USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 713 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 64 CYS SG : rot 180:sc= -4.66! USER MOD Set 1.2: A 92 MET CE :methyl 171:sc= -0.658 (180deg=-0.918) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.144) USER MOD Set 2.2: A 42 TYR OH : rot 180:sc= -0.33 USER MOD Set 3.1: A 37 LYS NZ :NH3+ 151:sc= 0.478 (180deg=0) USER MOD Set 3.2: A 39 GLN : amide:sc= 1.02 K(o=2.7,f=-0.27) USER MOD Set 3.3: A 41 TYR OH : rot -78:sc= 1.23 USER MOD Set 3.4: A 54 SER OG : rot -175:sc= 0.00306 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.0709 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -170:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 140:sc= 0.0526 (180deg=-0.0833) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= -1.7 USER MOD Single : A 38 CYS SG : rot -26:sc= -0.132 USER MOD Single : A 43 SER OG : rot 69:sc= 1 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 163:sc=-0.000953 (180deg=-0.713) USER MOD Single : A 77 THR OG1 : rot -87:sc= 2.02 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00945) USER MOD Single : A 90 GLN : amide:sc= -0.873 K(o=-0.87,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc=-0.00292 K(o=-0.0029,f=-1.4) USER MOD Single : A 98 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.73) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl -158:sc= -0.0707 (180deg=-0.658) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HE2:sc= 0.0283 K(o=0.028,f=-1) USER MOD ----------------------------------------------------------------- ATOM 110 N LEU A 10 -3.520 6.522 6.159 1.00 0.00 N ATOM 111 CA LEU A 10 -2.949 5.179 6.158 1.00 0.00 C ATOM 112 C LEU A 10 -1.485 5.211 5.732 1.00 0.00 C ATOM 113 O LEU A 10 -1.176 5.349 4.548 1.00 0.00 O ATOM 114 CB LEU A 10 -3.745 4.266 5.223 1.00 0.00 C ATOM 115 CG LEU A 10 -3.117 2.905 4.921 1.00 0.00 C ATOM 116 CD1 LEU A 10 -3.257 1.975 6.116 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.754 2.287 3.684 1.00 0.00 C ATOM 0 HA LEU A 10 -3.004 4.786 7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.730 4.101 5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.899 4.790 4.280 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.055 3.052 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.804 1.011 5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.754 2.412 6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.313 1.834 6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.295 1.319 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.823 2.154 3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.601 2.945 2.829 1.00 0.00 H new ATOM 129 N CYS A 11 -0.589 5.080 6.703 1.00 0.00 N ATOM 130 CA CYS A 11 0.844 5.092 6.429 1.00 0.00 C ATOM 131 C CYS A 11 1.579 4.108 7.333 1.00 0.00 C ATOM 132 O CYS A 11 1.052 3.678 8.358 1.00 0.00 O ATOM 133 CB CYS A 11 1.409 6.500 6.621 1.00 0.00 C ATOM 134 SG CYS A 11 1.227 7.146 8.300 1.00 0.00 S ATOM 0 H CYS A 11 -0.829 4.964 7.688 1.00 0.00 H new ATOM 0 HA CYS A 11 0.993 4.787 5.393 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.467 6.494 6.358 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.912 7.177 5.927 1.00 0.00 H new ATOM 0 HG CYS A 11 1.737 8.340 8.363 1.00 0.00 H new ATOM 140 N GLY A 12 2.801 3.754 6.944 1.00 0.00 N ATOM 141 CA GLY A 12 3.588 2.822 7.729 1.00 0.00 C ATOM 142 C GLY A 12 4.803 2.313 6.979 1.00 0.00 C ATOM 143 O GLY A 12 4.790 2.223 5.751 1.00 0.00 O ATOM 0 H GLY A 12 3.259 4.096 6.099 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.911 3.309 8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.963 1.977 8.018 1.00 0.00 H new ATOM 147 N TYR A 13 5.856 1.983 7.718 1.00 0.00 N ATOM 148 CA TYR A 13 7.087 1.485 7.114 1.00 0.00 C ATOM 149 C TYR A 13 6.946 0.018 6.721 1.00 0.00 C ATOM 150 O TYR A 13 6.195 -0.735 7.343 1.00 0.00 O ATOM 151 CB TYR A 13 8.259 1.655 8.082 1.00 0.00 C ATOM 152 CG TYR A 13 8.765 3.077 8.177 1.00 0.00 C ATOM 153 CD1 TYR A 13 8.208 3.974 9.079 1.00 0.00 C ATOM 154 CD2 TYR A 13 9.799 3.523 7.363 1.00 0.00 C ATOM 155 CE1 TYR A 13 8.666 5.275 9.169 1.00 0.00 C ATOM 156 CE2 TYR A 13 10.265 4.821 7.447 1.00 0.00 C ATOM 157 CZ TYR A 13 9.695 5.693 8.351 1.00 0.00 C ATOM 158 OH TYR A 13 10.155 6.987 8.436 1.00 0.00 O ATOM 0 H TYR A 13 5.882 2.051 8.735 1.00 0.00 H new ATOM 0 HA TYR A 13 7.281 2.067 6.213 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.952 1.321 9.073 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.077 1.008 7.766 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.403 3.649 9.721 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.246 2.843 6.653 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.221 5.960 9.875 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.071 5.151 6.808 1.00 0.00 H new ATOM 0 HH TYR A 13 10.882 7.119 7.793 1.00 0.00 H new ATOM 168 N LEU A 14 7.675 -0.383 5.685 1.00 0.00 N ATOM 169 CA LEU A 14 7.634 -1.760 5.207 1.00 0.00 C ATOM 170 C LEU A 14 8.985 -2.181 4.640 1.00 0.00 C ATOM 171 O LEU A 14 9.888 -1.358 4.487 1.00 0.00 O ATOM 172 CB LEU A 14 6.548 -1.919 4.141 1.00 0.00 C ATOM 173 CG LEU A 14 5.108 -1.725 4.616 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.157 -1.674 3.430 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.708 -2.838 5.574 1.00 0.00 C ATOM 0 H LEU A 14 8.302 0.227 5.160 1.00 0.00 H new ATOM 0 HA LEU A 14 7.400 -2.405 6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.745 -1.205 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.635 -2.915 3.708 1.00 0.00 H new ATOM 0 HG LEU A 14 5.046 -0.775 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.137 -1.535 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.430 -0.842 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.222 -2.608 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.680 -2.684 5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.787 -3.800 5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.370 -2.828 6.440 1.00 0.00 H new ATOM 187 N SER A 15 9.117 -3.466 4.327 1.00 0.00 N ATOM 188 CA SER A 15 10.359 -3.996 3.778 1.00 0.00 C ATOM 189 C SER A 15 10.168 -4.435 2.329 1.00 0.00 C ATOM 190 O SER A 15 9.458 -5.401 2.049 1.00 0.00 O ATOM 191 CB SER A 15 10.851 -5.175 4.619 1.00 0.00 C ATOM 192 OG SER A 15 11.698 -4.736 5.667 1.00 0.00 O ATOM 0 H SER A 15 8.378 -4.160 4.444 1.00 0.00 H new ATOM 0 HA SER A 15 11.107 -3.203 3.804 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.997 -5.709 5.037 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.388 -5.880 3.984 1.00 0.00 H new ATOM 0 HG SER A 15 12.123 -5.511 6.090 1.00 0.00 H new ATOM 198 N LYS A 16 10.807 -3.718 1.411 1.00 0.00 N ATOM 199 CA LYS A 16 10.711 -4.032 -0.009 1.00 0.00 C ATOM 200 C LYS A 16 11.709 -5.119 -0.395 1.00 0.00 C ATOM 201 O LYS A 16 12.916 -4.964 -0.204 1.00 0.00 O ATOM 202 CB LYS A 16 10.958 -2.776 -0.848 1.00 0.00 C ATOM 203 CG LYS A 16 10.368 -2.852 -2.246 1.00 0.00 C ATOM 204 CD LYS A 16 10.153 -1.468 -2.836 1.00 0.00 C ATOM 205 CE LYS A 16 9.192 -1.508 -4.014 1.00 0.00 C ATOM 206 NZ LYS A 16 9.891 -1.827 -5.289 1.00 0.00 N ATOM 0 H LYS A 16 11.398 -2.915 1.626 1.00 0.00 H new ATOM 0 HA LYS A 16 9.705 -4.401 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.535 -1.915 -0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.032 -2.606 -0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.033 -3.425 -2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.418 -3.386 -2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.762 -0.801 -2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.109 -1.056 -3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.419 -2.254 -3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.690 -0.545 -4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.246 -1.663 -6.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.728 -1.217 -5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.188 -2.824 -5.282 1.00 0.00 H new ATOM 220 N PHE A 17 11.199 -6.218 -0.941 1.00 0.00 N ATOM 221 CA PHE A 17 12.046 -7.330 -1.354 1.00 0.00 C ATOM 222 C PHE A 17 12.294 -7.295 -2.860 1.00 0.00 C ATOM 223 O PHE A 17 11.369 -7.451 -3.656 1.00 0.00 O ATOM 224 CB PHE A 17 11.403 -8.662 -0.963 1.00 0.00 C ATOM 225 CG PHE A 17 12.237 -9.859 -1.320 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.358 -10.186 -0.574 1.00 0.00 C ATOM 227 CD2 PHE A 17 11.901 -10.657 -2.401 1.00 0.00 C ATOM 228 CE1 PHE A 17 14.128 -11.286 -0.900 1.00 0.00 C ATOM 229 CE2 PHE A 17 12.667 -11.759 -2.733 1.00 0.00 C ATOM 230 CZ PHE A 17 13.781 -12.074 -1.981 1.00 0.00 C ATOM 0 H PHE A 17 10.203 -6.362 -1.108 1.00 0.00 H new ATOM 0 HA PHE A 17 13.004 -7.233 -0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 17 11.218 -8.665 0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.433 -8.746 -1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.633 -9.574 0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.030 -10.415 -2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 17 15.000 -11.530 -0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.394 -12.372 -3.579 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.381 -12.935 -2.237 1.00 0.00 H new ATOM 347 N TRP A 26 15.549 -7.969 1.184 1.00 0.00 N ATOM 348 CA TRP A 26 14.674 -6.966 1.781 1.00 0.00 C ATOM 349 C TRP A 26 15.391 -5.628 1.915 1.00 0.00 C ATOM 350 O TRP A 26 16.615 -5.578 2.045 1.00 0.00 O ATOM 351 CB TRP A 26 14.187 -7.437 3.153 1.00 0.00 C ATOM 352 CG TRP A 26 13.349 -8.678 3.092 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.746 -9.950 3.391 1.00 0.00 C ATOM 354 CD2 TRP A 26 11.973 -8.765 2.707 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.699 -10.823 3.214 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.600 -10.120 2.796 1.00 0.00 C ATOM 357 CE3 TRP A 26 11.019 -7.830 2.298 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.315 -10.560 2.490 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.744 -8.268 1.994 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.401 -9.623 2.091 1.00 0.00 C ATOM 0 HA TRP A 26 13.815 -6.832 1.124 1.00 0.00 H new ATOM 0 HB2 TRP A 26 15.050 -7.621 3.793 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.609 -6.639 3.619 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.737 -10.229 3.718 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.735 -11.831 3.369 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.273 -6.783 2.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.049 -11.604 2.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.999 -7.553 1.676 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.396 -9.934 1.846 1.00 0.00 H new ATOM 371 N LYS A 27 14.623 -4.544 1.882 1.00 0.00 N ATOM 372 CA LYS A 27 15.185 -3.204 2.001 1.00 0.00 C ATOM 373 C LYS A 27 14.236 -2.281 2.758 1.00 0.00 C ATOM 374 O LYS A 27 13.040 -2.234 2.471 1.00 0.00 O ATOM 375 CB LYS A 27 15.477 -2.626 0.614 1.00 0.00 C ATOM 376 CG LYS A 27 16.870 -2.948 0.101 1.00 0.00 C ATOM 377 CD LYS A 27 17.922 -2.067 0.755 1.00 0.00 C ATOM 378 CE LYS A 27 19.282 -2.747 0.776 1.00 0.00 C ATOM 379 NZ LYS A 27 19.337 -3.846 1.779 1.00 0.00 N ATOM 0 H LYS A 27 13.609 -4.568 1.774 1.00 0.00 H new ATOM 0 HA LYS A 27 16.117 -3.277 2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.741 -3.010 -0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.352 -1.544 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.098 -3.996 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.901 -2.812 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.994 -1.123 0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.617 -1.829 1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.503 -3.147 -0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 27 20.053 -2.010 1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.865 -4.650 1.