USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 689 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 36 HIS : no HE2:sc= -5.94! C(o=-11!,f=-16!) USER MOD Set 1.2: A 109 CYS SG : rot 22:sc= -4.63! USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -35:sc= 0.437 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.00119 X(o=-0.0012,f=-0.037) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00893 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 76:sc= 0.92 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 72:sc= -0.197 USER MOD Single : A 85 THR OG1 : rot 140:sc= -0.822 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -2.11! C(o=-2.7!,f=-2.1!) USER MOD Single : A 92 CYS SG : rot -130:sc= -1.48 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0348 K(o=-0.035,f=-1.6) USER MOD Single : A 101 GLN : amide:sc= -0.13 K(o=-0.13,f=-0.65) USER MOD Single : A 107 GLN : amide:sc= -0.108 K(o=-0.11,f=-2!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N TYR A 10 -3.174 -1.913 -7.399 1.00 0.00 N ATOM 102 CA TYR A 10 -4.051 -0.831 -7.814 1.00 0.00 C ATOM 103 C TYR A 10 -3.289 0.494 -7.889 1.00 0.00 C ATOM 104 O TYR A 10 -2.176 0.603 -7.377 1.00 0.00 O ATOM 105 CB TYR A 10 -5.130 -0.725 -6.734 1.00 0.00 C ATOM 106 CG TYR A 10 -6.320 0.153 -7.127 1.00 0.00 C ATOM 107 CD1 TYR A 10 -7.075 -0.166 -8.237 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.637 1.264 -6.373 1.00 0.00 C ATOM 109 CE1 TYR A 10 -8.195 0.660 -8.607 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.756 2.090 -6.743 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.480 1.748 -7.842 1.00 0.00 C ATOM 112 OH TYR A 10 -9.538 2.528 -8.191 1.00 0.00 O ATOM 0 HA TYR A 10 -4.466 -1.031 -8.802 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.492 -1.725 -6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.681 -0.325 -5.825 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.826 -1.035 -8.828 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.045 1.514 -5.505 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.795 0.421 -9.472 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.015 2.962 -6.161 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.623 3.268 -7.554 1.00 0.00 H new ATOM 122 N GLU A 11 -3.920 1.466 -8.530 1.00 0.00 N ATOM 123 CA GLU A 11 -3.315 2.779 -8.679 1.00 0.00 C ATOM 124 C GLU A 11 -4.396 3.862 -8.700 1.00 0.00 C ATOM 125 O GLU A 11 -5.388 3.741 -9.418 1.00 0.00 O ATOM 126 CB GLU A 11 -2.449 2.845 -9.938 1.00 0.00 C ATOM 127 CG GLU A 11 -3.248 2.430 -11.175 1.00 0.00 C ATOM 128 CD GLU A 11 -3.082 0.936 -11.460 1.00 0.00 C ATOM 129 OE1 GLU A 11 -2.028 0.581 -12.032 1.00 0.00 O ATOM 130 OE2 GLU A 11 -4.011 0.182 -11.099 1.00 0.00 O ATOM 0 H GLU A 11 -4.844 1.371 -8.952 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.666 2.957 -7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.068 3.858 -10.069 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.584 2.192 -9.823 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.303 2.660 -11.025 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.915 3.007 -12.038 1.00 0.00 H new ATOM 137 N GLY A 12 -4.169 4.896 -7.903 1.00 0.00 N ATOM 138 CA GLY A 12 -5.111 5.999 -7.821 1.00 0.00 C ATOM 139 C GLY A 12 -4.527 7.160 -7.014 1.00 0.00 C ATOM 140 O GLY A 12 -3.479 7.019 -6.385 1.00 0.00 O ATOM 0 H GLY A 12 -3.346 4.993 -7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.365 6.340 -8.825 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.036 5.658 -7.357 1.00 0.00 H new ATOM 144 N ILE A 13 -5.230 8.282 -7.057 1.00 0.00 N ATOM 145 CA ILE A 13 -4.795 9.467 -6.338 1.00 0.00 C ATOM 146 C ILE A 13 -4.930 9.223 -4.833 1.00 0.00 C ATOM 147 O ILE A 13 -5.910 8.630 -4.383 1.00 0.00 O ATOM 148 CB ILE A 13 -5.551 10.702 -6.831 1.00 0.00 C ATOM 149 CG1 ILE A 13 -5.091 11.103 -8.234 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.426 11.856 -5.835 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.880 12.036 -8.168 1.00 0.00 C ATOM 0 H ILE A 13 -6.099 8.395 -7.579 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.742 9.667 -6.536 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.609 10.449 -6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.836 10.211 -8.806 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.907 11.597 -8.761 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.973 12.721 -6.210 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.841 11.553 -4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.375 12.117 -5.710 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.573 12.306 -9.178 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.145 12.938 -7.616 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.058 11.530 -7.662 1.00 0.00 H new ATOM 163 N LEU A 14 -3.933 9.692 -4.098 1.00 0.00 N ATOM 164 CA LEU A 14 -3.929 9.533 -2.654 1.00 0.00 C ATOM 165 C LEU A 14 -3.150 10.687 -2.020 1.00 0.00 C ATOM 166 O LEU A 14 -1.963 10.863 -2.292 1.00 0.00 O ATOM 167 CB LEU A 14 -3.400 8.149 -2.269 1.00 0.00 C ATOM 168 CG LEU A 14 -4.431 7.019 -2.250 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.784 5.694 -1.843 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.619 7.375 -1.355 1.00 0.00 C ATOM 0 H LEU A 14 -3.122 10.182 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.945 9.581 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.606 7.878 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.947 8.217 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.817 6.892 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.538 4.907 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.999 5.439 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.353 5.791 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.337 6.555 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.269 7.545 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.099 8.279 -1.730 1.00 0.00 H new ATOM 182 N TYR A 15 -3.849 11.443 -1.186 1.00 0.00 N ATOM 183 CA TYR A 15 -3.237 12.576 -0.512 1.00 0.00 C ATOM 184 C TYR A 15 -2.516 12.131 0.762 1.00 0.00 C ATOM 185 O TYR A 15 -2.835 11.086 1.328 1.00 0.00 O ATOM 186 CB TYR A 15 -4.387 13.511 -0.132 1.00 0.00 C ATOM 187 CG TYR A 15 -5.019 14.236 -1.322 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.640 13.512 -2.320 1.00 0.00 C ATOM 189 CD2 TYR A 15 -4.967 15.613 -1.398 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.235 14.195 -3.440 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.562 16.295 -2.518 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.166 15.552 -3.484 1.00 0.00 C ATOM 193 OH TYR A 15 -6.728 16.196 -4.542 1.00 0.00 O ATOM 0 H TYR A 15 -4.833 11.293 -0.962 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.503 13.057 -1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.157 12.934 0.379 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.020 14.252 0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.680 12.434 -2.261 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.480 16.179 -0.618 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.725 13.641 -4.227 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.529 17.372 -2.589 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.604 17.163 -4.440 1.00 0.00 H new ATOM 203 N LYS A 16 -1.557 12.946 1.176 1.00 0.00 N ATOM 204 CA LYS A 16 -0.788 12.649 2.373 1.00 0.00 C ATOM 205 C LYS A 16 -0.734 13.894 3.261 1.00 0.00 C ATOM 206 O LYS A 16 -0.272 14.949 2.830 1.00 0.00 O ATOM 207 CB LYS A 16 0.591 12.100 2.000 1.00 0.00 C ATOM 208 CG LYS A 16 1.371 11.684 3.249 1.00 0.00 C ATOM 209 CD LYS A 16 2.342 10.544 2.935 1.00 0.00 C ATOM 210 CE LYS A 16 3.712 11.088 2.524 1.00 0.00 C ATOM 211 NZ LYS A 16 4.766 10.079 2.771 1.00 0.00 N ATOM 0 H LYS A 16 -1.295 13.812 0.704 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.273 11.864 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.478 11.244 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.152 12.857 1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.923 12.539 3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.676 11.370 4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.449 9.902 3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.937 9.927 2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.700 11.359 1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.932 11.997 3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.689 10.464 2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.787 9.840 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.563 9.222 2.217 1.00 0.00 H new ATOM 225 N LYS A 17 -1.214 13.729 4.485 1.00 0.00 N ATOM 226 CA LYS A 17 -1.226 14.826 5.438 1.00 0.00 C ATOM 227 C LYS A 17 0.143 15.508 5.442 1.00 0.00 C ATOM 228 O LYS A 17 1.165 14.858 5.223 1.00 0.00 O ATOM 229 CB LYS A 17 -1.672 14.334 6.816 1.00 0.00 C ATOM 230 CG LYS A 17 -2.421 15.431 7.574 1.00 0.00 C ATOM 231 CD LYS A 17 -3.596 14.849 8.363 1.00 0.00 C ATOM 232 CE LYS A 17 -4.220 15.906 9.277 1.00 0.00 C ATOM 233 NZ LYS A 17 -3.835 15.664 10.686 1.00 0.00 N ATOM 0 H LYS A 17 -1.597 12.852 4.839 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.956 15.579 5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.315 13.461 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.802 14.018 7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.738 15.939 8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.786 16.180 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.349 14.469 7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.255 14.003 8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.894 16.900 8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.306 15.883 9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.266 16.390 11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.168 14.724 10.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.800 15.708 10.776 1.00 0.00 H new ATOM 337 N TRP A 24 -2.880 18.619 2.329 1.00 0.00 N ATOM 338 CA TRP A 24 -2.183 17.349 2.219 1.00 0.00 C ATOM 339 C TRP A 24 -1.541 17.280 0.831 1.00 0.00 C ATOM 340 O TRP A 24 -2.030 17.897 -0.114 1.00 0.00 O ATOM 341 CB TRP A 24 -3.128 16.179 2.499 1.00 0.00 C ATOM 342 CG TRP A 24 -3.879 16.290 3.827 1.00 0.00 C ATOM 343 CD1 TRP A 24 -3.814 17.276 4.732 1.00 0.00 C ATOM 344 CD2 TRP A 24 -4.818 15.336 4.366 1.00 0.00 C ATOM 345 NE1 TRP A 24 -4.638 17.028 5.811 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.268 15.811 5.581 1.00 0.00 C ATOM 347 CE3 TRP A 24 -5.271 14.111 3.845 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -6.194 15.126 6.377 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -6.197 13.439 4.652 1.00 0.00 C ATOM 350 CH2 TRP A 24 -6.660 13.903 5.877 1.00 0.00 C ATOM 0 HA TRP A 24 -1.397 17.274 2.970 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -3.853 16.109 1.688 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.554 15.252 2.494 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.194 18.155 4.630 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.762 17.628 6.627 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.932 13.720 2.