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 10 TYR OH : rot 80:sc= 0.318 USER MOD Set 1.2: A 101 GLN : amide:sc= 0.295 K(o=0.61,f=-0.019) 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 180:sc= -0.0378 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -3.3! C(o=-5.4!,f=-3.3!) USER MOD Single : A 37 GLN : amide:sc= -2.04! C(o=-2!,f=-2!) 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= 0.0147 USER MOD Single : A 67 THR OG1 : rot -160:sc= 0.00773 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc=-0.00955 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 66:sc= 0.372 USER MOD Single : A 85 THR OG1 : rot 120:sc= -0.753 USER MOD Single : A 89 TYR OH : rot 165:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0527 F(o=-1,f=-0.053) USER MOD Single : A 92 CYS SG : rot -175:sc= -1.1 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=-0.00997 X(o=-0.01,f=-0.063) USER MOD Single : A 107 GLN : amide:sc= -2.14 K(o=-2.1,f=-2.7!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N TYR A 10 -2.738 -2.339 -8.272 1.00 0.00 N ATOM 102 CA TYR A 10 -3.624 -1.195 -8.408 1.00 0.00 C ATOM 103 C TYR A 10 -2.848 0.117 -8.281 1.00 0.00 C ATOM 104 O TYR A 10 -1.679 0.117 -7.897 1.00 0.00 O ATOM 105 CB TYR A 10 -4.623 -1.297 -7.254 1.00 0.00 C ATOM 106 CG TYR A 10 -5.902 -0.485 -7.466 1.00 0.00 C ATOM 107 CD1 TYR A 10 -6.723 -0.758 -8.541 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.236 0.520 -6.581 1.00 0.00 C ATOM 109 CE1 TYR A 10 -7.927 0.007 -8.741 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.440 1.285 -6.780 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.226 0.990 -7.850 1.00 0.00 C ATOM 112 OH TYR A 10 -9.363 1.712 -8.038 1.00 0.00 O ATOM 0 HA TYR A 10 -4.110 -1.199 -9.384 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.889 -2.344 -7.109 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.139 -0.961 -6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.463 -1.546 -9.233 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.594 0.733 -5.739 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.577 -0.195 -9.579 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.712 2.075 -6.095 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.134 1.198 -7.718 1.00 0.00 H new ATOM 122 N GLU A 11 -3.529 1.205 -8.610 1.00 0.00 N ATOM 123 CA GLU A 11 -2.919 2.521 -8.538 1.00 0.00 C ATOM 124 C GLU A 11 -3.982 3.609 -8.699 1.00 0.00 C ATOM 125 O GLU A 11 -4.861 3.501 -9.553 1.00 0.00 O ATOM 126 CB GLU A 11 -1.815 2.672 -9.587 1.00 0.00 C ATOM 127 CG GLU A 11 -2.291 2.184 -10.957 1.00 0.00 C ATOM 128 CD GLU A 11 -1.463 0.987 -11.430 1.00 0.00 C ATOM 129 OE1 GLU A 11 -1.296 0.054 -10.615 1.00 0.00 O ATOM 130 OE2 GLU A 11 -1.015 1.033 -12.596 1.00 0.00 O ATOM 0 H GLU A 11 -4.498 1.201 -8.927 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.459 2.633 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.512 3.717 -9.654 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.936 2.105 -9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.343 1.904 -10.902 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.214 2.994 -11.683 1.00 0.00 H new ATOM 137 N GLY A 12 -3.867 4.633 -7.866 1.00 0.00 N ATOM 138 CA GLY A 12 -4.808 5.740 -7.906 1.00 0.00 C ATOM 139 C GLY A 12 -4.280 6.937 -7.114 1.00 0.00 C ATOM 140 O GLY A 12 -3.315 6.811 -6.361 1.00 0.00 O ATOM 0 H GLY A 12 -3.137 4.719 -7.159 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.986 6.034 -8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.767 5.422 -7.496 1.00 0.00 H new ATOM 144 N ILE A 13 -4.935 8.072 -7.310 1.00 0.00 N ATOM 145 CA ILE A 13 -4.544 9.291 -6.623 1.00 0.00 C ATOM 146 C ILE A 13 -4.813 9.135 -5.125 1.00 0.00 C ATOM 147 O ILE A 13 -5.829 8.566 -4.729 1.00 0.00 O ATOM 148 CB ILE A 13 -5.234 10.504 -7.249 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.601 10.861 -8.595 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.237 11.691 -6.284 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.383 11.768 -8.405 1.00 0.00 