USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=25 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 89 LYS NZ :NH3+ -124:sc= -1.01 (180deg=-1.36) USER MOD Set 1.2: A 92 MET CE :methyl 177:sc= -2.28 (180deg=-1.45) USER MOD Set 2.1: A 39 GLN : amide:sc= 0.618 K(o=1.7,f=-4.4!) USER MOD Set 2.2: A 54 SER OG : rot 90:sc= 1.12 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.296 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 150:sc= -0.617 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0703 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 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 64 CYS SG : rot 25:sc= 0.109 USER MOD Single : A 65 LYS NZ :NH3+ -107:sc= 0.465 (180deg=-1.42!) USER MOD Single : A 76 LYS NZ :NH3+ -113:sc= -1.51 (180deg=-5.17!) USER MOD Single : A 77 THR OG1 : rot -65:sc= -0.573 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -104:sc= 0.0753 USER MOD Single : A 85 LYS NZ :NH3+ -122:sc= -0.228 (180deg=-1.5) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.083 K(o=-0.083,f=-0.93) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 98 GLN : amide:sc= -1.53! K(o=-1.5!,f=-0.77) USER MOD Single : A 100 GLN : amide:sc= 0.29 X(o=0.29,f=0) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HE2:sc= -0.458 X(o=-0.46,f=-0.074) USER MOD ----------------------------------------------------------------- ATOM 110 N LEU A 10 -3.256 6.357 6.361 1.00 0.00 N ATOM 111 CA LEU A 10 -2.706 5.006 6.316 1.00 0.00 C ATOM 112 C LEU A 10 -1.245 5.027 5.877 1.00 0.00 C ATOM 113 O LEU A 10 -0.944 5.205 4.696 1.00 0.00 O ATOM 114 CB LEU A 10 -3.524 4.133 5.363 1.00 0.00 C ATOM 115 CG LEU A 10 -2.903 2.787 4.985 1.00 0.00 C ATOM 116 CD1 LEU A 10 -3.064 1.788 6.120 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.529 2.251 3.706 1.00 0.00 C ATOM 0 HA LEU A 10 -2.758 4.585 7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.497 3.947 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.703 4.698 4.448 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.838 2.936 4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.616 0.836 5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.567 2.168 7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.124 1.642 6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.075 1.293 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.601 2.117 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.360 2.959 2.894 1.00 0.00 H new ATOM 129 N CYS A 11 -0.343 4.843 6.834 1.00 0.00 N ATOM 130 CA CYS A 11 1.087 4.839 6.547 1.00 0.00 C ATOM 131 C CYS A 11 1.806 3.780 7.376 1.00 0.00 C ATOM 132 O CYS A 11 1.251 3.245 8.334 1.00 0.00 O ATOM 133 CB CYS A 11 1.688 6.218 6.826 1.00 0.00 C ATOM 134 SG CYS A 11 1.641 6.704 8.567 1.00 0.00 S ATOM 0 H CYS A 11 -0.576 4.695 7.816 1.00 0.00 H new ATOM 0 HA CYS A 11 1.220 4.599 5.492 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.723 6.227 6.485 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.152 6.962 6.237 1.00 0.00 H new ATOM 0 HG CYS A 11 2.173 7.882 8.703 1.00 0.00 H new ATOM 140 N GLY A 12 3.046 3.481 6.999 1.00 0.00 N ATOM 141 CA GLY A 12 3.820 2.485 7.717 1.00 0.00 C ATOM 142 C GLY A 12 5.052 2.046 6.951 1.00 0.00 C ATOM 143 O GLY A 12 5.039 1.988 5.721 1.00 0.00 O ATOM 0 H GLY A 12 3.528 3.911 6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.122 2.891 8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.192 1.617 7.918 1.00 0.00 H new ATOM 147 N TYR A 13 6.119 1.737 7.678 1.00 0.00 N ATOM 148 CA TYR A 13 7.367 1.305 7.059 1.00 0.00 C ATOM 149 C TYR A 13 7.312 -0.177 6.701 1.00 0.00 C ATOM 150 O TYR A 13 6.856 -1.004 7.492 1.00 0.00 O ATOM 151 CB TYR A 13 8.545 1.570 7.998 1.00 0.00 C ATOM 152 CG TYR A 13 8.892 3.036 8.134 1.00 0.00 C ATOM 153 CD1 TYR A 13 8.237 3.842 9.057 1.00 0.00 C ATOM 154 CD2 TYR A 13 9.875 3.614 7.340 1.00 0.00 C ATOM 155 CE1 TYR A 13 8.550 5.182 9.184 1.00 0.00 C ATOM 156 CE2 TYR A 13 10.196 4.952 7.462 1.00 0.00 C ATOM 157 CZ TYR A 13 9.531 5.732 8.385 1.00 0.00 C ATOM 158 OH TYR A 13 9.846 7.065 8.508 1.00 0.00 O ATOM 0 H TYR A 13 6.145 1.777 8.697 1.00 0.00 H new ATOM 0 HA TYR A 13 7.506 1.878 6.142 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.311 1.167 8.984 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.419 1.031 7.633 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.470 3.414 9.686 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.397 3.007 6.615 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.030 5.795 9.905 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.964 5.385 6.838 1.00 0.00 H new ATOM 0 HH TYR A 13 10.558 7.293 7.874 1.00 0.00 H new ATOM 168 N LEU A 14 7.780 -0.506 5.502 1.00 0.00 N ATOM 169 CA LEU A 14 7.786 -1.889 5.036 1.00 0.00 C ATOM 170 C LEU A 14 9.127 -2.244 4.402 1.00 0.00 C ATOM 171 O LEU A 14 9.948 -1.368 4.131 1.00 0.00 O ATOM 172 CB LEU A 14 6.657 -2.113 4.029 1.00 0.00 C ATOM 173 CG LEU A 14 5.243 -1.810 4.526 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.251 -1.853 3.374 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.840 -2.793 5.617 1.00 0.00 C ATOM 0 H LEU A 14 8.160 0.165 4.835 1.00 0.00 H new ATOM 0 HA LEU A 14 7.630 -2.538 5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.852 -1.496 3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.690 -3.152 3.702 1.00 0.00 H new ATOM 0 HG LEU A 14 5.234 -0.805 4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.250 -1.635 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.529 -1.110 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.261 -2.845 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.831 -2.563 5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.866 -3.808 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.534 -2.713 6.454 1.00 0.00 H new ATOM 187 N SER A 15 9.341 -3.534 4.166 1.00 0.00 N ATOM 188 CA SER A 15 10.583 -4.006 3.564 1.00 0.00 C ATOM 189 C SER A 15 10.333 -4.559 2.164 1.00 0.00 C ATOM 190 O SER A 15 9.621 -5.549 1.993 1.00 0.00 O ATOM 191 CB SER A 15 11.223 -5.082 4.443 1.00 0.00 C ATOM 192 OG SER A 15 12.074 -4.504 5.418 1.00 0.00 O ATOM 0 H SER A 15 8.670 -4.272 4.382 1.00 0.00 H new ATOM 0 HA SER A 15 11.264 -3.159 3.484 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.444 -5.665 4.935 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.793 -5.772 3.821 1.00 0.00 H new ATOM 0 HG SER A 15 12.469 -5.212 5.968 1.00 0.00 H new ATOM 198 N LYS A 16 10.924 -3.912 1.166 1.00 0.00 N ATOM 199 CA LYS A 16 10.768 -4.337 -0.220 1.00 0.00 C ATOM 200 C LYS A 16 11.783 -5.420 -0.574 1.00 0.00 C ATOM 201 O LYS A 16 12.986 -5.243 -0.386 1.00 0.00 O ATOM 202 CB LYS A 16 10.931 -3.143 -1.163 1.00 0.00 C ATOM 203 CG LYS A 16 10.650 -3.474 -2.619 1.00 0.00 C ATOM 204 CD LYS A 16 10.359 -2.222 -3.429 1.00 0.00 C ATOM 205 CE LYS A 16 9.904 -2.565 -4.839 1.00 0.00 C ATOM 206 NZ LYS A 16 11.052 -2.675 -5.781 1.00 0.00 N ATOM 0 H LYS A 16 11.516 -3.091 1.291 1.00 0.00 H new ATOM 0 HA LYS A 16 9.766 -4.750 -0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.260 -2.345 -0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.947 -2.758 -1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.507 -3.994 -3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.801 -4.154 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.588 -1.635 -2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.253 -1.601 -3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.355 -3.506 -4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.215 -1.799 -5.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.700 -2.910 -6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.562 -1.769 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.697 -3.423 -5.456 1.00 0.00 H new ATOM 220 N PHE A 17 11.289 -6.541 -1.090 1.00 0.00 N ATOM 221 CA PHE A 17 12.153 -7.653 -1.471 1.00 0.00 C ATOM 222 C PHE A 17 12.628 -7.503 -2.913 1.00 0.00 C ATOM 223 O PHE A 17 11.845 -7.184 -3.806 1.00 0.00 O ATOM 224 CB PHE A 17 11.414 -8.982 -1.301 1.00 0.00 C ATOM 225 CG PHE A 17 12.291 -10.185 -1.502 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.304 -10.478 -0.604 1.00 0.00 C ATOM 227 CD2 PHE A 17 12.101 -11.023 -2.589 1.00 0.00 C ATOM 228 CE1 PHE A 17 14.112 -11.584 -0.787 1.00 0.00 C ATOM 229 CE2 PHE A 17 12.906 -12.130 -2.778 1.00 0.00 C ATOM 230 CZ PHE A 17 13.912 -12.412 -1.875 1.00 0.00 C ATOM 0 H PHE A 17 10.295 -6.703 -1.254 1.00 0.00 H new ATOM 0 HA PHE A 17 13.025 -7.644 -0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.979 -9.022 -0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.587 -9.022 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.464 -9.835 0.249 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.314 -10.808 -3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.899 -11.801 -0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.749 -12.774 -3.631 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.541 -13.278 -2.019 1.00 0.00 H new ATOM 347 N TRP A 26 15.653 -8.056 1.132 1.00 0.00 N ATOM 348 CA TRP A 26 14.745 -7.066 1.700 1.00 0.00 C ATOM 349 C TRP A 26 15.442 -5.721 1.871 1.00 0.00 C ATOM 350 O TRP A 26 16.653 -5.661 2.084 1.00 0.00 O ATOM 351 CB TRP A 26 14.208 -7.551 3.048 1.00 0.00 C ATOM 352 CG TRP A 26 13.451 -8.841 2.957 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.932 -10.094 3.208 1.00 0.00 C ATOM 354 CD2 TRP A 26 12.077 -9.004 2.586 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.941 -11.026 3.016 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.793 -10.383 2.635 1.00 0.00 C ATOM 357 CE3 TRP A 26 11.060 -8.119 2.220 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.535 -10.895 2.330 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.811 -8.629 1.917 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.557 -10.006 1.974 1.00 0.00 C ATOM 0 HA TRP A 26 13.912 -6.936 1.010 1.00 0.00 H new ATOM 0 HB2 TRP A 26 15.041 -7.675 3.739 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.557 -6.785 3.468 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.943 -10.319 3.513 1.00 0.00 H new ATOM 0 HE1 TRP A 26 13.043 -12.034 3.137 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.246 -7.056 2.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.338 -11.956 2.