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.531 15.519 7.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.578 12.493 4.297 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -7.376 13.324 6.441 1.00 0.00 H new ATOM 361 N LYS A 25 -0.456 16.524 0.753 1.00 0.00 N ATOM 362 CA LYS A 25 0.257 16.367 -0.503 1.00 0.00 C ATOM 363 C LYS A 25 -0.477 15.349 -1.377 1.00 0.00 C ATOM 364 O LYS A 25 -0.601 14.182 -1.008 1.00 0.00 O ATOM 365 CB LYS A 25 1.723 16.012 -0.245 1.00 0.00 C ATOM 366 CG LYS A 25 2.464 17.182 0.405 1.00 0.00 C ATOM 367 CD LYS A 25 3.598 17.681 -0.494 1.00 0.00 C ATOM 368 CE LYS A 25 4.318 18.872 0.141 1.00 0.00 C ATOM 369 NZ LYS A 25 3.627 20.136 -0.200 1.00 0.00 N ATOM 0 H LYS A 25 -0.053 16.014 1.539 1.00 0.00 H new ATOM 0 HA LYS A 25 0.272 17.308 -1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.781 15.136 0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.208 15.747 -1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.766 17.996 0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.869 16.871 1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.309 16.874 -0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.196 17.970 -1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.352 18.749 1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.350 18.909 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.128 20.935 0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.617 20.259 -1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.650 20.104 0.154 1.00 0.00 H new ATOM 383 N ALA A 26 -0.945 15.827 -2.521 1.00 0.00 N ATOM 384 CA ALA A 26 -1.664 14.974 -3.451 1.00 0.00 C ATOM 385 C ALA A 26 -0.679 14.386 -4.463 1.00 0.00 C ATOM 386 O ALA A 26 -0.093 15.117 -5.260 1.00 0.00 O ATOM 387 CB ALA A 26 -2.781 15.776 -4.122 1.00 0.00 C ATOM 0 H ALA A 26 -0.840 16.795 -2.825 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.132 14.142 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.320 15.135 -4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.470 16.146 -3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.350 16.619 -4.662 1.00 0.00 H new ATOM 393 N ARG A 27 -0.526 13.072 -4.398 1.00 0.00 N ATOM 394 CA ARG A 27 0.378 12.378 -5.299 1.00 0.00 C ATOM 395 C ARG A 27 -0.226 11.041 -5.733 1.00 0.00 C ATOM 396 O ARG A 27 -1.172 10.554 -5.115 1.00 0.00 O ATOM 397 CB ARG A 27 1.733 12.125 -4.634 1.00 0.00 C ATOM 398 CG ARG A 27 2.370 13.437 -4.173 1.00 0.00 C ATOM 399 CD ARG A 27 3.771 13.197 -3.605 1.00 0.00 C ATOM 400 NE ARG A 27 4.369 14.479 -3.173 1.00 0.00 N ATOM 401 CZ ARG A 27 4.801 15.428 -4.015 1.00 0.00 C ATOM 402 NH1 ARG A 27 4.704 15.244 -5.339 1.00 0.00 N ATOM 403 NH2 ARG A 27 5.330 16.561 -3.533 1.00 0.00 N ATOM 0 H ARG A 27 -1.013 12.469 -3.735 1.00 0.00 H new ATOM 0 HA ARG A 27 0.527 13.014 -6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.605 11.459 -3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.398 11.620 -5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.428 14.132 -5.011 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.741 13.904 -3.415 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.717 12.509 -2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.403 12.728 -4.359 1.00 0.00 H new ATOM 0 HE ARG A 27 4.458 14.652 -2.172 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.301 14.382 -5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.033 15.966 -5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.404 16.701 -2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.659 17.283 -4.174 1.00 0.00 H new ATOM 417 N TRP A 28 0.344 10.486 -6.792 1.00 0.00 N ATOM 418 CA TRP A 28 -0.127 9.215 -7.316 1.00 0.00 C ATOM 419 C TRP A 28 0.496 8.098 -6.476 1.00 0.00 C ATOM 420 O TRP A 28 1.718 7.992 -6.388 1.00 0.00 O ATOM 421 CB TRP A 28 0.185 9.087 -8.808 1.00 0.00 C ATOM 422 CG TRP A 28 -0.435 7.854 -9.470 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.167 6.702 -9.795 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.811 7.697 -9.876 1.00 0.00 C ATOM 425 NE1 TRP A 28 -0.716 5.817 -10.380 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.957 6.441 -10.430 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.896 8.586 -9.779 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -3.174 5.961 -10.930 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -4.104 8.091 -10.283 1.00 0.00 C ATOM 430 CH2 TRP A 28 -4.268 6.829 -10.843 1.00 0.00 C ATOM 0 H TRP A 28 1.128 10.893 -7.302 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.212 9.144 -7.240 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.171 9.980 -9.321 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.266 9.053 -8.941 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.212 6.492 -9.621 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.498 4.878 -10.714 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.804 9.573 -9.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.263 4.974 -11.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.970 8.735 -10.233 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.236 6.520 -11.209 1.00 0.00 H new ATOM 441 N PHE A 29 -0.372 7.292 -5.882 1.00 0.00 N ATOM 442 CA PHE A 29 0.078 6.187 -5.054 1.00 0.00 C ATOM 443 C PHE A 29 -0.055 4.856 -5.796 1.00 0.00 C ATOM 444 O PHE A 29 -0.671 4.792 -6.858 1.00 0.00 O ATOM 445 CB PHE A 29 -0.822 6.160 -3.817 1.00 0.00 C ATOM 446 CG PHE A 29 -0.360 7.086 -2.690 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.216 8.282 -2.987 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.524 6.714 -1.393 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.645 9.142 -1.941 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.095 7.574 -0.347 1.00 0.00 C ATOM 451 CZ PHE A 29 0.481 8.770 -0.644 1.00 0.00 C ATOM 0 H PHE A 29 -1.385 7.383 -5.958 1.00 0.00 H new ATOM 0 HA PHE A 29 1.127 6.322 -4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.834 6.439 -4.111 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.870 5.139 -3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.347 8.578 -4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.981 5.764 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.102 10.092 -2.176 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.226 7.278 0.683 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.808 9.424 0.151 1.00 0.00 H new ATOM 461 N VAL A 30 0.533 3.825 -5.206 1.00 0.00 N ATOM 462 CA VAL A 30 0.488 2.499 -5.798 1.00 0.00 C ATOM 463 C VAL A 30 0.278 1.459 -4.695 1.00 0.00 C ATOM 464 O VAL A 30 0.924 1.518 -3.650 1.00 0.00 O ATOM 465 CB VAL A 30 1.754 2.250 -6.621 1.00 0.00 C ATOM 466 CG1 VAL A 30 1.753 0.840 -7.216 1.00 0.00 C ATOM 467 CG2 VAL A 30 1.914 3.307 -7.715 1.00 0.00 C ATOM 0 H VAL A 30 1.043 3.882 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.353 2.417 -6.487 1.00 0.00 H new ATOM 0 HB VAL A 30 2.610 2.330 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.663 0.689 -7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.709 0.106 -6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.885 0.719 -7.865 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.821 3.106 -8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.052 3.274 -8.382 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.983 4.295 -7.259 1.00 0.00 H new ATOM 477 N LEU A 31 -0.629 0.532 -4.965 1.00 0.00 N ATOM 478 CA LEU A 31 -0.932 -0.519 -4.009 1.00 0.00 C ATOM 479 C LEU A 31 -0.293 -1.828 -4.476 1.00 0.00 C ATOM 480 O LEU A 31 -0.943 -2.642 -5.130 1.00 0.00 O ATOM 481 CB LEU A 31 -2.442 -0.618 -3.783 1.00 0.00 C ATOM 482 CG LEU A 31 -2.886 -0.977 -2.364 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.294 -2.449 -2.273 1.00 0.00 C ATOM 484 CD2 LEU A 31 -1.805 -0.618 -1.344 1.00 0.00 C ATOM 0 H LEU A 31 -1.164 0.487 -5.832 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.502 -0.284 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.893 0.337 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.844 -1.365 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.767 -0.383 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.605 -2.678 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.121 -2.640 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.447 -3.079 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.146 -0.884 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.892 -1.167 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.605 0.453 -1.387 1.00 0.00 H new ATOM 496 N ASP A 32 0.973 -1.991 -4.121 1.00 0.00 N ATOM 497 CA ASP A 32 1.708 -3.187 -4.496 1.00 0.00 C ATOM 498 C ASP A 32 1.225 -4.364 -3.646 1.00 0.00 C ATOM 499 O ASP A 32 1.035 -4.225 -2.438 1.00 0.00 O ATOM 500 CB ASP A 32 3.208 -3.011 -4.251 1.00 0.00 C ATOM 501 CG ASP A 32 3.990 -4.314 -4.070 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.819 -5.203 -4.931 1.00 0.00 O ATOM 503 OD2 ASP A 32 4.742 -4.390 -3.074 1.00 0.00 O ATOM 0 H ASP A 32 1.509 -1.314 -3.577 1.00 0.00 H new ATOM 0 HA ASP A 32 1.535 -3.371 -5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.636 -2.461 -5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.346 -2.395 -3.362 1.00 0.00 H new ATOM 508 N LYS A 33 1.040 -5.495 -4.309 1.00 0.00 N ATOM 509 CA LYS A 33 0.583 -6.696 -3.630 1.00 0.00 C ATOM 510 C LYS A 33 1.668 -7.771 -3.717 1.00 0.00 C ATOM 511 O LYS A 33 1.903 -8.500 -2.755 1.00 0.00 O ATOM 512 CB LYS A 33 -0.772 -7.142 -4.184 1.00 0.00 C ATOM 513 CG LYS A 33 -0.797 -7.047 -5.711 1.00 0.00 C ATOM 514 CD LYS A 33 -1.779 -8.058 -6.307 1.00 0.00 C ATOM 515 CE LYS A 33 -1.284 -9.491 -6.098 1.00 0.00 C ATOM 516 NZ LYS A 33 -2.324 -10.306 -5.430 1.00 0.00 N ATOM 0 H LYS A 33 1.198 -5.606 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 33 0.418 -6.496 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.975 -8.168 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.563 -6.521 -3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.081 -6.038 -6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.202 -7.228 -6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.758 -7.936 -5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.904 -7.864 -7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.026 -9.937 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.376 -9.484 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.972 -11.275 -5.