C ATOM 0 H ILE A 13 -5.735 8.173 -7.935 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.475 9.468 -6.739 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.275 10.243 -7.442 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.303 9.950 -9.114 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.336 11.361 -9.226 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.733 12.540 -6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.769 11.418 -5.373 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.210 11.962 -6.037 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.952 12.007 -9.377 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.689 12.689 -7.908 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.640 11.256 -7.794 1.00 0.00 H new ATOM 163 N LEU A 14 -3.884 9.651 -4.333 1.00 0.00 N ATOM 164 CA LEU A 14 -4.009 9.577 -2.887 1.00 0.00 C ATOM 165 C LEU A 14 -3.297 10.775 -2.256 1.00 0.00 C ATOM 166 O LEU A 14 -2.090 10.944 -2.423 1.00 0.00 O ATOM 167 CB LEU A 14 -3.508 8.225 -2.375 1.00 0.00 C ATOM 168 CG LEU A 14 -4.581 7.164 -2.122 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.952 5.845 -1.671 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.628 7.670 -1.127 1.00 0.00 C ATOM 0 H LEU A 14 -3.042 10.122 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.057 9.636 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.795 7.827 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.962 8.390 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.098 6.969 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.736 5.108 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.276 5.481 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.394 6.005 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.379 6.897 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.144 7.910 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.108 8.564 -1.526 1.00 0.00 H new ATOM 182 N TYR A 15 -4.075 11.578 -1.544 1.00 0.00 N ATOM 183 CA TYR A 15 -3.534 12.755 -0.887 1.00 0.00 C ATOM 184 C TYR A 15 -2.986 12.408 0.498 1.00 0.00 C ATOM 185 O TYR A 15 -3.360 11.391 1.080 1.00 0.00 O ATOM 186 CB TYR A 15 -4.706 13.726 -0.730 1.00 0.00 C ATOM 187 CG TYR A 15 -5.204 14.320 -2.049 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.861 13.521 -2.961 1.00 0.00 C ATOM 189 CD2 TYR A 15 -4.995 15.656 -2.326 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.329 14.081 -4.203 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.463 16.216 -3.567 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.107 15.400 -4.445 1.00 0.00 C ATOM 193 OH TYR A 15 -6.549 15.929 -5.617 1.00 0.00 O ATOM 0 H TYR A 15 -5.076 11.436 -1.408 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.716 13.177 -1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.531 13.207 -0.243 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.405 14.538 -0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.025 12.476 -2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.480 16.281 -1.612 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.845 13.466 -4.926 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.307 17.260 -3.796 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.321 16.882 -5.652 1.00 0.00 H new ATOM 203 N LYS A 16 -2.108 13.272 0.986 1.00 0.00 N ATOM 204 CA LYS A 16 -1.504 13.068 2.292 1.00 0.00 C ATOM 205 C LYS A 16 -1.485 14.396 3.052 1.00 0.00 C ATOM 206 O LYS A 16 -1.224 15.446 2.468 1.00 0.00 O ATOM 207 CB LYS A 16 -0.125 12.421 2.150 1.00 0.00 C ATOM 208 CG LYS A 16 0.153 11.462 3.309 1.00 0.00 C ATOM 209 CD LYS A 16 1.637 11.095 3.374 1.00 0.00 C ATOM 210 CE LYS A 16 2.221 10.924 1.970 1.00 0.00 C ATOM 211 NZ LYS A 16 3.577 10.336 2.041 1.00 0.00 N ATOM 0 H LYS A 16 -1.800 14.115 0.501 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.098 12.370 2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.068 11.881 1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.642 13.195 2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.153 