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 9.017 -7.954 1.631 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.570 -10.373 1.732 1.00 0.00 H new ATOM 371 N LYS A 27 14.671 -4.643 1.776 1.00 0.00 N ATOM 372 CA LYS A 27 15.215 -3.298 1.921 1.00 0.00 C ATOM 373 C LYS A 27 14.230 -2.389 2.649 1.00 0.00 C ATOM 374 O LYS A 27 13.063 -2.293 2.270 1.00 0.00 O ATOM 375 CB LYS A 27 15.549 -2.710 0.548 1.00 0.00 C ATOM 376 CG LYS A 27 16.618 -1.632 0.592 1.00 0.00 C ATOM 377 CD LYS A 27 17.142 -1.309 -0.797 1.00 0.00 C ATOM 378 CE LYS A 27 17.980 -0.040 -0.795 1.00 0.00 C ATOM 379 NZ LYS A 27 18.915 0.009 -1.953 1.00 0.00 N ATOM 0 H LYS A 27 13.667 -4.675 1.599 1.00 0.00 H new ATOM 0 HA LYS A 27 16.128 -3.364 2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.881 -3.513 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.642 -2.293 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.208 -0.730 1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.442 -1.961 1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.742 -2.142 -1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.305 -1.192 -1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.323 0.829 -0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.548 0.019 0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.468 0.889 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.559 -0.807 -1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.372 -0.021 -2.839 1.00 0.00 H new ATOM 393 N SER A 28 14.708 -1.724 3.695 1.00 0.00 N ATOM 394 CA SER A 28 13.869 -0.824 4.478 1.00 0.00 C ATOM 395 C SER A 28 13.371 0.337 3.622 1.00 0.00 C ATOM 396 O SER A 28 14.164 1.121 3.099 1.00 0.00 O ATOM 397 CB SER A 28 14.644 -0.288 5.683 1.00 0.00 C ATOM 398 OG SER A 28 15.064 -1.344 6.530 1.00 0.00 O ATOM 0 H SER A 28 15.672 -1.791 4.020 1.00 0.00 H new ATOM 0 HA SER A 28 13.006 -1.388 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.512 0.275 5.340 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.017 0.405 6.244 1.00 0.00 H new ATOM 0 HG SER A 28 15.558 -0.976 7.292 1.00 0.00 H new ATOM 404 N ARG A 29 12.054 0.440 3.484 1.00 0.00 N ATOM 405 CA ARG A 29 11.449 1.504 2.691 1.00 0.00 C ATOM 406 C ARG A 29 10.256 2.115 3.420 1.00 0.00 C ATOM 407 O ARG A 29 9.570 1.436 4.185 1.00 0.00 O ATOM 408 CB ARG A 29 11.007 0.966 1.329 1.00 0.00 C ATOM 409 CG ARG A 29 11.061 2.002 0.219 1.00 0.00 C ATOM 410 CD ARG A 29 12.488 2.244 -0.248 1.00 0.00 C ATOM 411 NE ARG A 29 12.546 2.618 -1.659 1.00 0.00 N ATOM 412 CZ ARG A 29 12.570 1.736 -2.652 1.00 0.00 C ATOM 413 NH1 ARG A 29 12.540 0.436 -2.390 1.00 0.00 N ATOM 414 NH2 ARG A 29 12.623 2.153 -3.911 1.00 0.00 N ATOM 0 H ARG A 29 11.385 -0.200 3.911 1.00 0.00 H new ATOM 0 HA ARG A 29 12.198 2.281 2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.641 0.122 1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.989 0.586 1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.453 1.668 -0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.629 2.938 0.572 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.938 3.033 0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.080 1.343 -0.087 1.00 0.00 H new ATOM 0 HE ARG A 29 12.569 3.610 -1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.498 0.111 -1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.559 -0.239 -3.155 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.645 3.152 -4.117 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.641 1.475 -4.673 1.00 0.00 H new ATOM 428 N TRP A 30 10.016 3.398 3.179 1.00 0.00 N ATOM 429 CA TRP A 30 8.906 4.101 3.813 1.00 0.00 C ATOM 430 C TRP A 30 7.690 4.139 2.894 1.00 0.00 C ATOM 431 O TRP A 30 7.710 4.790 1.850 1.00 0.00 O ATOM 432 CB TRP A 30 9.323 5.524 4.188 1.00 0.00 C ATOM 433 CG TRP A 30 8.164 6.414 4.521 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.841 7.598 3.922 1.00 0.00 C ATOM 435 CD2 TRP A 30 7.177 6.192 5.534 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.712 8.125 4.502 1.00 0.00 N ATOM 437 CE2 TRP A 30 6.285 7.281 5.492 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.958 5.178 6.471 1.00 0.00 C ATOM 439 CZ2 TRP A 30 5.195 7.383 6.352 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.876 5.281 7.323 1.00 0.00 C ATOM 441 CH2 TRP A 30 5.005 6.376 7.259 1.00 0.00 C ATOM 0 H TRP A 30 10.575 3.974 2.549 1.00 0.00 H new ATOM 0 HA TRP A 30 8.636 3.559 4.719 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.998 5.484 5.043 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.882 5.961 3.361 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.392 8.053 3.112 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.265 9.003 4.238 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.623 4.329 6.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.523 8.227 6.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.698 4.504 8.051 1.00 0.00 H new ATOM 0 HH2 TRP A 30 4.167 6.427 7.939 1.00 0.00 H new ATOM 452 N PHE A 31 6.632 3.438 3.290 1.00 0.00 N ATOM 453 CA PHE A 31 5.407 3.392 2.500 1.00 0.00 C ATOM 454 C PHE A 31 4.305 4.218 3.157 1.00 0.00 C ATOM 455 O PHE A 31 4.114 4.165 4.372 1.00 0.00 O ATOM 456 CB PHE A 31 4.941 1.945 2.328 1.00 0.00 C ATOM 457 CG PHE A 31 5.801 1.145 1.392 1.00 0.00 C ATOM 458 CD1 PHE A 31 6.913 0.465 1.863 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.499 1.073 0.042 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.707 -0.271 1.004 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.289 0.339 -0.822 1.00 0.00 C ATOM 462 CZ PHE A 31 7.394 -0.335 -0.340 1.00 0.00 C ATOM 0 H PHE A 31 6.599 2.895 4.153 1.00 0.00 H new ATOM 0 HA PHE A 31 5.620 3.817 1.519 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.928 1.458 3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.916 1.944 1.957 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.162 0.511 2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.635 1.597 -0.340 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.571 -0.796 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.043 0.292 -1.873 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.012 -0.911 -1.013 1.00 0.00 H new ATOM 472 N PHE A 32 3.583 4.983 2.345 1.00 0.00 N ATOM 473 CA PHE A 32 2.502 5.823 2.846 1.00 0.00 C ATOM 474 C PHE A 32 1.419 6.004 1.786 1.00 0.00 C ATOM 475 O PHE A 32 1.710 6.325 0.634 1.00 0.00 O ATOM 476 CB PHE A 32 3.044 7.187 3.276 1.00 0.00 C ATOM 477 CG PHE A 32 3.403 8.080 2.123 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.422 8.780 1.440 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.722 8.219 1.723 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.749 9.603 0.379 1.00 0.00 C ATOM 481 CE2 PHE A 32 5.056 9.041 0.663 1.00 0.00 C ATOM 482 CZ PHE A 32 4.068 9.733 -0.011 1.00 0.00 C ATOM 0 H PHE A 32 3.727 5.038 1.337 1.00 0.00 H new ATOM 0 HA PHE A 32 2.061 5.327 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.298 7.687 3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.926 7.039 3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.389 8.681 1.740 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.498 7.679 2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.975 10.144 -0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.088 9.142 0.362 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.326 10.374 -0.841 1.00 0.00 H new ATOM 492 N TYR A 33 0.169 5.796 2.185 1.00 0.00 N ATOM 493 CA TYR A 33 -0.958 5.934 1.270 1.00 0.00 C ATOM 494 C TYR A 33 -1.369 7.396 1.128 1.00 0.00 C ATOM 495 O TYR A 33 -1.243 8.182 2.066 1.00 0.00 O ATOM 496 CB TYR A 33 -2.146 5.104 1.762 1.00 0.00 C ATOM 497 CG TYR A 33 -3.458 5.480 1.112 1.00 0.00 C ATOM 498 CD1 TYR A 33 -4.104 6.666 1.441 1.00 0.00 C ATOM 499 CD2 TYR A 33 -4.052 4.651 0.169 1.00 0.00 C ATOM 500 CE1 TYR A 33 -5.303 7.013 0.850 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.250 4.991 -0.428 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.872 6.173 -0.084 1.00 0.00 C ATOM 503 OH TYR A 33 -7.067 6.515 -0.676 1.00 0.00 O ATOM 0 H TYR A 33 -0.089 5.531 3.136 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.646 5.567 0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.945 4.050 1.572 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.238 5.222 2.842 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.661 7.327 2.171 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.568 3.724 -0.102 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.793 7.938 1.118 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.697 4.335 -1.160 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.103 6.139 -1.580 1.00 0.00 H new ATOM 513 N ASP A 34 -1.861 7.753 -0.053 1.00 0.00 N ATOM 514 CA ASP A 34 -2.293 9.120 -0.320 1.00 0.00 C ATOM 515 C ASP A 34 -3.812 9.195 -0.444 1.00 0.00 C ATOM 516 O ASP A 34 -4.425 8.408 -1.165 1.00 0.00 O ATOM 517 CB ASP A 34 -1.638 9.643 -1.599 1.00 0.00 C ATOM 518 CG ASP A 34 -1.769 11.147 -1.743 1.00 0.00 C ATOM 519 OD1 ASP A 34 -2.789 11.700 -1.282 1.00 0.00 O ATOM 520 OD2 ASP A 34 -0.852 11.771 -2.318 1.00 0.00 O ATOM 0 H ASP A 34 -1.971 7.115 -0.841 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.984 9.744 0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.582 9.371 -1.601 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.093 9.157 -2.462 1.00 0.00 H new ATOM 525 N GLU A 35 -4.412 10.147 0.264 1.00 0.00 N ATOM 526 CA GLU A 35 -5.859 10.324 0.234 1.00 0.00 C ATOM 527 C GLU A 35 -6.248 11.472 -0.693 1.00 0.00 C ATOM 528 O GLU A 35 -7.314 12.070 -0.544 1.00 0.00 O ATOM 529 CB GLU A 35 -6.392 10.589 1.643 1.00 0.00 C ATOM 530 CG GLU A 35 -5.667 11.710 2.368 1.00 0.00 C ATOM 531 CD GLU A 35 -6.206 11.947 3.765 1.00 0.00 C ATOM 532 OE1 GLU A 35 -6.326 10.967 4.529 1.00 0.00 O ATOM 533 OE2 GLU A 35 -6.508 13.114 4.093 1.00 0.00 O ATOM 0 H GLU A 35 -3.919 10.807 0.865 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.304 9.405 -0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.452 10.834 1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.310 9.675 2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.605 11.471 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.755 12.629 1.788 1.00 0.00 H new ATOM 540 N ARG A 36 -5.376 11.774 -1.649 1.00 0.00 N ATOM 541 CA ARG A 36 -5.626 12.851 -2.599 1.00 0.00 C ATOM 542 C ARG A 36 -5.817 12.299 -4.009 1.00 0.00 C ATOM 543 O ARG A 36 -6.749 12.682 -4.716 1.00 0.00 O ATOM 544 CB ARG A 36 -4.470 13.853 -2.584 1.00 0.00 C ATOM 545 CG ARG A 36 -4.199 14.450 -1.212 1.00 0.00 C ATOM 546 CD ARG A 36 -3.582 15.835 -1.320 1.00 0.00 C ATOM 547 NE ARG A 36 -3.748 16.605 -0.090 1.00 0.00 N ATOM 548 CZ ARG A 36 -3.576 17.920 -0.017 1.00 0.00 C ATOM 549 NH1 ARG A 36 -3.235 18.608 -1.098 1.00 0.00 N ATOM 550 NH2 ARG A 36 -3.746 18.550 1.138 1.00 0.00 N ATOM 0 H ARG A 36 -4.490 11.288 -1.786 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.542 13.360 -2.299 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.567 13.358 -2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.690 14.659 -3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.130 14.508 -0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.530 13.795 -0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.520 15.742 -1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.041 16.373 -2.149 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.010 16.105 0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.104 18.127 -1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.104 19.618 -1.039 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.009 18.024 1.972 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.614 19.560 1.192 1.00 0.00 H new ATOM 564 N LYS A 37 -4.927 11.398 -4.411 1.00 0.00 N ATOM 565 CA LYS A 37 -4.996 10.792 -5.735 1.00 0.00 C ATOM 566 C LYS A 37 -5.288 9.299 -5.636 1.00 0.00 C ATOM 567 O LYS A 37 -5.193 8.571 -6.625 1.00 0.00 O ATOM 568 CB LYS A 37 -3.684 11.017 -6.491 1.00 0.00 C ATOM 569 CG LYS A 37 -3.294 12.480 -6.611 1.00 0.00 C ATOM 570 CD LYS A 37 -2.078 12.662 -7.504 1.00 0.00 C ATOM 571 CE LYS A 37 -1.384 13.989 -7.237 1.00 0.00 C ATOM 572 NZ LYS A 37 -1.929 15.081 -8.091 1.00 0.00 N ATOM 0 H LYS A 37 -4.149 11.071 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.810 11.268 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.885 10.477 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.772 10.590 -7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.132 13.049 -7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.083 12.884 -5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.377 11.844 -7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.382 12.613 -8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.502 14.256 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.315 13.883 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.430 15.969 -7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.794 14.838 -9.