USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 602 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 16 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 MET CE :methyl 164:sc= -0.0397 (180deg=-0.51) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -124:sc= -3.84! USER MOD Single : A 15 CYS SG : rot 30:sc= 0.0804 USER MOD Single : A 26 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.2!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.713 K(o=-0.71,f=-1.4!) USER MOD Single : A 34 CYS SG : rot -37:sc= 0.17 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -105:sc= -1.03 (180deg=-4.29!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.924 F(o=-1.5,f=-0.92) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.089 F(o=-1.1,f=-0.089) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.78!) USER MOD Single : A 75 CYS SG : rot 50:sc= -5.25! USER MOD Single : A 81 THR OG1 : rot 161:sc= -1.24 USER MOD Single : A 88 SER OG : rot 84:sc= 0.525 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc=-0.00145 X(o=-0.0014,f=0) USER MOD Single : A 94 CYS SG : rot 47:sc= 0.0865 USER MOD Single : A 95 GLN : amide:sc= -1.47 K(o=-1.5,f=-7.1!) USER MOD Single : A 99 THR OG1 : rot -164:sc= -1.7 USER MOD Single : A 100 TYR OH : rot -138:sc= 0.532 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 -11.666 -17.015 -5.693 1.00 0.00 N ATOM 75 CA LYS A 6 -10.971 -15.743 -5.536 1.00 0.00 C ATOM 76 C LYS A 6 -9.491 -15.889 -5.879 1.00 0.00 C ATOM 77 O LYS A 6 -8.849 -16.869 -5.501 1.00 0.00 O ATOM 78 CB LYS A 6 -11.137 -15.224 -4.106 1.00 0.00 C ATOM 79 CG LYS A 6 -12.561 -15.317 -3.587 1.00 0.00 C ATOM 80 CD LYS A 6 -13.425 -14.190 -4.130 1.00 0.00 C ATOM 81 CE LYS A 6 -14.248 -13.537 -3.030 1.00 0.00 C ATOM 82 NZ LYS A 6 -15.534 -14.249 -2.800 1.00 0.00 N ATOM 0 HA LYS A 6 -11.411 -15.023 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.480 -15.789 -3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.812 -14.184 -4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.992 -16.277 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.556 -15.281 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.791 -13.441 -4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.090 -14.579 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.671 -13.523 -2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.450 -12.499 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.064 -13.772 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.096 -14.241 -3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.341 -15.232 -2.521 1.00 0.00 H new ATOM 96 N ILE A 7 -8.958 -14.909 -6.605 1.00 0.00 N ATOM 97 CA ILE A 7 -7.555 -14.930 -7.010 1.00 0.00 C ATOM 98 C ILE A 7 -6.632 -14.496 -5.874 1.00 0.00 C ATOM 99 O ILE A 7 -5.441 -14.807 -5.880 1.00 0.00 O ATOM 100 CB ILE A 7 -7.307 -14.020 -8.226 1.00 0.00 C ATOM 101 CG1 ILE A 7 -7.770 -12.591 -7.929 1.00 0.00 C ATOM 102 CG2 ILE A 7 -8.018 -14.573 -9.452 1.00 0.00 C ATOM 103 CD1 ILE A 7 -6.638 -11.589 -7.869 1.00 0.00 C ATOM 0 H ILE A 7 -9.476 -14.091 -6.925 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.329 -15.962 -7.278 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.237 -13.995 -8.431 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.479 -12.281 -8.697 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.304 -12.581 -6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.834 -13.920 -10.305 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.641 -15.572 -9.672 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.090 -14.625 -9.259 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.040 -10.599 -7.655 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.940 -11.875 -7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.118 -11.570 -8.827 1.00 0.00 H new ATOM 115 N PHE A 8 -7.184 -13.777 -4.903 1.00 0.00 N ATOM 116 CA PHE A 8 -6.401 -13.304 -3.769 1.00 0.00 C ATOM 117 C PHE A 8 -6.495 -14.283 -2.602 1.00 0.00 C ATOM 118 O PHE A 8 -5.524 -14.477 -1.871 1.00 0.00 O ATOM 119 CB PHE A 8 -6.874 -11.908 -3.348 1.00 0.00 C ATOM 120 CG PHE A 8 -6.426 -10.805 -4.278 1.00 0.00 C ATOM 121 CD1 PHE A 8 -5.244 -10.912 -4.999 1.00 0.00 C ATOM 122 CD2 PHE A 8 -7.193 -9.660 -4.431 1.00 0.00 C ATOM 123 CE1 PHE A 8 -4.840 -9.902 -5.849 1.00 0.00 C ATOM 124 CE2 PHE A 8 -6.792 -8.647 -5.281 1.00 0.00 C ATOM 125 CZ PHE A 8 -5.614 -8.769 -5.992 1.00 0.00 C ATOM 0 H PHE A 8 -8.168 -13.510 -4.879 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.355 -13.240 -4.070 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.963 -11.905 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.504 -11.697 -2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.633 -11.796 -4.893 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.116 -9.559 -3.879 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.918 -9.999 -6.402 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.399 -7.760 -5.389 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.300 -7.979 -6.658 1.00 0.00 H new ATOM 135 N ARG A 9 -7.668 -14.908 -2.446 1.00 0.00 N ATOM 136 CA ARG A 9 -7.911 -15.891 -1.380 1.00 0.00 C ATOM 137 C ARG A 9 -7.052 -15.622 -0.150 1.00 0.00 C ATOM 138 O ARG A 9 -6.023 -16.267 0.056 1.00 0.00 O ATOM 139 CB ARG A 9 -7.654 -17.311 -1.896 1.00 0.00 C ATOM 140 CG ARG A 9 -6.259 -17.517 -2.467 1.00 0.00 C ATOM 141 CD ARG A 9 -5.497 -18.593 -1.709 1.00 0.00 C ATOM 142 NE ARG A 9 -4.126 -18.738 -2.198 1.00 0.00 N ATOM 143 CZ ARG A 9 -3.145 -19.301 -1.498 1.00 0.00 C ATOM 144 NH1 ARG A 9 -3.374 -19.774 -0.278 1.00 0.00 N ATOM 145 NH2 ARG A 9 -1.928 -19.391 -2.017 1.00 0.00 N ATOM 0 H ARG A 9 -8.473 -14.749 -3.052 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.956 -15.796 -1.083 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.810 -18.017 -1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.389 -17.546 -2.666 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.333 -17.795 -3.518 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.705 -16.579 -2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.480 -18.346 -0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.020 -19.545 -1.806 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.909 -18.387 -3.131 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.307 -19.707 0.128 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.617 -20.204 0.253 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.744 -19.029 -2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.175 -19.823 -1.481 1.00 0.00 H new ATOM 159 N GLY A 10 -7.474 -14.658 0.655 1.00 0.00 N ATOM 160 CA GLY A 10 -6.725 -14.310 1.847 1.00 0.00 C ATOM 161 C GLY A 10 -5.649 -13.290 1.549 1.00 0.00 C ATOM 162 O GLY A 10 -4.462 -13.613 1.527 1.00 0.00 O ATOM 0 H GLY A 10 -8.321 -14.110 0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.404 -13.914 2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.271 -15.207 2.267 1.00 0.00 H new ATOM 166 N LEU A 11 -6.073 -12.061 1.301 1.00 0.00 N ATOM 167 CA LEU A 11 -5.152 -10.982 0.980 1.00 0.00 C ATOM 168 C LEU A 11 -5.642 -9.661 1.565 1.00 0.00 C ATOM 169 O LEU A 11 -6.841 -9.465 1.756 1.00 0.00 O ATOM 170 CB LEU A 11 -5.009 -10.867 -0.540 1.00 0.00 C ATOM 171 CG LEU A 11 -3.649 -10.381 -1.036 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.433 -10.793 -2.484 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.536 -8.871 -0.886 1.00 0.00 C ATOM 0 H LEU A 11 -7.055 -11.785 1.316 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.180 -11.207 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.210 -11.843 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.776 -10.186 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.873 -10.845 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.459 -10.439 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.471 -11.879 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.214 -10.356 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.561 -8.542 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.319 -8.388 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.647 -8.600 0.164 1.00 0.00 H new ATOM 185 N GLU A 12 -4.708 -8.758 1.848 1.00 0.00 N ATOM 186 CA GLU A 12 -5.049 -7.456 2.412 1.00 0.00 C ATOM 187 C GLU A 12 -4.398 -6.335 1.609 1.00 0.00 C ATOM 188 O GLU A 12 -3.175 -6.269 1.500 1.00 0.00 O ATOM 189 CB GLU A 12 -4.606 -7.378 3.874 1.00 0.00 C ATOM 190 CG GLU A 12 -5.691 -7.782 4.859 1.00 0.00 C ATOM 191 CD GLU A 12 -5.452 -7.225 6.249 1.00 0.00 C ATOM 192 OE1 GLU A 12 -4.466 -7.641 6.894 1.00 0.00 O ATOM 193 OE2 GLU A 12 -6.250 -6.373 6.693 1.00 0.00 O ATOM 0 H GLU A 12 -3.710 -8.904 1.696 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.131 -7.335 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.738 -8.022 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.287 -6.359 4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.657 -7.434 4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.743 -8.870 4.911 1.00 0.00 H new ATOM 200 N ILE A 13 -5.220 -5.455 1.046 1.00 0.00 N ATOM 201 CA ILE A 13 -4.712 -4.341 0.252 1.00 0.00 C ATOM 202 C ILE A 13 -5.306 -3.014 0.706 1.00 0.00 C ATOM 203 O ILE A 13 -6.525 -2.842 0.734 1.00 0.00 O ATOM 204 CB ILE A 13 -5.016 -4.534 -1.248 1.00 0.00 C ATOM 205 CG1 ILE