11.923 4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.444 10.558 3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.185 11.872 3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.763 10.171 3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.571 10.283 1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.263 11.890 1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.959 10.227 1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.199 10.962 2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.528 9.405 2.502 1.00 0.00 H new ATOM 225 N LYS A 17 -1.764 14.305 4.344 1.00 0.00 N ATOM 226 CA LYS A 17 -1.782 15.486 5.190 1.00 0.00 C ATOM 227 C LYS A 17 -0.406 16.153 5.157 1.00 0.00 C ATOM 228 O LYS A 17 0.618 15.472 5.150 1.00 0.00 O ATOM 229 CB LYS A 17 -2.259 15.128 6.599 1.00 0.00 C ATOM 230 CG LYS A 17 -2.764 16.369 7.339 1.00 0.00 C ATOM 231 CD LYS A 17 -3.550 15.978 8.592 1.00 0.00 C ATOM 232 CE LYS A 17 -4.330 17.173 9.145 1.00 0.00 C ATOM 233 NZ LYS A 17 -3.605 17.784 10.281 1.00 0.00 N ATOM 0 H LYS A 17 -1.979 13.432 4.825 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.499 16.215 4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.056 14.386 6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.442 14.674 7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.920 17.000 7.617 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.398 16.959 6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.239 15.167 8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.866 15.602 9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.477 17.914 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.320 16.851 9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.148 18.593 10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.486 17.079 11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.670 18.110 9.962 1.00 0.00 H new ATOM 337 N TRP A 24 -3.310 19.223 2.240 1.00 0.00 N ATOM 338 CA TRP A 24 -3.021 17.861 1.825 1.00 0.00 C ATOM 339 C TRP A 24 -2.610 17.893 0.351 1.00 0.00 C ATOM 340 O TRP A 24 -3.410 18.250 -0.512 1.00 0.00 O ATOM 341 CB TRP A 24 -4.213 16.941 2.093 1.00 0.00 C ATOM 342 CG TRP A 24 -4.697 16.956 3.545 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.904 18.019 4.334 1.00 0.00 C ATOM 344 CD2 TRP A 24 -5.029 15.807 4.352 1.00 0.00 C ATOM 345 NE1 TRP A 24 -5.342 17.640 5.587 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.421 16.253 5.598 1.00 0.00 C ATOM 347 CE3 TRP A 24 -5.000 14.436 4.041 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -5.813 15.393 6.632 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -5.394 13.590 5.084 1.00 0.00 C ATOM 350 CH2 TRP A 24 -5.791 14.023 6.344 1.00 0.00 C ATOM 0 HA TRP A 24 -2.198 17.447 2.407 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -5.038 17.233 1.443 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -3.940 15.921 1.822 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.748 19.043 4.028 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -5.566 18.264 6.362 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.697 14.065 3.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.116 15.767 7.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.389 12.526 4.897 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.081 13.306 7.097 1.00 0.00 H new ATOM 361 N LYS A 25 -1.364 17.514 0.109 1.00 0.00 N ATOM 362 CA LYS A 25 -0.837 17.495 -1.245 1.00 0.00 C ATOM 363 C LYS A 25 -1.238 16.185 -1.925 1.00 0.00 C ATOM 364 O LYS A 25 -1.160 15.117 -1.318 1.00 0.00 O ATOM 365 CB LYS A 25 0.672 17.748 -1.236 1.00 0.00 C ATOM 366 CG LYS A 25 0.979 19.228 -1.004 1.00 0.00 C ATOM 367 CD LYS A 25 2.439 19.427 -0.591 1.00 0.00 C ATOM 368 CE LYS A 25 2.635 20.782 0.093 1.00 0.00 C ATOM 369 NZ LYS A 25 4.053 21.199 0.019 1.00 0.00 N ATOM 0 H LYS A 25 -0.704 17.218 0.828 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.268 18.305 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.140 17.149 -0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.104 17.428 -2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.775 19.792 -1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.321 19.622 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.742 18.627 0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.081 19.363 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.004 21.532 -0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.322 20.719 1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.169 22.120 0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.648 20.491 0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.340 21.279 -0.977 1.00 0.00 H new ATOM 383 N ALA A 26 -1.657 16.308 -3.175 1.00 0.00 N ATOM 384 CA ALA A 26 -2.069 15.146 -3.945 1.00 0.00 C ATOM 385 C ALA A 26 -0.831 14.450 -4.513 1.00 0.00 C ATOM 386 O ALA A 26 0.060 15.104 -5.052 1.00 0.00 O ATOM 387 CB ALA A 26 -3.049 15.579 -5.037 1.00 0.00 C ATOM 0 H ALA A 26 -1.720 17.195 -3.675 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.587 14.428 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.358 14.708 -5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.924 16.040 -4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.564 16.298 -5.697 1.00 0.00 H new ATOM 393 N ARG A 27 -0.816 13.133 -4.374 1.00 0.00 N ATOM 394 CA ARG A 27 0.298 12.341 -4.867 1.00 0.00 C ATOM 395 C ARG A 27 -0.213 11.062 -5.533 1.00 0.00 C ATOM 396 O ARG A 27 -1.350 10.651 -5.304 1.00 0.00 O ATOM 397 CB ARG A 27 1.255 11.970 -3.733 1.00 0.00 C ATOM 398 CG ARG A 27 2.621 12.631 -3.930 1.00 0.00 C ATOM 399 CD ARG A 27 3.448 12.574 -2.644 1.00 0.00 C ATOM 400 NE ARG A 27 3.286 13.832 -1.882 1.00 0.00 N ATOM 401 CZ ARG A 27 3.801 15.010 -2.258 1.00 0.00 C ATOM 402 NH1 ARG A 27 4.515 15.099 -3.389 1.00 0.00 N ATOM 403 NH2 ARG A 27 3.603 16.100 -1.504 1.00 0.00 N ATOM 0 H ARG A 27 -1.558 12.594 -3.927 1.00 0.00 H new ATOM 0 HA ARG A 27 0.836 12.945 -5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.831 12.281 -2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.373 10.887 -3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.159 12.130 -4.735 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.486 13.669 -4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.131 11.727 -2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.500 12.418 -2.885 1.00 0.00 H new ATOM 0 HE ARG A 27 2.748 13.800 -1.016 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.666 14.270 -3.963 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.907 15.996 -3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.060 16.033 -0.643 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.995 16.997 -1.791 1.00 0.00 H new ATOM 417 N TRP A 28 0.651 10.468 -6.343 1.00 0.00 N ATOM 418 CA TRP A 28 0.301 9.244 -7.042 1.00 0.00 C ATOM 419 C TRP A 28 0.804 8.063 -6.210 1.00 0.00 C ATOM 420 O TRP A 28 2.009 7.898 -6.025 1.00 0.00 O ATOM 421 CB TRP A 28 0.855 9.250 -8.468 1.00 0.00 C ATOM 422 CG TRP A 28 0.494 8.005 -9.282 1.00 0.00 C ATOM 423 CD1 TRP A 28 1.292 6.987 -9.630 1.00 0.00 C ATOM 424 CD2 TRP A 28 -0.799 7.687 -9.838 1.00 0.00 C ATOM 425 NE1 TRP A 28 0.611 6.039 -10.367 1.00 0.00 N ATOM 426 CE2 TRP A 28 -0.701 6.478 -10.497 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.012 8.396 -9.785 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -1.779 5.874 -11.154 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.080 7.778 -10.447 1.00 0.00 C ATOM 430 CH2 TRP A 28 -2.998 6.562 -11.115 1.00 0.00 C ATOM 0 H TRP A 28 1.593 10.812 -6.531 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.780 9.157 -7.150 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.482 10.132 -8.988 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.940 9.341 -8.425 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.337 6.917 -9.367 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.999 5.175 -10.746 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.112 9.342 -9.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.676 4.928 -11.