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.814 -3.508 2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.371 -4.149 2.016 1.00 0.00 H new ATOM 393 N SER A 28 14.777 -1.547 3.726 1.00 0.00 N ATOM 394 CA SER A 28 13.977 -0.627 4.526 1.00 0.00 C ATOM 395 C SER A 28 13.445 0.517 3.669 1.00 0.00 C ATOM 396 O SER A 28 14.215 1.273 3.076 1.00 0.00 O ATOM 397 CB SER A 28 14.809 -0.069 5.683 1.00 0.00 C ATOM 398 OG SER A 28 15.103 -1.079 6.633 1.00 0.00 O ATOM 0 H SER A 28 15.766 -1.572 3.975 1.00 0.00 H new ATOM 0 HA SER A 28 13.129 -1.179 4.931 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.737 0.353 5.297 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.266 0.743 6.167 1.00 0.00 H new ATOM 0 HG SER A 28 15.637 -0.698 7.361 1.00 0.00 H new ATOM 404 N ARG A 29 12.123 0.637 3.608 1.00 0.00 N ATOM 405 CA ARG A 29 11.487 1.688 2.823 1.00 0.00 C ATOM 406 C ARG A 29 10.227 2.198 3.517 1.00 0.00 C ATOM 407 O ARG A 29 9.596 1.476 4.288 1.00 0.00 O ATOM 408 CB ARG A 29 11.138 1.170 1.426 1.00 0.00 C ATOM 409 CG ARG A 29 12.324 0.579 0.682 1.00 0.00 C ATOM 410 CD ARG A 29 13.181 1.663 0.048 1.00 0.00 C ATOM 411 NE ARG A 29 14.494 1.162 -0.349 1.00 0.00 N ATOM 412 CZ ARG A 29 15.551 1.943 -0.540 1.00 0.00 C ATOM 413 NH1 ARG A 29 15.450 3.254 -0.372 1.00 0.00 N ATOM 414 NH2 ARG A 29 16.713 1.412 -0.900 1.00 0.00 N ATOM 0 H ARG A 29 11.472 0.020 4.093 1.00 0.00 H new ATOM 0 HA ARG A 29 12.191 2.515 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.360 0.412 1.513 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.722 1.988 0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.930 -0.009 1.371 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.967 -0.102 -0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.668 2.066 -0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.305 2.485 0.753 1.00 0.00 H new ATOM 0 HE ARG A 29 14.605 0.158 -0.487 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.559 3.666 -0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.264 3.851 -0.519 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.794 0.404 -1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.524 2.012 -1.047 1.00 0.00 H new ATOM 428 N TRP A 30 9.869 3.446 3.238 1.00 0.00 N ATOM 429 CA TRP A 30 8.686 4.053 3.836 1.00 0.00 C ATOM 430 C TRP A 30 7.527 4.080 2.844 1.00 0.00 C ATOM 431 O TRP A 30 7.675 4.546 1.715 1.00 0.00 O ATOM 432 CB TRP A 30 9.000 5.473 4.309 1.00 0.00 C ATOM 433 CG TRP A 30 7.779 6.323 4.491 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.334 7.308 3.656 1.00 0.00 C ATOM 435 CD2 TRP A 30 6.846 6.263 5.576 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.182 7.865 4.157 1.00 0.00 N ATOM 437 CE2 TRP A 30 5.861 7.241 5.333 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.747 5.478 6.728 1.00 0.00 C ATOM 439 CZ2 TRP A 30 4.794 7.452 6.201 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.686 5.690 7.588 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.721 6.669 7.321 1.00 0.00 C ATOM 0 H TRP A 30 10.381 4.057 2.602 1.00 0.00 H new ATOM 0 HA TRP A 30 8.392 3.448 4.694 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.542 5.422 5.253 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.662 5.951 3.587 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.817 7.605 2.737 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.652 8.621 3.723 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.486 4.720 6.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.049 8.207 5.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.600 5.090 8.482 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.903 6.809 8.012 1.00 0.00 H new ATOM 452 N PHE A 31 6.375 3.576 3.274 1.00 0.00 N ATOM 453 CA PHE A 31 5.191 3.541 2.423 1.00 0.00 C ATOM 454 C PHE A 31 4.071 4.391 3.015 1.00 0.00 C ATOM 455 O PHE A 31 3.768 4.298 4.205 1.00 0.00 O ATOM 456 CB PHE A 31 4.711 2.100 2.239 1.00 0.00 C ATOM 457 CG PHE A 31 5.599 1.282 1.347 1.00 0.00 C ATOM 458 CD1 PHE A 31 6.796 0.768 1.820 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.238 1.026 0.034 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.615 0.015 1.000 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.053 0.273 -0.791 1.00 0.00 C ATOM 462 CZ PHE A 31 7.243 -0.234 -0.306 1.00 0.00 C ATOM 0 H PHE A 31 6.236 3.186 4.206 1.00 0.00 H new ATOM 0 HA PHE A 31 5.461 3.953 1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.648 1.619 3.215 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.703 2.111 1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.092 0.958 2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.308 1.420 -0.350 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.546 -0.379 1.381 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.760 0.082 -1.813 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.881 -0.824 -0.947 1.00 0.00 H new ATOM 472 N PHE A 32 3.459 5.220 2.176 1.00 0.00 N ATOM 473 CA PHE A 32 2.373 6.089 2.616 1.00 0.00 C ATOM 474 C PHE A 32 1.321 6.241 1.520 1.00 0.00 C ATOM 475 O PHE A 32 1.643 6.567 0.377 1.00 0.00 O ATOM 476 CB PHE A 32 2.918 7.463 3.010 1.00 0.00 C ATOM 477 CG PHE A 32 3.202 8.355 1.836 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.168 8.980 1.158 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.503 8.568 1.409 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.426 9.802 0.076 1.00 0.00 C ATOM 481 CE2 PHE A 32 4.767 9.389 0.329 1.00 0.00 C ATOM 482 CZ PHE A 32 3.727 10.006 -0.339 1.00 0.00 C ATOM 0 H PHE A 32 3.696 5.309 1.188 1.00 0.00 H new ATOM 0 HA PHE A 32 1.903 5.630 3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.199 7.956 3.665 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.834 7.330 3.585 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.148 8.824 1.478 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.320 8.087 1.926 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.611 10.284 -0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.786 9.548 0.007 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.931 10.647 -1.184 1.00 0.00 H new ATOM 492 N TYR A 33 0.065 6.003 1.878 1.00 0.00 N ATOM 493 CA TYR A 33 -1.034 6.111 0.926 1.00 0.00 C ATOM 494 C TYR A 33 -1.380 7.572 0.656 1.00 0.00 C ATOM 495 O TYR A 33 -1.249 8.425 1.534 1.00 0.00 O ATOM 496 CB TYR A 33 -2.267 5.373 1.452 1.00 0.00 C ATOM 497 CG TYR A 33 -3.503 5.580 0.607 1.00 0.00 C ATOM 498 CD1 TYR A 33 -3.796 4.731 -0.452 1.00 0.00 C ATOM 499 CD2 TYR A 33 -4.380 6.626 0.870 1.00 0.00 C ATOM 500 CE1 TYR A 33 -4.924 4.917 -1.227 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.512 6.819 0.101 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.779 5.963 -0.946 1.00 0.00 C ATOM 503 OH TYR A 33 -6.905 6.151 -1.715 1.00 0.00 O ATOM 0 H TYR A 33 -0.218 5.734 2.820 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.716 5.653 -0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.047 4.307 1.504 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.473 5.706 2.469 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.130 3.910 -0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.173 7.299 1.689 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.136 4.248 -2.048 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.184 7.636 0.319 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.400 6.930 -1.385 1.00 0.00 H new ATOM 513 N ASP A 34 -1.823 7.852 -0.565 1.00 0.00 N ATOM 514 CA ASP A 34 -2.190 9.209 -0.952 1.00 0.00 C ATOM 515 C ASP A 34 -3.660 9.281 -1.353 1.00 0.00 C ATOM 516 O ASP A 34 -4.051 8.778 -2.406 1.00 0.00 O ATOM 517 CB ASP A 34 -1.309 9.688 -2.107 1.00 0.00 C ATOM 518 CG ASP A 34 -1.223 11.200 -2.180 1.00 0.00 C ATOM 519 OD1 ASP A 34 -1.251 11.848 -1.113 1.00 0.00 O ATOM 520 OD2 ASP A 34 -1.128 11.736 -3.305 1.00 0.00 O ATOM 0 H ASP A 34 -1.937 7.157 -1.303 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.035 9.861 -0.092 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.307 9.275 -1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.706 9.304 -3.047 1.00 0.00 H new ATOM 525 N GLU A 35 -4.470 9.909 -0.506 1.00 0.00 N ATOM 526 CA GLU A 35 -5.897 10.044 -0.773 1.00 0.00 C ATOM 527 C GLU A 35 -6.150 11.076 -1.868 1.00 0.00 C ATOM 528 O GLU A 35 -7.278 11.238 -2.334 1.00 0.00 O ATOM 529 CB GLU A 35 -6.641 10.446 0.503 1.00 0.00 C ATOM 530 CG GLU A 35 -6.127 11.732 1.128 1.00 0.00 C ATOM 531 CD GLU A 35 -6.967 12.183 2.307 1.00 0.00 C ATOM 532 OE1 GLU A 35 -6.971 11.480 3.338 1.00 0.00 O ATOM 533 OE2 GLU A 35 -7.621 13.242 2.197 1.00 0.00 O ATOM 0 H GLU A 35 -4.162 10.332 0.370 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.270 9.078 -1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.701 10.561 0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.558 9.639 1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.097 11.587 1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.114 12.519 0.374 1.00 0.00 H new ATOM 540 N ARG A 36 -5.093 11.772 -2.273 1.00 0.00 N ATOM 541 CA ARG A 36 -5.201 12.789 -3.312 1.00 0.00 C ATOM 542 C ARG A 36 -5.360 12.147 -4.687 1.00 0.00 C ATOM 543 O ARG A 36 -6.213 12.551 -5.478 1.00 0.00 O ATOM 544 CB ARG A 36 -3.967 13.694 -3.300 1.00 0.00 C ATOM 545 CG ARG A 36 -4.098 14.890 -2.371 1.00 0.00 C ATOM 546 CD ARG A 36 -4.620 16.113 -3.109 1.00 0.00 C ATOM 547 NE ARG A 36 -4.499 17.328 -2.307 1.00 0.00 N ATOM 548 CZ ARG A 36 -5.201 18.433 -2.536 1.00 0.00 C ATOM 549 NH1 ARG A 36 -6.069 18.474 -3.537 1.00 0.00 N ATOM 550 NH2 ARG A 36 -5.035 19.498 -1.763 1.00 0.00 N ATOM 0 H ARG A 36 -4.152 11.650 -1.898 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.087 13.390 -3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.099 13.106 -3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.778 14.050 -4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.772 14.643 -1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.128 15.117 -1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.068 16.237 -4.041 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.665 15.957 -3.376 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.840 17.328 -1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.199 17.657 -4.133 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.607 19.323 -3.711 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.368 19.469 -0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.574 20.346 -1.940 1.00 0.00 H new ATOM 564 N LYS A 37 -4.533 11.146 -4.966 1.00 0.00 N ATOM 565 CA LYS A 37 -4.581 10.446 -6.245 1.00 0.00 C ATOM 566 C LYS A 37 -4.907 8.970 -6.045 1.00 0.00 C ATOM 567 O LYS A 37 -4.655 8.145 -6.925 1.00 0.00 