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.551 -9.889 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.180 -10.327 -6.020 1.00 0.00 H new ATOM 530 N THR A 34 2.300 -7.835 -4.880 1.00 0.00 N ATOM 531 CA THR A 34 3.355 -8.809 -5.105 1.00 0.00 C ATOM 532 C THR A 34 4.437 -8.681 -4.032 1.00 0.00 C ATOM 533 O THR A 34 4.944 -9.684 -3.532 1.00 0.00 O ATOM 534 CB THR A 34 3.883 -8.613 -6.527 1.00 0.00 C ATOM 535 OG1 THR A 34 4.504 -7.331 -6.493 1.00 0.00 O ATOM 536 CG2 THR A 34 2.759 -8.455 -7.553 1.00 0.00 C ATOM 0 H THR A 34 2.102 -7.229 -5.676 1.00 0.00 H new ATOM 0 HA THR A 34 2.977 -9.828 -5.020 1.00 0.00 H new ATOM 0 HB THR A 34 4.508 -9.462 -6.802 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.999 -6.739 -5.898 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.189 -8.319 -8.545 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.133 -9.348 -7.548 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.153 -7.586 -7.298 1.00 0.00 H new ATOM 544 N LYS A 35 4.760 -7.437 -3.708 1.00 0.00 N ATOM 545 CA LYS A 35 5.774 -7.165 -2.703 1.00 0.00 C ATOM 546 C LYS A 35 5.098 -6.648 -1.431 1.00 0.00 C ATOM 547 O LYS A 35 5.695 -6.666 -0.356 1.00 0.00 O ATOM 548 CB LYS A 35 6.841 -6.220 -3.260 1.00 0.00 C ATOM 549 CG LYS A 35 7.993 -7.004 -3.891 1.00 0.00 C ATOM 550 CD LYS A 35 9.326 -6.648 -3.229 1.00 0.00 C ATOM 551 CE LYS A 35 10.478 -7.429 -3.863 1.00 0.00 C ATOM 552 NZ LYS A 35 11.744 -7.160 -3.144 1.00 0.00 N ATOM 0 H LYS A 35 4.338 -6.607 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 35 6.301 -8.081 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.395 -5.560 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.223 -5.586 -2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.807 -8.073 -3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.044 -6.787 -4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.510 -5.578 -3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.277 -6.867 -2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.259 -8.496 -3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.582 -7.149 -4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.516 -7.698 -3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.960 -6.144 -3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.647 -7.449 -2.150 1.00 0.00 H new ATOM 566 N HIS A 36 3.863 -6.199 -1.596 1.00 0.00 N ATOM 567 CA HIS A 36 3.100 -5.678 -0.474 1.00 0.00 C ATOM 568 C HIS A 36 3.766 -4.406 0.052 1.00 0.00 C ATOM 569 O HIS A 36 4.380 -4.418 1.118 1.00 0.00 O ATOM 570 CB HIS A 36 2.925 -6.747 0.607 1.00 0.00 C ATOM 571 CG HIS A 36 1.554 -7.379 0.629 1.00 0.00 C ATOM 572 ND1 HIS A 36 1.072 -8.162 -0.406 1.00 0.00 N ATOM 573 CD2 HIS A 36 0.568 -7.337 1.571 1.00 0.00 C ATOM 574 CE1 HIS A 36 -0.150 -8.566 -0.091 1.00 0.00 C ATOM 575 NE2 HIS A 36 -0.461 -8.053 1.134 1.00 0.00 N ATOM 0 H HIS A 36 3.371 -6.185 -2.490 1.00 0.00 H new ATOM 0 HA HIS A 36 2.096 -5.411 -0.804 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.671 -7.527 0.456 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.124 -6.300 1.581 1.00 0.00 H new ATOM 0 HD1 HIS A 36 1.573 -8.389 -1.265 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.616 -6.810 2.513 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.788 -9.192 -0.698 1.00 0.00 H new ATOM 583 N GLN A 37 3.621 -3.338 -0.718 1.00 0.00 N ATOM 584 CA GLN A 37 4.200 -2.059 -0.343 1.00 0.00 C ATOM 585 C GLN A 37 3.373 -0.911 -0.923 1.00 0.00 C ATOM 586 O GLN A 37 2.506 -1.130 -1.768 1.00 0.00 O ATOM 587 CB GLN A 37 5.660 -1.966 -0.792 1.00 0.00 C ATOM 588 CG GLN A 37 6.522 -3.007 -0.076 1.00 0.00 C ATOM 589 CD GLN A 37 7.983 -2.908 -0.520 1.00 0.00 C ATOM 590 OE1 GLN A 37 8.300 -2.881 -1.697 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.852 -2.857 0.486 1.00 0.00 N ATOM 0 H GLN A 37 3.110 -3.332 -1.601 1.00 0.00 H new ATOM 0 HA GLN A 37 4.183 -1.979 0.744 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.723 -2.116 -1.870 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.044 -0.967 -0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.455 -2.861 1.002 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.141 -4.006 -0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.519 -2.884 1.450 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.852 -2.791 0.294 1.00 0.00 H new ATOM 600 N LEU A 38 3.670 0.290 -0.447 1.00 0.00 N ATOM 601 CA LEU A 38 2.965 1.473 -0.908 1.00 0.00 C ATOM 602 C LEU A 38 3.952 2.411 -1.605 1.00 0.00 C ATOM 603 O LEU A 38 4.713 3.119 -0.946 1.00 0.00 O ATOM 604 CB LEU A 38 2.206 2.129 0.248 1.00 0.00 C ATOM 605 CG LEU A 38 0.861 2.766 -0.109 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.165 2.542 1.004 1.00 0.00 C ATOM 607 CD2 LEU A 38 1.029 4.250 -0.443 1.00 0.00 C ATOM 0 H LEU A 38 4.390 0.468 0.253 1.00 0.00 H new ATOM 0 HA LEU A 38 2.208 1.202 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.036 1.377 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.844 2.896 0.687 1.00 0.00 H new ATOM 0 HG LEU A 38 0.478 2.275 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.112 3.005 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.314 1.472 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.198 2.989 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.059 4.679 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.445 4.772 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.703 4.358 -1.293 1.00 0.00 H new ATOM 619 N ARG A 39 3.909 2.386 -2.929 1.00 0.00 N ATOM 620 CA ARG A 39 4.791 3.226 -3.722 1.00 0.00 C ATOM 621 C ARG A 39 4.017 4.415 -4.296 1.00 0.00 C ATOM 622 O ARG A 39 2.980 4.236 -4.933 1.00 0.00 O ATOM 623 CB ARG A 39 5.419 2.433 -4.870 1.00 0.00 C ATOM 624 CG ARG A 39 6.539 1.524 -4.360 1.00 0.00 C ATOM 625 CD ARG A 39 6.834 0.404 -5.360 1.00 0.00 C ATOM 626 NE ARG A 39 8.112 -0.258 -5.015 1.00 0.00 N ATOM 627 CZ ARG A 39 8.616 -1.309 -5.676 1.00 0.00 C ATOM 628 NH1 ARG A 39 7.954 -1.823 -6.721 1.00 0.00 N ATOM 629 NH2 ARG A 39 9.783 -1.846 -5.293 1.00 0.00 N ATOM 0 H ARG A 39 3.278 1.798 -3.473 1.00 0.00 H new ATOM 0 HA ARG A 39 5.584 3.587 -3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.654 1.833 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.815 3.120 -5.617 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.441 2.112 -4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.254 1.094 -3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.024 -0.325 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.887 0.811 -6.370 1.00 0.00 H new ATOM 0 HE ARG A 39 8.642 0.109 -4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.066 -1.414 -7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.338 -2.623 -7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.288 -1.455 -4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.166 -2.646 -5.797 1.00 0.00 H new ATOM 643 N TYR A 40 4.552 5.602 -4.050 1.00 0.00 N ATOM 644 CA TYR A 40 3.925 6.820 -4.534 1.00 0.00 C ATOM 645 C TYR A 40 4.927 7.685 -5.301 1.00 0.00 C ATOM 646 O TYR A 40 6.086 7.797 -4.905 1.00 0.00 O ATOM 647 CB TYR A 40 3.461 7.579 -3.290 1.00 0.00 C ATOM 648 CG TYR A 40 4.601 8.031 -2.376 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.282 9.201 -2.648 1.00 0.00 C ATOM 650 CD2 TYR A 40 4.950 7.270 -1.279 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.355 9.626 -1.788 1.00 0.00 C ATOM 652 CE2 TYR A 40 6.023 7.695 -0.418 1.00 0.00 C ATOM 653 CZ TYR A 40 6.673 8.853 -0.715 1.00 0.00 C ATOM 654 OH TYR A 40 7.687 9.255 0.097 1.00 0.00 O ATOM 0 H TYR A 40 5.413 5.746 -3.522 1.00 0.00 H new ATOM 0 HA TYR A 40 3.103 6.586 -5.211 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.891 8.454 -3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.783 6.943 -2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.009 9.797 -3.506 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.418 6.355 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.896 10.539 -1.990 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.305 7.108 0.444 1.00 0.00 H new ATOM 0 HH TYR A 40 7.802 8.606 0.823 1.00 0.00 H new ATOM 664 N TYR A 41 4.444 8.275 -6.384 1.00 0.00 N ATOM 665 CA TYR A 41 5.283 9.127 -7.210 1.00 0.00 C ATOM 666 C TYR A 41 4.678 10.525 -7.347 1.00 0.00 C ATOM 667 O TYR A 41 3.515 10.738 -7.007 1.00 0.00 O ATOM 668 CB TYR A 41 5.327 8.466 -8.589 1.00 0.00 C ATOM 669 CG TYR A 41 5.914 7.053 -8.583 1.00 0.00 C ATOM 670 CD1 TYR A 41 5.247 6.031 -7.937 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.110 6.799 -9.225 1.00 0.00 C ATOM 672 CE1 TYR A 41 5.800 4.702 -7.932 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.662 5.469 -9.219 1.00 0.00 C ATOM 674 CZ TYR A 41 6.979 4.486 -8.573 1.00 0.00 C ATOM 675 OH TYR A 41 7.501 3.230 -8.568 1.00 0.00 O ATOM 0 H TYR A 41 3.482 8.180 -6.709 1.00 0.00 H new ATOM 0 HA TYR A 41 6.273 9.236 -6.767 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.316 8.427 -8.994 1.00 0.00 H new ATOM 0 HB3 TYR A 41 5.916 9.090 -9.261 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.311 6.229 -7.436 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.631 7.598 -9.732 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.289 3.894 -7.430 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.597 5.257 -9.716 1.00 0.00 H new ATOM 0 HH TYR A 41 8.345 3.225 -9.066 1.00 0.00 H new ATOM 836 N VAL A 52 8.409 4.436 0.289 1.00 0.00 N ATOM 837 CA VAL A 52 7.780 3.126 0.318 1.00 0.00 C ATOM 838 C VAL A 52 7.108 2.918 1.677 1.00 0.00 C ATOM 839 O VAL A 52 7.551 3.470 2.684 1.00 0.00 O ATOM 840 CB VAL A 52 8.810 2.044 -0.011 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.416 0.704 0.612 1.00 0.00 C ATOM 842 CG2 VAL A 52 9.000 1.910 -1.524 1.00 0.00 C ATOM 0 HA VAL A 52 7.003 3.058 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 52 9.764 2.347 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.165 -0.047 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.355 0.810 1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.447 0.393 0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.737 1.134 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.051 1.641 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.347 2.859 -1.933 1.00 0.00 H new ATOM 852 N ILE A 53 6.051 2.120 1.662 1.00 0.00 N ATOM 853 CA ILE A 53 5.313 1.832 2.881 1.00 0.00 C ATOM 854 C ILE A 53 4.926 0.352 2.900 1.00 0.00 C ATOM 855 O ILE A 53 3.940 -0.043 2.279 1.00 0.00 O ATOM 856 CB ILE A 53 4.122 2.781 3.023 1.00 0.00 C ATOM 857 CG1 ILE A 53 4.380 4.099 2.290 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.772 3.004 4.496 1.00 0.00 C ATOM 859 CD1 ILE A 53 3.147 5.004 2.337 1.00 0.00 C ATOM 0 H ILE A 53 5.688 1.664 0.825 1.00 0.00 H new ATOM 0 HA ILE A 53 5.938 2.010 3.756 1.00 0.00 H new ATOM 0 HB ILE A 53 3.256 2.315 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.229 4.611 2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.647 