A 13 -4.545 -5.909 -1.719 1.00 0.00 C ATOM 206 CG2 ILE A 13 -4.360 -3.434 -2.068 1.00 0.00 C ATOM 207 CD1 ILE A 13 -5.629 -6.706 -2.408 1.00 0.00 C ATOM 0 H ILE A 13 -6.236 -5.491 1.124 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.633 -4.321 0.402 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.095 -4.475 -1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.705 -5.784 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.177 -6.473 -0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.584 -3.585 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.744 -2.465 -1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.281 -3.463 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.229 -7.672 -2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.460 -6.861 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.980 -6.161 -3.284 1.00 0.00 H new ATOM 219 N CYS A 14 -4.435 -2.075 1.059 1.00 0.00 N ATOM 220 CA CYS A 14 -4.868 -0.760 1.505 1.00 0.00 C ATOM 221 C CYS A 14 -4.526 0.306 0.469 1.00 0.00 C ATOM 222 O CYS A 14 -3.436 0.302 -0.103 1.00 0.00 O ATOM 223 CB CYS A 14 -4.224 -0.417 2.847 1.00 0.00 C ATOM 224 SG CYS A 14 -2.432 -0.170 2.771 1.00 0.00 S ATOM 0 H CYS A 14 -3.423 -2.203 1.044 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.951 -0.782 1.628 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.688 0.488 3.239 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.439 -1.217 3.555 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.848 -0.966 3.617 1.00 0.00 H new ATOM 230 N CYS A 15 -5.463 1.217 0.238 1.00 0.00 N ATOM 231 CA CYS A 15 -5.262 2.290 -0.725 1.00 0.00 C ATOM 232 C CYS A 15 -4.770 3.551 -0.026 1.00 0.00 C ATOM 233 O CYS A 15 -5.529 4.219 0.678 1.00 0.00 O ATOM 234 CB CYS A 15 -6.563 2.581 -1.476 1.00 0.00 C ATOM 235 SG CYS A 15 -7.956 3.010 -0.406 1.00 0.00 S ATOM 0 H CYS A 15 -6.370 1.233 0.705 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.505 1.971 -1.441 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.391 3.399 -2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.831 1.706 -2.069 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.515 3.600 0.665 1.00 0.00 H new ATOM 241 N TYR A 16 -3.495 3.869 -0.217 1.00 0.00 N ATOM 242 CA TYR A 16 -2.906 5.048 0.404 1.00 0.00 C ATOM 243 C TYR A 16 -2.971 6.248 -0.535 1.00 0.00 C ATOM 244 O TYR A 16 -2.300 6.277 -1.568 1.00 0.00 O ATOM 245 CB TYR A 16 -1.455 4.772 0.800 1.00 0.00 C ATOM 246 CG TYR A 16 -0.899 5.765 1.794 1.00 0.00 C ATOM 247 CD1 TYR A 16 -1.081 5.589 3.159 1.00 0.00 C ATOM 248 CD2 TYR A 16 -0.190 6.881 1.367 1.00 0.00 C ATOM 249 CE1 TYR A 16 -0.574 6.494 4.071 1.00 0.00 C ATOM 250 CE2 TYR A 16 0.321 7.792 2.272 1.00 0.00 C ATOM 251 CZ TYR A 16 0.126 7.595 3.622 1.00 0.00 C ATOM 252 OH TYR A 16 0.633 8.500 4.526 1.00 0.00 O ATOM 0 H TYR A 16 -2.851 3.329 -0.795 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.481 5.280 1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.387 3.770 1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.835 4.782 -0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.629 4.729 3.514 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.036 7.039 0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.725 6.341 5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.870 8.654 1.923 1.00 0.00 H new ATOM 0 HH TYR A 16 1.100 9.216 4.046 1.00 0.00 H new ATOM 262 N GLY A 17 -3.786 7.233 -0.171 1.00 0.00 N ATOM 263 CA GLY A 17 -3.926 8.422 -0.990 1.00 0.00 C ATOM 264 C GLY A 17 -5.120 8.342 -1.925 1.00 0.00 C ATOM 265 O GLY A 17 -5.716 7.277 -2.082 1.00 0.00 O ATOM 0 H GLY A 17 -4.352 7.228 0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.031 9.294 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.018 8.566 -1.576 1.00 0.00 H new ATOM 269 N PRO A 18 -5.496 9.464 -2.563 1.00 0.00 N ATOM 270 CA PRO A 18 -6.630 9.507 -3.486 1.00 0.00 C ATOM 271 C PRO A 18 -6.270 9.015 -4.888 1.00 0.00 C ATOM 272 O PRO A 18 -7.120 8.983 -5.777 1.00 0.00 O ATOM 273 CB PRO A 18 -6.980 10.992 -3.517 1.00 0.00 C ATOM 274 CG PRO A 18 -5.675 11.684 -3.314 1.00 0.00 C ATOM 275 CD PRO A 18 -4.845 10.783 -2.432 1.00 0.00 C ATOM 0 HA PRO A 18 -7.445 8.858 -3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.436 11.273 -4.466 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.692 11.249 -2.733 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.177 11.860 -4.267 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.821 12.658 -2.846 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.806 10.750 -2.759 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.843 11.127 -1.398 1.00 0.00 H new ATOM 283 N PHE A 19 -5.008 8.636 -5.078 1.00 0.00 N ATOM 284 CA PHE A 19 -4.539 8.150 -6.373 1.00 0.00 C ATOM 285 C PHE A 19 -4.647 9.240 -7.434 1.00 0.00 C ATOM 286 O PHE A 19 -3.659 9.897 -7.767 1.00 0.00 O ATOM 287 CB PHE A 19 -5.334 6.913 -6.803 1.00 0.00 C ATOM 288 CG PHE A 19 -4.992 5.679 -6.015 1.00 0.00 C ATOM 289 CD1 PHE A 19 -5.129 5.665 -4.637 1.00 0.00 C ATOM 290 CD2 PHE A 19 -4.533 4.536 -6.652 1.00 0.00 C ATOM 291 CE1 PHE A 19 -4.815 4.534 -3.908 1.00 0.00 C ATOM 292 CE2 PHE A 19 -4.218 3.402 -5.927 1.00 0.00 C ATOM 293 CZ PHE A 19 -4.359 3.402 -4.554 1.00 0.00 C ATOM 0 H PHE A 19 -4.292 8.656 -4.352 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.490 7.873 -6.270 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.399 7.120 -6.696 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.151 6.722 -7.860 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.485 6.548 -4.127 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.420 4.532 -7.726 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.926 4.535 -2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.862 2.517 -6.434 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.113 2.517 -3.985 1.00 0.00 H new ATOM 376 N ASP A 25 -13.535 3.700 -2.510 1.00 0.00 N ATOM 377 CA ASP A 25 -14.285 2.551 -2.021 1.00 0.00 C ATOM 378 C ASP A 25 -14.528 1.567 -3.155 1.00 0.00 C ATOM 379 O ASP A 25 -14.788 0.385 -2.930 1.00 0.00 O ATOM 380 CB ASP A 25 -15.616 2.998 -1.415 1.00 0.00 C ATOM 381 CG ASP A 25 -15.475 3.443 0.027 1.00 0.00 C ATOM 382 OD1 ASP A 25 -14.666 4.357 0.290 1.00 0.00 O ATOM 383 OD2 ASP A 25 -16.175 2.879 0.894 1.00 0.00 O ATOM 0 HA ASP A 25 -13.700 2.059 -1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.024 3.817 -2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.331 2.177 -1.471 1.00 0.00 H new ATOM 388 N GLN A 26 -14.431 2.071 -4.379 1.00 0.00 N ATOM 389 CA GLN A 26 -14.626 1.257 -5.562 1.00 0.00 C ATOM 390 C GLN A 26 -13.393 0.402 -5.824 1.00 0.00 C ATOM 391 O GLN A 26 -13.495 -0.719 -6.321 1.00 0.00 O ATOM 392 CB GLN A 26 -14.912 2.159 -6.761 1.00 0.00 C ATOM 393 CG GLN A 26 -15.956 1.598 -7.709 1.00 0.00 C ATOM 394 CD GLN A 26 -15.779 2.093 -9.132 1.00 0.00 C ATOM 395 OE1 GLN A 26 -14.693 2.520 -9.522 1.00 0.00 O ATOM 396 NE2 GLN A 26 -16.851 2.038 -9.915 1.00 0.00 N ATOM 0 H GLN A 26 -14.216 3.049 -4.574 1.00 0.00 H new ATOM 0 HA GLN A 26 -15.476 0.593 -5.404 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -15.246 3.132 -6.401 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.985 2.323 -7.311 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.904 0.509 -7.698 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.949 1.873 -7.354 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.732 1.676 -9.549 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -16.793 2.358 -10.882 1.00 0.00 H new ATOM 405 N LEU A 27 -12.228 0.938 -5.474 1.00 0.00 N ATOM 406 CA LEU A 27 -10.973 0.222 -5.659 1.00 0.00 C ATOM 407 C LEU A 27 -10.875 -0.939 -4.678 1.00 0.00 C ATOM 408 O LEU A 27 -10.593 -2.072 -5.068 1.00 0.00 O ATOM 409 CB LEU A 27 -9.785 1.168 -5.473 1.00 0.00 C ATOM 410 CG LEU A 27 -8.409 0.511 -5.600 1.00 0.00 C ATOM 411 CD1 LEU A 27 -8.220 -0.065 -6.994 1.00 0.00 C ATOM 412 CD2 LEU A 27 -7.309 1.513 -5.282 1.00 0.00 C ATOM 0 H LEU A 27 -12.128 1.865 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.949 -0.173 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.858 1.968 -6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.860 1.632 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.349 -0.305 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.236 -0.528 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.988 -0.814 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.300 0.734 -7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.337 1.029 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.367 2.350 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.434 1.879 -4.263 1.00 0.00 H new ATOM 424 N GLU A 28 -11.118 -0.652 -3.402 1.00 0.00 N ATOM 425 CA GLU A 28 -11.063 -1.684 -2.371 1.00 0.00 C ATOM 426 C GLU A 28 -12.090 -2.775 -2.652 1.00 0.00 C ATOM 427 O GLU A 28 -11.904 -3.931 -2.271 1.00 0.00 O ATOM 428 CB GLU A 28 -11.291 -1.084 -0.983 1.00 0.00 C ATOM 429 CG GLU A 28 -12.359 -0.003 -0.944 1.00 0.00 C ATOM 430 CD GLU A 28 -13.354 -0.206 0.183 1.00 0.00 C ATOM 431 OE1 GLU A 28 -13.961 -1.295 0.248 1.00 0.00 O ATOM 432 OE2 GLU A 28 -13.526 0.724 0.998 1.00 0.00 O ATOM 0 H GLU A 28 -11.353 0.279 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.068 -2.128 -2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.571 -1.882 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.352 -0.666 -0.621 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.882 0.970 -0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.891 0.011 -1.895 1.00 0.00 H new ATOM 439 N TRP A 29 -13.169 -2.410 -3.335 1.00 0.00 N ATOM 440 CA TRP A 29 -14.205 -3.371 -3.681 1.00 0.00 C ATOM 441 C TRP A 29 -13.642 -4.403 -4.650 1.00 0.00 C ATOM 442 O TRP A 29 -13.773 -5.610 -4.445 1.00 0.00 O ATOM 443 CB TRP A 29 -15.408 -2.654 -4.304 1.00 0.00 C ATOM 444 CG TRP A 29 -16.246 -3.534 -5.183 1.00 0.00 C ATOM 445 CD1 TRP A 29 -17.021 -4.580 -4.786 1.00 0.00 C ATOM 446 CD2 TRP A 29 -16.380 -3.449 -6.607 1.00 0.00 C ATOM 447 NE1 TRP A 29 -17.640 -5.149 -5.873 1.00 0.00 N ATOM 448 CE2 TRP A 29 -17.262 -4.473 -7.002 1.00 0.00 C ATOM 449 CE3 TRP A 29 -15.845 -2.606 -7.585 1.00 0.00 C ATOM 450 CZ2 TRP A 29 -17.619 -4.676 -8.333 1.00 0.00 C ATOM 451 CZ3 TRP A 29 -16.200 -2.809 -8.906 1.00 0.00 C ATOM 452 CH2 TRP A 29 -17.080 -3.836 -9.269 1.00 0.00 C ATOM 0 H TRP A 29 -13.347 -1.459 -3.658 1.00 0.00 H new ATOM 0 HA TRP A 29 -14.539 -3.878 -2.776 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -16.033 -2.252 -3.507 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -15.051 -1.806 -4.888 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -17.133 -4.914 -3.765 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -18.277 -5.945 -5.844 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -15.167 -1.811 -7.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -18.297 -5.468 -8.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -15.792 -2.165 -9.671 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -17.339 -3.968 -10.309 1.00 0.00 H new ATOM 463 N MET A 30 -13.008 -3.907 -5.704 1.00 0.00 N ATOM 464 CA MET A 30 -12.409 -4.764 -6.719 1.00 0.00 C ATOM 465 C MET A 30 -11.501 -5.810 -6.080 1.00 0.00 C ATOM 466 O MET A 30 -11.635 -7.005 -6.347 1.00 0.00 O ATOM 467 CB MET A 30 -11.617 -3.925 -7.723 1.00 0.00 C ATOM 468 CG MET A 30 -12.471 -2.941 -8.506 1.00 0.00 C ATOM 469 SD MET A 30 -11.503 -1.941 -9.653 1.00 0.00 S ATOM 470 CE MET A 30 -12.750 -0.803 -10.249 1.00 0.00 C ATOM 0 H MET A 30 -12.895 -2.909 -5.879 1.00 0.00 H new ATOM 0 HA MET A 30 -13.213 -5.280 -7.244 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.841 -3.375 -7.191 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.113 -4.592 -8.423 1.00 0.00 H new ATOM 0 HG2 MET A 30 -13.233 -3.488 -9.061 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.993 -2.285 -7.810 1.00 0.00 H new ATOM 0 HE1 MET A 30 -12.303 -0.118 -10.969 1.00 0.00 H new ATOM 0 HE2 MET A 30 -13.553 -1.362 -10.730 1.00 0.00 H new ATOM 0 HE3 MET A 30 -13.155 -0.235 -9.411 1.00 0.00 H new ATOM 480 N VAL A 31 -10.582 -5.359 -5.228 1.00 0.00 N ATOM 481 CA VAL A 31 -9.669 -6.273 -4.552 1.00 0.00 C ATOM 482 C VAL A 31 -10.450 -7.242 -3.674 1.00 0.00 C ATOM 483 O VAL A 31 -10.206 -8.449 -3.687 1.00 0.00 O ATOM 484 CB VAL A 31 -8.637 -5.525 -3.685 1.00 0.00 C ATOM 485 CG1 VAL A 31 -7.708 -4.688 -4.552 1.00 0.00 C ATOM 486 CG2 VAL A 31 -9.322 -4.654 -2.648 1.00 0.00 C ATOM 0 H VAL A 31 -10.452 -4.375 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.130 -6.819 -5.327 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.041 -6.271 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.988 -4.169 -3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.177 -5.337 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.292 -3.957 -5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.569 -4.139 -2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.953 -3.920 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.936 -5.277 -1.998 1.00 0.00 H new ATOM 496 N GLN A 32 -11.401 -6.701 -2.921 1.00 0.00 N ATOM 497 CA GLN A 32 -12.238 -7.507 -2.041 1.00 0.00 C ATOM 498 C GLN A 32 -12.983 -8.565 -2.847 1.00 0.00 C ATOM 499 O GLN A 32 -13.193 -9.686 -2.385 1.00 0.00 O ATOM 500 CB GLN A 32 -13.233 -6.612 -1.297 1.00 0.00 C ATOM 501 CG GLN A 32 -12.870 -6.377 0.160 1.00 0.00 C ATOM 502 CD GLN A 32 -13.850 -7.026 1.118 1.00 0.00 C ATOM 503 OE1 GLN A 32 -14.576 -7.950 0.751 1.00 0.00 O ATOM 504 NE2 GLN A 32 -13.874 -6.544 2.355 1.00 0.00 N ATOM 0 H GLN A 32 -11.612 -5.703 -2.903 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.601 -8.007 -1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.295 -5.651 -1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.223 -7.064 -1.347 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.870 -6.768 0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.835 -5.305 0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.254 -5.777 2.616 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.512 -6.941 3.045 1.00 0.00 H new ATOM 513 N LEU A 33 -13.370 -8.193 -4.060 1.00 0.00 N ATOM 514 CA LEU A 33 -14.082 -9.094 -4.957 1.00 0.00 C ATOM 515 C LEU A 33 -13.164 -10.207 -5.458 1.00 0.00 C ATOM 516 O LEU A 33 -13.630 -11.252 -5.912 1.00 0.00 O ATOM 517 CB LEU A 33 -14.653 -8.310 -6.139 1.00 0.00 C ATOM 518 CG LEU A 33 -15.479 -9.133 -7.128 1.00 0.00 C ATOM 519 CD1 LEU A 33 -16.736 -9.668 -6.460 1.00 0.00 C ATOM 520 CD2 LEU A 33 -15.836 -8.294 -8.345 1.00 0.00 C ATOM 0 H LEU A 33 -13.201 -7.265 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.900 -9.554 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.276 -7.504 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.828 -7.845 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.880 -9.982 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.311 -10.251 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.459 -10.302 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.341 -8.835 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -16.424 -8.893 -9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.418 -7.427 -8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.923 -7.959 -8.837 1.00 0.00 H new ATOM 532 N CYS A 34 -11.856 -9.966 -5.388 1.00 0.00 N ATOM 533 CA CYS A 34 -10.870 -10.936 -5.850 1.00 0.00 C ATOM 534 C CYS A 34 -10.391 -11.848 -4.720 1.00 0.00 C ATOM 535 O CYS A 34 -9.601 -12.762 -4.952 1.00 0.00 O ATOM 536 CB CYS A 34 -9.674 -10.212 -6.473 1.00 0.00 C ATOM 537 SG CYS A 34 -9.797 -9.990 -8.263 1.00 0.00 S ATOM 0 H CYS A 34 -11.456 -9.105 -5.015 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.354 -11.562 -6.600 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.569 -9.234 -6.003 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.766 -10.772 -6.249 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.348 -11.041 -8.794 1.00 0.00 H new ATOM 543 N GLY A 35 -10.867 -11.602 -3.499 1.00 0.00 N ATOM 544 CA GLY A 35 -10.469 -12.427 -2.370 1.00 0.00 C ATOM 545 C GLY A 35 -9.740 -11.648 -1.292 1.00 0.00 C ATOM 546 O GLY A 35 -9.597 -12.123 -0.165 1.00 0.00 O ATOM 0 H GLY A 35 -11.518 -10.850 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.355 -12.892 -1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.827 -13.233 -2.725 1.00 0.00 H new ATOM 550 N ALA A 36 -9.276 -10.453 -1.634 1.00 0.00 N ATOM 551 CA ALA A 36 -8.555 -9.615 -0.687 1.00 0.00 C ATOM 552 C ALA A 36 -9.500 -8.948 0.303 1.00 0.00 C ATOM 553 O ALA A 36 -10.713 -9.150 0.261 1.00 0.00 O ATOM 554 CB ALA A 36 -7.746 -8.566 -1.430 1.00 0.00 C ATOM 0 H ALA A 36 -9.387 -10.043 -2.561 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.879 -10.256 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.210 -7.944 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.031 -9.058 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.416 -7.942 -2.022 1.00 0.00 H new ATOM 560 N SER A 37 -8.924 -8.151 1.191 1.00 0.00 N ATOM 561 CA SER A 37 -9.693 -7.440 2.202 1.00 0.00 C ATOM 562 C SER A 37 -9.232 -5.989 2.298 1.00 0.00 C ATOM 563 O SER A 37 -8.034 -5.709 2.313 1.00 0.00 O ATOM 564 CB SER A 37 -9.550 -8.130 3.562 1.00 0.00 C ATOM 565 OG SER A 37 -10.817 -8.451 4.108 1.00 0.00 O ATOM 0 H SER A 37 -7.919 -7.980 1.232 1.00 0.00 H new ATOM 0 HA SER A 37 -10.743 -7.454 1.911 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.958 -9.038 3.452 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.009 -7.478 4.249 1.00 0.00 H new ATOM 0 HG SER A 37 -10.697 -8.892 4.975 1.00 0.00 H new ATOM 571 N VAL A 38 -10.189 -5.070 2.360 1.00 0.00 N ATOM 572 CA VAL A 38 -9.873 -3.651 2.450 1.00 0.00 C ATOM 573 C VAL A 38 -9.318 -3.300 3.826 1.00 0.00 C ATOM 574 O VAL A 38 -9.993 -3.472 4.841 1.00 0.00 O ATOM 575 CB VAL A 38 -11.115 -2.783 2.163 1.00 0.00 C ATOM 576 CG1 VAL A 38 -12.205 -3.041 3.194 1.00 0.00 C ATOM 577 CG2 VAL A 38 -10.741 -1.308 2.129 1.00 0.00 C ATOM 0 H VAL A 38 -11.187 -5.282 2.350 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.114 -3.442 1.696 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.505 -3.059 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.071 -2.418 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.495 -4.091 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.830 -2.799 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.630 -0.712 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.322 -1.017 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.003 -1.138 1.345 1.00 0.00 H new ATOM 587 N VAL A 39 -8.081 -2.814 3.854 1.00 0.00 N ATOM 588 CA VAL A 39 -7.432 -2.446 5.107 1.00 0.00 C