O ATOM 568 CB LYS A 37 -3.246 10.591 -6.979 1.00 0.00 C ATOM 569 CG LYS A 37 -2.674 11.997 -6.931 1.00 0.00 C ATOM 570 CD LYS A 37 -1.544 12.174 -7.931 1.00 0.00 C ATOM 571 CE LYS A 37 -0.577 13.263 -7.492 1.00 0.00 C ATOM 572 NZ LYS A 37 0.424 12.754 -6.514 1.00 0.00 N ATOM 0 H LYS A 37 -3.820 10.800 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.370 10.895 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.525 9.900 -6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.380 10.298 -8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.463 12.719 -7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.308 12.208 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.006 11.233 -8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.957 12.425 -8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.061 13.664 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.135 14.086 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.305 13.300 -6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.049 12.856 -5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.618 11.750 -6.706 1.00 0.00 H new ATOM 586 N CYS A 38 -5.468 8.644 -4.886 1.00 0.00 N ATOM 587 CA CYS A 38 -5.829 7.266 -4.572 1.00 0.00 C ATOM 588 C CYS A 38 -4.691 6.312 -4.924 1.00 0.00 C ATOM 589 O CYS A 38 -4.926 5.189 -5.370 1.00 0.00 O ATOM 590 CB CYS A 38 -7.098 6.865 -5.325 1.00 0.00 C ATOM 591 SG CYS A 38 -6.815 6.383 -7.045 1.00 0.00 S ATOM 0 H CYS A 38 -5.683 9.315 -4.148 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.016 7.201 -3.500 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.572 6.036 -4.800 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.799 7.699 -5.303 1.00 0.00 H new ATOM 0 HG CYS A 38 -5.742 6.968 -7.489 1.00 0.00 H new ATOM 597 N GLN A 39 -3.459 6.769 -4.722 1.00 0.00 N ATOM 598 CA GLN A 39 -2.286 5.957 -5.020 1.00 0.00 C ATOM 599 C GLN A 39 -1.402 5.803 -3.787 1.00 0.00 C ATOM 600 O GLN A 39 -1.428 6.640 -2.883 1.00 0.00 O ATOM 601 CB GLN A 39 -1.483 6.582 -6.163 1.00 0.00 C ATOM 602 CG GLN A 39 -1.918 6.111 -7.541 1.00 0.00 C ATOM 603 CD GLN A 39 -0.994 6.594 -8.641 1.00 0.00 C ATOM 604 OE1 GLN A 39 -0.472 7.708 -8.585 1.00 0.00 O ATOM 605 NE2 GLN A 39 -0.786 5.757 -9.651 1.00 0.00 N ATOM 0 H GLN A 39 -3.248 7.696 -4.354 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.629 4.968 -5.324 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.578 7.667 -6.112 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.427 6.348 -6.025 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.954 5.022 -7.554 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.929 6.466 -7.739 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.239 4.843 -9.657 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.173 6.028 -10.420 1.00 0.00 H new ATOM 614 N LEU A 40 -0.621 4.729 -3.755 1.00 0.00 N ATOM 615 CA LEU A 40 0.272 4.466 -2.631 1.00 0.00 C ATOM 616 C LEU A 40 1.707 4.850 -2.974 1.00 0.00 C ATOM 617 O LEU A 40 2.377 4.163 -3.746 1.00 0.00 O ATOM 618 CB LEU A 40 0.207 2.988 -2.239 1.00 0.00 C ATOM 619 CG LEU A 40 1.159 2.547 -1.127 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.685 3.070 0.220 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.280 1.030 -1.099 1.00 0.00 C ATOM 0 H LEU A 40 -0.588 4.026 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.055 5.075 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.813 2.759 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.413 2.388 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 40 2.144 2.967 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.375 2.746 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.650 4.159 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.311 2.680 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.962 0.734 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.299 0.590 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.666 0.678 -2.056 1.00 0.00 H new ATOM 633 N TYR A 41 2.174 5.951 -2.395 1.00 0.00 N ATOM 634 CA TYR A 41 3.530 6.427 -2.639 1.00 0.00 C ATOM 635 C TYR A 41 4.467 6.005 -1.511 1.00 0.00 C ATOM 636 O TYR A 41 4.103 6.051 -0.336 1.00 0.00 O ATOM 637 CB TYR A 41 3.540 7.950 -2.782 1.00 0.00 C ATOM 638 CG TYR A 41 2.805 8.448 -4.006 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.416 8.477 -4.043 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.499 8.890 -5.126 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.740 8.930 -5.159 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.832 9.346 -6.246 1.00 0.00 C ATOM 643 CZ TYR A 41 1.452 9.364 -6.258 1.00 0.00 C ATOM 644 OH TYR A 41 0.783 9.817 -7.372 1.00 0.00 O ATOM 0 H TYR A 41 1.633 6.530 -1.753 1.00 0.00 H new ATOM 0 HA TYR A 41 3.884 5.979 -3.568 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.090 8.393 -1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.573 8.296 -2.823 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.855 8.139 -3.184 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.579 8.877 -5.120 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.340 8.944 -5.171 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.387 9.687 -7.108 1.00 0.00 H new ATOM 0 HH TYR A 41 0.454 9.053 -7.889 1.00 0.00 H new ATOM 654 N TYR A 42 5.676 5.594 -1.878 1.00 0.00 N ATOM 655 CA TYR A 42 6.666 5.162 -0.899 1.00 0.00 C ATOM 656 C TYR A 42 8.015 5.823 -1.161 1.00 0.00 C ATOM 657 O TYR A 42 8.460 5.922 -2.305 1.00 0.00 O ATOM 658 CB TYR A 42 6.816 3.640 -0.933 1.00 0.00 C ATOM 659 CG TYR A 42 7.346 3.112 -2.247 1.00 0.00 C ATOM 660 CD1 TYR A 42 6.488 2.833 -3.303 1.00 0.00 C ATOM 661 CD2 TYR A 42 8.706 2.895 -2.432 1.00 0.00 C ATOM 662 CE1 TYR A 42 6.969 2.350 -4.505 1.00 0.00 C ATOM 663 CE2 TYR A 42 9.196 2.414 -3.631 1.00 0.00 C ATOM 664 CZ TYR A 42 8.323 2.142 -4.664 1.00 0.00 C ATOM 665 OH TYR A 42 8.806 1.663 -5.860 1.00 0.00 O ATOM 0 H TYR A 42 5.994 5.551 -2.846 1.00 0.00 H new ATOM 0 HA TYR A 42 6.319 5.465 0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.486 3.332 -0.131 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.847 3.183 -0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.427 2.996 -3.183 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.392 3.106 -1.625 1.00 0.00 H new ATOM 0 HE1 TYR A 42 6.288 2.137 -5.316 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.256 2.252 -3.759 1.00 0.00 H new ATOM 0 HH TYR A 42 9.781 1.574 -5.807 1.00 0.00 H new ATOM 675 N SER A 43 8.663 6.274 -0.092 1.00 0.00 N ATOM 676 CA SER A 43 9.961 6.930 -0.204 1.00 0.00 C ATOM 677 C SER A 43 10.959 6.331 0.782 1.00 0.00 C ATOM 678 O SER A 43 10.628 5.419 1.540 1.00 0.00 O ATOM 679 CB SER A 43 9.820 8.433 0.045 1.00 0.00 C ATOM 680 OG SER A 43 9.095 8.687 1.235 1.00 0.00 O ATOM 0 H SER A 43 8.310 6.197 0.862 1.00 0.00 H new ATOM 0 HA SER A 43 10.335 6.770 -1.215 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.808 8.888 0.114 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.313 8.899 -0.800 1.00 0.00 H new ATOM 0 HG SER A 43 9.628 8.407 2.009 1.00 0.00 H new ATOM 686 N ARG A 44 12.182 6.850 0.765 1.00 0.00 N ATOM 687 CA ARG A 44 13.230 6.366 1.656 1.00 0.00 C ATOM 688 C ARG A 44 12.899 6.688 3.110 1.00 0.00 C ATOM 689 O ARG A 44 13.307 5.972 4.025 1.00 0.00 O ATOM 690 CB ARG A 44 14.577 6.987 1.278 1.00 0.00 C ATOM 691 CG ARG A 44 15.055 6.605 -0.113 1.00 0.00 C ATOM 692 CD ARG A 44 16.275 7.414 -0.524 1.00 0.00 C ATOM 693 NE ARG A 44 17.138 6.675 -1.442 1.00 0.00 N ATOM 694 CZ ARG A 44 18.064 7.248 -2.203 1.00 0.00 C ATOM 695 NH1 ARG A 44 18.245 8.561 -2.156 1.00 0.00 N ATOM 696 NH2 ARG A 44 18.810 6.508 -3.013 1.00 0.00 N ATOM 0 H ARG A 44 12.472 7.606 0.144 1.00 0.00 H new ATOM 0 HA ARG A 44 13.293 5.283 1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.497 8.072 1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.326 6.680 2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.297 5.542 -0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.252 6.765 -0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.952 8.341 -0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.843 7.690 0.364 1.00 0.00 H new ATOM 0 HE ARG A 44 17.023 5.663 -1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.673 9.133 -1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.957 8.999 -2.741 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.673 5.498 -3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.521 6.949 -3.597 1.00 0.00 H new ATOM 710 N THR A 45 12.157 7.772 3.316 1.00 0.00 N ATOM 711 CA THR A 45 11.773 8.190 4.658 1.00 0.00 C ATOM 712 C THR A 45 10.336 8.701 4.685 1.00 0.00 C ATOM 713 O THR A 45 9.631 8.650 3.678 1.00 0.00 O ATOM 714 CB THR A 45 12.707 9.292 5.193 1.00 0.00 C ATOM 715 OG1 THR A 45 12.396 10.543 4.569 1.00 0.00 O ATOM 716 CG2 THR A 45 14.164 8.939 4.934 1.00 0.00 C ATOM 0 H THR A 45 11.810 8.376 2.571 1.00 0.00 H new ATOM 0 HA THR A 45 11.856 7.311 5.298 1.00 0.00 H new ATOM 0 HB THR A 45 12.555 9.375 6.269 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.993 11.239 4.916 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.805 9.732 5.320 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.406 8.001 5.434 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.327 8.831 3.862 1.00 0.00 H new ATOM 787 N PRO A 51 8.191 11.647 -3.357 1.00 0.00 N ATOM 788 CA PRO A 51 8.065 10.189 -3.278 1.00 0.00 C ATOM 789 C PRO A 51 8.826 9.479 -4.392 1.00 0.00 C ATOM 790 O PRO A 51 8.828 9.927 -5.539 1.00 0.00 O ATOM 791 CB PRO A 51 6.559 9.955 -3.425 1.00 0.00 C ATOM 792 CG PRO A 51 6.063 11.142 -4.177 1.00 0.00 C ATOM 793 CD PRO A 51 6.928 12.295 -3.747 1.00 0.00 C ATOM 0 HA PRO A 51 8.484 9.794 -2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.353 9.030 -3.964 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.074 9.872 -2.452 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.134 10.980 -5.253 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.014 11.336 -3.953 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.076 13.010 -4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.484 12.842 -2.916 1.00 0.00 H new ATOM 801 N LEU A 52 9.471 8.370 -4.048 1.00 0.00 N ATOM 802 CA LEU A 52 10.236 7.597 -5.020 1.00 0.00 C ATOM 803 C LEU A 52 9.334 7.082 -6.138 1.00 0.00 C ATOM 804 O LEU A 52 9.548 7.385 -7.311 1.00 0.00 O ATOM 805 CB LEU A 52 10.935 6.423 -4.332 1.00 0.00 C ATOM 806 CG LEU A 52 11.940 6.788 -3.239 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.235 5.582 -2.361 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.223 7.330 -3.854 1.00 0.00 C ATOM 0 H LEU A 52 9.480 7.986 -3.103 1.00 0.00 H new ATOM 0 HA LEU A 52 10.988 8.253 -5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.173 5.777 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.452 5.838 -5.092 1.00 0.00 H new ATOM 0 HG LEU A 52 11.503 7.567 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 52 12.952 5.861 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.313 5.239 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.652 4.781 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.927 7.585 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.664 6.573 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.998 