3.374 -4.691 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.804 -1.907 -4.338 1.00 0.00 C ATOM 1058 CG2 VAL A 66 11.301 -4.276 -3.691 1.00 0.00 C ATOM 0 H VAL A 66 8.971 -5.340 -6.052 1.00 0.00 H new ATOM 0 HA VAL A 66 8.657 -3.531 -3.760 1.00 0.00 H new ATOM 0 HB VAL A 66 11.024 -3.558 -5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.872 -1.691 -4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.332 -1.279 -5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.359 -1.699 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.363 -4.030 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.872 -4.128 -2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.177 -5.317 -3.989 1.00 0.00 H new ATOM 1068 N THR A 67 7.564 -1.882 -5.267 1.00 0.00 N ATOM 1069 CA THR A 67 6.865 -0.937 -6.130 1.00 0.00 C ATOM 1070 C THR A 67 6.844 0.460 -5.507 1.00 0.00 C ATOM 1071 O THR A 67 6.322 0.654 -4.409 1.00 0.00 O ATOM 1072 CB THR A 67 5.420 -1.408 -6.408 1.00 0.00 C ATOM 1073 OG1 THR A 67 5.421 -2.413 -7.428 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.528 -0.250 -6.839 1.00 0.00 C ATOM 0 H THR A 67 7.339 -1.794 -4.276 1.00 0.00 H new ATOM 0 HA THR A 67 7.407 -0.891 -7.075 1.00 0.00 H new ATOM 0 HB THR A 67 5.021 -1.821 -5.481 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.502 -2.708 -7.598 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.519 -0.618 -7.026 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.500 0.501 -6.049 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.926 0.196 -7.750 1.00 0.00 H new ATOM 1082 N ARG A 68 7.415 1.430 -6.220 1.00 0.00 N ATOM 1083 CA ARG A 68 7.463 2.812 -5.742 1.00 0.00 C ATOM 1084 C ARG A 68 6.602 3.723 -6.612 1.00 0.00 C ATOM 1085 O ARG A 68 6.855 3.873 -7.808 1.00 0.00 O ATOM 1086 CB ARG A 68 8.905 3.320 -5.723 1.00 0.00 C ATOM 1087 CG ARG A 68 9.923 2.255 -5.346 1.00 0.00 C ATOM 1088 CD ARG A 68 11.323 2.644 -5.789 1.00 0.00 C ATOM 1089 NE ARG A 68 11.756 1.886 -6.959 1.00 0.00 N ATOM 1090 CZ ARG A 68 12.791 1.053 -6.957 1.00 0.00 C ATOM 1091 NH1 ARG A 68 13.496 0.869 -5.848 1.00 0.00 N ATOM 1092 NH2 ARG A 68 13.122 0.401 -8.064 1.00 0.00 N ATOM 0 H ARG A 68 7.851 1.285 -7.131 1.00 0.00 H new ATOM 0 HA ARG A 68 7.066 2.830 -4.727 1.00 0.00 H new ATOM 0 HB2 ARG A 68 9.154 3.716 -6.707 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.980 4.148 -5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.910 2.103 -4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.645 1.306 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 68 11.348 3.709 -6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.022 2.477 -4.970 1.00 0.00 H new ATOM 0 HE ARG A 68 11.234 2.003 -7.828 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.244 1.368 -4.995 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.290 0.229 -5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.582 0.539 -8.918 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.917 -0.238 -8.061 1.00 0.00 H new ATOM 1106 N PHE A 69 5.588 4.334 -6.008 1.00 0.00 N ATOM 1107 CA PHE A 69 4.696 5.233 -6.738 1.00 0.00 C ATOM 1108 C PHE A 69 4.009 6.224 -5.805 1.00 0.00 C ATOM 1109 O PHE A 69 3.553 5.857 -4.724 1.00 0.00 O ATOM 1110 CB PHE A 69 3.653 4.423 -7.520 1.00 0.00 C ATOM 1111 CG PHE A 69 2.480 3.971 -6.696 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.642 3.033 -5.688 1.00 0.00 C ATOM 1113 CD2 PHE A 69 1.215 4.487 -6.929 1.00 0.00 C ATOM 1114 CE1 PHE A 69 1.564 2.618 -4.930 1.00 0.00 C ATOM 1115 CE2 PHE A 69 