ATOM 589 C VAL A 39 -7.627 -0.963 5.406 1.00 0.00 C ATOM 590 O VAL A 39 -7.198 -0.103 4.635 1.00 0.00 O ATOM 591 CB VAL A 39 -5.921 -2.757 5.075 1.00 0.00 C ATOM 592 CG1 VAL A 39 -5.409 -3.092 6.465 1.00 0.00 C ATOM 593 CG2 VAL A 39 -5.615 -3.892 4.106 1.00 0.00 C ATOM 0 H VAL A 39 -7.508 -2.666 3.023 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.899 -3.041 5.892 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.405 -1.863 4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.342 -3.308 6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.579 -2.245 7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.939 -3.965 6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.543 -4.090 4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.149 -4.790 4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.934 -3.610 3.103 1.00 0.00 H new ATOM 603 N LYS A 40 -8.279 -0.669 6.526 1.00 0.00 N ATOM 604 CA LYS A 40 -8.533 0.712 6.923 1.00 0.00 C ATOM 605 C LYS A 40 -7.232 1.493 7.057 1.00 0.00 C ATOM 606 O LYS A 40 -7.137 2.641 6.624 1.00 0.00 O ATOM 607 CB LYS A 40 -9.309 0.753 8.241 1.00 0.00 C ATOM 608 CG LYS A 40 -10.514 1.678 8.208 1.00 0.00 C ATOM 609 CD LYS A 40 -11.800 0.910 7.942 1.00 0.00 C ATOM 610 CE LYS A 40 -12.223 1.021 6.484 1.00 0.00 C ATOM 611 NZ LYS A 40 -11.325 0.245 5.582 1.00 0.00 N ATOM 0 H LYS A 40 -8.641 -1.368 7.175 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.133 1.181 6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.642 -0.255 8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.638 1.072 9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.594 2.206 9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.373 2.433 7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.659 -0.139 8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.594 1.294 8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.246 0.661 6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.220 2.069 6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.699 0.898 5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.751 -0.413 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.898 -0.293 4.900 1.00 0.00 H new ATOM 625 N GLU A 41 -6.231 0.863 7.659 1.00 0.00 N ATOM 626 CA GLU A 41 -4.933 1.499 7.852 1.00 0.00 C ATOM 627 C GLU A 41 -3.810 0.467 7.820 1.00 0.00 C ATOM 628 O GLU A 41 -4.057 -0.733 7.701 1.00 0.00 O ATOM 629 CB GLU A 41 -4.905 2.257 9.179 1.00 0.00 C ATOM 630 CG GLU A 41 -5.631 3.591 9.133 1.00 0.00 C ATOM 631 CD GLU A 41 -4.851 4.654 8.386 1.00 0.00 C ATOM 632 OE1 GLU A 41 -3.774 5.055 8.875 1.00 0.00 O ATOM 633 OE2 GLU A 41 -5.318 5.086 7.310 1.00 0.00 O ATOM 0 H GLU A 41 -6.293 -0.088 8.022 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.778 2.204 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.355 1.635 9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.868 2.427 9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.602 3.456 8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.820 3.933 10.151 1.00 0.00 H new ATOM 640 N LEU A 42 -2.575 0.945 7.930 1.00 0.00 N ATOM 641 CA LEU A 42 -1.411 0.065 7.916 1.00 0.00 C ATOM 642 C LEU A 42 -1.380 -0.812 9.164 1.00 0.00 C ATOM 643 O LEU A 42 -1.164 -2.020 9.080 1.00 0.00 O ATOM 644 CB LEU A 42 -0.123 0.888 7.823 1.00 0.00 C ATOM 645 CG LEU A 42 -0.137 1.996 6.769 1.00 0.00 C ATOM 646 CD1 LEU A 42 1.186 2.748 6.765 1.00 0.00 C ATOM 647 CD2 LEU A 42 -0.426 1.416 5.392 1.00 0.00 C ATOM 0 H LEU A 42 -2.354 1.936 8.030 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.484 -0.581 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.075 1.336 8.797 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.706 0.214 7.608 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.930 2.700 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.156 3.532 6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.353 3.195 7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.997 2.056 6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.432 2.218 4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.345 0.691 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.398 0.924 5.401 1.00 0.00 H new ATOM 659 N SER A 43 -1.600 -0.195 10.320 1.00 0.00 N ATOM 660 CA SER A 43 -1.600 -0.921 11.586 1.00 0.00 C ATOM 661 C SER A 43 -2.635 -2.042 11.573 1.00 0.00 C ATOM 662 O SER A 43 -2.518 -3.015 12.320 1.00 0.00 O ATOM 663 CB SER A 43 -1.882 0.037 12.745 1.00 0.00 C ATOM 664 OG SER A 43 -1.112 -0.302 13.885 1.00 0.00 O ATOM 0 H SER A 43 -1.780 0.805 10.407 1.00 0.00 H new ATOM 0 HA SER A 43 -0.614 -1.366 11.721 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.656 1.059 12.440 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.942 0.007 12.996 1.00 0.00 H new ATOM 0 HG SER A 43 -1.309 0.326 14.611 1.00 0.00 H new ATOM 670 N SER A 44 -3.647 -1.904 10.721 1.00 0.00 N ATOM 671 CA SER A 44 -4.698 -2.908 10.613 1.00 0.00 C ATOM 672 C SER A 44 -4.144 -4.227 10.081 1.00 0.00 C ATOM 673 O SER A 44 -4.713 -5.291 10.321 1.00 0.00 O ATOM 674 CB SER A 44 -5.820 -2.404 9.702 1.00 0.00 C ATOM 675 OG SER A 44 -7.007 -2.165 10.438 1.00 0.00 O ATOM 0 H SER A 44 -3.760 -1.106 10.096 1.00 0.00 H new ATOM 0 HA SER A 44 -5.101 -3.085 11.610 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.505 -1.486 9.206 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.015 -3.138 8.920 1.00 0.00 H new ATOM 0 HG SER A 44 -7.707 -1.842 9.833 1.00 0.00 H new ATOM 681 N PHE A 45 -3.031 -4.150 9.355 1.00 0.00 N ATOM 682 CA PHE A 45 -2.404 -5.339 8.787 1.00 0.00 C ATOM 683 C PHE A 45 -2.098 -6.368 9.872 1.00 0.00 C ATOM 684 O PHE A 45 -1.482 -6.050 10.888 1.00 0.00 O ATOM 685 CB PHE A 45 -1.116 -4.960 8.053 1.00 0.00 C ATOM 686 CG PHE A 45 -1.355 -4.345 6.704 1.00 0.00 C ATOM 687 CD1 PHE A 45 -2.104 -5.011 5.748 1.00 0.00 C ATOM 688 CD2 PHE A 45 -0.830 -3.101 6.393 1.00 0.00 C ATOM 689 CE1 PHE A 45 -2.327 -4.447 4.506 1.00 0.00 C ATOM 690 CE2 PHE A 45 -1.050 -2.532 5.154 1.00 0.00 C ATOM 691 CZ PHE A 45 -1.799 -3.205 4.209 1.00 0.00 C ATOM 0 H PHE A 45 -2.546 -3.277 9.147 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.104 -5.782 8.078 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.549 -4.260 8.667 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.500 -5.851 7.933 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.518 -5.982 5.976 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.242 -2.571 7.128 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.913 -4.976 3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.636 -1.561 4.924 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.972 -2.761 3.240 1.00 0.00 H new ATOM 762 N VAL A 51 -3.324 -15.001 5.087 1.00 0.00 N ATOM 763 CA VAL A 51 -3.582 -13.631 4.659 1.00 0.00 C ATOM 764 C VAL A 51 -2.280 -12.854 4.490 1.00 0.00 C ATOM 765 O VAL A 51 -1.576 -12.586 5.464 1.00 0.00 O ATOM 766 CB VAL A 51 -4.486 -12.886 5.659 1.00 0.00 C ATOM 767 CG1 VAL A 51 -5.941 -13.276 5.459 1.00 0.00 C ATOM 768 CG2 VAL A 51 -4.045 -13.162 7.089 1.00 0.00 C ATOM 0 HA VAL A 51 -4.094 -13.693 3.699 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.392 -11.816 5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.563 -12.739 6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.250 -13.020 4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.055 -14.349 5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.696 -12.627 7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.105 -14.232 7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.017 -12.825 7.224 1.00 0.00 H new ATOM 778 N HIS A 52 -1.966 -12.496 3.249 1.00 0.00 N ATOM 779 CA HIS A 52 -0.748 -11.751 2.954 1.00 0.00 C ATOM 780 C HIS A 52 -1.030 -10.250 2.888 1.00 0.00 C ATOM 781 O HIS A 52 -1.932 -9.814 2.173 1.00 0.00 O ATOM 782 CB HIS A 52 -0.144 -12.225 1.631 1.00 0.00 C ATOM 783 CG HIS A 52 1.333 -12.000 1.532 1.00 0.00 C ATOM 784 ND1 HIS A 52 2.326 -12.231 2.423 1.00 0.00 N flip ATOM 785 CD2 HIS A 52 1.941 -11.472 0.412 1.00 0.00 C flip ATOM 786 CE1 HIS A 52 3.503 -11.844 1.830 1.00 0.00 C flip ATOM 787 NE2 HIS A 52 3.244 -11.392 0.618 1.00 0.00 N flip ATOM 0 H HIS A 52 -2.538 -12.710 2.432 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.036 -11.935 3.758 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.350 -13.288 1.507 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.638 -11.707 0.809 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.432 -11.171 -0.492 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.482 -11.901 2.283 1.00 0.00 H new ATOM 0 HE2 HIS A 52 3.933 -11.040 -0.047 1.00 0.00 H new ATOM 796 N PRO A 53 -0.263 -9.436 3.636 1.00 0.00 N ATOM 797 CA PRO A 53 -0.443 -7.981 3.654 1.00 0.00 C ATOM 798 C PRO A 53 0.108 -7.310 2.401 1.00 0.00 C ATOM 799 O PRO A 53 1.209 -7.623 1.950 1.00 0.00 O ATOM 800 CB PRO A 53 0.349 -7.548 4.886 1.00 0.00 C ATOM 801 CG PRO A 53 1.425 -8.569 5.016 1.00 0.00 C ATOM 802 CD PRO A 53 0.836 -9.865 4.524 1.00 0.00 C ATOM 0 HA PRO A 53 -1.495 -7.699 3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.764 -6.548 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.282 -7.521 5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.299 -8.290 4.427 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.753 -8.659 6.051 