8.221 -4.439 1.00 0.00 H new ATOM 820 N ASP A 53 8.324 6.304 -5.764 1.00 0.00 N ATOM 821 CA ASP A 53 7.387 5.749 -6.734 1.00 0.00 C ATOM 822 C ASP A 53 6.016 5.532 -6.102 1.00 0.00 C ATOM 823 O ASP A 53 5.858 5.636 -4.886 1.00 0.00 O ATOM 824 CB ASP A 53 7.920 4.429 -7.293 1.00 0.00 C ATOM 825 CG ASP A 53 8.912 4.636 -8.421 1.00 0.00 C ATOM 826 OD1 ASP A 53 8.522 5.220 -9.454 1.00 0.00 O ATOM 827 OD2 ASP A 53 10.078 4.214 -8.271 1.00 0.00 O ATOM 0 H ASP A 53 8.133 6.043 -4.796 1.00 0.00 H new ATOM 0 HA ASP A 53 7.282 6.463 -7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.398 3.865 -6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.086 3.827 -7.653 1.00 0.00 H new ATOM 832 N SER A 54 5.026 5.231 -6.937 1.00 0.00 N ATOM 833 CA SER A 54 3.667 5.004 -6.461 1.00 0.00 C ATOM 834 C SER A 54 3.109 3.695 -7.012 1.00 0.00 C ATOM 835 O SER A 54 3.637 3.141 -7.977 1.00 0.00 O ATOM 836 CB SER A 54 2.760 6.168 -6.865 1.00 0.00 C ATOM 837 OG SER A 54 2.195 5.953 -8.147 1.00 0.00 O ATOM 0 H SER A 54 5.140 5.139 -7.946 1.00 0.00 H new ATOM 0 HA SER A 54 3.697 4.937 -5.373 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.965 6.286 -6.129 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.333 7.096 -6.867 1.00 0.00 H new ATOM 0 HG SER A 54 1.683 6.744 -8.416 1.00 0.00 H new ATOM 843 N ILE A 55 2.040 3.207 -6.392 1.00 0.00 N ATOM 844 CA ILE A 55 1.410 1.964 -6.821 1.00 0.00 C ATOM 845 C ILE A 55 -0.102 2.124 -6.932 1.00 0.00 C ATOM 846 O ILE A 55 -0.790 2.328 -5.931 1.00 0.00 O ATOM 847 CB ILE A 55 1.724 0.810 -5.851 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.236 0.614 -5.729 1.00 0.00 C ATOM 849 CG2 ILE A 55 1.054 -0.473 -6.320 1.00 0.00 C ATOM 850 CD1 ILE A 55 3.865 1.435 -4.625 1.00 0.00 C ATOM 0 H ILE A 55 1.592 3.653 -5.591 1.00 0.00 H new ATOM 0 HA ILE A 55 1.820 1.724 -7.802 1.00 0.00 H new ATOM 0 HB ILE A 55 1.329 1.064 -4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.444 -0.441 -5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.706 0.875 -6.677 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.285 -1.280 -5.624 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.025 -0.326 -6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.421 -0.734 -7.313 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.938 1.246 -4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.688 2.494 -4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.423 1.158 -3.668 1.00 0.00 H new ATOM 862 N ASP A 56 -0.614 2.029 -8.154 1.00 0.00 N ATOM 863 CA ASP A 56 -2.046 2.160 -8.395 1.00 0.00 C ATOM 864 C ASP A 56 -2.816 1.025 -7.728 1.00 0.00 C ATOM 865 O ASP A 56 -2.882 -0.088 -8.252 1.00 0.00 O ATOM 866 CB ASP A 56 -2.333 2.173 -9.897 1.00 0.00 C ATOM 867 CG ASP A 56 -3.798 2.412 -10.205 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.411 3.273 -9.540 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.332 1.738 -11.111 1.00 0.00 O ATOM 0 H ASP A 56 -0.059 1.862 -8.993 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.377 3.104 -7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.734 2.950 -10.372 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.024 1.222 -10.331 1.00 0.00 H new ATOM 874 N LEU A 57 -3.397 1.312 -6.568 1.00 0.00 N ATOM 875 CA LEU A 57 -4.162 0.315 -5.827 1.00 0.00 C ATOM 876 C LEU A 57 -5.477 0.003 -6.534 1.00 0.00 C ATOM 877 O LEU A 57 -6.057 -1.066 -6.342 1.00 0.00 O ATOM 878 CB LEU A 57 -4.438 0.808 -4.406 1.00 0.00 C ATOM 879 CG LEU A 57 -3.208 1.128 -3.555 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.609 1.382 -2.110 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.194 -0.004 -3.638 1.00 0.00 C ATOM 0 H LEU A 57 -3.353 2.227 -6.120 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.571 -0.599 -5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.055 1.704 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.026 0.050 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.745 2.034 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.721 1.608 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.298 2.226 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.096 0.495 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.325 0.240 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.647 -0.926 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.883 -0.138 -4.674 1.00 0.00 H new ATOM 893 N SER A 58 -5.940 0.942 -7.352 1.00 0.00 N ATOM 894 CA SER A 58 -7.188 0.767 -8.087 1.00 0.00 C ATOM 895 C SER A 58 -7.206 -0.572 -8.817 1.00 0.00 C ATOM 896 O SER A 58 -8.257 -1.194 -8.971 1.00 0.00 O ATOM 897 CB SER A 58 -7.380 1.909 -9.087 1.00 0.00 C ATOM 898 OG SER A 58 -8.683 1.886 -9.643 1.00 0.00 O ATOM 0 H SER A 58 -5.471 1.831 -7.523 1.00 0.00 H new ATOM 0 HA SER A 58 -8.008 0.780 -7.369 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.210 2.864 -8.590 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.640 1.828 -9.883 1.00 0.00 H new ATOM 0 HG SER A 58 -8.781 2.626 -10.278 1.00 0.00 H new ATOM 904 N SER A 59 -6.034 -1.009 -9.266 1.00 0.00 N ATOM 905 CA SER A 59 -5.914 -2.273 -9.984 1.00 0.00 C ATOM 906 C SER A 59 -4.828 -3.149 -9.366 1.00 0.00 C ATOM 907 O SER A 59 -4.176 -3.929 -10.058 1.00 0.00 O ATOM 908 CB SER A 59 -5.599 -2.017 -11.460 1.00 0.00 C ATOM 909 OG SER A 59 -6.782 -1.760 -12.196 1.00 0.00 O ATOM 0 H SER A 59 -5.154 -0.507 -9.146 1.00 0.00 H new ATOM 0 HA SER A 59 -6.867 -2.797 -9.908 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.920 -1.169 -11.549 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.086 -2.881 -11.881 1.00 0.00 H new ATOM 0 HG SER A 59 -6.554 -1.598 -13.135 1.00 0.00 H new ATOM 915 N ALA A 60 -4.642 -3.012 -8.057 1.00 0.00 N ATOM 916 CA ALA A 60 -3.638 -3.792 -7.343 1.00 0.00 C ATOM 917 C ALA A 60 -4.290 -4.755 -6.357 1.00 0.00 C ATOM 918 O ALA A 60 -5.012 -4.338 -5.451 1.00 0.00 O ATOM 919 CB ALA A 60 -2.669 -2.868 -6.619 1.00 0.00 C ATOM 0 H ALA A 60 -5.173 -2.369 -7.470 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.084 -4.381 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.925 -3.463 -6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.170 -2.224 -7.343 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.217 -2.254 -5.904 1.00 0.00 H new ATOM 925 N VAL A 61 -4.031 -6.046 -6.539 1.00 0.00 N ATOM 926 CA VAL A 61 -4.593 -7.069 -5.665 1.00 0.00 C ATOM 927 C VAL A 61 -3.609 -7.452 -4.565 1.00 0.00 C ATOM 928 O VAL A 61 -2.484 -7.867 -4.840 1.00 0.00 O ATOM 929 CB VAL A 61 -4.979 -8.333 -6.456 1.00 0.00 C ATOM 930 CG1 VAL A 61 -3.970 -8.599 -7.562 1.00 0.00 C ATOM 931 CG2 VAL A 61 -5.090 -9.530 -5.524 1.00 0.00 C ATOM 0 H VAL A 61 -3.436 -6.408 -7.284 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.490 -6.643 -5.215 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.953 -8.170 -6.918 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.259 -9.496 -8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.945 -7.749 -8.244 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.982 -8.743 -7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.363 -10.415 -6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.132 -9.699 -5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.854 -9.336 -4.772 1.00 0.00 H new ATOM 941 N PHE A 62 -4.042 -7.310 -3.316 1.00 0.00 N ATOM 942 CA PHE A 62 -3.199 -7.640 -2.173 1.00 0.00 C ATOM 943 C PHE A 62 -3.298 -9.125 -1.836 1.00 0.00 C ATOM 944 O PHE A 62 -4.374 -9.630 -1.514 1.00 0.00 O ATOM 945 CB PHE A 62 -3.600 -6.802 -0.957 1.00 0.00 C ATOM 946 CG PHE A 62 -4.119 -5.439 -1.314 1.00 0.00 C ATOM 947 CD1 PHE A 62 -3.389 -4.599 -2.140 1.00 0.00 C ATOM 948 CD2 PHE A 62 -5.337 -4.996 -0.823 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.864 -3.344 -2.471 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.817 -3.742 -1.150 1.00 0.00 C ATOM 951 CZ PHE A 62 -5.079 -2.915 -1.974 1.00 0.00 C ATOM 0 H PHE A 62 -4.971 -6.969 -3.070 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.166 -7.413 -2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.364 -7.337 -0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.737 -6.693 -0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.437 -4.929 -2.530 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.918 -5.638 -0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.286 -2.700 -3.117 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.768 -3.409 -0.762 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.452 -1.934 -2.229 1.00 0.00 H new ATOM 961 N ASP A 63 -2.168 -9.819 -1.913 1.00 0.00 N ATOM 962 CA ASP A 63 -2.125 -11.247 -1.616 1.00 0.00 C ATOM 963 C ASP A 63 -1.187 -11.531 -0.448 1.00 0.00 C ATOM 964 O ASP A 63 -0.305 -10.729 -0.138 1.00 0.00 O ATOM 965 CB ASP A 63 -1.678 -12.033 -2.849 1.00 0.00 C ATOM 966 CG ASP A 63 -1.924 -13.522 -2.707 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.041 -13.972 -3.034 1.00 0.00 O ATOM 968 OD2 ASP A 63 -0.999 -14.237 -2.268 1.00 0.00 O ATOM 0 H ASP A 63 -1.269 -9.416 -2.179 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.129 -11.565 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.210 -11.662 -3.725 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.616 -11.858 -3.023 1.00 0.00 H new ATOM 973 N CYS A 64 -1.383 -12.675 0.197 1.00 0.00 N ATOM 974 CA CYS A 64 -0.555 -13.065 1.333 1.00 0.00 C ATOM 975 C CYS A 64 0.294 -14.286 0.994 1.00 0.00 C ATOM 976 O CYS A 64 -0.230 -15.374 0.758 1.00 0.00 O ATOM 977 CB CYS A 64 -1.431 -13.360 2.552 1.00 0.00 C ATOM 978 SG CYS A 64 -2.693 -12.107 2.874 1.00 0.00 S ATOM 0 H CYS A 64 -2.108 -13.349 -0.047 1.00 0.00 H new ATOM 0 HA CYS A 64 0.112 -12.235 1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.919 -14.324 2.410 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.793 -13.452 3.431 1.00 0.00 H new ATOM 0 HG CYS A 64 -3.384 -12.446 3.922 1.00 0.00 H new ATOM 984 N LYS A 65 1.609 -14.097 0.970 1.00 0.00 N ATOM 985 CA LYS A 65 2.532 -15.182 0.659 1.00 0.00 C ATOM 986 C LYS A 65 2.188 -16.435 1.457 1.00 0.00 C ATOM 987 O LYS A 65 1.302 -16.415 2.311 1.00 0.00 O ATOM 988 CB LYS A 65 3.972 -14.755 0.956 1.00 0.00 C ATOM 989 CG LYS A 65 4.666 -14.094 -0.222 1.00 0.00 C ATOM 990 CD LYS A 65 5.247 -15.124 -1.176 1.00 0.00 C ATOM 991 CE LYS A 65 6.610 -15.611 -0.709 1.00 0.00 C ATOM 992 NZ LYS A 65 7.364 -16.283 -1.804 1.00 0.00 N ATOM 0 H LYS A 65 2.060 -13.202 1.162 1.00 0.00 H new ATOM 0 HA LYS A 65 2.439 -15.412 -0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.971 -14.065 1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.546 -15.630 1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.956 -13.462 -0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.462 -13.444 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.565 -15.971 -1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.336 -14.689 -2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.189 -14.767 -0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.483 -16.304 0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.287 -16.600 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.824 -17.104 -2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.508 -15.614 -2.587 1.00 0.00 H new ATOM 1006 N ALA A 66 2.893 -17.525 1.172 1.00 0.00 