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.944 15.199 -7.897 1.00 0.00 H new ATOM 586 N CYS A 38 -5.645 8.849 -4.438 1.00 0.00 N ATOM 587 CA CYS A 38 -5.952 7.442 -4.210 1.00 0.00 C ATOM 588 C CYS A 38 -4.833 6.549 -4.736 1.00 0.00 C ATOM 589 O CYS A 38 -5.075 5.629 -5.516 1.00 0.00 O ATOM 590 CB CYS A 38 -7.275 7.071 -4.882 1.00 0.00 C ATOM 591 SG CYS A 38 -8.737 7.735 -4.051 1.00 0.00 S ATOM 0 H CYS A 38 -5.729 9.438 -3.610 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.043 7.285 -3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.261 7.430 -5.911 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.356 5.985 -4.925 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.806 7.369 -4.695 1.00 0.00 H new ATOM 597 N GLN A 39 -3.607 6.829 -4.303 1.00 0.00 N ATOM 598 CA GLN A 39 -2.450 6.052 -4.733 1.00 0.00 C ATOM 599 C GLN A 39 -1.493 5.812 -3.570 1.00 0.00 C ATOM 600 O GLN A 39 -1.416 6.617 -2.640 1.00 0.00 O ATOM 601 CB GLN A 39 -1.721 6.770 -5.869 1.00 0.00 C ATOM 602 CG GLN A 39 -2.312 6.495 -7.242 1.00 0.00 C ATOM 603 CD GLN A 39 -1.276 6.556 -8.347 1.00 0.00 C ATOM 604 OE1 GLN A 39 -0.092 6.311 -8.118 1.00 0.00 O ATOM 605 NE2 GLN A 39 -1.718 6.885 -9.556 1.00 0.00 N ATOM 0 H GLN A 39 -3.390 7.587 -3.656 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.805 5.086 -5.092 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.743 7.844 -5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.674 6.467 -5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.779 5.510 -7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.099 7.221 -7.447 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.709 7.080 -9.701 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.067 6.942 -10.339 1.00 0.00 H new ATOM 614 N LEU A 40 -0.767 4.702 -3.627 1.00 0.00 N ATOM 615 CA LEU A 40 0.186 4.355 -2.578 1.00 0.00 C ATOM 616 C LEU A 40 1.589 4.836 -2.936 1.00 0.00 C ATOM 617 O LEU A 40 2.222 4.309 -3.851 1.00 0.00 O ATOM 618 CB LEU A 40 0.195 2.843 -2.350 1.00 0.00 C ATOM 619 CG LEU A 40 1.212 2.324 -1.333 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.817 2.738 0.076 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.339 0.811 -1.430 1.00 0.00 C ATOM 0 H LEU A 40 -0.820 4.026 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.125 4.853 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.800 2.539 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.384 2.353 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 40 2.182 2.765 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.552 2.360 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.778 3.826 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.163 2.326 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.067 0.459 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.372 0.351 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.670 0.537 -2.432 1.00 0.00 H new ATOM 633 N TYR A 41 2.068 5.838 -2.208 1.00 0.00 N ATOM 634 CA TYR A 41 3.397 6.390 -2.448 1.00 0.00 C ATOM 635 C TYR A 41 4.373 5.953 -1.361 1.00 0.00 C ATOM 636 O TYR A 41 4.004 5.828 -0.193 1.00 0.00 O ATOM 637 CB TYR A 41 3.334 7.917 -2.510 1.00 0.00 C ATOM 638 CG TYR A 41 2.439 8.442 -3.610 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.059 8.472 -3.455 1.00 0.00 C ATOM 640 CD2 TYR A 41 2.974 8.910 -4.804 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.238 8.950 -4.458 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.161 9.391 -5.811 1.00 0.00 C ATOM 643 CZ TYR A 41 0.793 9.409 -5.634 1.00 0.00 C ATOM 644 OH TYR A 41 -0.021 9.887 -6.635 1.00 0.00 O ATOM 0 H TYR A 41 1.557 6.285 -1.447 1.00 0.00 H new ATOM 0 HA TYR A 41 3.754 6.009 -3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.979 8.297 -1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.341 8.308 -2.655 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.620 8.116 -2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.044 8.897 -4.947 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.833 8.964 -4.322 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.594 9.751 -6.733 1.00 0.00 H new ATOM 0 HH TYR A 41 0.528 10.172 -7.395 1.00 0.00 H new ATOM 654 N TYR A 42 5.621 5.724 -1.753 1.00 0.00 N ATOM 655 CA TYR A 42 6.652 5.299 -0.813 1.00 0.00 C ATOM 656 C TYR A 42 8.007 5.892 -1.187 1.00 0.00 C ATOM 657 O TYR A 42 8.303 6.100 -2.364 1.00 0.00 O ATOM 658 CB TYR A 42 6.742 3.773 -0.778 1.00 0.00 C ATOM 659 CG TYR A 42 7.401 3.177 -2.001 1.00 0.00 C ATOM 660 CD1 TYR A 42 8.779 3.228 -2.167 1.00 0.00 C ATOM 661 CD2 TYR A 42 6.644 2.563 -2.992 1.00 0.00 C ATOM 662 CE1 TYR A 42 9.385 2.685 -3.283 1.00 0.00 C ATOM 663 CE2 TYR A 42 7.242 2.017 -4.111 1.00 0.00 C ATOM 664 CZ TYR A 42 8.612 2.080 -4.252 1.00 0.00 C ATOM 665 OH TYR A 42 9.211 1.538 -5.366 1.00 0.00 O ATOM 0 H TYR A 42 5.944 5.825 -2.715 1.00 0.00 H new ATOM 0 HA TYR A 42 6.378 5.662 0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.300 3.471 0.108 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.738 3.360 -0.679 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.387 3.701 -1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.570 2.512 -2.885 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.458 2.734 -3.396 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.639 1.543 -4.872 1.00 0.00 H new ATOM 0 HH TYR A 42 8.526 1.150 -5.950 1.00 0.00 H new ATOM 675 N SER A 43 8.827 6.161 -0.176 1.00 0.00 N ATOM 676 CA SER A 43 10.151 6.732 -0.397 1.00 0.00 C ATOM 677 C SER A 43 11.168 6.136 0.572 1.00 0.00 C ATOM 678 O SER A 43 10.835 5.278 1.389 1.00 0.00 O ATOM 679 CB SER A 43 10.106 8.253 -0.236 1.00 0.00 C ATOM 680 OG SER A 43 9.109 8.638 0.694 1.00 0.00 O ATOM 0 H SER A 43 8.598 5.993 0.804 1.00 0.00 H new ATOM 0 HA SER A 43 10.460 6.490 -1.414 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.078 8.615 0.098 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.906 8.718 -1.201 1.00 0.00 H new ATOM 0 HG SER A 43 9.102 9.614 0.780 1.00 0.00 H new ATOM 686 N ARG A 44 12.410 6.598 0.473 1.00 0.00 N ATOM 687 CA ARG A 44 13.477 6.111 1.339 1.00 0.00 C ATOM 688 C ARG A 44 13.137 6.348 2.807 1.00 0.00 C ATOM 689 O ARG A 44 13.317 5.466 3.648 1.00 0.00 O ATOM 690 CB ARG A 44 14.798 6.801 0.993 1.00 0.00 C ATOM 691 CG ARG A 44 15.528 6.167 -0.180 1.00 0.00 C ATOM 692 CD ARG A 44 16.950 6.691 -0.300 1.00 0.00 C ATOM 693 NE ARG A 44 17.810 5.775 -1.043 1.00 0.00 N ATOM 694 CZ ARG A 44 18.343 4.677 -0.517 1.00 0.00 C ATOM 695 NH1 ARG A 44 18.104 4.362 0.748 1.00 0.00 N ATOM 696 NH2 ARG A 44 19.116 3.893 -1.258 1.00 0.00 N ATOM 0 H ARG A 44 12.702 7.309 -0.198 1.00 0.00 H new ATOM 0 HA ARG A 44 13.581 5.038 1.177 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.602 7.849 0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.448 6.782 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.547 5.084 -0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.984 6.372 -1.102 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.938 7.661 -0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 44 17.363 6.849 0.696 1.00 0.00 H new ATOM 0 HE ARG A 44 18.013 5.989 -2.019 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.510 4.963 1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.514 3.519 1.150 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.301 4.133 -2.232 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.525 3.050 -0.854 1.00 0.00 H new ATOM 710 N THR A 45 12.644 7.545 3.110 1.00 0.00 N ATOM 711 CA THR A 45 12.280 7.898 4.476 1.00 0.00 C ATOM 712 C THR A 45 11.198 8.973 4.497 1.00 0.00 C ATOM 713 O THR A 45 11.061 9.746 3.549 1.00 0.00 O ATOM 714 CB THR A 45 13.500 8.399 5.271 1.00 0.00 C ATOM 715 OG1 THR A 45 13.898 9.690 4.797 1.00 0.00 O ATOM 716 CG2 THR A 45 14.664 7.427 5.146 1.00 0.00 C ATOM 0 H THR A 45 12.488 8.286 2.427 1.00 0.00 H new ATOM 0 HA THR A 45 11.897 6.992 4.945 1.00 0.00 H new ATOM 0 HB THR A 45 13.217 8.470 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.673 10.002 5.309 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.514 7.802 5.716 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.368 6.453 5.535 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.945 7.329 4.097 1.00 0.00 H new ATOM 787 N PRO A 51 7.935 11.380 -3.004 1.00 0.00 N ATOM 788 CA PRO A 51 7.841 9.920 -3.086 1.00 0.00 C ATOM 789 C PRO A 51 8.608 9.355 -4.277 1.00 0.00 C ATOM 790 O PRO A 51 8.440 9.811 -5.409 1.00 0.00 O ATOM 791 CB PRO A 51 6.340 9.670 -3.250 1.00 0.00 C ATOM 792 CG PRO A 51 5.812 10.921 -3.863 1.00 0.00 C ATOM 793 CD PRO A 51 6.655 12.039 -3.312 1.00 0.00 C ATOM 0 HA PRO A 51 8.275 9.434 -2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.150 8.806 -3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.865 9.469 -2.290 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.878 10.881 -4.950 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.761 11.065 -3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.781 12.843 -4.038 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.206 12.480 -2.422 1.00 0.00 H new ATOM 801 N LEU A 52 9.450 8.362 -4.015 1.00 0.00 N ATOM 802 CA LEU A 52 10.244 7.734 -5.066 1.00 0.00 C ATOM 803 C LEU A 52 9.349 7.209 -6.184 1.00 0.00 C ATOM 804 O LEU A 52 9.595 7.466 -7.362 1.00 0.00 O ATOM 805 CB LEU A 52 11.081 6.592 -4.487 1.00 0.00 C ATOM 806 CG LEU A 52 12.142 6.990 -3.461 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.709 5.758 -2.774 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.252 7.791 -4.125 1.00 0.00 C ATOM 0 H LEU A 52 9.601 7.974 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 52 10.911 8.488 -5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.406 5.874 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.576 6.077 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 52 11.671 7.618 -2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.463 6.061 -2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.907 5.224 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.164 5.104 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.998 8.066 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.721 7.188 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.833 8.694 -4.569 1.00 0.00 H new ATOM 820 N ASP A 53 8.309 6.474 -5.806 1.00 0.00 