0.133 4.074 -6.174 1.00 0.00 C ATOM 1116 CZ PHE A 69 0.308 3.139 -5.172 1.00 0.00 C ATOM 0 H PHE A 69 5.363 4.225 -5.019 1.00 0.00 H new ATOM 0 HA PHE A 69 5.302 5.807 -7.439 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.288 5.027 -8.350 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.138 3.548 -7.952 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.622 2.622 -5.493 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.073 5.220 -7.709 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.703 1.886 -4.148 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.848 4.482 -6.367 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.535 2.816 -4.579 1.00 0.00 H new ATOM 1126 N ASP A 70 3.931 7.484 -6.235 1.00 0.00 N ATOM 1127 CA ASP A 70 3.292 8.520 -5.443 1.00 0.00 C ATOM 1128 C ASP A 70 1.827 8.641 -5.824 1.00 0.00 C ATOM 1129 O ASP A 70 1.475 8.621 -7.004 1.00 0.00 O ATOM 1130 CB ASP A 70 3.995 9.860 -5.648 1.00 0.00 C ATOM 1131 CG ASP A 70 3.936 10.333 -7.088 1.00 0.00 C ATOM 1132 OD1 ASP A 70 4.306 9.550 -7.988 1.00 0.00 O ATOM 1133 OD2 ASP A 70 3.520 11.489 -7.318 1.00 0.00 O ATOM 0 H ASP A 70 4.304 7.806 -7.128 1.00 0.00 H new ATOM 0 HA ASP A 70 3.365 8.244 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.536 10.610 -5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.037 9.771 -5.341 1.00 0.00 H new ATOM 1138 N PHE A 71 0.976 8.737 -4.813 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.454 8.828 -5.034 1.00 0.00 C ATOM 1140 C PHE A 71 -1.115 9.796 -4.081 1.00 0.00 C ATOM 1141 O PHE A 71 -0.572 10.134 -3.028 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.098 7.455 -4.846 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.169 7.010 -3.403 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -2.102 7.557 -2.516 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -0.302 6.034 -2.933 1.00 0.00 C ATOM 1146 CE1 PHE A 71 -2.156 7.132 -1.202 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -0.357 5.611 -1.617 1.00 0.00 C ATOM 1148 CZ PHE A 71 -1.284 6.160 -0.753 1.00 0.00 C ATOM 0 H PHE A 71 1.254 8.754 -3.832 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.597 9.188 -6.053 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.106 7.476 -5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.534 6.718 -5.417 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.786 8.318 -2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.425 5.599 -3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.881 7.561 -0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.325 4.851 -1.265 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.327 5.829 0.274 1.00 0.00 H new ATOM 1158 N THR A 72 -2.321 10.192 -4.441 1.00 0.00 N ATOM 1159 CA THR A 72 -3.113 11.066 -3.616 1.00 0.00 C ATOM 1160 C THR A 72 -4.596 10.781 -3.827 1.00 0.00 C ATOM 1161 O THR A 72 -5.073 10.751 -4.963 1.00 0.00 O ATOM 1162 CB THR A 72 -2.823 12.554 -3.917 1.00 0.00 C ATOM 1163 OG1 THR A 72 -4.047 13.276 -4.073 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.987 12.709 -5.180 1.00 0.00 C ATOM 0 H THR A 72 -2.773 9.914 -5.312 1.00 0.00 H new ATOM 0 HA THR A 72 -2.844 10.873 -2.578 1.00 0.00 H new ATOM 0 HB THR A 72 -2.262 12.957 -3.074 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.850 14.217 -4.262 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.800 13.767 -5.365 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.037 12.189 -5.054 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.525 12.282 -6.027 1.00 0.00 H new