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.574 -10.462 3.988 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.469 -10.476 5.348 1.00 0.00 H new ATOM 810 N ILE A 54 -0.667 -6.382 1.847 1.00 0.00 N ATOM 811 CA ILE A 54 -0.265 -5.657 0.647 1.00 0.00 C ATOM 812 C ILE A 54 -0.706 -4.198 0.722 1.00 0.00 C ATOM 813 O ILE A 54 -1.708 -3.877 1.359 1.00 0.00 O ATOM 814 CB ILE A 54 -0.862 -6.290 -0.626 1.00 0.00 C ATOM 815 CG1 ILE A 54 -0.630 -7.803 -0.634 1.00 0.00 C ATOM 816 CG2 ILE A 54 -0.264 -5.647 -1.869 1.00 0.00 C ATOM 817 CD1 ILE A 54 0.818 -8.198 -0.825 1.00 0.00 C ATOM 0 H ILE A 54 -1.581 -6.114 2.212 1.00 0.00 H new ATOM 0 HA ILE A 54 0.822 -5.712 0.594 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.937 -6.111 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.990 -8.221 0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.226 -8.248 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.696 -6.105 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.483 -4.579 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.816 -5.796 -1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.902 -9.285 -0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.178 -7.811 -1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.418 -7.783 -0.015 1.00 0.00 H new ATOM 829 N VAL A 55 0.045 -3.318 0.069 1.00 0.00 N ATOM 830 CA VAL A 55 -0.272 -1.893 0.064 1.00 0.00 C ATOM 831 C VAL A 55 -0.246 -1.334 -1.356 1.00 0.00 C ATOM 832 O VAL A 55 0.507 -1.810 -2.205 1.00 0.00 O ATOM 833 CB VAL A 55 0.718 -1.093 0.936 1.00 0.00 C ATOM 834 CG1 VAL A 55 0.320 0.375 0.993 1.00 0.00 C ATOM 835 CG2 VAL A 55 0.798 -1.685 2.337 1.00 0.00 C ATOM 0 H VAL A 55 0.878 -3.566 -0.464 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.275 -1.788 0.478 1.00 0.00 H new ATOM 0 HB VAL A 55 1.706 -1.160 0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.031 0.921 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.322 0.792 -0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.678 0.465 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.501 -1.107 2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.187 -1.653 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.137 -2.719 2.276 1.00 0.00 H new ATOM 845 N VAL A 56 -1.073 -0.323 -1.610 1.00 0.00 N ATOM 846 CA VAL A 56 -1.135 0.291 -2.932 1.00 0.00 C ATOM 847 C VAL A 56 -0.794 1.780 -2.866 1.00 0.00 C ATOM 848 O VAL A 56 -0.871 2.397 -1.804 1.00 0.00 O ATOM 849 CB VAL A 56 -2.531 0.113 -3.561 1.00 0.00 C ATOM 850 CG1 VAL A 56 -2.598 0.738 -4.948 1.00 0.00 C ATOM 851 CG2 VAL A 56 -2.903 -1.360 -3.622 1.00 0.00 C ATOM 0 H VAL A 56 -1.705 0.086 -0.922 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.397 -0.213 -3.556 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.251 0.630 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.595 0.595 -5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.384 1.804 -4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.863 0.263 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.891 -1.467 -4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.171 -1.895 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.913 -1.775 -2.614 1.00 0.00 H new ATOM 861 N VAL A 57 -0.410 2.348 -4.007 1.00 0.00 N ATOM 862 CA VAL A 57 -0.050 3.763 -4.077 1.00 0.00 C ATOM 863 C VAL A 57 -0.377 4.356 -5.444 1.00 0.00 C ATOM 864 O VAL A 57 -0.900 3.672 -6.323 1.00 0.00 O ATOM 865 CB VAL A 57 1.449 3.981 -3.792 1.00 0.00 C ATOM 866 CG1 VAL A 57 1.682 4.203 -2.307 1.00 0.00 C ATOM 867 CG2 VAL A 57 2.279 2.810 -4.305 1.00 0.00 C ATOM 0 H VAL A 57 -0.340 1.851 -4.895 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.640 4.268 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 57 1.771 4.875 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.746 4.355 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.128 5.083 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.339 3.331 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.333 2.989 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.959 1.893 -3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.139 2.709 -5.381 1.00 0.00 H new ATOM 877 N GLN A 58 -0.059 5.639 -5.612 1.00 0.00 N ATOM 878 CA GLN A 58 -0.308 6.342 -6.869 1.00 0.00 C ATOM 879 C GLN A 58 -0.092 7.845 -6.704 1.00 0.00 C ATOM 880 O GLN A 58 -1.047 8.603 -6.529 1.00 0.00 O ATOM 881 CB GLN A 58 -1.729 6.068 -7.370 1.00 0.00 C ATOM 882 CG GLN A 58 -1.771 5.287 -8.673 1.00 0.00 C ATOM 883 CD GLN A 58 -2.299 6.110 -9.833 1.00 0.00 C ATOM 884 OE1 GLN A 58 -3.620 6.196 -9.946 1.00 0.00 O flip ATOM 885 NE2 GLN A 58 -1.529 6.663 -10.618 1.00 0.00 N flip ATOM 0 H GLN A 58 0.374 6.215 -4.889 1.00 0.00 H new ATOM 0 HA GLN A 58 0.402 5.969 -7.607 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.275 5.515 -6.606 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.247 7.017 -7.507 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.768 4.932 -8.911 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.399 4.405 -8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.521 6.571 -10.494 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.899 7.214 -11.393 1.00 0.00 H new ATOM 894 N PRO A 59 1.172 8.299 -6.757 1.00 0.00 N ATOM 895 CA PRO A 59 1.508 9.719 -6.613 1.00 0.00 C ATOM 896 C PRO A 59 1.080 10.541 -7.824 1.00 0.00 C ATOM 897 O PRO A 59 1.648 10.408 -8.909 1.00 0.00 O ATOM 898 CB PRO A 59 3.033 9.711 -6.486 1.00 0.00 C ATOM 899 CG PRO A 59 3.464 8.472 -7.190 1.00 0.00 C ATOM 900 CD PRO A 59 2.371 7.464 -6.962 1.00 0.00 C ATOM 0 HA PRO A 59 0.998 10.175 -5.764 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.473 10.598 -6.941 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.343 9.701 -5.441 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.607 8.658 -8.254 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.415 8.111 -6.798 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.255 6.797 -7.816 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.577 6.837 -6.094 1.00 0.00 H new ATOM 908 N ASP A 60 0.076 11.390 -7.633 1.00 0.00 N ATOM 909 CA ASP A 60 -0.426 12.233 -8.712 1.00 0.00 C ATOM 910 C ASP A 60 -1.445 13.240 -8.192 1.00 0.00 C ATOM 911 O ASP A 60 -1.442 14.405 -8.589 1.00 0.00 O ATOM 912 CB ASP A 60 -1.055 11.372 -9.809 1.00 0.00 C ATOM 913 CG ASP A 60 -0.755 11.894 -11.199 1.00 0.00 C ATOM 914 OD1 ASP A 60 0.330 12.483 -11.390 1.00 0.00 O ATOM 915 OD2 ASP A 60 -1.603 11.713 -12.099 1.00 0.00 O ATOM 0 H ASP A 60 -0.406 11.513 -6.742 1.00 0.00 H new ATOM 0 HA ASP A 60 0.417 12.783 -9.129 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.686 10.350 -9.721 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.135 11.335 -9.663 1.00 0.00 H new ATOM 1054 N ALA A 70 8.330 7.531 2.216 1.00 0.00 N ATOM 1055 CA ALA A 70 8.254 6.758 3.449 1.00 0.00 C ATOM 1056 C ALA A 70 7.009 5.876 3.479 1.00 0.00 C ATOM 1057 O ALA A 70 6.465 5.591 4.547 1.00 0.00 O ATOM 1058 CB ALA A 70 8.273 7.686 4.654 1.00 0.00 C ATOM 0 HA ALA A 70 9.126 6.105 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.216 7.096 5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.197 8.265 4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.420 8.363 4.605 1.00 0.00 H new ATOM 1064 N ILE A 71 6.563 5.441 2.305 1.00 0.00 N ATOM 1065 CA ILE A 71 5.383 4.589 2.207 1.00 0.00 C ATOM 1066 C ILE A 71 5.652 3.216 2.812 1.00 0.00 C ATOM 1067 O ILE A 71 5.076 2.854 3.838 1.00 0.00 O ATOM 1068 CB ILE A 71 4.929 4.413 0.746 1.00 0.00 C ATOM 1069 CG1 ILE A 71 4.876 5.767 0.033 1.00 0.00 C ATOM 1070 CG2 ILE A 71 3.571 3.729 0.698 1.00 0.00 C ATOM 1071 CD1 ILE A 71 4.101 6.824 0.792 1.00 0.00 C ATOM 0 H ILE A 71 6.999 5.664 1.410 1.00 0.00 H new ATOM 0 HA ILE A 71 4.588 5.085 2.765 1.00 0.00 H new ATOM 0 HB ILE A 71 5.654 3.784 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.894 6.122 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.424 5.633 -0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.260 3.610 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.640 2.749 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.838 4.337 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.106 7.756 0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.073 6.491 0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.565 6.987 1.765 1.00 0.00 H new ATOM 1083 N GLY A 72 6.537 2.457 2.172 1.00 0.00 N ATOM 1084 CA GLY A 72 6.872 1.134 2.664 1.00 0.00 C ATOM 1085 C GLY A 72 7.666 1.182 3.956 1.00 0.00 C ATOM 1086 O GLY A 72 7.704 0.206 4.704 1.00 0.00 O ATOM 0 H GLY A 72 7.027 2.735 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.956 0.566 2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.448 0.602 1.906 1.00 0.00 H new ATOM 1090 N GLN A 73 8.302 2.320 4.218 1.00 0.00 N ATOM 1091 CA GLN A 73 9.096 2.488 5.429 1.00 0.00 C ATOM 1092 C GLN A 73 8.201 2.607 6.658 1.00 0.00 C ATOM 1093 O GLN A 73 8.618 2.294 7.774 1.00 0.00 O ATOM 1094 CB GLN A 73 9.988 3.726 5.311 1.00 0.00 C ATOM 1095 CG GLN A 73 11.230 3.665 6.186 1.00 0.00 C ATOM 1096 CD GLN A 73 11.173 4.636 7.349 1.00 0.00 C ATOM 1097 OE1 GLN A 73 10.186 4.686 8.083 1.00 0.00 O ATOM 1098 NE2 GLN A 73 12.235 5.414 7.523 1.00 0.00 N ATOM 0 H GLN A 73 8.283 3.138 3.609 1.00 0.00 H new ATOM 0 HA GLN A 73 9.724 1.605 5.546 