N ATOM 821 CA ASP A 53 7.375 5.915 -6.776 1.00 0.00 C ATOM 822 C ASP A 53 5.994 5.729 -6.156 1.00 0.00 C ATOM 823 O ASP A 53 5.847 5.725 -4.933 1.00 0.00 O ATOM 824 CB ASP A 53 7.895 4.577 -7.304 1.00 0.00 C ATOM 825 CG ASP A 53 8.795 4.742 -8.513 1.00 0.00 C ATOM 826 OD1 ASP A 53 8.403 5.469 -9.449 1.00 0.00 O ATOM 827 OD2 ASP A 53 9.891 4.144 -8.522 1.00 0.00 O ATOM 0 H ASP A 53 8.092 6.251 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 53 7.289 6.616 -7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.444 4.066 -6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.050 3.941 -7.568 1.00 0.00 H new ATOM 832 N SER A 54 4.984 5.577 -7.006 1.00 0.00 N ATOM 833 CA SER A 54 3.614 5.395 -6.542 1.00 0.00 C ATOM 834 C SER A 54 2.974 4.177 -7.200 1.00 0.00 C ATOM 835 O SER A 54 3.335 3.799 -8.315 1.00 0.00 O ATOM 836 CB SER A 54 2.782 6.645 -6.839 1.00 0.00 C ATOM 837 OG SER A 54 2.346 6.659 -8.187 1.00 0.00 O ATOM 0 H SER A 54 5.089 5.576 -8.021 1.00 0.00 H new ATOM 0 HA SER A 54 3.641 5.232 -5.465 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.919 6.678 -6.174 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.375 7.537 -6.636 1.00 0.00 H new ATOM 0 HG SER A 54 1.481 6.204 -8.256 1.00 0.00 H new ATOM 843 N ILE A 55 2.022 3.567 -6.502 1.00 0.00 N ATOM 844 CA ILE A 55 1.330 2.392 -7.018 1.00 0.00 C ATOM 845 C ILE A 55 -0.182 2.585 -6.984 1.00 0.00 C ATOM 846 O ILE A 55 -0.766 2.808 -5.923 1.00 0.00 O ATOM 847 CB ILE A 55 1.693 1.128 -6.217 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.212 0.944 -6.173 1.00 0.00 C ATOM 849 CG2 ILE A 55 1.024 -0.095 -6.826 1.00 0.00 C ATOM 850 CD1 ILE A 55 3.875 1.666 -5.021 1.00 0.00 C ATOM 0 H ILE A 55 1.712 3.867 -5.578 1.00 0.00 H new ATOM 0 HA ILE A 55 1.654 2.263 -8.051 1.00 0.00 H new ATOM 0 HB ILE A 55 1.330 1.246 -5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.439 -0.120 -6.103 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.640 1.301 -7.110 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.290 -0.981 -6.249 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.058 0.037 -6.811 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.360 -0.219 -7.856 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.950 1.491 -5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.679 2.735 -5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.474 1.293 -4.079 1.00 0.00 H new ATOM 862 N ASP A 56 -0.811 2.495 -8.151 1.00 0.00 N ATOM 863 CA ASP A 56 -2.256 2.657 -8.255 1.00 0.00 C ATOM 864 C ASP A 56 -2.982 1.449 -7.670 1.00 0.00 C ATOM 865 O ASP A 56 -3.068 0.397 -8.305 1.00 0.00 O ATOM 866 CB ASP A 56 -2.665 2.856 -9.715 1.00 0.00 C ATOM 867 CG ASP A 56 -4.135 3.195 -9.864 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.891 2.998 -8.890 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.529 3.657 -10.955 1.00 0.00 O ATOM 0 H ASP A 56 -0.342 2.311 -9.038 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.540 3.541 -7.683 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.065 3.654 -10.152 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.446 1.948 -10.278 1.00 0.00 H new ATOM 874 N LEU A 57 -3.500 1.607 -6.458 1.00 0.00 N ATOM 875 CA LEU A 57 -4.218 0.528 -5.786 1.00 0.00 C ATOM 876 C LEU A 57 -5.491 0.168 -6.544 1.00 0.00 C ATOM 877 O LEU A 57 -5.990 -0.953 -6.441 1.00 0.00 O ATOM 878 CB LEU A 57 -4.561 0.934 -4.352 1.00 0.00 C ATOM 879 CG LEU A 57 -3.389 1.398 -3.486 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.887 1.917 -2.146 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.393 0.265 -3.285 1.00 0.00 C ATOM 0 H LEU A 57 -3.437 2.471 -5.920 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.571 -0.349 -5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.299 1.736 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.037 0.086 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.882 2.213 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.039 2.242 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.560 2.759 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.419 1.122 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.566 0.613 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.888 -0.571 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.011 -0.059 -4.253 1.00 0.00 H new ATOM 893 N SER A 58 -6.012 1.124 -7.306 1.00 0.00 N ATOM 894 CA SER A 58 -7.229 0.908 -8.080 1.00 0.00 C ATOM 895 C SER A 58 -7.173 -0.426 -8.818 1.00 0.00 C ATOM 896 O SER A 58 -8.146 -1.180 -8.835 1.00 0.00 O ATOM 897 CB SER A 58 -7.432 2.049 -9.079 1.00 0.00 C ATOM 898 OG SER A 58 -8.768 2.082 -9.549 1.00 0.00 O ATOM 0 H SER A 58 -5.610 2.056 -7.404 1.00 0.00 H new ATOM 0 HA SER A 58 -8.071 0.886 -7.389 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.186 2.999 -8.606 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.750 1.926 -9.920 1.00 0.00 H new ATOM 0 HG SER A 58 -8.873 2.820 -10.185 1.00 0.00 H new ATOM 904 N SER A 59 -6.026 -0.710 -9.428 1.00 0.00 N ATOM 905 CA SER A 59 -5.843 -1.951 -10.172 1.00 0.00 C ATOM 906 C SER A 59 -4.762 -2.815 -9.529 1.00 0.00 C ATOM 907 O SER A 59 -4.088 -3.590 -10.207 1.00 0.00 O ATOM 908 CB SER A 59 -5.474 -1.649 -11.625 1.00 0.00 C ATOM 909 OG SER A 59 -6.596 -1.172 -12.348 1.00 0.00 O ATOM 0 H SER A 59 -5.210 -0.098 -9.422 1.00 0.00 H new ATOM 0 HA SER A 59 -6.784 -2.501 -10.151 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.676 -0.907 -11.654 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.088 -2.551 -12.100 1.00 0.00 H new ATOM 0 HG SER A 59 -6.333 -0.985 -13.273 1.00 0.00 H new ATOM 915 N ALA A 60 -4.604 -2.675 -8.217 1.00 0.00 N ATOM 916 CA ALA A 60 -3.607 -3.443 -7.482 1.00 0.00 C ATOM 917 C ALA A 60 -4.269 -4.449 -6.547 1.00 0.00 C ATOM 918 O ALA A 60 -5.171 -4.103 -5.784 1.00 0.00 O ATOM 919 CB ALA A 60 -2.696 -2.510 -6.697 1.00 0.00 C ATOM 0 H ALA A 60 -5.154 -2.037 -7.642 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.007 -3.997 -8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.956 -3.097 -6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.188 -1.834 -7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.290 -1.930 -5.991 1.00 0.00 H new ATOM 925 N VAL A 61 -3.816 -5.697 -6.612 1.00 0.00 N ATOM 926 CA VAL A 61 -4.364 -6.754 -5.771 1.00 0.00 C ATOM 927 C VAL A 61 -3.379 -7.153 -4.678 1.00 0.00 C ATOM 928 O VAL A 61 -2.225 -7.480 -4.956 1.00 0.00 O ATOM 929 CB VAL A 61 -4.727 -8.000 -6.600 1.00 0.00 C ATOM 930 CG1 VAL A 61 -3.865 -8.079 -7.851 1.00 0.00 C ATOM 931 CG2 VAL A 61 -4.579 -9.260 -5.761 1.00 0.00 C ATOM 0 H VAL A 61 -3.071 -6.001 -7.239 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.269 -6.356 -5.312 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.769 -7.918 -6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.136 -8.966 -8.424 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.026 -7.190 -8.461 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.815 -8.138 -7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.840 -10.131 -6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.548 -9.351 -5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.243 -9.203 -4.899 1.00 0.00 H new ATOM 941 N PHE A 62 -3.843 -7.126 -3.432 1.00 0.00 N ATOM 942 CA PHE A 62 -3.002 -7.485 -2.296 1.00 0.00 C ATOM 943 C PHE A 62 -3.170 -8.960 -1.940 1.00 0.00 C ATOM 944 O PHE A 62 -4.287 -9.474 -1.891 1.00 0.00 O ATOM 945 CB PHE A 62 -3.345 -6.614 -1.086 1.00 0.00 C ATOM 946 CG PHE A 62 -3.851 -5.249 -1.454 1.00 0.00 C ATOM 947 CD1 PHE A 62 -3.060 -4.375 -2.180 1.00 0.00 C ATOM 948 CD2 PHE A 62 -5.119 -4.840 -1.073 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.523 -3.118 -2.521 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.588 -3.585 -1.411 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.788 -2.722 -2.135 1.00 0.00 C ATOM 0 H PHE A 62 -4.796 -6.859 -3.184 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.963 -7.313 -2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.099 -7.122 -0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.458 -6.508 -0.462 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.069 -4.679 -2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.748 -5.510 -0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.896 -2.446 -3.089 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.579 -3.279 -1.110 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.151 -1.740 -2.398 1.00 0.00 H new ATOM 961 N ASP A 63 -2.052 -9.633 -1.692 1.00 0.00 N ATOM 962 CA ASP A 63 -2.073 -11.048 -1.340 1.00 0.00 C ATOM 963 C ASP A 63 -1.120 -11.335 -0.185 1.00 0.00 C ATOM 964 O ASP A 63 -0.267 -10.511 0.148 1.00 0.00 O ATOM 965 CB ASP A 63 -1.698 -11.903 -2.552 1.00 0.00 C ATOM 966 CG ASP A 63 -2.153 -13.342 -2.408 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.366 -13.563 -2.213 1.00 0.00 O ATOM 968 OD2 ASP A 63 -1.296 -14.246 -2.490 1.00 0.00 O ATOM 0 H ASP A 63 -1.119 -9.221 -1.728 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.085 -11.303 -1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.143 -11.472 -3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.617 -11.879 -2.690 1.00 0.00 H new ATOM 973 N CYS A 64 -1.270 -12.506 0.423 1.00 0.00 N ATOM 974 CA CYS A 64 -0.423 -12.901 1.543 1.00 0.00 C ATOM 975 C CYS A 64 0.348 -14.176 1.218 1.00 0.00 C ATOM 976 O CYS A 64 -0.205 -15.126 0.663 1.00 0.00 O ATOM 977 CB CYS A 64 -1.269 -13.109 2.800 1.00 0.00 C ATOM 978 SG CYS A 64 -2.487 -14.438 2.659 1.00 0.00 S ATOM 0 H CYS A 64 -1.970 -13.199 0.159 1.00 0.00 H new ATOM 0 HA CYS A 64 0.294 -12.100 1.725 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.607 -13.325 3.639 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.787 -12.179 3.034 1.00 0.00 H new ATOM 0 HG CYS A 64 -2.096 -15.292 1.760 1.00 0.00 H new ATOM 984 N LYS A 65 1.631 -14.191 1.566 1.00 0.00 N ATOM 985 CA LYS A 65 2.480 -15.348 1.311 1.00 0.00 C ATOM 986 C LYS A 65 2.016 -16.552 2.124 1.00 0.00 C ATOM 987 O LYS A 65 1.064 -16.461 2.899 1.00 0.00 O ATOM 988 CB LYS A 65 3.936 -15.022 1.649 1.00 0.00 C ATOM 989 CG LYS A 65 4.722 -14.462 0.476 1.00 0.00 C ATOM 990 CD LYS A 65 5.394 -15.567 -0.322 1.00 0.00 C ATOM 991 CE LYS A 65 6.768 -15.141 -0.817 1.00 0.00 C ATOM 992 NZ LYS A 65 6.700 -14.498 -2.158 1.00 0.00 N ATOM 0 H LYS A 65 2.105 -13.414 2.026 1.00 0.00 H new ATOM 0 HA LYS A 65 2.406 -15.596 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.958 -14.302 2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.428 -15.926 2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.054 -13.897 -0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.476 -13.765 0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.490 -16.458 0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.767 -15.836 -1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.212 -14.447 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.423 -16.011 -0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.081 -15.148 -2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.710 -14.274 -2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.261 -13.622 -2.152 1.00 0.00 H new ATOM 1006 N ALA A 66 2.696 -17.680 