N ATOM 1007 CA ALA A 66 2.664 -18.786 1.866 1.00 0.00 C ATOM 1008 C ALA A 66 3.188 -18.729 3.297 1.00 0.00 C ATOM 1009 O ALA A 66 2.564 -19.256 4.218 1.00 0.00 O ATOM 1010 CB ALA A 66 3.318 -19.932 1.108 1.00 0.00 C ATOM 0 H ALA A 66 3.628 -17.560 0.465 1.00 0.00 H new ATOM 0 HA ALA A 66 1.589 -18.959 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.139 -20.868 1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.893 -19.995 0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.391 -19.755 1.036 1.00 0.00 H new ATOM 1016 N ASP A 67 4.337 -18.088 3.476 1.00 0.00 N ATOM 1017 CA ASP A 67 4.945 -17.962 4.795 1.00 0.00 C ATOM 1018 C ASP A 67 4.371 -16.764 5.546 1.00 0.00 C ATOM 1019 O ASP A 67 5.082 -16.084 6.286 1.00 0.00 O ATOM 1020 CB ASP A 67 6.463 -17.821 4.670 1.00 0.00 C ATOM 1021 CG ASP A 67 7.142 -19.136 4.342 1.00 0.00 C ATOM 1022 OD1 ASP A 67 6.870 -20.134 5.042 1.00 0.00 O ATOM 1023 OD2 ASP A 67 7.945 -19.168 3.386 1.00 0.00 O ATOM 0 H ASP A 67 4.867 -17.647 2.724 1.00 0.00 H new ATOM 0 HA ASP A 67 4.717 -18.866 5.360 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.694 -17.092 3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.867 -17.430 5.604 1.00 0.00 H new ATOM 1028 N ALA A 68 3.081 -16.512 5.349 1.00 0.00 N ATOM 1029 CA ALA A 68 2.412 -15.398 6.008 1.00 0.00 C ATOM 1030 C ALA A 68 2.521 -15.511 7.525 1.00 0.00 C ATOM 1031 O ALA A 68 2.362 -14.524 8.243 1.00 0.00 O ATOM 1032 CB ALA A 68 0.951 -15.335 5.585 1.00 0.00 C ATOM 0 H ALA A 68 2.479 -17.064 4.738 1.00 0.00 H new ATOM 0 HA ALA A 68 2.908 -14.477 5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.463 -14.498 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.890 -15.198 4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.452 -16.264 5.862 1.00 0.00 H new ATOM 1038 N GLU A 69 2.792 -16.720 8.006 1.00 0.00 N ATOM 1039 CA GLU A 69 2.921 -16.961 9.438 1.00 0.00 C ATOM 1040 C GLU A 69 3.747 -15.863 10.102 1.00 0.00 C ATOM 1041 O GLU A 69 3.547 -15.545 11.274 1.00 0.00 O ATOM 1042 CB GLU A 69 3.566 -18.325 9.693 1.00 0.00 C ATOM 1043 CG GLU A 69 4.975 -18.444 9.137 1.00 0.00 C ATOM 1044 CD GLU A 69 5.828 -19.426 9.918 1.00 0.00 C ATOM 1045 OE1 GLU A 69 5.295 -20.476 10.331 1.00 0.00 O ATOM 1046 OE2 GLU A 69 7.029 -19.143 10.115 1.00 0.00 O ATOM 0 H GLU A 69 2.926 -17.548 7.425 1.00 0.00 H new ATOM 0 HA GLU A 69 1.922 -16.954 9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.591 -18.511 10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.942 -19.101 9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.925 -18.760 8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.451 -17.464 9.150 1.00 0.00 H new ATOM 1053 N GLU A 70 4.675 -15.289 9.344 1.00 0.00 N ATOM 1054 CA GLU A 70 5.533 -14.228 9.860 1.00 0.00 C ATOM 1055 C GLU A 70 4.904 -12.857 9.624 1.00 0.00 C ATOM 1056 O GLU A 70 5.083 -11.935 10.418 1.00 0.00 O ATOM 1057 CB GLU A 70 6.912 -14.289 9.200 1.00 0.00 C ATOM 1058 CG GLU A 70 7.712 -13.006 9.341 1.00 0.00 C ATOM 1059 CD GLU A 70 9.209 -13.246 9.315 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.690 -13.898 8.365 1.00 0.00 O ATOM 1061 OE2 GLU A 70 9.900 -12.780 10.245 1.00 0.00 O ATOM 0 H GLU A 70 4.852 -15.540 8.371 1.00 0.00 H new ATOM 0 HA GLU A 70 5.646 -14.377 10.934 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.479 -15.111 9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.789 -14.516 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.443 -12.324 8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.443 -12.515 10.276 1.00 0.00 H new ATOM 1068 N GLY A 71 4.168 -12.732 8.524 1.00 0.00 N ATOM 1069 CA GLY A 71 3.525 -11.472 8.201 1.00 0.00 C ATOM 1070 C GLY A 71 4.048 -10.867 6.913 1.00 0.00 C ATOM 1071 O GLY A 71 4.527 -9.733 6.902 1.00 0.00 O ATOM 0 H GLY A 71 4.006 -13.481 7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.450 -11.628 8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.681 -10.768 9.019 1.00 0.00 H new ATOM 1075 N ILE A 72 3.956 -11.625 5.826 1.00 0.00 N ATOM 1076 CA ILE A 72 4.425 -11.157 4.527 1.00 0.00 C ATOM 1077 C ILE A 72 3.297 -11.163 3.501 1.00 0.00 C ATOM 1078 O ILE A 72 2.472 -12.077 3.475 1.00 0.00 O ATOM 1079 CB ILE A 72 5.586 -12.022 4.003 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.626 -12.241 5.104 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.225 -11.368 2.786 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.205 -13.262 6.137 1.00 0.00 C ATOM 0 H ILE A 72 3.561 -12.565 5.818 1.00 0.00 H new ATOM 0 HA ILE A 72 4.779 -10.136 4.668 1.00 0.00 H new ATOM 0 HB ILE A 72 5.191 -12.993 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.563 -12.561 4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.822 -11.291 5.602 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.044 -11.991 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.480 -11.259 1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.609 -10.386 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.990 -13.366 6.886 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.284 -12.934 6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.037 -14.223 5.651 1.00 0.00 H new ATOM 1094 N PHE A 73 3.268 -10.139 2.655 1.00 0.00 N ATOM 1095 CA PHE A 73 2.242 -10.026 1.625 1.00 0.00 C ATOM 1096 C PHE A 73 2.852 -9.594 0.295 1.00 0.00 C ATOM 1097 O PHE A 73 4.060 -9.385 0.194 1.00 0.00 O ATOM 1098 CB PHE A 73 1.166 -9.027 2.055 1.00 0.00 C ATOM 1099 CG PHE A 73 1.701 -7.651 2.329 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.293 -7.353 3.545 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.612 -6.655 1.370 1.00 0.00 C ATOM 1102 CE1 PHE A 73 2.786 -6.087 3.800 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.103 -5.387 1.619 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.691 -5.103 2.835 1.00 0.00 C ATOM 0 H PHE A 73 3.944 -9.375 2.662 1.00 0.00 H new ATOM 0 HA PHE A 73 1.785 -11.007 1.493 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.407 -8.964 1.275 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.672 -9.401 2.952 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.370 -8.119 4.303 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.154 -6.872 0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.245 -5.867 4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.027 -4.620 0.863 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.076 -4.113 3.032 1.00 0.00 H new ATOM 1114 N GLU A 74 2.006 -9.462 -0.722 1.00 0.00 N ATOM 1115 CA GLU A 74 2.462 -9.056 -2.046 1.00 0.00 C ATOM 1116 C GLU A 74 1.338 -8.376 -2.823 1.00 0.00 C ATOM 1117 O GLU A 74 0.226 -8.898 -2.911 1.00 0.00 O ATOM 1118 CB GLU A 74 2.976 -10.267 -2.826 1.00 0.00 C ATOM 1119 CG GLU A 74 4.425 -10.614 -2.527 1.00 0.00 C ATOM 1120 CD GLU A 74 4.892 -11.854 -3.263 1.00 0.00 C ATOM 1121 OE1 GLU A 74 4.190 -12.286 -4.201 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.959 -12.393 -2.901 1.00 0.00 O ATOM 0 H GLU A 74 1.002 -9.630 -0.654 1.00 0.00 H new ATOM 0 HA GLU A 74 3.276 -8.343 -1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.350 -11.129 -2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.871 -10.072 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.060 -9.772 -2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.544 -10.766 -1.454 1.00 0.00 H new ATOM 1129 N ILE A 75 1.637 -7.209 -3.385 1.00 0.00 N ATOM 1130 CA ILE A 75 0.653 -6.458 -4.155 1.00 0.00 C ATOM 1131 C ILE A 75 0.840 -6.682 -5.652 1.00 0.00 C ATOM 1132 O ILE A 75 1.781 -6.166 -6.255 1.00 0.00 O ATOM 1133 CB ILE A 75 0.738 -4.950 -3.858 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.476 -4.685 -2.373 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.253 -4.183 -4.721 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.421 -3.214 -2.023 1.00 0.00 C ATOM 0 H ILE A 75 2.552 -6.764 -3.321 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.329 -6.824 -3.855 1.00 0.00 H new ATOM 0 HB ILE A 75 1.743 -4.604 -4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.466 -5.153 -2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.259 -5.162 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.181 -3.118 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.025 -4.351 -5.774 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.264 -4.530 -4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.232 -3.101 -0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.372 -2.744 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.381 -2.736 -2.586 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.064 -7.452 -6.247 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.002 -7.742 -7.674 1.00 0.00 C ATOM 1150 C LYS A 76 -0.689 -6.645 -8.483 1.00 0.00 C ATOM 1151 O LYS A 76 -1.866 -6.351 -8.275 1.00 0.00 O ATOM 1152 CB LYS A 76 -0.657 -9.094 -7.970 1.00 0.00 C ATOM 1153 CG LYS A 76 0.322 -10.255 -7.974 1.00 0.00 C ATOM 1154 CD LYS A 76 -0.340 -11.544 -7.517 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.206 -11.737 -6.014 1.00 0.00 C ATOM 1156 NZ LYS A 76 -0.430 -13.154 -5.615 1.00 0.00 N ATOM 0 H LYS A 76 -0.849 -7.887 -5.762 1.00 0.00 H new ATOM 0 HA LYS A 76 1.048 -7.782 -7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.431 -9.284 -7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.153 -9.044 -8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.726 -10.388 -8.978 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.163 -10.025 -7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.395 -11.529 -7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.112 -12.390 -8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.788 -11.422 -5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.923 -11.097 -5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.057 -13.308 -4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.449 -13.361 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.059 -13.784 -6.282 1.00 0.00 H new ATOM 1170 N THR A 77 0.054 -6.044 -9.407 1.00 0.00 N ATOM 1171 CA THR A 77 -0.483 -4.981 -10.246 1.00 0.00 C ATOM 1172 C THR A 77 -0.193 -5.244 -11.720 1.00 0.00 C ATOM 1173 O THR A 77 0.764 -5.932 -12.076 1.00 0.00 O ATOM 1174 CB THR A 77 0.100 -3.609 -9.857 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.367 -3.417 -10.496 1.00 0.00 O ATOM 1176 CG2 THR A 77 0.265 -3.500 -8.349 1.00 0.00 C ATOM 0 H THR A 77 1.030 -6.276 -9.593 1.00 0.00 H new ATOM 0 HA THR A 77 -1.561 -4.968 -10.087 1.00 0.00 H new ATOM 0 HB THR A 77 -0.594 -2.836 -10.187 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.075 -3.805 -9.941 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.678 -2.523 -8.098 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.706 -3.618 -7.867 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.941 -4.280 -8.000 1.00 0.00 H new ATOM 1184 N PRO A 78 -1.038 -4.684 -12.599 1.00 0.00 N ATOM 1185 CA PRO A 78 -0.891 -4.844 -14.049 1.00 0.00 C ATOM 1186 C PRO A 78 0.324 -4.101 -14.594 1.00 0.00 C ATOM 1187 O PRO A 78 0.521 -4.021 -15.806 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.182 -4.238 -14.604 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.623 -3.267 -13.564 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.200 -3.852 -12.245 1.00 0.00 