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.292 3.847 4.271 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.408 4.609 5.579 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.350 2.652 6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.109 3.883 5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.031 5.339 6.890 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.254 6.087 8.289 1.00 0.00 H new ATOM 1107 N MET A 74 6.969 3.062 6.449 1.00 0.00 N ATOM 1108 CA MET A 74 6.018 3.221 7.544 1.00 0.00 C ATOM 1109 C MET A 74 5.140 1.983 7.688 1.00 0.00 C ATOM 1110 O MET A 74 4.679 1.661 8.784 1.00 0.00 O ATOM 1111 CB MET A 74 5.142 4.455 7.311 1.00 0.00 C ATOM 1112 CG MET A 74 5.835 5.765 7.649 1.00 0.00 C ATOM 1113 SD MET A 74 5.039 7.189 6.879 1.00 0.00 S ATOM 1114 CE MET A 74 3.314 6.825 7.196 1.00 0.00 C ATOM 0 H MET A 74 6.606 3.327 5.533 1.00 0.00 H new ATOM 0 HA MET A 74 6.584 3.352 8.466 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.830 4.477 6.267 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.237 4.367 7.912 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.843 5.899 8.731 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.875 5.716 7.326 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.718 7.725 7.043 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.975 6.045 6.514 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.197 6.484 8.225 1.00 0.00 H new ATOM 1124 N CYS A 75 4.909 1.290 6.576 1.00 0.00 N ATOM 1125 CA CYS A 75 4.085 0.087 6.582 1.00 0.00 C ATOM 1126 C CYS A 75 4.950 -1.166 6.483 1.00 0.00 C ATOM 1127 O CYS A 75 6.074 -1.118 5.984 1.00 0.00 O ATOM 1128 CB CYS A 75 3.086 0.125 5.424 1.00 0.00 C ATOM 1129 SG CYS A 75 1.994 -1.315 5.344 1.00 0.00 S ATOM 0 H CYS A 75 5.281 1.542 5.660 1.00 0.00 H new ATOM 0 HA CYS A 75 3.538 0.054 7.524 1.00 0.00 H new ATOM 0 HB2 CYS A 75 2.477 1.025 5.513 1.00 0.00 H new ATOM 0 HB3 CYS A 75 3.636 0.203 4.486 1.00 0.00 H new ATOM 0 HG CYS A 75 1.464 -1.523 6.513 1.00 0.00 H new ATOM 1135 N GLU A 76 4.420 -2.286 6.961 1.00 0.00 N ATOM 1136 CA GLU A 76 5.144 -3.551 6.924 1.00 0.00 C ATOM 1137 C GLU A 76 4.647 -4.429 5.780 1.00 0.00 C ATOM 1138 O GLU A 76 4.590 -5.653 5.904 1.00 0.00 O ATOM 1139 CB GLU A 76 4.992 -4.291 8.254 1.00 0.00 C ATOM 1140 CG GLU A 76 6.113 -5.281 8.530 1.00 0.00 C ATOM 1141 CD GLU A 76 7.396 -4.600 8.964 1.00 0.00 C ATOM 1142 OE1 GLU A 76 7.352 -3.810 9.929 1.00 0.00 O ATOM 1143 OE2 GLU A 76 8.446 -4.861 8.339 1.00 0.00 O ATOM 0 H GLU A 76 3.491 -2.344 7.379 1.00 0.00 H new ATOM 0 HA GLU A 76 6.199 -3.332 6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.954 -3.562 9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.040 -4.822 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.795 -5.978 9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.303 -5.869 7.632 1.00 0.00 H new ATOM 1150 N ALA A 77 4.290 -3.797 4.668 1.00 0.00 N ATOM 1151 CA ALA A 77 3.798 -4.520 3.502 1.00 0.00 C ATOM 1152 C ALA A 77 4.302 -3.885 2.207 1.00 0.00 C ATOM 1153 O ALA A 77 4.803 -2.761 2.212 1.00 0.00 O ATOM 1154 CB ALA A 77 2.277 -4.568 3.515 1.00 0.00 C ATOM 0 H ALA A 77 4.332 -2.785 4.549 1.00 0.00 H new ATOM 0 HA ALA A 77 4.182 -5.539 3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.923 -5.111 2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.937 -5.075 4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.881 -3.553 3.498 1.00 0.00 H new ATOM 1160 N PRO A 78 4.172 -4.602 1.078 1.00 0.00 N ATOM 1161 CA PRO A 78 4.615 -4.107 -0.229 1.00 0.00 C ATOM 1162 C PRO A 78 3.688 -3.033 -0.788 1.00 0.00 C ATOM 1163 O PRO A 78 2.466 -3.163 -0.732 1.00 0.00 O ATOM 1164 CB PRO A 78 4.570 -5.357 -1.107 1.00 0.00 C ATOM 1165 CG PRO A 78 3.507 -6.202 -0.495 1.00 0.00 C ATOM 1166 CD PRO A 78 3.583 -5.952 0.986 1.00 0.00 C ATOM 0 HA PRO A 78 5.596 -3.636 -0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.333 -5.108 -2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.531 -5.871 -1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.524 -5.937 -0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.667 -7.256 -0.722 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.598 -5.993 1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.203 -6.695 1.487 1.00 0.00 H new ATOM 1174 N VAL A 79 4.279 -1.974 -1.329 1.00 0.00 N ATOM 1175 CA VAL A 79 3.508 -0.875 -1.902 1.00 0.00 C ATOM 1176 C VAL A 79 3.567 -0.914 -3.426 1.00 0.00 C ATOM 1177 O VAL A 79 4.650 -0.948 -4.008 1.00 0.00 O ATOM 1178 CB VAL A 79 4.025 0.492 -1.413 1.00 0.00 C ATOM 1179 CG1 VAL A 79 2.950 1.556 -1.566 1.00 0.00 C ATOM 1180 CG2 VAL A 79 4.497 0.410 0.033 1.00 0.00 C ATOM 0 H VAL A 79 5.290 -1.852 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 79 2.477 -0.999 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 79 4.878 0.772 -2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.334 2.514 -1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.668 1.640 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.076 1.278 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.857 1.387 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.668 0.102 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.305 -0.318 0.111 1.00 0.00 H new ATOM 1190 N VAL A 80 2.402 -0.916 -4.072 1.00 0.00 N ATOM 1191 CA VAL A 80 2.350 -0.960 -5.531 1.00 0.00 C ATOM 1192 C VAL A 80 1.288 -0.014 -6.081 1.00 0.00 C ATOM 1193 O VAL A 80 0.357 0.361 -5.376 1.00 0.00 O ATOM 1194 CB VAL A 80 2.045 -2.386 -6.035 1.00 0.00 C ATOM 1195 CG1 VAL A 80 3.136 -3.352 -5.612 1.00 0.00 C ATOM 1196 CG2 VAL A 80 0.688 -2.853 -5.530 1.00 0.00 C ATOM 0 H VAL A 80 1.491 -0.888 -3.614 1.00 0.00 H new ATOM 0 HA VAL A 80 3.331 -0.647 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 80 2.016 -2.364 -7.124 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.900 -4.351 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.090 -3.029 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.203 -3.371 -4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.491 -3.861 -5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.687 -2.856 -4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.087 -2.177 -5.892 1.00 0.00 H new ATOM 1206 N THR A 81 1.422 0.356 -7.349 1.00 0.00 N ATOM 1207 CA THR A 81 0.454 1.242 -7.985 1.00 0.00 C ATOM 1208 C THR A 81 -0.858 0.500 -8.231 1.00 0.00 C ATOM 1209 O THR A 81 -0.909 -0.727 -8.139 1.00 0.00 O ATOM 1210 CB THR A 81 1.007 1.786 -9.305 1.00 0.00 C ATOM 1211 OG1 THR A 81 0.859 0.834 -10.343 1.00 0.00 O ATOM 1212 CG2 THR A 81 2.471 2.163 -9.234 1.00 0.00 C ATOM 0 H THR A 81 2.187 0.058 -7.955 1.00 0.00 H new ATOM 0 HA THR A 81 0.265 2.082 -7.317 1.00 0.00 H new ATOM 0 HB THR A 81 0.427 2.686 -9.509 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.925 1.284 -11.211 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.797 2.541 -10.203 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.612 2.935 -8.478 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.060 1.285 -8.970 1.00 0.00 H new ATOM 1220 N ARG A 82 -1.917 1.243 -8.536 1.00 0.00 N ATOM 1221 CA ARG A 82 -3.223 0.637 -8.783 1.00 0.00 C ATOM 1222 C ARG A 82 -3.174 -0.352 -9.947 1.00 0.00 C ATOM 1223 O ARG A 82 -4.061 -1.192 -10.089 1.00 0.00 O ATOM 1224 CB ARG A 82 -4.278 1.711 -9.059 1.00 0.00 C ATOM 1225 CG ARG A 82 -3.803 2.823 -9.983 1.00 0.00 C ATOM 1226 CD ARG A 82 -4.580 2.838 -11.290 1.00 0.00 C ATOM 1227 NE ARG A 82 -3.720 2.569 -12.441 1.00 0.00 N ATOM 1228 CZ ARG A 82 -4.130 2.642 -13.705 1.00 0.00 C ATOM 1229 NH1 ARG A 82 -5.385 2.970 -13.987 1.00 0.00 N ATOM 1230 NH2 ARG A 82 -3.282 2.386 -14.693 1.00 0.00 N ATOM 0 H ARG A 82 -1.899 2.260 -8.618 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.499 0.090 -7.882 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.156 1.238 -9.498 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.592 2.149 -8.112 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.914 3.785 -9.482 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.741 2.694 -10.192 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.374 2.092 -11.248 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.060 3.808 -11.415 1.00 0.00 H new ATOM 0 HE ARG A 82 -2.749 2.310 -12.265 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.042 3.168 -13.233 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.692 3.024 -14.958 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.316 2.133 -14.484 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.596 2.442 -15.662 1.00 0.00 H new ATOM 1244 N GLU A 83 -2.138 -0.253 -10.781 1.00 0.00 N ATOM 1245 CA GLU A 83 -1.994 -1.150 -11.926 1.00 0.00 C ATOM 1246 C GLU A 83 -2.193 -2.604 -11.508 1.00 0.00 C ATOM 1247 O GLU A 83 -2.854 -3.374 -12.202 1.00 0.00 O ATOM 1248 CB GLU A 83 -0.618 -0.975 -12.576 1.00 0.00 C ATOM 1249 CG GLU A 83 -0.642 -0.108 -13.824 1.00 0.00 C ATOM 1250 CD GLU A 83 0.477 0.915 -13.847 1.00 0.00 C ATOM 1251 OE1 GLU A 83 1.602 0.573 -13.425 1.00 0.00 O ATOM 1252 OE2 GLU A 83 0.229 2.057 -14.286 1.00 0.00 O ATOM 0 H GLU A 83 -1.391 0.435 -10.685 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.763 -0.891 -12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.064 -0.533 -11.850 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.219 -1.956 -12.833 