1.944 1.00 0.00 N ATOM 1007 CA ALA A 66 2.356 -18.901 2.663 1.00 0.00 C ATOM 1008 C ALA A 66 2.825 -18.833 4.112 1.00 0.00 C ATOM 1009 O ALA A 66 2.176 -19.368 5.011 1.00 0.00 O ATOM 1010 CB ALA A 66 2.961 -20.110 1.966 1.00 0.00 C ATOM 0 H ALA A 66 3.486 -17.773 1.306 1.00 0.00 H new ATOM 0 HA ALA A 66 1.271 -19.002 2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.699 -21.015 2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.573 -20.176 0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.046 -20.007 1.934 1.00 0.00 H new ATOM 1016 N ASP A 67 3.957 -18.173 4.332 1.00 0.00 N ATOM 1017 CA ASP A 67 4.514 -18.036 5.673 1.00 0.00 C ATOM 1018 C ASP A 67 3.998 -16.768 6.348 1.00 0.00 C ATOM 1019 O ASP A 67 4.685 -16.170 7.175 1.00 0.00 O ATOM 1020 CB ASP A 67 6.042 -18.011 5.614 1.00 0.00 C ATOM 1021 CG ASP A 67 6.647 -19.399 5.700 1.00 0.00 C ATOM 1022 OD1 ASP A 67 6.098 -20.326 5.067 1.00 0.00 O ATOM 1023 OD2 ASP A 67 7.669 -19.558 6.399 1.00 0.00 O ATOM 0 H ASP A 67 4.507 -17.725 3.599 1.00 0.00 H new ATOM 0 HA ASP A 67 4.195 -18.896 6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.359 -17.536 4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.424 -17.400 6.431 1.00 0.00 H new ATOM 1028 N ALA A 68 2.784 -16.364 5.988 1.00 0.00 N ATOM 1029 CA ALA A 68 2.176 -15.169 6.559 1.00 0.00 C ATOM 1030 C ALA A 68 2.309 -15.158 8.078 1.00 0.00 C ATOM 1031 O ALA A 68 2.242 -14.103 8.708 1.00 0.00 O ATOM 1032 CB ALA A 68 0.713 -15.077 6.155 1.00 0.00 C ATOM 0 H ALA A 68 2.202 -16.847 5.303 1.00 0.00 H new ATOM 0 HA ALA A 68 2.705 -14.300 6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.272 -14.180 6.589 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.638 -15.030 5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.179 -15.955 6.518 1.00 0.00 H new ATOM 1038 N GLU A 69 2.498 -16.338 8.660 1.00 0.00 N ATOM 1039 CA GLU A 69 2.639 -16.462 10.106 1.00 0.00 C ATOM 1040 C GLU A 69 3.568 -15.385 10.657 1.00 0.00 C ATOM 1041 O GLU A 69 3.498 -15.033 11.834 1.00 0.00 O ATOM 1042 CB GLU A 69 3.174 -17.848 10.471 1.00 0.00 C ATOM 1043 CG GLU A 69 4.562 -18.129 9.921 1.00 0.00 C ATOM 1044 CD GLU A 69 5.260 -19.263 10.647 1.00 0.00 C ATOM 1045 OE1 GLU A 69 4.659 -20.352 10.761 1.00 0.00 O ATOM 1046 OE2 GLU A 69 6.405 -19.062 11.102 1.00 0.00 O ATOM 0 H GLU A 69 2.557 -17.221 8.153 1.00 0.00 H new ATOM 0 HA GLU A 69 1.654 -16.331 10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.196 -17.945 11.556 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.484 -18.605 10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.486 -18.373 8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.168 -17.226 9.997 1.00 0.00 H new ATOM 1053 N GLU A 70 4.438 -14.866 9.796 1.00 0.00 N ATOM 1054 CA GLU A 70 5.382 -13.829 10.197 1.00 0.00 C ATOM 1055 C GLU A 70 4.848 -12.443 9.849 1.00 0.00 C ATOM 1056 O GLU A 70 4.990 -11.498 10.625 1.00 0.00 O ATOM 1057 CB GLU A 70 6.736 -14.051 9.519 1.00 0.00 C ATOM 1058 CG GLU A 70 7.582 -12.793 9.423 1.00 0.00 C ATOM 1059 CD GLU A 70 9.036 -13.090 9.112 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.296 -13.839 8.147 1.00 0.00 O ATOM 1061 OE2 GLU A 70 9.915 -12.574 9.834 1.00 0.00 O ATOM 0 H GLU A 70 4.509 -15.146 8.818 1.00 0.00 H new ATOM 0 HA GLU A 70 5.511 -13.889 11.278 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.290 -14.810 10.072 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.570 -14.445 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.174 -12.144 8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.520 -12.245 10.363 1.00 0.00 H new ATOM 1068 N GLY A 71 4.234 -12.328 8.676 1.00 0.00 N ATOM 1069 CA GLY A 71 3.689 -11.055 8.245 1.00 0.00 C ATOM 1070 C GLY A 71 4.236 -10.614 6.902 1.00 0.00 C ATOM 1071 O GLY A 71 4.864 -9.560 6.795 1.00 0.00 O ATOM 0 H GLY A 71 4.104 -13.095 8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.603 -11.130 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.915 -10.295 8.993 1.00 0.00 H new ATOM 1075 N ILE A 72 4.000 -11.423 5.874 1.00 0.00 N ATOM 1076 CA ILE A 72 4.475 -11.111 4.532 1.00 0.00 C ATOM 1077 C ILE A 72 3.319 -11.059 3.538 1.00 0.00 C ATOM 1078 O ILE A 72 2.403 -11.881 3.591 1.00 0.00 O ATOM 1079 CB ILE A 72 5.509 -12.143 4.046 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.512 -12.454 5.159 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.227 -11.631 2.807 1.00 0.00 C ATOM 1082 CD1 ILE A 72 5.996 -13.444 6.179 1.00 0.00 C ATOM 0 H ILE A 72 3.483 -12.299 5.945 1.00 0.00 H new ATOM 0 HA ILE A 72 4.950 -10.131 4.585 1.00 0.00 H new ATOM 0 HB ILE A 72 4.987 -13.063 3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.426 -12.847 4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.778 -11.527 5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.955 -12.372 2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.502 -11.455 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.740 -10.699 3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.760 -13.616 6.937 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.099 -13.045 6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.757 -14.385 5.684 1.00 0.00 H new ATOM 1094 N PHE A 73 3.369 -10.090 2.630 1.00 0.00 N ATOM 1095 CA PHE A 73 2.327 -9.932 1.622 1.00 0.00 C ATOM 1096 C PHE A 73 2.921 -9.473 0.294 1.00 0.00 C ATOM 1097 O PHE A 73 4.105 -9.149 0.210 1.00 0.00 O ATOM 1098 CB PHE A 73 1.276 -8.927 2.099 1.00 0.00 C ATOM 1099 CG PHE A 73 1.840 -7.569 2.403 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.549 -7.345 3.573 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.662 -6.516 1.520 1.00 0.00 C ATOM 1102 CE1 PHE A 73 3.069 -6.096 3.856 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.180 -5.265 1.798 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.885 -5.055 2.967 1.00 0.00 C ATOM 0 H PHE A 73 4.120 -9.402 2.571 1.00 0.00 H new ATOM 0 HA PHE A 73 1.851 -10.901 1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.505 -8.829 1.334 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.790 -9.318 2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.697 -8.156 4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.112 -6.675 0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.619 -5.934 4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.034 -4.452 1.102 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.292 -4.079 3.186 1.00 0.00 H new ATOM 1114 N GLU A 74 2.088 -9.449 -0.743 1.00 0.00 N ATOM 1115 CA GLU A 74 2.531 -9.032 -2.068 1.00 0.00 C ATOM 1116 C GLU A 74 1.389 -8.381 -2.843 1.00 0.00 C ATOM 1117 O GLU A 74 0.245 -8.830 -2.776 1.00 0.00 O ATOM 1118 CB GLU A 74 3.075 -10.230 -2.849 1.00 0.00 C ATOM 1119 CG GLU A 74 4.472 -10.650 -2.424 1.00 0.00 C ATOM 1120 CD GLU A 74 4.840 -12.035 -2.918 1.00 0.00 C ATOM 1121 OE1 GLU A 74 4.256 -13.018 -2.416 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.712 -12.137 -3.807 1.00 0.00 O ATOM 0 H GLU A 74 1.104 -9.713 -0.690 1.00 0.00 H new ATOM 0 HA GLU A 74 3.327 -8.298 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.397 -11.074 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.085 -9.986 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.196 -9.929 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.539 -10.626 -1.336 1.00 0.00 H new ATOM 1129 N ILE A 75 1.709 -7.321 -3.577 1.00 0.00 N ATOM 1130 CA ILE A 75 0.711 -6.609 -4.365 1.00 0.00 C ATOM 1131 C ILE A 75 0.926 -6.834 -5.858 1.00 0.00 C ATOM 1132 O ILE A 75 1.931 -6.404 -6.424 1.00 0.00 O ATOM 1133 CB ILE A 75 0.740 -5.096 -4.077 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.686 -4.841 -2.569 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.416 -4.400 -4.779 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.642 -3.374 -2.205 1.00 0.00 C ATOM 0 H ILE A 75 2.651 -6.936 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.261 -7.007 -4.076 1.00 0.00 H new ATOM 0 HB ILE A 75 1.673 -4.686 -4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.193 -5.336 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.558 -5.297 -2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.381 -3.332 -4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.337 -4.558 -5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.360 -4.811 -4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.605 -3.269 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.534 -2.877 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.244 -2.917 -2.644 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.026 -7.511 -6.491 1.00 0.00 N ATOM 1149 CA LYS A 76 0.056 -7.792 -7.920 1.00 0.00 C ATOM 1150 C LYS A 76 -0.471 -6.616 -8.737 1.00 0.00 C ATOM 1151 O LYS A 76 -1.622 -6.207 -8.584 1.00 0.00 O ATOM 1152 CB LYS A 76 -0.736 -9.057 -8.258 1.00 0.00 C ATOM 1153 CG LYS A 76 0.102 -10.324 -8.232 1.00 0.00 C ATOM 1154 CD LYS A 76 -0.092 -11.095 -6.938 1.00 0.00 C ATOM 1155 CE LYS A 76 0.752 -10.516 -5.812 1.00 0.00 C ATOM 1156 NZ LYS A 76 2.080 -11.183 -5.715 1.00 0.00 N ATOM 0 H LYS A 76 -0.864 -7.875 -6.037 1.00 0.00 H new ATOM 0 HA LYS A 76 1.104 -7.948 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.558 -9.161 -7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.179 -8.945 -9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.168 -10.957 -9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.155 -10.067 -8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.144 -11.072 -6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.174 -12.141 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.893 -9.448 -5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.221 -10.625 -4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.135 -11.719 -4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.202 -11.832 -6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.832 -10.464 -5.733 1.00 0.00 H new ATOM 1170 N THR A 77 0.378 -6.078 -9.607 1.00 0.00 N ATOM 1171 CA THR A 77 -0.002 -4.950 -10.448 1.00 0.00 C ATOM 1172 C THR A 77 0.337 -5.216 -11.910 1.00 0.00 C ATOM 1173 O THR A 77 1.242 -5.986 -12.232 1.00 0.00 O ATOM 1174 CB THR A 77 0.696 -3.653 -9.998 1.00 0.00 C ATOM 1175 OG1 THR A 77 2.112 -3.857 -9.930 1.00 0.00 O ATOM 1176 CG2 THR A 77 0.178 -3.202 -8.640 1.00 0.00 C ATOM 0 H THR A 77 1.334 -6.406 -9.747 1.00 0.00 H new ATOM 0 HA THR A 77 -1.080 -4.828 -10.344 1.00 0.00 H new ATOM 0 HB THR A 77 0.476 -2.876 -10.730 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.315 -4.508 -9.226 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.686 -2.284 -8.343 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.895 -3.019 -8.702 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.372 -3.979 -7.900 1.00 0.00 H new ATOM 1184 N PRO A 78 -0.404 -4.564 -12.818 1.00 0.00 N ATOM 1185 CA PRO A 78 -0.198 -4.713 -14.262 1.00 0.00 C ATOM 1186 C PRO A 78 1.109 -4.081 -14.730 1.00 0.00 C ATOM 1187 O PRO A 78 1.399 -4.046 -15.925 1.00 0.00 O ATOM 1188 CB PRO A 78 -1.395 -3.977 -14.869 1.00 0.00 C ATOM 1189 CG PRO A 78 -1.796 -2.986 -13.831 1.00 0.00 C ATOM 1190 CD PRO A 78 -1.499 -3.630 -12.506 1.00 0.00 C ATOM 0 HA PRO A 78 -0.129 -5.760 -14.558 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.125 -3.485 -15.803 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.210 -4.665 -15.095 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.241 -2.055 -13.945 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.854 -2.739 -13.916 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.199 -2.894 -11.760 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.370 -4.151 -12.108 1.00 0.00 H new ATOM 1198 N SER A 79 1.893 -3.583 -13.779 1.00 0.00 N ATOM 1199 CA SER A 79 3.168 -2.949 -14.095 1.00 0.00 C ATOM 1200 C SER A 79 4.333 -3.774 -13.558 1.00 0.00 C ATOM 1201 O SER A 79 5.272 -4.092 -14.288 1.00 0.00 O ATOM 1202 CB SER A 79 3.217 -1.536 -13.511 1.00 0.00 C ATOM 1203 OG SER A 79 2.201 -0.719 -14.066 1.00 0.00 O ATOM 0 H SER A 79 1.668 -3.606 -12.784 1.00 0.00 H new ATOM 0 HA SER A 79 3.257 -2.890 -15.180 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.100 -1.582 -12.428 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.193 -1.092 -13.707 1.00 0.00 H new ATOM 0 HG SER A 79 2.253 0.178 -13.675 1.00 0.00 H new ATOM 1209 N ARG A 80 4.265 -4.118 -12.276 1.00 0.00 N ATOM 1210 CA ARG A 80 5.314 -4.905 -11.639 1.00 0.00 C ATOM 1211 C ARG A 80 4.848 -5.438 -10.287 1.00 0.00 C ATOM 1212 O ARG A 80 4.345 -4.687 -9.451 1.00 0.00 O ATOM 1213 CB ARG A 80 6.577 -4.061 -11.459 1.00 0.00 C ATOM 1214 CG ARG A 80 6.463 -3.022 -10.356 1.00 0.00 C ATOM 1215 CD ARG A 80 7.743 -2.212 -10.219 1.00 0.00 C ATOM 1216 NE ARG A 80 8.849 -3.020 -9.710 1.00 0.00 N ATOM 1217 CZ ARG A 80 10.122 -2.649 -9.781 1.00 0.00 C ATOM 1218 NH1 ARG A 80 10.449 -1.491 -10.337 1.00 0.00 N ATOM 1219 NH2 ARG A 80 11.072 -3.439 -9.296 1.00 0.00 N ATOM 0 H ARG A 80 3.494 -3.864 -11.658 1.00 0.00 H new ATOM 0 HA ARG A 80 5.541 -5.752 -12.286 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.416 -4.721 -11.240 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.804 -3.558 -12.399 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.629 -2.353 -10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.241 -3.517 -9.410 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.014 -1.796 -11.189 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.570 -1.371 -9.548 1.00 0.00 H new ATOM 0 HE ARG A 80 8.631 -3.917 -9.277 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.722 -0.882 -10.712 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.428 -1.209 -10.390 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.824 -4.331 -8.869 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.050 -3.154 -9.351 1.00 0.00 H new ATOM 1233 N VAL A 81 5.020 -6.740 -10.079 1.00 0.00 N ATOM 1234 CA VAL A 81 4.618 -7.373 -8.828 1.00 0.00 C ATOM 1235 C VAL A 81 5.575 -7.013 -7.698 1.00 0.00 C ATOM 1236 O VAL A 81 6.727 -7.448 -7.684 1.00 0.00 O ATOM 1237 CB VAL A 81 4.561 -8.906 -8.969 1.00 0.00 C ATOM 1238 CG1 VAL A 81 4.337 -9.559 -7.613 1.00 0.00 C ATOM 1239 CG2 VAL A 81 3.471 -9.310 -9.951 1.00 0.00 C ATOM 0 H VAL A 81 5.435 -7.376 -10.760 1.00 0.00 H new ATOM 0 HA VAL A 81 3.622 -7.000 -8.589 1.00 0.00 H new ATOM 0 HB VAL A 81 5.517 -9.254 -9.359 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.299 -10.642 -7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.155 -9.296 -6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.395 -9.208 -7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.445 -10.396 -10.039 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.506 -8.951 -9.592 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.680 -8.872 -10.927 1.00 0.00 H new ATOM 1249 N ILE A 82 5.091 -6.217 -6.751 1.00 0.00 N ATOM 1250 CA ILE A 82 5.903 -5.800 -5.614 1.00 0.00 C ATOM 1251 C ILE A 82 5.780 -6.787 -4.459 1.00 0.00 C ATOM 1252 O ILE A 82 4.791 -7.514 -4.350 1.00 0.00 O ATOM 1253 CB ILE A 82 5.503 -4.397 -5.122 1.00 0.00 C ATOM 1254 CG1 ILE A 82 5.650 -3.375 -6.251 1.00 0.00 C ATOM 1255 CG2 ILE A 82 6.350 -3.995 -3.923 1.00 0.00 C ATOM 1256 CD1 ILE A 82 7.087 -3.101 -6.635 1.00 0.00 C ATOM 0 H ILE A 82 4.140 -5.848 -6.748 1.00 0.00 H new ATOM 0 HA ILE A 82 6.937 -5.774 -5.957 1.00 0.00 H new ATOM 0 HB ILE A 82 4.458 -4.421 -4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.110 -3.734 -7.127 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.179 -2.440 -5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 82 6.056 -3.001 -3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.200 -4.711 -3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.402 -3.985 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.115 -2.368 -7.441 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.627 -2.712 -5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.557 -4.026 -6.970 1.00 0.00 H new ATOM 1268 N THR A 83 6.789 -6.807 -3.594 1.00 0.00 N ATOM 1269 CA THR A 83 6.794 -7.703 -2.445 1.00 0.00 C ATOM 1270 C THR A 83 7.175 -6.960 -1.169 1.00 0.00 C ATOM 1271 O THR A 83 8.347 -6.659 -0.941 1.00 0.00 O ATOM 1272 CB THR A 83 7.770 -8.877 -2.653 1.00 0.00 C ATOM 1273 OG1 THR A 83 7.539 -9.487 -3.927 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.610 -9.915 -1.552 1.00 0.00 C ATOM 0 H THR A 83 7.614 -6.212 -3.668 1.00 0.00 H new ATOM 0 HA THR A 83 5.782 -8.094 -2.345 1.00 0.00 H new ATOM 0 HB THR A 83 8.787 -8.486 -2.617 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.062 -10.334 -3.802 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.309 -10.734 -1.720 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.816 -9.455 -0.585 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.591 -10.301 -1.561 1.00 0.00 H new ATOM 1282 N LEU A 84 6.179 -6.668 -0.341 1.00 0.00 N ATOM 1283 CA LEU A 84 6.409 -5.961 0.914 1.00 0.00 C ATOM 1284 C LEU A 84 5.946 -6.796 2.103 1.00 0.00 C ATOM 1285 O LEU A 84 4.907 -7.454 2.046 1.00 0.00 O ATOM 1286 CB LEU A 84 5.680 -4.616 0.905 1.00 0.00 C ATOM 1287 CG LEU A 84 5.745 -3.826 -0.402 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.897 -2.567 -0.308 1.00 0.00 C ATOM 1289 CD2 LEU A 84 7.187 -3.475 -0.742 1.00 0.00 C ATOM 0 H LEU A 84 5.204 -6.910 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 84 7.480 -5.786 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.632 -4.792 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.092 -3.997 1.701 1.00 0.00 H new ATOM 0 HG LEU A 84 5.345 -4.450 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.956 -2.018 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.860 -2.840 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.266 -1.939 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.214 -2.913 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.613 -2.870 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.768 -4.391 -0.853 1.00 0.00 H new ATOM 1301 N LYS A 85 6.722 -6.762 3.181 1.00 0.00 N ATOM 1302 CA LYS A 85 6.391 -7.513 4.387 1.00 0.00 C ATOM 1303 C LYS A 85 6.125 -6.572 5.557 1.00 0.00 C ATOM 1304 O LYS A 85 6.738 -5.510 5.663 1.00 0.00 O ATOM 1305 CB LYS A 85 7.526 -8.476 4.740 1.00 0.00 C ATOM 1306 CG LYS A 85 8.776 -7.782 5.251 1.00 0.00 C ATOM 1307 CD LYS A 85 9.909 -8.768 5.478 1.00 0.00 C ATOM 1308 CE LYS A 85 9.863 -9.358 6.879 1.00 0.00 C ATOM 1309 NZ LYS A 85 9.040 -10.598 6.932 1.00 0.00 N ATOM 0 H LYS A 85 7.585 -6.222 3.244 1.00 0.00 H new ATOM 0 HA LYS A 85 5.485 -8.086 4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.174 -9.177 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.781 -9.062 3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.091 -7.024 4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.550 -7.265 6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.848 -9.570 4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.865 -8.267 5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.877 -9.580 7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.454 -8.621 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.272 -10.475 7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.635 -10.786 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.638 -11.399 7.218 1.00 0.00 H new ATOM 1323 N ALA A 86 5.209 -6.970 6.434 1.00 0.00 N ATOM 1324 CA ALA A 86 4.866 -6.163 7.599 1.00 0.00 C ATOM 1325 C ALA A 86 5.617 -6.640 8.838 1.00 0.00 C ATOM 1326 O ALA A 86 6.449 -7.543 8.761 1.00 0.00 O ATOM 1327 CB ALA A 86 3.364 -6.201 7.843 1.00 0.00 C ATOM 0 H ALA A 86 4.691 -7.846 6.360 1.00 0.00 H new ATOM 0 HA ALA A 86 5.165 -5.134 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.122 -5.594 8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.844 -5.806 6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.050 -7.230 8.018 1.00 0.00 H new ATOM 1333 N ALA A 87 5.317 -6.026 9.978 1.00 0.00 N ATOM 1334 CA ALA A 87 5.963 -6.390 11.233 1.00 0.00 C ATOM 1335 C ALA A 87 5.507 -7.765 11.708 1.00 0.00 C ATOM 1336 O ALA A 87 6.300 -8.704 11.779 1.00 0.00 O ATOM 1337 CB ALA A 87 5.677 -5.340 12.297 1.00 0.00 C ATOM 0 H ALA A 87 4.631 -5.275 10.058 1.00 0.00 H new ATOM 0 HA ALA A 87 7.038 -6.434 11.060 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.165 -5.624 13.229 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.059 -4.374 11.967 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.601 -5.269 12.458 1.00 0.00 H new ATOM 1343 N THR A 88 4.222 -7.877 12.033 1.00 0.00 N ATOM 1344 CA THR A 88 3.660 -9.137 12.503 1.00 0.00 C ATOM 1345 C THR A 88 2.486 -9.573 11.635 1.00 0.00 C ATOM 1346 O THR A 88 2.143 -8.909 10.657 1.00 0.00 O ATOM 1347 CB THR A 88 3.191 -9.031 13.967 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.067 -8.149 14.058 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.313 -8.526 14.860 1.00 0.00 C ATOM 0 H THR A 88 3.552 -7.110 11.979 1.00 0.00 H new ATOM 0 HA THR A 88 4.453 -9.882 12.436 1.00 0.00 H new ATOM 0 HB THR A 88 2.900 -10.026 14.305 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.774 -8.088 14.991 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.958 -8.460 15.888 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.156 -9.216 14.811 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.631 -7.540 14.522 1.00 0.00 H new ATOM 1357 N LYS A 89 1.872 -10.694 11.998 1.00 0.00 N ATOM 1358 CA LYS A 89 0.733 -11.219 11.254 1.00 0.00 C ATOM 1359 C LYS A 89 -0.449 -10.258 11.319 1.00 0.00 C ATOM 1360 O LYS A 89 -1.128 -10.027 10.319 1.00 0.00 O ATOM 1361 CB LYS A 89 0.324 -12.587 11.805 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.985 -13.105 11.235 1.00 0.00 C ATOM 1363 CD LYS A 89 -0.763 -13.888 9.952 1.00 0.00 C ATOM 1364 CE LYS A 89 -2.074 -14.404 9.380 1.00 0.00 C ATOM 1365 NZ LYS A 89 -2.905 -13.304 8.817 1.00 0.00 N ATOM 0 H LYS A 89 2.144 -11.257 12.804 1.00 0.00 H new ATOM 0 HA LYS A 89 1.032 -11.329 10.211 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.114 -13.307 11.591 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.238 -12.522 12.890 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.477 -13.742 11.971 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.655 -12.267 11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.270 -13.252 9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.095 -14.727 10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.866 -15.138 8.601 