3.896 1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.922 3.682 4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.516 2.050 4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.628 3.438 5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.358 5.934 1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.306 4.499 1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.897 5.225 3.375 1.00 0.00 H new ATOM 871 N ASP A 54 5.722 -0.426 3.618 1.00 0.00 N ATOM 872 CA ASP A 54 5.474 -1.854 3.726 1.00 0.00 C ATOM 873 C ASP A 54 4.042 -2.084 4.212 1.00 0.00 C ATOM 874 O ASP A 54 3.692 -1.699 5.327 1.00 0.00 O ATOM 875 CB ASP A 54 6.425 -2.503 4.733 1.00 0.00 C ATOM 876 CG ASP A 54 6.632 -4.008 4.550 1.00 0.00 C ATOM 877 OD1 ASP A 54 6.934 -4.404 3.404 1.00 0.00 O ATOM 878 OD2 ASP A 54 6.483 -4.729 5.561 1.00 0.00 O ATOM 0 H ASP A 54 6.539 -0.095 4.131 1.00 0.00 H new ATOM 0 HA ASP A 54 5.631 -2.299 2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.394 -2.008 4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.043 -2.324 5.738 1.00 0.00 H new ATOM 883 N LEU A 55 3.252 -2.710 3.352 1.00 0.00 N ATOM 884 CA LEU A 55 1.866 -2.995 3.679 1.00 0.00 C ATOM 885 C LEU A 55 1.815 -4.045 4.791 1.00 0.00 C ATOM 886 O LEU A 55 0.891 -4.051 5.603 1.00 0.00 O ATOM 887 CB LEU A 55 1.089 -3.392 2.423 1.00 0.00 C ATOM 888 CG LEU A 55 1.035 -2.345 1.309 1.00 0.00 C ATOM 889 CD1 LEU A 55 0.504 -2.953 0.009 1.00 0.00 C ATOM 890 CD2 LEU A 55 0.221 -1.124 1.744 1.00 0.00 C ATOM 0 H LEU A 55 3.546 -3.028 2.429 1.00 0.00 H new ATOM 0 HA LEU A 55 1.373 -2.101 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.532 -4.302 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.068 -3.637 2.714 1.00 0.00 H new ATOM 0 HG LEU A 55 2.051 -2.003 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.476 -2.187 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.159 -3.765 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.502 -3.340 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.198 -0.395 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.797 -1.432 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.681 -0.675 2.624 1.00 0.00 H new ATOM 902 N ALA A 56 2.820 -4.909 4.792 1.00 0.00 N ATOM 903 CA ALA A 56 2.901 -5.961 5.791 1.00 0.00 C ATOM 904 C ALA A 56 3.045 -5.332 7.178 1.00 0.00 C ATOM 905 O ALA A 56 2.841 -5.999 8.191 1.00 0.00 O ATOM 906 CB ALA A 56 4.063 -6.898 5.452 1.00 0.00 C ATOM 0 H ALA A 56 3.585 -4.902 4.117 1.00 0.00 H new ATOM 0 HA ALA A 56 1.990 -6.559 5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.124 -7.687 6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.898 -7.342 4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.995 -6.333 5.443 1.00 0.00 H new ATOM 912 N GLU A 57 3.396 -4.054 7.180 1.00 0.00 N ATOM 913 CA GLU A 57 3.569 -3.327 8.426 1.00 0.00 C ATOM 914 C GLU A 57 2.241 -2.714 8.872 1.00 0.00 C ATOM 915 O GLU A 57 2.025 -2.490 10.062 1.00 0.00 O ATOM 916 CB GLU A 57 4.650 -2.253 8.288 1.00 0.00 C ATOM 917 CG GLU A 57 6.047 -2.878 8.287 1.00 0.00 C ATOM 918 CD GLU A 57 7.131 -1.799 8.327 1.00 0.00 C ATOM 919 OE1 GLU A 57 6.925 -0.763 7.658 1.00 0.00 O ATOM 920 OE2 GLU A 57 8.141 -2.034 9.025 1.00 0.00 O ATOM 0 H GLU A 57 3.565 -3.504 6.338 1.00 0.00 H new ATOM 0 HA GLU A 57 3.897 -4.030 9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.497 -1.694 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.567 -1.541 9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.154 -3.538 9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.174 -3.493 7.396 1.00 0.00 H new ATOM 927 N VAL A 58 1.385 -2.459 7.893 1.00 0.00 N ATOM 928 CA VAL A 58 0.083 -1.876 8.170 1.00 0.00 C ATOM 929 C VAL A 58 -0.717 -2.826 9.062 1.00 0.00 C ATOM 930 O VAL A 58 -0.848 -4.010 8.755 1.00 0.00 O ATOM 931 CB VAL A 58 -0.631 -1.543 6.858 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.065 -1.077 7.118 1.00 0.00 C ATOM 933 CG2 VAL A 58 0.149 -0.498 6.059 1.00 0.00 C ATOM 0 H VAL A 58 1.568 -2.645 6.907 1.00 0.00 H new ATOM 0 HA VAL A 58 0.192 -0.937 8.712 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.678 -2.454 6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.550 -0.847 6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.618 -1.867 7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.050 -0.185 7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.380 -0.280 5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.242 0.415 6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.142 -0.883 5.828 1.00 0.00 H new ATOM 943 N GLU A 59 -1.232 -2.272 10.150 1.00 0.00 N ATOM 944 CA GLU A 59 -2.016 -3.056 11.090 1.00 0.00 C ATOM 945 C GLU A 59 -3.497 -3.018 10.706 1.00 0.00 C ATOM 946 O GLU A 59 -4.227 -3.981 10.937 1.00 0.00 O ATOM 947 CB GLU A 59 -1.808 -2.563 12.523 1.00 0.00 C ATOM 948 CG GLU A 59 -0.411 -2.926 13.030 1.00 0.00 C ATOM 949 CD GLU A 59 -0.140 -2.287 14.394 1.00 0.00 C ATOM 950 OE1 GLU A 59 -0.228 -1.042 14.465 1.00 0.00 O ATOM 951 OE2 GLU A 59 0.149 -3.058 15.334 1.00 0.00 O ATOM 0 H GLU A 59 -1.122 -1.290 10.402 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.675 -4.090 11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.944 -1.482 12.563 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.562 -3.003 13.176 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.318 -4.009 13.107 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.338 -2.592 12.312 1.00 0.00 H new ATOM 958 N ALA A 60 -3.897 -1.895 10.127 1.00 0.00 N ATOM 959 CA ALA A 60 -5.278 -1.719 9.710 1.00 0.00 C ATOM 960 C ALA A 60 -5.509 -0.254 9.332 1.00 0.00 C ATOM 961 O ALA A 60 -4.608 0.573 9.461 1.00 0.00 O ATOM 962 CB ALA A 60 -6.213 -2.188 10.826 1.00 0.00 C ATOM 0 H ALA A 60 -3.289 -1.098 9.937 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.493 -2.325 8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.249 -2.056 10.513 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.029 -3.242 11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.028 -1.601 11.726 1.00 0.00 H new ATOM 968 N VAL A 61 -6.721 0.021 8.874 1.00 0.00 N ATOM 969 CA VAL A 61 -7.082 1.371 8.477 1.00 0.00 C ATOM 970 C VAL A 61 -8.511 1.668 8.935 1.00 0.00 C ATOM 971 O VAL A 61 -9.298 0.750 9.159 1.00 0.00 O ATOM 972 CB VAL A 61 -6.890 1.542 6.969 1.00 0.00 C ATOM 973 CG1 VAL A 61 -7.061 0.208 6.240 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.846 2.599 6.410 1.00 0.00 C ATOM 0 H VAL A 61 -7.466 -0.668 8.769 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.429 2.098 8.959 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.871 1.889 6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.919 0.358 5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.323 -0.505 6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.063 -0.181 6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.688 2.701 5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.875 2.295 6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.656 3.556 6.897 1.00 0.00 H new ATOM 984 N ALA A 62 -8.803 2.955 9.061 1.00 0.00 N ATOM 985 CA ALA A 62 -10.124 3.384 9.488 1.00 0.00 C ATOM 986 C ALA A 62 -10.477 4.701 8.794 1.00 0.00 C ATOM 987 O ALA A 62 -9.608 5.542 8.571 1.00 0.00 O ATOM 988 CB ALA A 62 -10.154 3.502 11.013 1.00 0.00 C ATOM 0 H ALA A 62 -8.147 3.714 8.875 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.877 2.649 9.203 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.145 3.824 11.334 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.926 2.533 11.457 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.413 4.233 11.336 1.00 0.00 H new ATOM 994 N PRO A 63 -11.788 4.842 8.462 1.00 0.00 N ATOM 995 CA PRO A 63 -12.267 6.042 7.798 1.00 0.00 C ATOM 996 C PRO A 63 -12.353 7.214 8.778 1.00 0.00 C ATOM 997 O PRO A 63 -13.231 7.246 9.638 1.00 0.00 O ATOM 998 CB PRO A 63 -13.616 5.657 7.214 1.00 0.00 C ATOM 999 CG PRO A 63 -14.053 4.408 7.962 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.846 3.867 8.710 1.00 0.00 C ATOM 0 HA PRO A 63 -11.592 6.386 7.014 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.340 6.462 7.341 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.538 5.464 6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.860 4.642 8.657 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.437 3.662 7.267 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.052 3.769 9.776 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.566 2.878 8.347 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.428 8.150 8.614 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.388 9.321 9.473 1.00 0.00 C ATOM 1010 C GLY A 64 -12.223 10.460 8.886 1.00 0.00 C ATOM 1011 O GLY A 64 -12.999 10.250 7.955 1.00 0.00 O ATOM 0 H GLY A 64 -10.701 8.120 7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.763 9.063 10.463 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.356 9.649 9.599 1.00 0.00 H new ATOM 1015 N THR A 65 -12.036 11.642 9.455 1.00 0.00 N ATOM 1016 CA THR A 65 -12.762 12.816 9.000 1.00 0.00 C ATOM 1017 C THR A 65 -11.787 13.921 8.590 1.00 0.00 C ATOM 1018 O THR A 65 -10.635 13.929 9.021 1.00 0.00 O ATOM 1019 CB THR A 65 -13.725 13.236 10.111 1.00 0.00 C ATOM 1020 OG1 THR A 65 -13.028 12.919 11.313 1.00 0.00 O ATOM 1021 CG2 THR A 65 -14.977 12.359 10.164 1.00 0.00 C ATOM 0 H THR A 65 -11.392 11.812 10.227 1.00 0.00 H new ATOM 0 HA THR A 65 -13.348 12.597 8.108 1.00 0.00 H new ATOM 0 HB THR A 65 -14.017 14.276 9.964 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.581 13.161 12.085 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.626 12.700 10.970 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.509 12.427 9.215 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.688 11.323 10.344 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.297 14.852 7.740 1.00 0.00 N ATOM 1030 CA PRO A 66 -11.484 15.959 7.267 1.00 0.00 C ATOM 1031 C PRO A 66 -11.299 17.011 8.363 1.00 0.00 C ATOM 1032 O PRO A 66 -12.256 17.377 9.045 1.00 0.00 O ATOM 1033 CB PRO A 66 -12.218 16.494 6.048 1.00 0.00 C ATOM 1034 CG PRO A 66 -13.642 15.972 6.157 1.00 0.00 C ATOM 1035 CD PRO A 66 -13.657 14.874 7.208 1.00 0.00 C ATOM 0 HA PRO A 66 -10.471 15.654 7.003 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.202 17.584 6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.746 16.152 5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.323 16.776 6.435 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -13.981 15.585 5.196 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.385 15.085 7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.927 13.912 6.772 1.00 0.00 H new ATOM 1043 N THR A 67 -10.063 17.467 8.498 1.00 0.00 N ATOM 1044 CA THR A 67 -9.741 18.470 9.500 1.00 0.00 C ATOM 1045 C THR A 67 -9.009 19.650 8.857 1.00 0.00 C ATOM 1046 O THR A 67 -9.181 19.919 7.669 1.00 0.00 O ATOM 1047 CB THR A 67 -8.938 17.788 10.609 1.00 0.00 C ATOM 1048 OG1 THR A 67 -7.626 17.668 10.065 1.00 0.00 O ATOM 1049 CG2 THR A 67 -9.377 16.342 10.846 1.00 0.00 C ATOM 0 H THR A 67 -9.272 17.161 7.931 1.00 0.00 H new ATOM 0 HA THR A 67 -10.643 18.891 9.944 1.00 0.00 H new ATOM 0 HB THR A 67 -9.043 18.355 11.534 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.038 17.237 10.720 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.775 15.905 11.643 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.428 16.323 11.133 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.241 15.766 9.931 1.00 0.00 H new ATOM 1057 N ILE A 68 -8.209 20.322 9.671 1.00 0.00 N ATOM 1058 CA ILE A 68 -7.450 21.467 9.197 1.00 0.00 C ATOM 1059 C ILE A 68 -6.539 21.030 8.048 1.00 0.00 C ATOM 1060 O ILE A 68 -6.235 19.846 7.909 1.00 0.00 O ATOM 1061 CB ILE A 68 -6.704 22.133 10.355 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -7.682 22.671 11.401 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -5.755 23.219 9.844 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -6.998 22.832 12.760 1.00 0.00 C ATOM 0 H ILE A 68 -8.070 20.096 10.656 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.120 22.230 8.800 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.092 21.377 10.847 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.078 23.632 11.073 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.530 21.992 11.495 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.237 23.676 10.687 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.025 22.775 9.167 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.326 23.980 9.313 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.715 23.216 13.485 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.624 21.865 13.096 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.166 23.530 12.668 1.00 0.00 H new ATOM 1076 N GLY A 69 -6.128 22.009 7.255 1.00 0.00 N ATOM 1077 CA GLY A 69 -5.258 21.739 6.123 1.00 0.00 C ATOM 1078 C GLY A 69 -5.663 20.445 5.416 1.00 0.00 C ATOM 1079 O GLY A 69 -4.840 19.549 5.232 1.00 0.00 O ATOM 0 H GLY A 69 -6.381 22.990 7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.302 22.571 5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.225 21.664 6.463 1.00 0.00 H new ATOM 1083 N ALA A 70 -6.932 20.387 5.038 1.00 0.00 N ATOM 1084 CA ALA A 70 -7.456 19.216 4.354 1.00 0.00 C ATOM 1085 C ALA A 70 -7.141 19.320 2.861 1.00 0.00 C ATOM 1086 O ALA A 70 -6.445 20.239 2.431 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.957 19.096 4.627 1.00 0.00 C ATOM 0 H ALA A 70 -7.612 21.131 5.192 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.983 18.308 4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.351 18.218 4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.125 18.996 5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.466 19.988 4.262 1.00 0.00 H new ATOM 1093 N PRO A 71 -7.682 18.338 2.090 1.00 0.00 N ATOM 1094 CA PRO A 71 -7.466 18.310 0.654 1.00 0.00 C ATOM 1095 C PRO A 71 -8.310 19.375 -0.049 1.00 0.00 C ATOM 1096 O PRO A 71 -8.769 20.325 0.583 1.00 0.00 O ATOM 1097 CB PRO A 71 -7.823 16.895 0.230 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.665 16.321 1.358 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.511 17.234 2.564 1.00 0.00 C ATOM 0 HA PRO A 71 -6.438 18.547 0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.377 16.897 -0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.926 16.297 0.070 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.711 16.256 1.059 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.340 15.309 1.601 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.479 17.589 2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -8.039 16.713 3.397 1.00 0.00 H new ATOM 1107 N LYS A 72 -8.490 19.181 -1.347 1.00 0.00 N ATOM 1108 CA LYS A 72 -9.270 20.113 -2.143 1.00 0.00 C ATOM 1109 C LYS A 72 -10.754 19.940 -1.813 1.00 0.00 C ATOM 1110 O LYS A 72 -11.367 20.819 -1.209 1.00 0.00 O ATOM 1111 CB LYS A 72 -8.948 19.950 -3.629 1.00 0.00 C ATOM 1112 CG LYS A 72 -7.930 20.997 -4.088 1.00 0.00 C ATOM 1113 CD LYS A 72 -8.591 22.050 -4.979 1.00 0.00 C ATOM 1114 CE LYS A 72 -7.566 22.702 -5.910 1.00 0.00 C ATOM 1115 NZ LYS A 72 -8.244 23.553 -6.912 1.00 0.00 N ATOM 0 H LYS A 72 -8.109 18.391 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.005 21.141 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.554 18.950 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.862 20.045 -4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.482 21.480 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.122 20.509 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.382 21.587 -5.570 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.061 22.813 -4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.867 23.302 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.982 21.932 -6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.534 23.988 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.893 22.971 -7.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.782 24.299 -6.427 1.00 0.00 H new ATOM 1129 N THR A 73 -11.290 18.800 -2.225 1.00 0.00 N ATOM 1130 CA THR A 73 -12.690 18.500 -1.981 1.00 0.00 C ATOM 1131 C THR A 73 -12.908 16.987 -1.914 1.00 0.00 C ATOM 1132 O THR A 73 -13.405 16.385 -2.864 1.00 0.00 O ATOM 1133 CB THR A 73 -13.518 19.185 -3.070 1.00 0.00 C ATOM 1134 OG1 THR A 73 -13.407 18.312 -4.191 1.00 0.00 O ATOM 1135 CG2 THR A 73 -12.884 20.491 -3.552 1.00 0.00 C ATOM 0 H THR A 73 -10.779 18.073 -2.726 1.00 0.00 H new ATOM 0 HA THR A 73 -13.014 18.887 -1.015 1.00 0.00 H new ATOM 0 HB THR A 73 -14.520 19.385 -2.692 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.975 17.526 -4.051 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.511 20.937 -4.324 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.794 21.182 -2.714 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.895 20.286 -3.962 1.00 0.00 H new ATOM 1143 N VAL A 74 -12.525 16.415 -0.781 1.00 0.00 N ATOM 1144 CA VAL A 74 -12.672 14.984 -0.578 1.00 0.00 C ATOM 1145 C VAL A 74 -13.827 14.727 0.392 1.00 0.00 C ATOM 1146 O VAL A 74 -14.101 15.546 1.267 1.00 0.00 O ATOM 1147 CB VAL A 74 -11.347 14.384 -0.102 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.480 12.879 0.133 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -10.221 14.687 -1.093 1.00 0.00 C ATOM 0 H VAL A 74 -12.113 16.917 0.006 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.919 14.489 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.091 14.850 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.524 12.478 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.240 12.695 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.771 12.390 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.290 14.250 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.468 14.261 -2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.101 15.766 -1.189 1.00 0.00 H new ATOM 1159 N ASP A 75 -14.473 13.586 0.203 1.00 0.00 N ATOM 1160 CA ASP A 75 -15.592 13.211 1.050 1.00 0.00 C ATOM 1161 C ASP A 75 -15.061 12.611 2.353 1.00 0.00 C ATOM 1162 O ASP A 75 -14.300 11.645 2.331 1.00 0.00 O ATOM 1163 CB ASP A 75 -16.470 12.159 0.369 1.00 0.00 C ATOM 1164 CG ASP A 75 -17.904 12.605 0.075 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -18.087 13.278 -0.963 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -18.784 12.264 0.894 1.00 0.00 O ATOM 0 H ASP A 75 -14.243 12.909 -0.524 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.184 14.106 1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -15.998 11.865 -0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.504 11.272 1.001 1.00 0.00 H new ATOM 1171 N GLU A 76 -15.483 13.209 3.458 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.060 12.745 4.768 1.00 0.00 C ATOM 1173 C GLU A 76 -14.950 11.219 4.782 1.00 0.00 C ATOM 1174 O GLU A 76 -14.082 10.662 5.452 1.00 0.00 O ATOM 1175 CB GLU A 76 -16.015 13.236 5.858 1.00 0.00 C ATOM 1176 CG GLU A 76 -17.472 13.095 5.414 1.00 0.00 C ATOM 1177 CD GLU A 76 -18.428 13.379 6.574 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -18.415 12.574 7.531 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -19.152 14.394 6.478 1.00 0.00 O ATOM 0 H GLU A 76 -16.113 14.011 3.473 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.075 13.162 4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.853 12.666 6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.801 14.279 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.674 13.784 4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.644 12.088 5.034 1.00 0.00 H new ATOM 1186 N LYS A 77 -15.841 10.587 4.033 1.00 0.00 N ATOM 1187 CA LYS A 77 -15.855 9.136 3.951 1.00 0.00 C ATOM 1188 C LYS A 77 -14.535 8.651 3.348 1.00 0.00 C ATOM 1189 O LYS A 77 -13.832 7.842 3.953 1.00 0.00 O ATOM 1190 CB LYS A 77 -17.092 8.655 3.190 1.00 0.00 C ATOM 1191 CG LYS A 77 -18.369 8.942 3.982 1.00 0.00 C ATOM 1192 CD LYS A 77 -19.598 8.911 3.070 1.00 0.00 C ATOM 1193 CE LYS A 77 -20.444 7.664 3.333 1.00 0.00 C ATOM 1194 NZ LYS A 77 -21.812 8.044 3.751 1.00 0.00 N ATOM 0 H LYS A 77 -16.558 11.053 3.477 1.00 0.00 H new ATOM 0 HA LYS A 77 -15.931 8.699 4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.142 9.150 2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.012 7.585 2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.482 8.204 4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.292 9.918 4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.200 9.805 3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.282 8.927 2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.490 7.052 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.976 7.057 4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.373 7.186 3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.764 8.609 4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.262 8.604 2.999 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.237 9.166 2.164 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.014 8.796 1.473 1.00 0.00 C ATOM 1210 C ALA A 78 -11.872 8.695 2.486 1.00 0.00 C ATOM 1211 O ALA A 78 -11.287 7.627 2.663 1.00 0.00 O ATOM 1212 CB ALA A 78 -12.724 9.813 0.367 1.00 0.00 C ATOM 0 H ALA A 78 -14.822 9.837 1.666 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.122 7.821 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -11.806 9.535 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -13.552 9.825 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -12.607 10.804 0.806 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.588 9.821 3.125 