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.565 -0.745 -14.705 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.601 0.407 -13.886 1.00 0.00 H new ATOM 1259 N TRP A 84 -1.626 -2.966 -10.364 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.753 -4.322 -9.843 1.00 0.00 C ATOM 1261 C TRP A 84 -3.215 -4.655 -9.600 1.00 0.00 C ATOM 1262 O TRP A 84 -3.753 -5.621 -10.142 1.00 0.00 O ATOM 1263 CB TRP A 84 -0.982 -4.452 -8.532 1.00 0.00 C ATOM 1264 CG TRP A 84 -1.017 -5.833 -7.952 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -0.297 -6.918 -8.363 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -1.817 -6.276 -6.849 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -0.599 -8.007 -7.582 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -1.531 -7.639 -6.645 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.749 -5.650 -6.015 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -2.141 -8.385 -5.640 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.354 -6.393 -5.020 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -3.049 -7.747 -4.838 1.00 0.00 C ATOM 0 H TRP A 84 -1.073 -2.339 -9.779 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.342 -5.016 -10.577 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.056 -4.163 -8.700 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.394 -3.751 -7.806 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.407 -6.920 -9.182 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -0.196 -8.938 -7.682 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.991 -4.606 -6.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.906 -9.430 -5.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.076 -5.920 -4.370 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.539 -8.299 -4.050 1.00 0.00 H new ATOM 1283 N VAL A 85 -3.846 -3.833 -8.777 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.252 -4.005 -8.435 1.00 0.00 C ATOM 1285 C VAL A 85 -6.126 -4.055 -9.686 1.00 0.00 C ATOM 1286 O VAL A 85 -7.102 -4.801 -9.741 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.744 -2.867 -7.518 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.217 -3.041 -7.177 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -4.902 -2.802 -6.253 1.00 0.00 C ATOM 0 H VAL A 85 -3.403 -3.031 -8.328 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.337 -4.954 -7.905 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.633 -1.925 -8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.539 -2.226 -6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.806 -3.031 -8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.362 -3.991 -6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.263 -1.994 -5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.978 -3.748 -5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.861 -2.618 -6.518 1.00 0.00 H new ATOM 1299 N LEU A 86 -5.770 -3.256 -10.684 1.00 0.00 N ATOM 1300 CA LEU A 86 -6.528 -3.213 -11.930 1.00 0.00 C ATOM 1301 C LEU A 86 -6.215 -4.422 -12.803 1.00 0.00 C ATOM 1302 O LEU A 86 -7.116 -5.154 -13.215 1.00 0.00 O ATOM 1303 CB LEU A 86 -6.223 -1.921 -12.692 1.00 0.00 C ATOM 1304 CG LEU A 86 -7.445 -1.212 -13.278 1.00 0.00 C ATOM 1305 CD1 LEU A 86 -7.058 0.154 -13.823 1.00 0.00 C ATOM 1306 CD2 LEU A 86 -8.081 -2.063 -14.367 1.00 0.00 C ATOM 0 H LEU A 86 -4.964 -2.631 -10.656 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.589 -3.237 -11.681 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.710 -1.233 -12.020 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.531 -2.150 -13.503 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.176 -1.068 -12.483 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.940 0.644 -14.236 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.647 0.764 -13.018 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.309 0.035 -14.606 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.949 -1.544 -14.774 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.357 -2.237 -15.163 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.394 -3.019 -13.946 1.00 0.00 H new ATOM 1318 N ASP A 87 -4.932 -4.628 -13.082 1.00 0.00 N ATOM 1319 CA ASP A 87 -4.498 -5.750 -13.907 1.00 0.00 C ATOM 1320 C ASP A 87 -4.971 -7.075 -13.318 1.00 0.00 C ATOM 1321 O ASP A 87 -5.231 -8.032 -14.047 1.00 0.00 O ATOM 1322 CB ASP A 87 -2.972 -5.750 -14.037 1.00 0.00 C ATOM 1323 CG ASP A 87 -2.466 -6.860 -14.939 1.00 0.00 C ATOM 1324 OD1 ASP A 87 -3.301 -7.521 -15.593 1.00 0.00 O ATOM 1325 OD2 ASP A 87 -1.236 -7.068 -14.989 1.00 0.00 O ATOM 0 H ASP A 87 -4.174 -4.032 -12.749 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.942 -5.636 -14.896 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.644 -4.788 -14.431 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.526 -5.858 -13.048 1.00 0.00 H new ATOM 1330 N SER A 88 -5.079 -7.124 -11.994 1.00 0.00 N ATOM 1331 CA SER A 88 -5.520 -8.333 -11.308 1.00 0.00 C ATOM 1332 C SER A 88 -7.030 -8.509 -11.420 1.00 0.00 C ATOM 1333 O SER A 88 -7.512 -9.580 -11.782 1.00 0.00 O ATOM 1334 CB SER A 88 -5.109 -8.289 -9.835 1.00 0.00 C ATOM 1335 OG SER A 88 -3.701 -8.215 -9.699 1.00 0.00 O ATOM 0 H SER A 88 -4.867 -6.341 -11.375 1.00 0.00 H new ATOM 0 HA SER A 88 -5.039 -9.185 -11.789 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.570 -7.427 -9.352 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.480 -9.177 -9.324 1.00 0.00 H new ATOM 0 HG SER A 88 -3.413 -7.282 -9.778 1.00 0.00 H new ATOM 1341 N VAL A 89 -7.775 -7.454 -11.100 1.00 0.00 N ATOM 1342 CA VAL A 89 -9.233 -7.501 -11.161 1.00 0.00 C ATOM 1343 C VAL A 89 -9.735 -7.537 -12.603 1.00 0.00 C ATOM 1344 O VAL A 89 -10.827 -8.034 -12.876 1.00 0.00 O ATOM 1345 CB VAL A 89 -9.863 -6.295 -10.437 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -11.382 -6.404 -10.428 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -9.325 -6.184 -9.018 1.00 0.00 C ATOM 0 H VAL A 89 -7.394 -6.558 -10.796 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.536 -8.420 -10.659 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.591 -5.390 -10.980 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.806 -5.542 -9.912 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.751 -6.430 -11.453 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.678 -7.317 -9.912 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.781 -5.327 -8.522 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.565 -7.093 -8.466 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.243 -6.053 -9.048 1.00 0.00 H new ATOM 1357 N ALA A 90 -8.937 -7.003 -13.522 1.00 0.00 N ATOM 1358 CA ALA A 90 -9.313 -6.972 -14.931 1.00 0.00 C ATOM 1359 C ALA A 90 -9.238 -8.361 -15.556 1.00 0.00 C ATOM 1360 O ALA A 90 -10.219 -8.860 -16.104 1.00 0.00 O ATOM 1361 CB ALA A 90 -8.423 -6.001 -15.693 1.00 0.00 C ATOM 0 H ALA A 90 -8.028 -6.587 -13.317 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.346 -6.631 -14.995 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.715 -5.988 -16.743 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.533 -5.001 -15.273 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.383 -6.318 -15.609 1.00 0.00 H new ATOM 1367 N LEU A 91 -8.065 -8.976 -15.471 1.00 0.00 N ATOM 1368 CA LEU A 91 -7.854 -10.306 -16.029 1.00 0.00 C ATOM 1369 C LEU A 91 -8.166 -11.395 -15.002 1.00 0.00 C ATOM 1370 O LEU A 91 -8.287 -12.570 -15.349 1.00 0.00 O ATOM 1371 CB LEU A 91 -6.410 -10.444 -16.514 1.00 0.00 C ATOM 1372 CG LEU A 91 -6.091 -11.752 -17.244 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -6.092 -11.539 -18.749 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -4.751 -12.307 -16.784 1.00 0.00 C ATOM 0 H LEU A 91 -7.243 -8.574 -15.020 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.534 -10.432 -16.871 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.186 -9.611 -17.180 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.745 -10.354 -15.655 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.866 -12.478 -17.000 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.863 -12.480 -19.250 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.074 -11.188 -19.066 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.339 -10.796 -19.012 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.541 -13.236 -17.313 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.965 -11.583 -16.997 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.786 -12.500 -15.712 1.00 0.00 H new ATOM 1386 N TYR A 92 -8.289 -11.001 -13.738 1.00 0.00 N ATOM 1387 CA TYR A 92 -8.579 -11.948 -12.664 1.00 0.00 C ATOM 1388 C TYR A 92 -7.393 -12.879 -12.434 1.00 0.00 C ATOM 1389 O TYR A 92 -7.369 -14.006 -12.927 1.00 0.00 O ATOM 1390 CB TYR A 92 -9.836 -12.760 -12.985 1.00 0.00 C ATOM 1391 CG TYR A 92 -10.903 -12.676 -11.914 1.00 0.00 C ATOM 1392 CD1 TYR A 92 -10.566 -12.669 -10.564 1.00 0.00 C ATOM 1393 CD2 TYR A 92 -12.248 -12.603 -12.254 1.00 0.00 C ATOM 1394 CE1 TYR A 92 -11.540 -12.592 -9.587 1.00 0.00 C ATOM 1395 CE2 TYR A 92 -13.227 -12.526 -11.281 1.00 0.00 C ATOM 1396 CZ TYR A 92 -12.868 -12.521 -9.950 1.00 0.00 C ATOM 1397 OH TYR A 92 -13.840 -12.444 -8.980 1.00 0.00 O ATOM 0 H TYR A 92 -8.193 -10.033 -13.431 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.757 -11.381 -11.750 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.253 -12.410 -13.929 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.557 -13.804 -13.127 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.527 -12.725 -10.275 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.533 -12.606 -13.296 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.262 -12.587 -8.543 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.268 -12.470 -11.562 1.00 0.00 H new ATOM 0 HH TYR A 92 -14.722 -12.399 -9.404 1.00 0.00 H new ATOM 1407 N GLN A 93 -6.408 -12.396 -11.683 1.00 0.00 N ATOM 1408 CA GLN A 93 -5.216 -13.181 -11.386 1.00 0.00 C ATOM 1409 C GLN A 93 -4.269 -12.404 -10.477 1.00 0.00 C ATOM 1410 O GLN A 93 -4.054 -11.207 -10.666 1.00 0.00 O ATOM 1411 CB GLN A 93 -4.497 -13.567 -12.680 1.00 0.00 C ATOM 1412 CG GLN A 93 -3.890 -14.959 -12.647 1.00 0.00 C ATOM 1413 CD GLN A 93 -2.396 -14.938 -12.390 1.00 0.00 C ATOM 1414 OE1 GLN A 93 -1.598 -14.755 -13.310 1.00 0.00 O ATOM 1415 NE2 GLN A 93 -2.008 -15.124 -11.134 1.00 0.00 N ATOM 0 H GLN A 93 -6.412 -11.464 -11.269 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.528 -14.088 -10.869 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.202 -13.507 -13.509 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.709 -12.841 -12.878 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.380 -15.547 -11.871 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.085 -15.459 -13.596 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.703 -15.272 -10.402 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.015 -15.119 -10.901 1.00 0.00 H new ATOM 1424 N CYS A 94 -3.707 -13.093 -9.488 1.00 0.00 N ATOM 1425 CA CYS A 94 -2.783 -12.466 -8.549 1.00 0.00 C ATOM 1426 C CYS A 94 -1.513 -12.007 -9.260 1.00 0.00 C ATOM 1427 O CYS A 94 -0.513 -12.724 -9.290 1.00 0.00 O ATOM 1428 CB CYS A 94 -2.428 -13.441 -7.424 1.00 0.00 C ATOM 1429 SG CYS A 94 -1.988 -12.638 -5.865 1.00 0.00 S ATOM 0 H CYS A 94 -3.875 -14.084 -9.316 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.275 -11.592 -8.122 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.275 -14.105 -7.252 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.595 -14.065 -7.747 1.00 0.00 H new ATOM 0 HG CYS A 94 -2.863 -11.718 -5.589 1.00 0.00 H new ATOM 1435 N GLN A 95 -1.560 -10.808 -9.831 1.00 0.00 N ATOM 1436 CA GLN A 95 -0.413 -10.252 -10.542 1.00 0.00 C ATOM 1437 C GLN A 95 0.800 -10.145 -9.623 1.00 0.00 C ATOM 1438 O GLN A 95 0.692 -10.332 -8.412 1.00 0.00 O ATOM 1439 CB GLN A 95 -0.760 -8.874 -11.111 1.00 0.00 C ATOM 1440 CG GLN A 95 -1.118 -8.899 -12.588 1.00 0.00 C ATOM 1441 CD GLN A 95 0.002 -9.448 -13.450 1.00 0.00 C ATOM 1442 OE1 GLN A 95 1.143 -9.572 -13.002 1.00 0.00 O ATOM 1443 NE2 GLN A 95 -0.318 -9.780 -14.695 1.00 0.00 N ATOM 0 H GLN A 95 -2.380 -10.202 -9.816 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.165 -10.926 -11.362 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.597 -8.458 -10.550 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.087 -8.205 -10.962 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.012 -9.505 -12.731 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.362 -7.889 -12.916 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.276 -9.661 -15.024 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.394 -10.154 -15.322 1.00 0.00 H new ATOM 1452 N GLU A 96 1.954 -9.840 -10.210 1.00 0.00 N ATOM 1453 CA GLU A 96 3.187 -9.702 -9.443 1.00 0.00 C ATOM 1454 C GLU A 96 3.404 -8.253 -9.025 1.00 0.00 C ATOM 1455 O GLU A 96 3.531 -7.364 -9.868 1.00 0.00 O ATOM 1456 CB GLU A 96 4.386 -10.202 -10.256 1.00 0.00 C ATOM 1457 CG GLU A 96 4.372 -9.757 -11.709 1.00 0.00 C ATOM 1458 CD GLU A 96 3.691 -10.761 -12.621 1.00 0.00 C ATOM 1459 OE1 GLU A 96 3.485 -11.914 -12.187 1.00 0.00 O ATOM 1460 OE2 GLU A 96 3.365 -10.394 -13.770 1.00 0.00 O ATOM 0 H GLU A 96 2.060 -9.684 -11.212 1.00 0.00 H new ATOM 0 HA GLU A 96 3.096 -10.312 -8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.304 -9.848 -9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.409 -11.291 -10.220 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.861 -8.797 -11.786 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.396 -9.601 -12.047 1.00 0.00 H new ATOM 1467 N LEU A 97 3.440 -8.021 -7.718 1.00 0.00 N ATOM 1468 CA LEU A 97 3.635 -6.679 -7.181 1.00 0.00 C ATOM 1469 C LEU A 97 4.974 -6.097 -7.618 1.00 0.00 C ATOM 1470 O LEU A 97 5.092 -4.896 -7.858 1.00 0.00 O ATOM 1471 CB LEU A 97 3.550 -6.705 -5.654 1.00 0.00 C ATOM 1472 CG LEU A 97 2.131 -6.666 -5.083 1.00 0.00 C ATOM 1473 CD1 LEU A 97 1.637 -8.073 -4.786 1.00 0.00 C ATOM 1474 CD2 LEU A 97 2.081 -5.806 -3.828 1.00 0.00 C ATOM 0 H LEU A 97 3.336 -8.747 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 97 2.844 -6.042 -7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.046 -7.606 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.107 -5.855 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 97 1.473 -6.221 -5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.626 -8.026 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.632 -8.659 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.298 -8.545 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.063 -5.791 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.752 -6.220 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.391 -4.790 -4.071 1.00 0.00 H new ATOM 1486 N ASP A 98 5.983 -6.956 -7.714 1.00 0.00 N ATOM 1487 CA ASP A 98 7.321 -6.530 -8.118 1.00 0.00 C ATOM 1488 C ASP A 98 7.288 -5.766 -9.441 1.00 0.00 C ATOM 1489 O ASP A 98 8.180 -4.969 -9.729 1.00 0.00 O ATOM 1490 CB ASP A 98 8.246 -7.741 -8.239 1.00 0.00 C ATOM 1491 CG ASP A 98 9.677 -7.347 -8.554 1.00 0.00 C ATOM 1492 OD1 ASP A 98 10.252 -6.542 -7.791 1.00 0.00 O ATOM 1493 OD2 ASP A 98 10.221 -7.843 -9.562 1.00 0.00 O ATOM 0 H ASP A 98 5.901 -7.954 -7.517 1.00 0.00 H new ATOM 0 HA ASP A 98 7.703 -5.858 -7.349 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.224 -8.306 -7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.874 -8.402 -9.021 1.00 0.00 H new ATOM 1498 N THR A 99 6.259 -6.019 -10.244 1.00 0.00 N ATOM 1499 CA THR A 99 6.119 -5.356 -11.537 1.00 0.00 C ATOM 1500 C THR A 99 5.533 -3.953 -11.385 1.00 0.00 C ATOM 1501 O THR A 99 5.676 -3.115 -12.274 1.00 0.00 O ATOM 1502 CB THR A 99 5.238 -6.191 -12.468 1.00 0.00 C ATOM 1503 OG1 THR A 99 5.765 -7.497 -12.621 1.00 0.00 O ATOM 1504 CG2 THR A 99 5.089 -5.592 -13.849 1.00 0.00 C ATOM 0 H THR A 99 5.511 -6.677 -10.023 1.00 0.00 H new ATOM 0 HA THR A 99 7.114 -5.262 -11.971 1.00 0.00 H new ATOM 0 HB THR A 99 4.258 -6.214 -11.992 1.00 0.00 H new ATOM 0 HG1 THR A 99 5.350 -7.928 -13.397 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.452 -6.234 -14.457 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.637 -4.603 -13.770 1.00 0.00 H new ATOM 0 HG23 THR A 99 6.070 -5.506 -14.316 1.00 0.00 H new ATOM 1512 N TYR A 100 4.872 -3.702 -10.258 1.00 0.00 N ATOM 1513 CA TYR A 100 4.268 -2.398 -10.007 1.00 0.00 C ATOM 1514 C TYR A 100 4.569 -1.919 -8.591 1.00 0.00 C ATOM 1515 O TYR A 100 3.756 -1.234 -7.972 1.00 0.00 O ATOM 1516 CB TYR A 100 2.753 -2.462 -10.223 1.00 0.00 C ATOM 1517 CG TYR A 100 2.344 -3.268 -11.436 1.00 0.00 C ATOM 1518 CD1 TYR A 100 2.496 -2.756 -12.718 1.00 0.00 C ATOM 1519 CD2 TYR A 100 1.805 -4.541 -11.297 1.00 0.00 C ATOM 1520 CE1 TYR A 100 2.122 -3.489 -13.828 1.00 0.00 C ATOM 1521 CE2 TYR A 100 1.429 -5.280 -12.402 1.00 0.00 C ATOM 1522 CZ TYR A 100 1.589 -4.751 -13.665 1.00 0.00 C ATOM 1523 OH TYR A 100 1.215 -5.484 -14.767 1.00 0.00 O ATOM 0 H TYR A 100 4.742 -4.381 -9.508 1.00 0.00 H new ATOM 0 HA TYR A 100 4.700 -1.687 -10.711 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.287 -2.894 -9.337 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.366 -1.448 -10.325 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.913 -1.769 -12.850 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.678 -4.959 -10.309 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.246 -3.076 -14.818 1.00 0.00 H new ATOM 0 HE2 TYR A 100 1.011 -6.268 -12.277 1.00 0.00 H new ATOM 0 HH TYR A 100 0.357 -5.923 -14.592 1.00 0.00 H new ATOM 1533 N LEU A 101 5.742 -2.284 -8.085 1.00 0.00 N ATOM 1534 CA LEU A 101 6.152 -1.893 -6.742 1.00 0.00 C ATOM 1535 C LEU A 101 7.121 -0.715 -6.790 1.00 0.00 C ATOM 1536 O LEU A 101 7.534 -0.279 -7.865 1.00 0.00 O ATOM 1537 CB LEU A 101 6.814 -3.076 -6.028 1.00 0.00 C ATOM 1538 CG LEU A 101 6.281 -3.381 -4.626 1.00 0.00 C ATOM 1539 CD1 LEU A 101 6.201 -4.884 -4.401 1.00 0.00 C ATOM 1540 CD2 LEU A 101 7.159 -2.730 -3.568 1.00 0.00 C ATOM 0 H LEU A 101 6.426 -2.851 -8.586 1.00 0.00 H new ATOM 0 HA LEU A 101 5.262 -1.589 -6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.692 -3.966 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.884 -2.882 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 101 5.276 -2.966 -4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.820 -5.082 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.531 -5.327 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.194 -5.321 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.765 -2.958 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.175 -3.115 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.167 -1.650 -3.716 1.00 0.00 H new