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.634 -14.918 10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.841 -13.309 9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.439 -12.391 8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.016 -13.442 7.792 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.689 -9.701 12.502 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.790 -8.765 12.696 1.00 0.00 C ATOM 1381 C GLN A 90 -1.494 -7.429 12.022 1.00 0.00 C ATOM 1382 O GLN A 90 -2.387 -6.602 11.842 1.00 0.00 O ATOM 1383 CB GLN A 90 -2.048 -8.551 14.188 1.00 0.00 C ATOM 1384 CG GLN A 90 -3.506 -8.276 14.521 1.00 0.00 C ATOM 1385 CD GLN A 90 -3.670 -7.424 15.764 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -2.912 -6.480 15.989 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -4.665 -7.754 16.580 1.00 0.00 N ATOM 0 H GLN A 90 -0.136 -9.882 13.340 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.682 -9.192 12.238 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.720 -9.435 14.735 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.441 -7.716 14.537 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.979 -7.775 13.677 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.027 -9.223 14.663 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.269 -8.544 16.354 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.825 -7.217 17.432 1.00 0.00 H new ATOM 1396 N ALA A 91 -0.234 -7.226 11.651 1.00 0.00 N ATOM 1397 CA ALA A 91 0.180 -5.992 10.996 1.00 0.00 C ATOM 1398 C ALA A 91 -0.334 -5.933 9.561 1.00 0.00 C ATOM 1399 O ALA A 91 -1.147 -5.076 9.218 1.00 0.00 O ATOM 1400 CB ALA A 91 1.696 -5.863 11.021 1.00 0.00 C ATOM 0 H ALA A 91 0.518 -7.901 11.793 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.254 -5.156 11.545 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.990 -4.936 10.528 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.043 -5.851 12.054 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.142 -6.709 10.499 1.00 0.00 H new ATOM 1406 N MET A 92 0.147 -6.850 8.728 1.00 0.00 N ATOM 1407 CA MET A 92 -0.265 -6.902 7.330 1.00 0.00 C ATOM 1408 C MET A 92 -1.786 -6.878 7.210 1.00 0.00 C ATOM 1409 O MET A 92 -2.345 -6.115 6.421 1.00 0.00 O ATOM 1410 CB MET A 92 0.291 -8.159 6.658 1.00 0.00 C ATOM 1411 CG MET A 92 -0.079 -9.446 7.376 1.00 0.00 C ATOM 1412 SD MET A 92 -1.625 -10.156 6.775 1.00 0.00 S ATOM 1413 CE MET A 92 -1.189 -11.890 6.686 1.00 0.00 C ATOM 0 H MET A 92 0.822 -7.566 8.996 1.00 0.00 H new ATOM 0 HA MET A 92 0.136 -6.022 6.827 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.077 -8.206 5.633 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.377 -8.082 6.604 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.724 -10.172 7.249 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.165 -9.250 8.445 1.00 0.00 H new ATOM 0 HE1 MET A 92 -2.060 -12.469 6.380 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.389 -12.027 5.959 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.852 -12.231 7.665 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.450 -7.719 7.996 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.907 -7.795 7.977 1.00 0.00 C ATOM 1425 C LEU A 93 -4.524 -6.401 7.941 1.00 0.00 C ATOM 1426 O LEU A 93 -5.552 -6.182 7.300 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.413 -8.558 9.203 1.00 0.00 C ATOM 1428 CG LEU A 93 -4.204 -10.072 9.184 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.472 -10.665 10.559 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -5.098 -10.721 8.138 1.00 0.00 C ATOM 0 H LEU A 93 -2.003 -8.357 8.654 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.207 -8.328 7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.919 -8.154 10.087 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.479 -8.360 9.315 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.166 -10.273 8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.318 -11.744 10.526 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.790 -10.223 11.285 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.500 -10.454 10.852 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.936 -11.799 8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.142 -10.511 8.371 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.858 -10.319 7.154 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.889 -5.460 8.632 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.376 -4.087 8.680 1.00 0.00 C ATOM 1444 C TYR A 94 -4.160 -3.386 7.342 1.00 0.00 C ATOM 1445 O TYR A 94 -5.040 -2.681 6.848 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.671 -3.312 9.794 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.842 -1.813 9.691 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -5.084 -1.221 9.881 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.760 -0.989 9.404 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -5.245 0.148 9.787 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.912 0.381 9.310 1.00 0.00 C ATOM 1452 CZ TYR A 94 -4.156 0.945 9.501 1.00 0.00 C ATOM 1453 OH TYR A 94 -4.311 2.309 9.408 1.00 0.00 O ATOM 0 H TYR A 94 -3.036 -5.624 9.166 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.446 -4.115 8.887 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.055 -3.648 10.757 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.608 -3.550 9.774 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.939 -1.842 10.106 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.785 -1.427 9.252 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.218 0.592 9.937 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.061 1.007 9.088 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.447 2.723 9.202 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.982 -3.585 6.761 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.649 -2.972 5.480 1.00 0.00 C ATOM 1465 C TRP A 95 -3.548 -3.507 4.371 1.00 0.00 C ATOM 1466 O TRP A 95 -4.138 -2.737 3.611 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.182 -3.232 5.134 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.254 -2.171 5.643 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.418 -2.171 6.831 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.102 -0.953 4.978 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.170 -1.027 6.946 1.00 0.00 N ATOM 1472 CE2 TRP A 95 0.994 -0.264 5.822 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.245 -0.380 3.752 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.541 0.969 5.478 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.299 0.844 3.412 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.185 1.508 4.271 1.00 0.00 C ATOM 0 H TRP A 95 -2.242 -4.165 7.156 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.810 -1.897 5.566 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.884 -4.195 5.549 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.079 -3.306 4.051 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.366 -2.955 7.572 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.763 -0.785 7.740 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.926 -0.884 3.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.222 1.482 6.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.037 1.297 2.467 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.595 2.463 3.975 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.649 -4.828 4.283 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.478 -5.466 3.265 1.00 0.00 C ATOM 1489 C LEU A 96 -5.937 -5.045 3.410 1.00 0.00 C ATOM 1490 O LEU A 96 -6.612 -4.762 2.420 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.362 -6.988 3.365 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.947 -7.543 3.532 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.968 -9.064 3.534 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -2.036 -7.022 2.431 1.00 0.00 C ATOM 0 H LEU A 96 -3.168 -5.479 4.904 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.121 -5.144 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.965 -7.324 4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.799 -7.426 2.467 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.555 -7.204 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.953 -9.442 3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.587 -9.418 4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.380 -9.423 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.033 -7.427 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.425 -7.331 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.996 -5.934 2.476 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.417 -5.006 4.649 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.796 -4.619 4.922 1.00 0.00 C ATOM 1508 C GLN A 97 -8.023 -3.148 4.591 1.00 0.00 C ATOM 1509 O GLN A 97 -8.877 -2.812 3.770 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.141 -4.883 6.389 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.526 -4.399 6.785 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.611 -5.406 6.459 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.408 -6.316 5.655 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.772 -5.249 7.085 1.00 0.00 N ATOM 0 H GLN A 97 -5.872 -5.238 5.479 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.448 -5.220 4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.070 -5.953 6.583 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.400 -4.394 7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.541 -4.188 7.854 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.740 -3.461 6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.896 -4.480 7.744 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.539 -5.897 6.907 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.255 -2.275 5.235 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.374 -0.840 5.008 1.00 0.00 C ATOM 1525 C GLN A 98 -7.186 -0.504 3.532 1.00 0.00 C ATOM 1526 O GLN A 98 -8.068 0.078 2.900 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.347 -0.082 5.851 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.776 0.120 7.295 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.221 0.560 7.420 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -8.514 1.752 7.514 1.00 0.00 O ATOM 1531 NE2 GLN A 98 -9.135 -0.404 7.419 1.00 0.00 N ATOM 0 H GLN A 98 -6.544 -2.537 5.918 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.376 -0.533 5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.403 -0.626 5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.163 0.891 5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.635 -0.810 7.845 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.132 0.866 7.760 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.847 -1.379 7.339 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -10.124 -0.169 7.498 1.00 0.00 H new ATOM 1540 N LEU A 99 -6.031 -0.873 2.989 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.727 -0.611 1.587 1.00 0.00 C ATOM 1542 C LEU A 99 -6.961 -0.815 0.714 1.00 0.00 C ATOM 1543 O LEU A 99 -7.260 0.003 -0.155 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.595 -1.523 1.112 