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.527 9.872 4.115 1.00 0.00 C ATOM 1220 C PHE A 79 -10.421 8.549 4.875 1.00 0.00 C ATOM 1221 O PHE A 79 -11.435 7.954 5.238 1.00 0.00 O ATOM 1222 CB PHE A 79 -10.888 10.985 5.101 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.802 12.393 4.509 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -11.863 12.913 3.834 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -9.666 13.125 4.656 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -11.783 14.220 3.284 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -9.586 14.432 4.107 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.647 14.952 3.432 1.00 0.00 C ATOM 0 H PHE A 79 -12.075 10.705 2.976 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.571 10.056 3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.901 10.817 5.467 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.223 10.923 5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.766 12.332 3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.824 12.712 5.191 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.625 14.633 2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.683 15.013 4.225 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.587 15.946 3.014 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.185 8.126 5.094 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.933 6.883 5.805 1.00 0.00 C ATOM 1240 C PHE A 80 -7.513 6.854 6.372 1.00 0.00 C ATOM 1241 O PHE A 80 -6.543 7.029 5.636 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.088 5.749 4.790 1.00 0.00 C ATOM 1243 CG PHE A 80 -8.033 5.757 3.682 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.180 6.579 2.608 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -6.947 4.943 3.771 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.201 6.586 1.580 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -5.968 4.950 2.743 1.00 0.00 C ATOM 1248 CZ PHE A 80 -6.115 5.772 1.669 1.00 0.00 C ATOM 0 H PHE A 80 -8.346 8.622 4.792 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.629 6.782 6.637 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.040 4.795 5.316 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.077 5.814 4.336 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.042 7.226 2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.829 4.291 4.624 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.319 7.238 0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.106 4.303 2.814 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.370 5.778 0.887 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.435 6.632 7.676 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.150 6.578 8.351 1.00 0.00 C ATOM 1260 C ASP A 81 -5.570 5.168 8.221 1.00 0.00 C ATOM 1261 O ASP A 81 -6.261 4.183 8.476 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.296 6.894 9.841 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.527 8.127 10.318 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -5.399 9.067 9.504 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -5.084 8.102 11.487 1.00 0.00 O ATOM 0 H ASP A 81 -8.242 6.487 8.283 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.495 7.317 7.889 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.353 7.034 10.065 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.960 6.030 10.415 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.306 5.116 7.826 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.626 3.843 7.660 1.00 0.00 C ATOM 1272 C VAL A 82 -2.669 3.624 8.833 1.00 0.00 C ATOM 1273 O VAL A 82 -1.605 4.239 8.894 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.925 3.798 6.300 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -2.044 2.553 6.178 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.940 3.866 5.158 1.00 0.00 C ATOM 0 H VAL A 82 -3.735 5.935 7.616 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.344 3.023 7.669 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.279 4.673 6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.558 2.546 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.286 2.565 6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.660 1.660 6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.416 3.832 4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.623 3.019 5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.506 4.795 5.229 1.00 0.00 H new ATOM 1286 N LYS A 83 -3.081 2.746 9.736 1.00 0.00 N ATOM 1287 CA LYS A 83 -2.273 2.439 10.904 1.00 0.00 C ATOM 1288 C LYS A 83 -1.128 1.510 10.496 1.00 0.00 C ATOM 1289 O LYS A 83 -1.356 0.469 9.882 1.00 0.00 O ATOM 1290 CB LYS A 83 -3.148 1.880 12.028 1.00 0.00 C ATOM 1291 CG LYS A 83 -4.115 2.943 12.551 1.00 0.00 C ATOM 1292 CD LYS A 83 -5.184 2.318 13.449 1.00 0.00 C ATOM 1293 CE LYS A 83 -5.475 3.211 14.657 1.00 0.00 C ATOM 1294 NZ LYS A 83 -5.804 2.387 15.843 1.00 0.00 N ATOM 0 H LYS A 83 -3.964 2.238 9.682 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.821 3.346 11.304 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.710 1.020 11.663 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.517 1.525 12.843 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.563 3.699 13.109 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.591 3.451 11.712 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.099 2.163 12.878 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.851 1.337 13.789 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.609 3.837 14.871 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.305 3.881 14.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.999 3.008 16.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.644 1.808 15.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.001 1.766 16.068 1.00 0.00 H new ATOM 1308 N THR A 84 0.080 1.921 10.854 1.00 0.00 N ATOM 1309 CA THR A 84 1.262 1.138 10.533 1.00 0.00 C ATOM 1310 C THR A 84 2.136 0.959 11.776 1.00 0.00 C ATOM 1311 O THR A 84 1.747 1.351 12.875 1.00 0.00 O ATOM 1312 CB THR A 84 1.986 1.829 9.376 1.00 0.00 C ATOM 1313 OG1 THR A 84 1.766 3.218 9.608 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.315 1.566 8.026 1.00 0.00 C ATOM 0 H THR A 84 0.266 2.785 11.363 1.00 0.00 H new ATOM 0 HA THR A 84 0.995 0.131 10.214 1.00 0.00 H new ATOM 0 HB THR A 84 3.021 1.488 9.340 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.303 3.511 10.374 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.868 2.079 7.239 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.308 0.495 7.826 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.290 1.937 8.050 1.00 0.00 H new ATOM 1322 N THR A 85 3.301 0.367 11.560 1.00 0.00 N ATOM 1323 CA THR A 85 4.234 0.130 12.649 1.00 0.00 C ATOM 1324 C THR A 85 5.009 1.409 12.975 1.00 0.00 C ATOM 1325 O THR A 85 5.226 1.727 14.143 1.00 0.00 O ATOM 1326 CB THR A 85 5.135 -1.042 12.254 1.00 0.00 C ATOM 1327 OG1 THR A 85 5.573 -0.715 10.938 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.354 -2.345 12.074 1.00 0.00 C ATOM 0 H THR A 85 3.621 0.044 10.647 1.00 0.00 H new ATOM 0 HA THR A 85 3.711 -0.139 13.566 1.00 0.00 H new ATOM 0 HB THR A 85 5.904 -1.181 13.014 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.518 -0.954 10.839 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.040 -3.145 11.794 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.857 -2.604 13.009 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.607 -2.216 11.290 1.00 0.00 H new ATOM 1336 N ARG A 86 5.404 2.108 11.921 1.00 0.00 N ATOM 1337 CA ARG A 86 6.150 3.345 12.080 1.00 0.00 C ATOM 1338 C ARG A 86 5.286 4.400 12.774 1.00 0.00 C ATOM 1339 O ARG A 86 5.536 4.752 13.926 1.00 0.00 O ATOM 1340 CB ARG A 86 6.614 3.886 10.726 1.00 0.00 C ATOM 1341 CG ARG A 86 7.899 3.192 10.270 1.00 0.00 C ATOM 1342 CD ARG A 86 8.844 4.182 9.585 1.00 0.00 C ATOM 1343 NE ARG A 86 9.500 3.536 8.427 1.00 0.00 N ATOM 1344 CZ ARG A 86 10.491 4.094 7.717 1.00 0.00 C ATOM 1345 NH1 ARG A 86 10.946 5.311 8.044 1.00 0.00 N ATOM 1346 NH2 ARG A 86 11.027 3.434 6.681 1.00 0.00 N ATOM 0 H ARG A 86 5.222 1.841 10.954 1.00 0.00 H new ATOM 0 HA ARG A 86 7.026 3.128 12.691 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.831 3.735 9.982 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.783 4.960 10.798 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.398 2.742 11.128 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.655 2.382 9.583 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.288 5.060 9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.597 4.529 10.293 1.00 0.00 H new ATOM 0 HE ARG A 86 9.178 2.608 8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.538 5.813 8.833 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.700 5.736 7.504 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.681 2.507 6.433 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.781 3.859 6.141 1.00 0.00 H new ATOM 1360 N ARG A 87 4.287 4.874 12.044 1.00 0.00 N ATOM 1361 CA ARG A 87 3.385 5.882 12.575 1.00 0.00 C ATOM 1362 C ARG A 87 2.062 5.868 11.805 1.00 0.00 C ATOM 1363 O ARG A 87 1.989 5.336 10.699 1.00 0.00 O ATOM 1364 CB ARG A 87 4.005 7.278 12.486 1.00 0.00 C ATOM 1365 CG ARG A 87 4.171 7.712 11.028 1.00 0.00 C ATOM 1366 CD ARG A 87 5.043 8.965 10.925 1.00 0.00 C ATOM 1367 NE ARG A 87 4.946 9.539 9.564 1.00 0.00 N ATOM 1368 CZ ARG A 87 5.686 9.133 8.524 1.00 0.00 C ATOM 1369 NH1 ARG A 87 6.582 8.149 8.682 1.00 0.00 N ATOM 1370 NH2 ARG A 87 5.531 9.711 7.325 1.00 0.00 N ATOM 0 H ARG A 87 4.082 4.579 11.089 1.00 0.00 H new ATOM 0 HA ARG A 87 3.202 5.645 13.623 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.374 7.994 13.013 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.975 7.281 12.983 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.621 6.903 10.453 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.193 7.908 10.590 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.724 9.701 11.663 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.080 8.716 11.151 1.00 0.00 H new ATOM 0 HE ARG A 87 4.274 10.290 9.409 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.701 7.709 9.595 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.145 7.840 7.890 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.849 10.460 7.204 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.095 9.402 6.533 1.00 0.00 H new ATOM 1384 N VAL A 88 1.050 6.460 12.422 1.00 0.00 N ATOM 1385 CA VAL A 88 -0.266 6.523 11.809 1.00 0.00 C ATOM 1386 C VAL A 88 -0.225 7.485 10.620 1.00 0.00 C ATOM 1387 O VAL A 88 0.385 8.551 10.700 1.00 0.00 O ATOM 1388 CB VAL A 88 -1.313 6.911 12.855 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.503 7.619 12.204 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.771 5.687 13.651 1.00 0.00 C ATOM 0 H VAL