C ATOM 0 HA PRO A 78 -0.737 -5.885 -14.331 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.008 -3.743 -15.559 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.937 -5.005 -14.775 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.165 -2.291 -13.723 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.703 -3.122 -13.598 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.935 -3.076 -11.527 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.996 -4.444 -11.794 1.00 0.00 H new ATOM 1198 N SER A 79 1.136 -3.561 -13.691 1.00 0.00 N ATOM 1199 CA SER A 79 2.330 -2.822 -14.082 1.00 0.00 C ATOM 1200 C SER A 79 3.587 -3.496 -13.541 1.00 0.00 C ATOM 1201 O SER A 79 4.552 -3.714 -14.275 1.00 0.00 O ATOM 1202 CB SER A 79 2.253 -1.380 -13.575 1.00 0.00 C ATOM 1203 OG SER A 79 3.229 -0.566 -14.202 1.00 0.00 O ATOM 0 H SER A 79 0.989 -3.622 -12.684 1.00 0.00 H new ATOM 0 HA SER A 79 2.382 -2.814 -15.171 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.259 -0.976 -13.768 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.400 -1.363 -12.495 1.00 0.00 H new ATOM 0 HG SER A 79 3.158 0.350 -13.862 1.00 0.00 H new ATOM 1209 N ARG A 80 3.568 -3.824 -12.254 1.00 0.00 N ATOM 1210 CA ARG A 80 4.706 -4.472 -11.613 1.00 0.00 C ATOM 1211 C ARG A 80 4.319 -5.023 -10.244 1.00 0.00 C ATOM 1212 O ARG A 80 3.768 -4.307 -9.408 1.00 0.00 O ATOM 1213 CB ARG A 80 5.867 -3.486 -11.468 1.00 0.00 C ATOM 1214 CG ARG A 80 5.608 -2.387 -10.450 1.00 0.00 C ATOM 1215 CD ARG A 80 6.812 -1.470 -10.302 1.00 0.00 C ATOM 1216 NE ARG A 80 8.015 -2.203 -9.919 1.00 0.00 N ATOM 1217 CZ ARG A 80 8.831 -2.784 -10.792 1.00 0.00 C ATOM 1218 NH1 ARG A 80 8.574 -2.717 -12.091 1.00 0.00 N ATOM 1219 NH2 ARG A 80 9.906 -3.434 -10.366 1.00 0.00 N ATOM 0 H ARG A 80 2.777 -3.652 -11.634 1.00 0.00 H new ATOM 0 HA ARG A 80 5.021 -5.303 -12.244 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.764 -4.034 -11.179 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.070 -3.031 -12.438 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.740 -1.803 -10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.368 -2.833 -9.485 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.989 -0.950 -11.243 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.598 -0.708 -9.552 1.00 0.00 H new ATOM 0 HE ARG A 80 8.242 -2.273 -8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.748 -2.218 -12.422 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.202 -3.164 -12.759 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.107 -3.488 -9.367 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.532 -3.880 -11.037 1.00 0.00 H new ATOM 1233 N VAL A 81 4.609 -6.301 -10.023 1.00 0.00 N ATOM 1234 CA VAL A 81 4.292 -6.949 -8.756 1.00 0.00 C ATOM 1235 C VAL A 81 5.285 -6.549 -7.670 1.00 0.00 C ATOM 1236 O VAL A 81 6.492 -6.739 -7.820 1.00 0.00 O ATOM 1237 CB VAL A 81 4.289 -8.483 -8.894 1.00 0.00 C ATOM 1238 CG1 VAL A 81 3.819 -9.135 -7.603 1.00 0.00 C ATOM 1239 CG2 VAL A 81 3.416 -8.910 -10.065 1.00 0.00 C ATOM 0 H VAL A 81 5.063 -6.908 -10.705 1.00 0.00 H new ATOM 0 HA VAL A 81 3.294 -6.616 -8.472 1.00 0.00 H new ATOM 0 HB VAL A 81 5.309 -8.815 -9.090 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.824 -10.219 -7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.488 -8.855 -6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.808 -8.799 -7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.425 -9.997 -10.148 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.394 -8.567 -9.901 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.802 -8.472 -10.985 1.00 0.00 H new ATOM 1249 N ILE A 82 4.769 -5.996 -6.578 1.00 0.00 N ATOM 1250 CA ILE A 82 5.611 -5.571 -5.467 1.00 0.00 C ATOM 1251 C ILE A 82 5.527 -6.557 -4.306 1.00 0.00 C ATOM 1252 O ILE A 82 4.528 -7.258 -4.142 1.00 0.00 O ATOM 1253 CB ILE A 82 5.216 -4.170 -4.965 1.00 0.00 C ATOM 1254 CG1 ILE A 82 5.266 -3.160 -6.114 1.00 0.00 C ATOM 1255 CG2 ILE A 82 6.133 -3.736 -3.831 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.641 -3.007 -6.724 1.00 0.00 C ATOM 0 H ILE A 82 3.772 -5.832 -6.439 1.00 0.00 H new ATOM 0 HA ILE A 82 6.634 -5.539 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 82 4.195 -4.210 -4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.566 -3.469 -6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.929 -2.190 -5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.841 -2.744 -3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.052 -4.444 -3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.163 -3.708 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.601 -2.276 -7.532 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.342 -2.668 -5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.972 -3.967 -7.120 1.00 0.00 H new ATOM 1268 N THR A 83 6.583 -6.605 -3.500 1.00 0.00 N ATOM 1269 CA THR A 83 6.630 -7.503 -2.353 1.00 0.00 C ATOM 1270 C THR A 83 6.949 -6.743 -1.072 1.00 0.00 C ATOM 1271 O THR A 83 8.090 -6.336 -0.847 1.00 0.00 O ATOM 1272 CB THR A 83 7.678 -8.614 -2.553 1.00 0.00 C ATOM 1273 OG1 THR A 83 7.484 -9.249 -3.822 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.585 -9.651 -1.443 1.00 0.00 C ATOM 0 H THR A 83 7.418 -6.032 -3.621 1.00 0.00 H new ATOM 0 HA THR A 83 5.643 -7.956 -2.266 1.00 0.00 H new ATOM 0 HB THR A 83 8.668 -8.159 -2.523 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.155 -9.953 -3.942 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.334 -10.426 -1.605 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.762 -9.171 -0.481 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.592 -10.100 -1.447 1.00 0.00 H new ATOM 1282 N LEU A 84 5.937 -6.555 -0.233 1.00 0.00 N ATOM 1283 CA LEU A 84 6.110 -5.844 1.029 1.00 0.00 C ATOM 1284 C LEU A 84 5.627 -6.690 2.202 1.00 0.00 C ATOM 1285 O LEU A 84 4.598 -7.360 2.117 1.00 0.00 O ATOM 1286 CB LEU A 84 5.352 -4.516 0.997 1.00 0.00 C ATOM 1287 CG LEU A 84 5.486 -3.697 -0.288 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.682 -2.410 -0.187 1.00 0.00 C ATOM 1289 CD2 LEU A 84 6.949 -3.393 -0.576 1.00 0.00 C ATOM 0 H LEU A 84 4.987 -6.885 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 84 7.173 -5.645 1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.295 -4.720 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.695 -3.904 1.831 1.00 0.00 H new ATOM 0 HG LEU A 84 5.088 -4.286 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.789 -1.841 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.630 -2.649 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.049 -1.816 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.026 -2.810 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.372 -2.824 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.499 -4.327 -0.693 1.00 0.00 H new ATOM 1301 N LYS A 85 6.376 -6.653 3.299 1.00 0.00 N ATOM 1302 CA LYS A 85 6.023 -7.413 4.493 1.00 0.00 C ATOM 1303 C LYS A 85 5.692 -6.481 5.654 1.00 0.00 C ATOM 1304 O LYS A 85 6.013 -5.293 5.619 1.00 0.00 O ATOM 1305 CB LYS A 85 7.171 -8.347 4.885 1.00 0.00 C ATOM 1306 CG LYS A 85 8.435 -7.615 5.300 1.00 0.00 C ATOM 1307 CD LYS A 85 9.354 -8.508 6.117 1.00 0.00 C ATOM 1308 CE LYS A 85 10.150 -7.707 7.135 1.00 0.00 C ATOM 1309 NZ LYS A 85 9.441 -7.609 8.441 1.00 0.00 N ATOM 0 H LYS A 85 7.232 -6.105 3.386 1.00 0.00 H new ATOM 0 HA LYS A 85 5.139 -8.009 4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.845 -8.986 5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.400 -9.001 4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.962 -7.265 4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.171 -6.733 5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.763 -9.266 6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.038 -9.034 5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.123 -8.175 7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.334 -6.706 6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.016 -7.055 9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.523 -7.140 8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.288 -8.563 8.825 1.00 0.00 H new ATOM 1323 N ALA A 86 5.051 -7.028 6.681 1.00 0.00 N ATOM 1324 CA ALA A 86 4.681 -6.246 7.854 1.00 0.00 C ATOM 1325 C ALA A 86 5.304 -6.825 9.120 1.00 0.00 C ATOM 1326 O ALA A 86 5.797 -7.952 9.120 1.00 0.00 O ATOM 1327 CB ALA A 86 3.167 -6.183 7.990 1.00 0.00 C ATOM 0 H ALA A 86 4.777 -8.010 6.725 1.00 0.00 H new ATOM 0 HA ALA A 86 5.066 -5.235 7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.905 -5.596 8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.741 -5.716 7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.769 -7.192 8.095 1.00 0.00 H new ATOM 1333 N ALA A 87 5.280 -6.045 10.196 1.00 0.00 N ATOM 1334 CA ALA A 87 5.841 -6.482 11.468 1.00 0.00 C ATOM 1335 C ALA A 87 5.506 -7.944 11.743 1.00 0.00 C ATOM 1336 O ALA A 87 6.375 -8.815 11.676 1.00 0.00 O ATOM 1337 CB ALA A 87 5.334 -5.600 12.599 1.00 0.00 C ATOM 0 H ALA A 87 4.878 -5.108 10.212 1.00 0.00 H new ATOM 0 HA ALA A 87 6.926 -6.391 11.409 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.761 -5.938 13.543 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.630 -4.567 12.416 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.247 -5.662 12.650 1.00 0.00 H new ATOM 1343 N THR A 88 4.241 -8.208 12.055 1.00 0.00 N ATOM 1344 CA THR A 88 3.792 -9.564 12.342 1.00 0.00 C ATOM 1345 C THR A 88 2.617 -9.954 11.452 1.00 0.00 C ATOM 1346 O THR A 88 2.184 -9.177 10.602 1.00 0.00 O ATOM 1347 CB THR A 88 3.377 -9.718 13.818 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.319 -8.804 14.127 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.559 -9.464 14.741 1.00 0.00 C ATOM 0 H THR A 88 3.509 -7.500 12.115 1.00 0.00 H new ATOM 0 HA THR A 88 4.634 -10.226 12.138 1.00 0.00 H new ATOM 0 HB THR A 88 3.030 -10.740 13.971 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.060 -8.909 15.066 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.242 -9.578 15.778 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.351 -10.180 14.523 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.931 -8.452 14.585 1.00 0.00 H new ATOM 1357 N LYS A 89 2.104 -11.164 11.654 1.00 0.00 N ATOM 1358 CA LYS A 89 0.978 -11.658 10.871 1.00 0.00 C ATOM 1359 C LYS A 89 -0.221 -10.722 10.993 1.00 0.00 C ATOM 1360 O LYS A 89 -0.974 -10.537 10.038 1.00 0.00 O ATOM 1361 CB LYS A 89 0.589 -13.065 11.331 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.680 -13.588 10.681 1.00 0.00 C ATOM 1363 CD LYS A 89 -0.381 -14.325 9.387 1.00 0.00 C ATOM 1364 CE LYS A 89 -1.609 -15.054 8.864 1.00 0.00 C ATOM 1365 NZ LYS A 89 -1.878 -16.305 9.627 1.00 0.00 N ATOM 0 H LYS A 89 2.451 -11.820 12.354 1.00 0.00 H new ATOM 0 HA LYS A 89 1.283 -11.696 9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.408 -13.749 11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.458 -13.061 12.413 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.194 -14.257 11.371 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.356 -12.757 10.480 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.030 -13.617 8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.425 -15.040 9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.476 -14.396 8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.467 -15.294 7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.681 -16.807 9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.036 -16.914 9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.105 -16.068 10.614 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.390 -10.135 12.173 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.497 -9.218 12.418 1.00 0.00 C ATOM 1381 C GLN A 90 -1.249 -7.873 11.744 1.00 0.00 C ATOM 1382 O GLN A 90 -2.189 -7.178 11.360 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.699 -9.019 13.921 1.00 0.00 C ATOM 1384 CG GLN A 90 -2.722 -9.965 14.529 1.00 0.00 C ATOM 1385 CD GLN A 90 -4.114 -9.367 14.576 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -4.752 -9.332 15.629 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -4.594 -8.892 13.433 1.00 0.00 N ATOM 0 H GLN A 90 0.225 -10.278 12.974 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.400 -9.656 11.992 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.744 -9.155 14.428 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.013 -7.991 14.104 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.747 -10.888 13.950 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.410 -10.230 15.539 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.031 -8.941 12.584 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.526 -8.478 13.404 1.00 0.00 H new ATOM 1396 N ALA A 91 0.022 -7.512 11.604 1.00 0.00 N ATOM 1397 CA ALA A 91 0.394 -6.251 10.974 1.00 0.00 C ATOM 1398 C ALA A 91 -0.134 -6.175 9.545 1.00 0.00 C ATOM 1399 O ALA A 91 -0.944 -5.308 9.218 1.00 0.00 O ATOM 1400 CB ALA A 91 1.905 -6.078 10.991 1.00 0.00 C ATOM 0 H ALA A 91 0.812 -8.075 11.919 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.059 -5.440 11.544 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.168 -5.132 10.517 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.260 -6.079 12.022 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.371 -6.899 10.446 1.00 0.00 H new ATOM 1406 N MET A 92 0.333 -7.086 8.698 1.00 0.00 N ATOM 1407 CA MET A 92 -0.093 -7.121 7.303 1.00 0.00 C ATOM 1408 C MET A 92 -1.614 -7.092 7.199 1.00 0.00 C ATOM 1409 O MET A 92 -2.177 -6.353 6.390 1.00 0.00 O ATOM 1410 CB MET A 92 0.454 -8.372 6.612 1.00 0.00 C ATOM 1411 CG MET A 92 0.063 -9.668 7.303 1.00 0.00 C ATOM 1412 SD MET A 92 0.584 -11.129 6.384 1.00 0.00 S ATOM 1413 CE MET A 92 -0.957 -12.038 6.292 1.00 0.00 C ATOM 0 H MET A 92 1.006 -7.809 8.952 1.00 0.00 H new ATOM 0 HA MET A 92 0.304 -6.237 6.805 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.094 -8.395 5.583 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.541 -8.307 6.568 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.506 -9.693 8.299 1.00 0.00 H new ATOM 0 HG3 MET A 92 -1.019 -9.693 7.435 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.839 -12.887 5.618 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.227 -12.397 7.285 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.744 -11.384 5.917 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.275 -7.901 8.020 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.732 -7.968 8.019 1.00 0.00 C ATOM 1425 C LEU A 93 -4.342 -6.570 8.014 1.00 0.00 C ATOM 1426 O LEU A 93 -5.358 -6.327 7.363 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.227 -8.748 9.239 1.00 0.00 C ATOM 1428 CG LEU A 93 -4.047 -10.265 9.184 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.580 -10.913 10.452 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -4.739 -10.840 7.957 1.00 0.00 C ATOM 0 H LEU A 93 -1.825 -8.520 8.695 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.046 -8.485 7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.708 -8.372 10.121 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.287 -8.533 9.377 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.981 -10.482 9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.443 -11.993 10.394 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.039 -10.524 11.314 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.641 -10.687 10.558 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.600 -11.921 7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.804 -10.612 7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.309 -10.400 7.057 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.713 -5.653 8.742 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.194 -4.279 8.821 1.00 0.00 C ATOM 1444 C TYR A 94 -4.001 -3.557 7.491 1.00 0.00 C ATOM 1445 O TYR A 94 -4.871 -2.807 7.048 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.464 -3.525 9.934 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.620 -2.023 9.851 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -4.871 -1.428 9.956 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.516 -1.199 9.670 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -5.019 -0.057 9.880 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.654 0.173 9.594 1.00 0.00 C ATOM 1452 CZ TYR A 94 -3.907 0.739 9.700 1.00 0.00 C ATOM 1453 OH TYR A 94 -4.050 2.106 9.625 1.00 0.00 O ATOM 0 H TYR A 94 -2.870 -5.837 9.285 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.260 -4.306 9.048 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.837 -3.868 10.899 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.404 -3.774 9.895 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.743 -2.049 10.100 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.533 -1.639 9.587 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.999 0.389 9.961 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.785 0.799 9.452 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.171 2.520 9.498 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.856 -3.790 6.860 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.549 -3.162 5.580 1.00 0.00 C ATOM 1465 C TRP A 95 -3.440 -3.716 4.474 1.00 0.00 C ATOM 1466 O TRP A 95 -4.109 -2.963 3.766 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.077 -3.379 5.223 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.176 -2.294 5.730 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.484 -2.270 6.925 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.160 -1.076 5.059 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.212 -1.110 7.037 1.00 0.00 N ATOM 1472 CE2 TRP A 95 1.030 -0.360 5.904 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.186 -0.520 3.824 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.555 0.881 5.554 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.335 0.712 3.478 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.199 1.401 4.340 1.00 0.00 C ATOM 0 H TRP A 95 -2.126 -4.408 7.213 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.740 -2.093 5.673 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.749 -4.335 5.632 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.979 -3.445 4.139 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.440 -3.048 7.672 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.793 -0.849 7.834 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.849 -1.044 3.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.220 1.414 6.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.072 1.152 2.527 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.591 2.361 4.040 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.445 -5.037 4.330 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.255 -5.692 3.309 1.00 0.00 C ATOM 1489 C LEU A 96 -5.720 -5.286 3.433 1.00 0.00 C ATOM 1490 O LEU A 96 -6.393 -5.044 2.432 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.124 -7.212 3.424 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.701 -7.755 3.553 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.722 -9.258 3.786 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -1.886 -7.417 2.312 1.00 0.00 C ATOM 0 H LEU A 96 -2.897 -5.675 4.907 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.890 -5.375 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.697 -7.541 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.586 -7.664 2.546 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.229 -7.281 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.700 -9.627 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.268 -9.476 4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.213 -9.750 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.876 -7.811 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.356 -7.862 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.842 -6.335 2.189 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.206 -5.211 4.668 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.591 -4.833 4.922 1.00 0.00 C ATOM 1508 C GLN A 97 -7.834 -3.375 4.545 1.00 0.00 C ATOM 1509 O GLN A 97 -8.624 -3.081 3.648 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.941 -5.056 6.394 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.343 -4.598 6.763 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.408 -5.603 6.371 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.108 -6.651 5.799 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.661 -5.288 6.678 1.00 0.00 N ATOM 0 H GLN A 97 -5.661 -5.407 5.508 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.232 -5.462 4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.842 -6.116 6.626 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.219 -4.525 7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.393 -4.423 7.838 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.550 -3.646 6.275 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.864 -4.408 7.153 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.420 -5.926 6.439 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.152 -2.468 5.237 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.296 -1.041 4.974 1.00 0.00 C ATOM 1525 C GLN A 98 -7.041 -0.730 3.503 1.00 0.00 C ATOM 1526 O GLN A 98 -7.907 -0.188 2.813 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.332 -0.240 5.851 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.859 0.020 7.253 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.280 0.548 7.254 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -8.505 1.759 7.249 1.00 0.00 O ATOM 1531 NE2 GLN A 98 -9.249 -0.360 7.261 1.00 0.00 N ATOM 0 H GLN A 98 -6.495 -2.696 5.983 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.320 -0.754 5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.386 -0.777 5.921 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.122 0.714 5.368 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.819 -0.904 7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.209 0.737 7.754 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -9.017 -1.353 7.265 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -10.225 -0.064 7.262 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.850 -1.074 3.028 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.481 -0.831 1.638 1.00 0.00 C ATOM 1542 C LEU A 99 -6.694 -0.956 0.722 1.00 0.00 C ATOM 1543 O LEU A 99 -6.860 -0.174 -0.213 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.393 -1.814 1.199 1.00 0.00 C ATOM 1545 CG LEU A 99 -2.965 -1.468 1.624 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.005 -2.576 1.220 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.535 -0.140 1.018 1.00 0.00 C ATOM 0 H LEU A 99 -5.123 -1.522 3.585 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.096 0.186 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.640 -2.799 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.419 -1.892 0.112 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.942 -1.373 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.994 -2.313 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.301 -3.508 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.031 -2.703 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.517 0.090 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.574 -0.207 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.206 0.649 1.357 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.540 -1.943 1.001 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.739 -2.169 0.203 1.00 0.00 C ATOM 1561 C GLN A 100 -9.745 -1.039 0.401 1.00 0.00 C ATOM 1562 O GLN A 100 -10.245 -0.465 -0.566 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.379 -3.508 0.573 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.799 -4.690 -0.188 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.761 -5.858 -0.272 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.769 -5.798 -0.976 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -9.454 -6.931 0.447 1.00 0.00 N ATOM 0 H GLN A 100 -7.417 -2.598 1.773 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.447 -2.192 -0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.254 -3.678 1.642 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.451 -3.454 0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.530 -4.372 -1.195 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.880 -5.015 0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.608 -6.938 1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.064 -7.748 0.429 1.00 0.00 H new ATOM 1576 N MET A 101 -10.037 -0.727 1.659 1.00 0.00 N ATOM 1577 CA MET A 101 -10.983 0.335 1.983 1.00 0.00 C ATOM 1578 C MET A 101 -10.889 1.473 0.972 1.00 0.00 C ATOM 1579 O MET A 101 -11.892 1.883 0.388 1.00 0.00 O ATOM 1580 CB MET A 101 -10.722 0.866 3.393 1.00 0.00 C ATOM 1581 CG MET A 101 -11.398 0.052 4.484 1.00 0.00 C ATOM 1582 SD MET A 101 -10.897 -1.680 4.469 1.00 0.00 S ATOM 1583 CE MET A 101 -12.283 -2.425 3.614 1.00 0.00 C ATOM 0 H MET A 101 -9.633 -1.194 2.471 1.00 0.00 H new ATOM 0 HA MET A 101 -11.989 -0.082 1.941 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.647 0.879 3.574 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.068 1.898 3.454 1.00 0.00 H new ATOM 0 HG2 MET A 101 -11.162 0.486 5.455 1.00 0.00 H new ATOM 0 HG3 MET A 101 -12.479 0.115 4.362 1.00 0.00 H new ATOM 0 HE1 MET A 101 -12.332 -3.487 3.856 1.00 0.00 H new ATOM 0 HE2 MET A 101 -13.207 -1.939 3.926 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.155 -2.304 2.538 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.678 1.981 0.770 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.452 3.072 -0.171 1.00 0.00 C ATOM 1595 C LYS A 102 -9.969 2.709 -1.559 1.00 0.00 C ATOM 1596 O LYS A 102 -10.830 3.394 -2.110 1.00 0.00 O ATOM 1597 CB LYS A 102 -7.961 3.411 -0.242 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.333 3.682 1.114 1.00 0.00 C ATOM 1599 CD LYS A 102 -7.890 4.948 1.743 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.322 5.174 3.136 1.00 0.00 C ATOM 1601 NZ LYS A 102 -8.154 4.525 4.186 1.00 0.00 N ATOM 0 H LYS A 102 -8.837 1.654 1.246 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.000 3.945 0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.432 2.586 -0.720 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.826 4.287 -0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.515 2.835 1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.253 3.774 1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.656 5.804 1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.977 4.881 1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.307 4.780 3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.258 6.244 3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.734 4.702 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.116 4.919 4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.194 3.500 4.013 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.439 1.626 -2.118 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.847 1.172 -3.442 1.00 0.00 C ATOM 1617 C ARG A 103 -11.323 0.785 -3.453 1.00 0.00 C ATOM 1618 O ARG A 103 -12.136 1.419 -4.126 1.00 0.00 O ATOM 1619 CB ARG A 103 -8.994 -0.019 -3.882 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.528 -0.729 -5.115 1.00 0.00 C ATOM 1621 CD ARG A 103 -8.988 -2.147 -5.220 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.928 -3.043 -5.886 1.00 0.00 N ATOM 1623 CZ ARG A 103 -9.859 -4.368 -5.812 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -8.899 -4.946 -5.104 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -10.752 -5.116 -6.447 1.00 0.00 N ATOM 0 H ARG A 103 -8.726 1.047 -1.675 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.699 1.995 -4.142 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.980 0.326 -4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.931 -0.733 -3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.617 -0.755 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.253 -0.167 -6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.046 -2.136 -5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.771 -2.527 -4.222 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.679 -2.630 -6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.211 -4.374 -4.614 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.848 -5.963 -5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.492 -4.674 -6.992 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.698 -6.133 -6.390 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.661 -0.259 -2.704 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.039 -0.730 -2.628 1.00 0.00 C ATOM 1641 C TRP A 104 -14.013 0.441 -2.566 1.00 0.00 C ATOM 1642 O TRP A 104 -15.051 0.432 -3.226 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.225 -1.629 -1.405 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.640 -1.675 -0.911 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.623 -2.530 -1.319 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.228 -0.827 0.082 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.788 -2.265 -0.639 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.571 -1.226 0.227 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -14.751 0.228 0.865 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.440 -0.605 1.121 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.614 0.843 1.751 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -16.945 0.425 1.874 1.00 0.00 C ATOM 0 H TRP A 104 -11.000 -0.795 -2.141 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.250 -1.305 -3.529 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.901 -2.640 -1.653 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.579 -1.276 -0.602 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.503 -3.301 -2.066 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.671 -2.761 -0.760 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.726 0.557 0.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.467 -0.925 1.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.256 1.660 2.359 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.594 0.926 2.577 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.670 1.449 -1.770 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.516 2.628 -1.623 1.00 0.00 C ATOM 1665 C GLU A 105 -14.888 3.204 -2.986 1.00 0.00 C ATOM 1666 O GLU A 105 -16.059 3.467 -3.262 1.00 0.00 O ATOM 1667 CB GLU A 105 -13.805 3.692 -0.784 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.076 3.574 0.706 1.00 0.00 C ATOM 1669 CD GLU A 105 -15.413 4.169 1.104 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -16.296 4.285 0.228 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -15.576 4.518 2.292 1.00 0.00 O ATOM 0 H GLU A 105 -12.813 1.473 -1.217 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.431 2.326 -1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.731 3.620 -0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.117 4.679 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.050 2.523 0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.281 4.076 1.257 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.884 3.397 -3.835 1.00 0.00 N ATOM 1679 CA PHE A 106 -14.105 3.943 -5.169 1.00 0.00 C ATOM 1680 C PHE A 106 -15.120 3.104 -5.939 1.00 0.00 C ATOM 1681 O PHE A 106 -16.048 3.637 -6.548 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.786 4.004 -5.942 1.00 0.00 C ATOM 1683 CG PHE A 106 -12.965 3.995 -7.433 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -13.371 5.138 -8.103 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.727 2.843 -8.166 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -13.536 5.133 -9.475 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.890 2.832 -9.538 1.00 0.00 C ATOM 1688 CZ PHE A 106 -13.296 3.978 -10.193 1.00 0.00 C ATOM 0 H PHE A 106 -12.909 3.183 -3.623 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.502 4.952 -5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.247 4.906 -5.654 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.165 3.156 -5.653 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -13.561 6.044 -7.546 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -12.410 1.944 -7.659 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -13.852 6.031 -9.985 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.700 1.928 -10.098 1.00 0.00 H new ATOM 0 HZ PHE A 106 -13.426 3.971 -11.265 1.00 0.00 H new ATOM 1698 N HIS A 107 -14.937 1.788 -5.907 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.837 0.874 -6.601 1.00 0.00 C ATOM 1700 C HIS A 107 -17.268 1.031 -6.096 1.00 0.00 C ATOM 1701 O HIS A 107 -18.218 1.010 -6.877 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.374 -0.572 -6.415 1.00 0.00 C ATOM 1703 CG HIS A 107 -14.130 -0.905 -7.179 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -14.095 -1.004 -8.553 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -12.871 -1.162 -6.752 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.868 -1.309 -8.939 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -12.107 -1.410 -7.865 1.00 0.00 N ATOM 0 H HIS A 107 -14.174 1.331 -5.408 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.816 1.121 -7.663 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.200 -0.756 -5.355 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.173 -1.244 -6.728 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -14.891 -0.864 -9.175 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.531 -1.170 -5.727 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.543 -1.451 -9.959 1.00 0.00 H new