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.181 -1.107 1.519 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.188 -2.216 1.207 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.781 0.183 0.818 1.00 0.00 C ATOM 0 H LEU A 99 -5.290 -1.354 3.498 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.410 0.428 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.780 -2.527 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.636 -1.582 0.024 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.171 -0.930 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.187 -1.902 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.464 -3.116 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.201 -2.425 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.772 0.463 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.809 0.034 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.476 0.977 1.093 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.674 -1.911 0.954 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.876 -2.221 0.190 1.00 0.00 C ATOM 1561 C GLN A 100 -9.917 -1.116 0.340 1.00 0.00 C ATOM 1562 O GLN A 100 -10.381 -0.550 -0.649 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.465 -3.557 0.646 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.745 -4.767 0.073 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.375 -6.078 0.500 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.276 -6.592 -0.164 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -8.904 -6.627 1.613 1.00 0.00 N ATOM 0 H GLN A 100 -7.440 -2.598 1.671 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.599 -2.294 -0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.432 -3.607 1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.515 -3.599 0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.748 -4.705 -1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.703 -4.749 0.391 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.156 -6.166 2.132 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.290 -7.509 1.949 1.00 0.00 H new ATOM 1576 N MET A 101 -10.278 -0.815 1.583 1.00 0.00 N ATOM 1577 CA MET A 101 -11.263 0.224 1.861 1.00 0.00 C ATOM 1578 C MET A 101 -11.123 1.383 0.879 1.00 0.00 C ATOM 1579 O MET A 101 -12.116 1.887 0.353 1.00 0.00 O ATOM 1580 CB MET A 101 -11.107 0.734 3.295 1.00 0.00 C ATOM 1581 CG MET A 101 -11.529 -0.277 4.349 1.00 0.00 C ATOM 1582 SD MET A 101 -13.190 -0.921 4.068 1.00 0.00 S ATOM 1583 CE MET A 101 -12.822 -2.599 3.562 1.00 0.00 C ATOM 0 H MET A 101 -9.904 -1.275 2.413 1.00 0.00 H new ATOM 0 HA MET A 101 -12.256 -0.211 1.743 1.00 0.00 H new ATOM 0 HB2 MET A 101 -10.066 1.008 3.463 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.699 1.641 3.416 1.00 0.00 H new ATOM 0 HG2 MET A 101 -10.819 -1.104 4.358 1.00 0.00 H new ATOM 0 HG3 MET A 101 -11.486 0.190 5.333 1.00 0.00 H new ATOM 0 HE1 MET A 101 -13.752 -3.128 3.352 1.00 0.00 H new ATOM 0 HE2 MET A 101 -12.204 -2.581 2.664 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.286 -3.111 4.361 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.886 1.802 0.637 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.616 2.901 -0.282 1.00 0.00 C ATOM 1595 C LYS A 102 -10.099 2.565 -1.689 1.00 0.00 C ATOM 1596 O LYS A 102 -10.845 3.331 -2.299 1.00 0.00 O ATOM 1597 CB LYS A 102 -8.118 3.216 -0.307 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.512 3.397 1.073 1.00 0.00 C ATOM 1599 CD LYS A 102 -8.068 4.629 1.769 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.360 4.889 3.090 1.00 0.00 C ATOM 1601 NZ LYS A 102 -8.030 4.195 4.224 1.00 0.00 N ATOM 0 H LYS A 102 -9.054 1.397 1.065 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.160 3.778 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.594 2.410 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.956 4.124 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.714 2.514 1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.429 3.484 0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.958 5.497 1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.135 4.498 1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.325 4.554 3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.335 5.961 3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.518 4.397 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.010 4.533 4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.031 3.169 4.051 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.671 1.414 -2.198 1.00 0.00 N ATOM 1616 CA ARG A 103 -10.061 0.977 -3.533 1.00 0.00 C ATOM 1617 C ARG A 103 -11.527 0.555 -3.560 1.00 0.00 C ATOM 1618 O ARG A 103 -12.340 1.149 -4.269 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.176 -0.184 -3.991 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.703 -0.901 -5.223 1.00 0.00 C ATOM 1621 CD ARG A 103 -8.985 -2.223 -5.447 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.791 -3.157 -6.230 1.00 0.00 N ATOM 1623 CZ ARG A 103 -10.789 -3.872 -5.721 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -11.103 -3.759 -4.438 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -11.475 -4.701 -6.497 1.00 0.00 N ATOM 0 H ARG A 103 -9.054 0.768 -1.706 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.930 1.816 -4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.175 0.194 -4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.081 -0.901 -3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.772 -1.081 -5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.576 -0.264 -6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.041 -2.040 -5.960 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.743 -2.672 -4.484 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.576 -3.266 -7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -10.578 -3.122 -3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.869 -4.309 -4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.237 -4.790 -7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.241 -5.250 -6.106 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.856 -0.472 -2.786 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.224 -0.974 -2.722 1.00 0.00 C ATOM 1641 C TRP A 104 -14.224 0.177 -2.671 1.00 0.00 C ATOM 1642 O TRP A 104 -15.265 0.134 -3.325 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.402 -1.875 -1.499 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.819 -1.946 -1.015 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.791 -2.803 -1.447 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.423 -1.127 -0.008 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.962 -2.566 -0.770 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.762 -1.543 0.120 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -14.962 -0.084 0.800 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.643 -0.951 1.021 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.837 0.503 1.694 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -17.164 0.068 1.800 1.00 0.00 C ATOM 0 H TRP A 104 -11.194 -0.974 -2.194 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.414 -1.556 -3.624 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -13.058 -2.880 -1.744 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.768 -1.509 -0.692 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.658 -3.556 -2.209 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.838 -3.070 -0.907 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.940 0.257 0.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.667 -1.284 1.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.492 1.311 2.322 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.823 0.546 2.510 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.900 1.202 -1.890 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.771 2.364 -1.755 1.00 0.00 C ATOM 1665 C GLU A 105 -15.134 2.934 -3.123 1.00 0.00 C ATOM 1666 O GLU A 105 -16.308 3.150 -3.426 1.00 0.00 O ATOM 1667 CB GLU A 105 -14.094 3.441 -0.904 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.327 3.273 0.588 1.00 0.00 C ATOM 1669 CD GLU A 105 -15.572 3.993 1.068 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -15.599 5.240 1.002 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -16.520 3.311 1.510 1.00 0.00 O ATOM 0 H GLU A 105 -13.042 1.252 -1.341 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.688 2.043 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -13.022 3.426 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.461 4.420 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.413 2.212 0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.461 3.650 1.132 1.00 0.00 H new ATOM 1678 N PHE A 106 -14.118 3.177 -3.945 1.00 0.00 N ATOM 1679 CA PHE A 106 -14.329 3.723 -5.280 1.00 0.00 C ATOM 1680 C PHE A 106 -15.295 2.853 -6.078 1.00 0.00 C ATOM 1681 O PHE A 106 -16.162 3.360 -6.791 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.996 3.839 -6.023 1.00 0.00 C ATOM 1683 CG PHE A 106 -13.142 3.848 -7.518 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -13.624 4.969 -8.173 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.798 2.735 -8.267 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -13.760 4.981 -9.549 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.930 2.741 -9.643 1.00 0.00 C ATOM 1688 CZ PHE A 106 -13.413 3.865 -10.285 1.00 0.00 C ATOM 0 H PHE A 106 -13.141 3.004 -3.710 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.766 4.716 -5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.493 4.754 -5.710 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.354 3.007 -5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -13.897 5.844 -7.602 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -12.422 1.853 -7.770 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -14.137 5.862 -10.047 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.656 1.868 -10.216 1.00 0.00 H new ATOM 0 HZ PHE A 106 -13.519 3.871 -11.360 1.00 0.00 H new ATOM 1698 N HIS A 107 -15.140 1.539 -5.953 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.998 0.596 -6.662 1.00 0.00 C ATOM 1700 C HIS A 107 -17.425 0.651 -6.125 1.00 0.00 C ATOM 1701 O HIS A 107 -18.387 0.669 -6.892 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.447 -0.824 -6.534 1.00 0.00 C ATOM 1703 CG HIS A 107 -14.131 -1.020 -7.222 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -13.974 -0.924 -8.588 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -12.905 -1.306 -6.723 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.709 -1.144 -8.900 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -12.039 -1.378 -7.786 1.00 0.00 N ATOM 0 H HIS A 107 -14.428 1.103 -5.367 1.00 0.00 H new ATOM 0 HA HIS A 107 -16.013 0.878 -7.715 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.335 -1.068 -5.477 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.172 -1.525 -6.948 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -14.718 -0.716 -9.254 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.655 -1.451 -5.682 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.293 -1.134 -9.897 1.00 0.00 H new