A 88 1.115 6.900 13.340 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.555 5.544 11.426 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.849 7.609 13.551 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.232 7.884 12.970 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.158 8.524 11.703 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.967 6.955 11.475 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.515 5.990 14.388 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.209 4.955 12.973 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.916 5.243 14.160 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.881 7.075 9.544 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.927 7.887 8.340 1.00 0.00 C ATOM 1402 C TYR A 89 -2.335 8.433 8.101 1.00 0.00 C ATOM 1403 O TYR A 89 -3.298 7.966 8.708 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.552 6.953 7.188 1.00 0.00 C ATOM 1405 CG TYR A 89 0.856 6.365 7.296 1.00 0.00 C ATOM 1406 CD1 TYR A 89 1.871 7.104 7.870 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.112 5.095 6.820 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.196 6.550 7.972 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.438 4.541 6.922 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.414 5.296 7.492 1.00 0.00 C ATOM 1411 OH TYR A 89 4.666 4.773 7.589 1.00 0.00 O ATOM 0 H TYR A 89 -1.385 6.191 9.481 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.252 8.739 8.425 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.273 6.137 7.146 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.635 7.500 6.249 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.671 8.098 8.243 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.318 4.516 6.371 1.00 0.00 H new ATOM 0 HE1 TYR A 89 3.999 7.117 8.420 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.652 3.548 6.554 1.00 0.00 H new ATOM 0 HH TYR A 89 4.674 3.871 7.207 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.412 9.416 7.215 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.687 10.031 6.888 1.00 0.00 C ATOM 1423 C ASN A 90 -3.830 10.120 5.367 1.00 0.00 C ATOM 1424 O ASN A 90 -3.440 11.116 4.761 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.776 11.449 7.455 1.00 0.00 C ATOM 1426 CG ASN A 90 -4.746 11.508 8.636 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -4.178 11.273 9.815 1.00 0.00 O flip ATOM 1428 ND2 ASN A 90 -5.933 11.750 8.487 1.00 0.00 N flip ATOM 0 H ASN A 90 -1.612 9.801 6.714 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.478 9.419 7.322 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.788 11.779 7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.105 12.136 6.675 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -6.305 11.921 7.553 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.553 11.781 9.297 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.391 9.064 4.795 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.591 9.011 3.357 1.00 0.00 C ATOM 1437 C PHE A 91 -6.075 9.127 3.005 1.00 0.00 C ATOM 1438 O PHE A 91 -6.938 8.848 3.836 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.072 7.651 2.884 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.576 7.438 3.125 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.720 8.493 3.061 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.103 6.194 3.403 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.331 8.295 3.285 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.714 5.996 3.627 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.142 7.051 3.563 1.00 0.00 C ATOM 0 H PHE A 91 -4.713 8.239 5.301 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.066 9.837 2.877 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.627 6.864 3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.277 7.546 1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.096 9.481 2.840 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.783 5.356 3.454 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.349 9.133 3.234 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.338 5.008 3.848 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.198 6.901 3.733 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.327 9.540 1.771 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.692 9.697 1.299 1.00 0.00 C ATOM 1457 C CYS A 92 -7.685 9.606 -0.229 1.00 0.00 C ATOM 1458 O CYS A 92 -6.670 9.880 -0.866 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.313 11.006 1.789 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.660 12.412 0.817 1.00 0.00 S ATOM 0 H CYS A 92 -5.609 9.771 1.084 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.314 8.901 1.707 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.398 10.961 1.695 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.091 11.150 2.846 1.00 0.00 H new ATOM 0 HG CYS A 92 -7.250 13.344 1.625 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.831 9.219 -0.771 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.969 9.088 -2.212 1.00 0.00 C ATOM 1468 C ALA A 93 -9.667 10.331 -2.768 1.00 0.00 C ATOM 1469 O ALA A 93 -10.170 11.157 -2.008 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.728 7.800 -2.537 1.00 0.00 C ATOM 0 H ALA A 93 -9.671 8.992 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.990 9.019 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.832 7.702 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.177 6.945 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.717 7.835 -2.079 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.674 10.426 -4.089 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.301 11.554 -4.756 1.00 0.00 C ATOM 1478 C GLN A 94 -11.802 11.307 -4.918 1.00 0.00 C ATOM 1479 O GLN A 94 -12.519 12.149 -5.458 1.00 0.00 O ATOM 1480 CB GLN A 94 -9.641 11.828 -6.109 1.00 0.00 C ATOM 1481 CG GLN A 94 -8.678 13.013 -6.019 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.092 14.130 -6.980 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -10.007 14.896 -6.725 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -8.369 14.179 -8.095 1.00 0.00 N ATOM 0 H GLN A 94 -9.255 9.739 -4.716 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.163 12.440 -4.136 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.102 10.941 -6.441 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.407 12.033 -6.857 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.660 13.395 -4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.666 12.683 -6.254 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.617 13.507 -8.245 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.567 14.889 -8.800 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.234 10.149 -4.442 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.637 9.780 -4.528 1.00 0.00 C ATOM 1495 C ASP A 95 -14.015 8.940 -3.306 1.00 0.00 C ATOM 1496 O ASP A 95 -13.142 8.467 -2.579 1.00 0.00 O ATOM 1497 CB ASP A 95 -13.912 8.945 -5.780 1.00 0.00 C ATOM 1498 CG ASP A 95 -15.180 9.326 -6.546 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -15.664 10.455 -6.316 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -15.637 8.479 -7.344 1.00 0.00 O ATOM 0 H ASP A 95 -11.637 9.453 -3.995 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.225 10.697 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.059 9.034 -6.452 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -13.982 7.896 -5.491 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.316 8.779 -3.118 1.00 0.00 N ATOM 1506 CA VAL A 96 -15.820 8.004 -1.997 1.00 0.00 C ATOM 1507 C VAL A 96 -15.627 6.514 -2.285 1.00 0.00 C ATOM 1508 O VAL A 96 -15.140 5.771 -1.435 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.278 8.375 -1.717 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.089 7.143 -1.312 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.370 9.468 -0.650 1.00 0.00 C ATOM 0 H VAL A 96 -16.037 9.172 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.260 8.235 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.707 8.770 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.121 7.434 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.064 6.410 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.661 6.706 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.417 9.713 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -16.916 9.113 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.843 10.358 -0.994 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.030 6.110 -3.520 1.00 0.00 N ATOM 1522 CA PRO A 97 -15.907 4.722 -3.931 1.00 0.00 C ATOM 1523 C PRO A 97 -14.452 4.373 -4.254 1.00 0.00 C ATOM 1524 O PRO A 97 -14.089 3.199 -4.308 1.00 0.00 O ATOM 1525 CB PRO A 97 -16.831 4.583 -5.130 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.079 5.997 -5.631 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.612 6.962 -4.554 1.00 0.00 C ATOM 0 HA PRO A 97 -16.190 4.024 -3.144 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.375 3.968 -5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -17.766 4.099 -4.849 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.539 6.173 -6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.137 6.146 -5.844 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -15.879 7.667 -4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.442 7.550 -4.162 1.00 0.00 H new ATOM 1535 N SER A 98 -13.659 5.414 -4.459 1.00 0.00 N ATOM 1536 CA SER A 98 -12.252 5.233 -4.775 1.00 0.00 C ATOM 1537 C SER A 98 -11.468 4.911 -3.501 1.00 0.00 C ATOM 1538 O SER A 98 -10.570 4.071 -3.517 1.00 0.00 O ATOM 1539 CB SER A 98 -11.675 6.476 -5.455 1.00 0.00 C ATOM 1540 OG SER A 98 -12.052 6.558 -6.827 1.00 0.00 O ATOM 0 H SER A 98 -13.964 6.386 -4.412 1.00 0.00 H new ATOM 0 HA SER A 98 -12.162 4.399 -5.470 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.018 7.368 -4.931 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.588 6.459 -5.378 1.00 0.00 H new ATOM 0 HG SER A 98 -11.665 7.366 -7.225 1.00 0.00 H new ATOM 1546 N ALA A 99 -11.835 5.598 -2.429 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.176 5.396 -1.150 1.00 0.00 C ATOM 1548 C ALA A 99 -11.518 4.003 -0.619 1.00 0.00 C ATOM 1549 O ALA A 99 -10.626 3.238 -0.254 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.590 6.506 -0.182 1.00 0.00 C ATOM 0 H ALA A 99 -12.580 6.295 -2.420 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.093 5.449 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.096 6.355 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.299 7.473 -0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.671 6.482 -0.041 1.00 0.00 H new ATOM 1556 N GLN A 100 -12.811 3.715 -0.594 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.281 2.426 -0.114 1.00 0.00 C ATOM 1558 C GLN A 100 -12.450 1.297 -0.725 1.00 0.00 C ATOM 1559 O GLN A 100 -12.059 0.362 -0.028 1.00 0.00 O ATOM 1560 CB GLN A 100 -14.769 2.238 -0.418 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.621 3.230 0.378 1.00 0.00 C ATOM 1562 CD GLN A 100 -15.842 2.737 1.809 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -15.246 1.773 2.261 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -16.730 3.451 2.496 1.00 0.00 N ATOM 0 H GLN A 100 -13.548 4.352 -0.898 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.158 2.396 0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.946 2.375 -1.485 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.068 1.219 -0.174 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.131 4.203 0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.583 3.367 -0.116 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.193 4.247 2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.947 3.203 3.461 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.204 1.420 -2.021 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.426 0.421 -2.734 1.00 0.00 C ATOM 1575 C GLN A 101 -10.027 0.305 -2.125 1.00 0.00 C ATOM 1576 O GLN A 101 -9.508 -0.798 -1.961 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.349 0.748 -4.226 1.00 0.00 C ATOM 1578 CG GLN A 101 -12.654 0.380 -4.936 1.00 0.00 C ATOM 1579 CD GLN A 101 -12.392 -0.036 -6.385 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -11.451 -0.749 -6.692 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -13.275 0.447 -7.254 1.00 0.00 N ATOM 0 H GLN A 101 -12.530 2.197 -2.596 1.00 0.00 H new ATOM 0 HA GLN A 101 -11.927 -0.542 -2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.146 1.811 -4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.519 0.205 -4.679 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.145 -0.435 -4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.335 1.230 -4.916 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.040 1.039 -6.929 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.188 0.226 -8.246 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.456 1.458 -1.808 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.128 1.499 -1.222 1.00 0.00 C ATOM 1592 C TRP A 102 -8.165 0.712 0.090 1.00 0.00 C ATOM 1593 O TRP A 102 -7.412 -0.244 0.266 1.00 0.00 O ATOM 1594 CB TRP A 102 -7.653 2.942 -1.040 1.00 0.00 C ATOM 1595 CG TRP A 102 -6.947 3.524 -2.266 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.419 4.425 -3.140 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.615 3.208 -2.722 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.492 4.711 -4.121 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.361 3.948 -3.859 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.657 2.327 -2.191 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.152 3.881 -4.562 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.454 2.272 -2.906 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.182 3.009 -4.052 1.00 0.00 C ATOM 0 H TRP A 102 -9.889 2.371 -1.946 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.399 1.034 -1.886 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.511 3.568 -0.796 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -6.975 2.986 -0.188 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.401 4.871 -3.083 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.615 5.363 -4.896 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -4.834 1.739 -1.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.977 4.470 -5.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.683 1.610 -2.541 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.227 2.910 -4.547 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.050 1.144 0.977 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.195 0.491 2.267 1.00 0.00 C ATOM 1616 C VAL A 103 -9.367 -1.014 2.056 1.00 0.00 C ATOM 1617 O VAL A 103 -8.548 -1.807 2.517 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.352 1.122 3.045 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.620 0.359 4.343 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.082 2.602 3.325 1.00 0.00 C ATOM 0 H VAL A 103 -9.673 1.938 0.828 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.299 0.634 2.870 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.247 1.056 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.447 0.828 4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.878 -0.674 4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.727 0.379 4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.919 3.026 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.170 2.700 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.964 3.135 2.382 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.439 -1.363 1.359 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.729 -2.759 1.081 1.00 0.00 C ATOM 1632 C ASP A 104 -9.440 -3.471 0.668 1.00 0.00 C ATOM 1633 O ASP A 104 -9.063 -4.478 1.266 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.733 -2.896 -0.065 1.00 0.00 C ATOM 1635 CG ASP A 104 -13.102 -3.449 0.336 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -13.950 -2.625 0.741 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -13.269 -4.683 0.230 1.00 0.00 O ATOM 0 H ASP A 104 -11.117 -0.703 0.979 1.00 0.00 H new ATOM 0 HA ASP A 104 -11.150 -3.202 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -11.874 -1.917 -0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.304 -3.547 -0.827 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.798 -2.920 -0.352 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.559 -3.490 -0.853 1.00 0.00 C ATOM 1644 C ARG A 105 -6.551 -3.652 0.287 1.00 0.00 C ATOM 1645 O ARG A 105 -6.201 -4.772 0.657 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.948 -2.608 -1.943 1.00 0.00 C ATOM 1647 CG ARG A 105 -7.213 -3.191 -3.333 1.00 0.00 C ATOM 1648 CD ARG A 105 -6.726 -2.241 -4.428 1.00 0.00 C ATOM 1649 NE ARG A 105 -7.512 -2.449 -5.665 1.00 0.00 N ATOM 1650 CZ ARG A 105 -7.439 -3.550 -6.425 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -6.616 -4.549 -6.080 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -8.190 -3.651 -7.531 1.00 0.00 N ATOM 0 H ARG A 105 -9.113 -2.085 -0.845 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.791 -4.466 -1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.367 -1.604 -1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.874 -2.516 -1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.709 -4.152 -3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.280 -3.377 -3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.824 -1.208 -4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.668 -2.413 -4.626 1.00 0.00 H new ATOM 0 HE ARG A 105 -8.149 -1.708 -5.957 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -6.045 -4.472 -5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.561 -5.387 -6.659 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.816 -2.890 -7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -8.135 -4.489 -8.110 1.00 0.00 H new ATOM 1666 N ILE A 106 -6.112 -2.517 0.812 1.00 0.00 N ATOM 1667 CA ILE A 106 -5.151 -2.519 1.902 1.00 0.00 C ATOM 1668 C ILE A 106 -5.597 -3.522 2.968 1.00 0.00 C ATOM 1669 O ILE A 106 -4.808 -4.355 3.411 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.947 -1.101 2.439 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.195 -0.234 1.427 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -4.252 -1.126 3.802 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.419 1.253 1.705 1.00 0.00 C ATOM 0 H ILE A 106 -6.404 -1.590 0.503 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.173 -2.844 1.547 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.927 -0.647 2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.129 -0.459 1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.530 -0.473 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.119 -0.106 4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.863 -1.684 4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.278 -1.606 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.873 1.847 0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.483 1.480 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.060 1.494 2.706 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.861 -3.409 3.348 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.422 -4.296 4.354 1.00 0.00 C ATOM 1687 C GLN A 107 -7.311 -5.752 3.898 1.00 0.00 C ATOM 1688 O GLN A 107 -7.199 -6.658 4.724 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.875 -3.927 4.662 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.964 -3.043 5.907 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.101 -3.891 7.173 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -9.169 -5.108 7.131 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -9.138 -3.182 8.298 1.00 0.00 N ATOM 0 H GLN A 107 -7.513 -2.717 2.978 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.849 -4.179 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.310 -3.405 3.809 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.460 -4.834 4.813 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.074 -2.418 5.978 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.818 -2.372 5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.076 -2.165 8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.228 -3.656 9.197 1.00 0.00 H new ATOM 1702 N SER A 108 -7.347 -5.933 2.586 1.00 0.00 N ATOM 1703 CA SER A 108 -7.252 -7.264 2.011 1.00 0.00 C ATOM 1704 C SER A 108 -5.785 -7.689 1.914 1.00 0.00 C ATOM 1705 O SER A 108 -5.487 -8.825 1.549 1.00 0.00 O ATOM 1706 CB SER A 108 -7.913 -7.317 0.633 1.00 0.00 C ATOM 1707 OG SER A 108 -9.216 -7.890 0.687 1.00 0.00 O ATOM 0 H SER A 108 -7.441 -5.180 1.905 1.00 0.00 H new ATOM 0 HA SER A 108 -7.782 -7.957 2.664 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.977 -6.309 0.223 1.00 0.00 H new ATOM 0 HB3 SER A 108 -7.289 -7.898 -0.046 1.00 0.00 H new ATOM 0 HG SER A 108 -9.605 -7.904 -0.213 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.908 -6.753 2.246 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.480 -7.015 2.200 1.00 0.00 C ATOM 1715 C CYS A 109 -2.845 -6.441 3.469 1.00 0.00 C ATOM 1716 O CYS A 109 -1.996 -5.554 3.395 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.840 -6.445 0.933 1.00 0.00 C ATOM 1718 SG CYS A 109 -2.939 -7.669 -0.424 1.00 0.00 S ATOM 0 H CYS A 109 -5.159 -5.812 2.548 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.306 -8.090 2.162 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -3.347 -5.525 0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.799 -6.187 1.126 1.00 0.00 H new ATOM 0 HG CYS A 109 -3.897 -8.513 -0.178 1.00 0.00 H new