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.035 8.282 -10.438 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.870 6.150 -11.601 1.00 0.00 H new ATOM 441 N PHE A 29 -0.144 7.270 -5.732 1.00 0.00 N ATOM 442 CA PHE A 29 0.189 6.109 -4.924 1.00 0.00 C ATOM 443 C PHE A 29 0.134 4.827 -5.757 1.00 0.00 C ATOM 444 O PHE A 29 -0.375 4.832 -6.877 1.00 0.00 O ATOM 445 CB PHE A 29 -0.857 6.025 -3.810 1.00 0.00 C ATOM 446 CG PHE A 29 -0.573 6.941 -2.618 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.016 8.150 -2.816 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.910 6.545 -1.361 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.280 9.001 -1.709 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.646 7.396 -0.255 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.057 8.605 -0.452 1.00 0.00 C ATOM 0 H PHE A 29 -1.142 7.409 -5.889 1.00 0.00 H new ATOM 0 HA PHE A 29 1.199 6.209 -4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.834 6.276 -4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.915 4.995 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.283 8.464 -3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.378 5.584 -1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.748 9.962 -1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.913 7.082 0.743 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.144 9.251 0.390 1.00 0.00 H new ATOM 461 N VAL A 30 0.666 3.760 -5.179 1.00 0.00 N ATOM 462 CA VAL A 30 0.684 2.474 -5.854 1.00 0.00 C ATOM 463 C VAL A 30 0.398 1.366 -4.839 1.00 0.00 C ATOM 464 O VAL A 30 1.175 1.156 -3.908 1.00 0.00 O ATOM 465 CB VAL A 30 2.014 2.286 -6.586 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.301 0.803 -6.830 1.00 0.00 C ATOM 467 CG2 VAL A 30 2.034 3.072 -7.899 1.00 0.00 C ATOM 0 H VAL A 30 1.088 3.760 -4.250 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.098 2.430 -6.612 1.00 0.00 H new ATOM 0 HB VAL A 30 2.805 2.680 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.252 0.698 -7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.351 0.280 -5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.504 0.373 -7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.991 2.921 -8.399 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.228 2.723 -8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.898 4.133 -7.690 1.00 0.00 H new ATOM 477 N LEU A 31 -0.718 0.685 -5.052 1.00 0.00 N ATOM 478 CA LEU A 31 -1.116 -0.396 -4.167 1.00 0.00 C ATOM 479 C LEU A 31 -0.634 -1.728 -4.747 1.00 0.00 C ATOM 480 O LEU A 31 -1.387 -2.419 -5.431 1.00 0.00 O ATOM 481 CB LEU A 31 -2.623 -0.349 -3.906 1.00 0.00 C ATOM 482 CG LEU A 31 -3.066 -0.654 -2.473 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.110 -2.162 -2.223 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.178 0.070 -1.459 1.00 0.00 C ATOM 0 H LEU A 31 -1.360 0.861 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.643 -0.282 -3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.987 0.643 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.110 -1.059 -4.575 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.080 -0.276 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.428 -2.352 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.816 -2.625 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.118 -2.586 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.514 -0.164 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.145 -0.256 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.241 1.146 -1.623 1.00 0.00 H new ATOM 496 N ASP A 32 0.618 -2.047 -4.452 1.00 0.00 N ATOM 497 CA ASP A 32 1.209 -3.283 -4.935 1.00 0.00 C ATOM 498 C ASP A 32 0.706 -4.451 -4.085 1.00 0.00 C ATOM 499 O ASP A 32 0.732 -4.385 -2.857 1.00 0.00 O ATOM 500 CB ASP A 32 2.734 -3.242 -4.828 1.00 0.00 C ATOM 501 CG ASP A 32 3.412 -2.147 -5.654 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.430 -2.301 -6.895 1.00 0.00 O ATOM 503 OD2 ASP A 32 3.896 -1.180 -5.027 1.00 0.00 O ATOM 0 H ASP A 32 1.239 -1.471 -3.884 1.00 0.00 H new ATOM 0 HA ASP A 32 0.924 -3.407 -5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.006 -3.107 -3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.131 -4.208 -5.139 1.00 0.00 H new ATOM 508 N LYS A 33 0.259 -5.492 -4.771 1.00 0.00 N ATOM 509 CA LYS A 33 -0.249 -6.673 -4.094 1.00 0.00 C ATOM 510 C LYS A 33 0.815 -7.772 -4.127 1.00 0.00 C ATOM 511 O LYS A 33 0.885 -8.600 -3.220 1.00 0.00 O ATOM 512 CB LYS A 33 -1.591 -7.098 -4.693 1.00 0.00 C ATOM 513 CG LYS A 33 -1.524 -7.131 -6.221 1.00 0.00 C ATOM 514 CD LYS A 33 -2.702 -7.914 -6.805 1.00 0.00 C ATOM 515 CE LYS A 33 -2.388 -9.410 -6.869 1.00 0.00 C ATOM 516 NZ LYS A 33 -2.477 -9.899 -8.263 1.00 0.00 N ATOM 0 H LYS A 33 0.238 -5.542 -5.790 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.449 -6.454 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.866 -8.083 -4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.371 -6.406 -4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.530 -6.113 -6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.586 -7.588 -6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.590 -7.751 -6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.930 -7.543 -7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.388 -9.595 -6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.086 -9.961 -6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.261 -10.916 -8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.439 -9.740 -8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.794 -9.385 -8.855 1.00 0.00 H new ATOM 530 N THR A 34 1.616 -7.744 -5.182 1.00 0.00 N ATOM 531 CA THR A 34 2.673 -8.728 -5.344 1.00 0.00 C ATOM 532 C THR A 34 3.806 -8.463 -4.350 1.00 0.00 C ATOM 533 O THR A 34 4.413 -9.399 -3.832 1.00 0.00 O ATOM 534 CB THR A 34 3.127 -8.697 -6.805 1.00 0.00 C ATOM 535 OG1 THR A 34 3.712 -7.406 -6.960 1.00 0.00 O ATOM 536 CG2 THR A 34 1.951 -8.692 -7.784 1.00 0.00 C ATOM 0 H THR A 34 1.554 -7.056 -5.933 1.00 0.00 H new ATOM 0 HA THR A 34 2.315 -9.733 -5.120 1.00 0.00 H new ATOM 0 HB THR A 34 3.763 -9.559 -7.005 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.035 -7.301 -7.879 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.329 -8.670 -8.806 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.352 -9.591 -7.638 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.333 -7.812 -7.606 1.00 0.00 H new ATOM 544 N LYS A 35 4.056 -7.183 -4.115 1.00 0.00 N ATOM 545 CA LYS A 35 5.105 -6.784 -3.192 1.00 0.00 C ATOM 546 C LYS A 35 4.472 -6.295 -1.888 1.00 0.00 C ATOM 547 O LYS A 35 5.175 -6.025 -0.916 1.00 0.00 O ATOM 548 CB LYS A 35 6.033 -5.759 -3.848 1.00 0.00 C ATOM 549 CG LYS A 35 7.079 -6.449 -4.726 1.00 0.00 C ATOM 550 CD LYS A 35 8.478 -6.310 -4.124 1.00 0.00 C ATOM 551 CE LYS A 35 9.540 -6.881 -5.067 1.00 0.00 C ATOM 552 NZ LYS A 35 10.836 -6.197 -4.862 1.00 0.00 N ATOM 0 H LYS A 35 3.551 -6.410 -4.547 1.00 0.00 H new ATOM 0 HA LYS A 35 5.736 -7.636 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.447 -5.066 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.531 -5.169 -3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.829 -7.504 -4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.064 -6.014 -5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.690 -5.259 -3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.519 -6.830 -3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.655 -7.950 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.218 -6.761 -6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.545 -6.596 -5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.726 -5.181 -5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.149 -6.333 -3.879 1.00 0.00 H new ATOM 566 N HIS A 36 3.151 -6.195 -1.909 1.00 0.00 N ATOM 567 CA HIS A 36 2.416 -5.743 -0.741 1.00 0.00 C ATOM 568 C HIS A 36 3.108 -4.518 -0.141 1.00 0.00 C ATOM 569 O HIS A 36 3.654 -4.586 0.959 1.00 0.00 O ATOM 570 CB HIS A 36 2.245 -6.881 0.268 1.00 0.00 C ATOM 571 CG HIS A 36 3.519 -7.636 0.562 1.00 0.00 C ATOM 572 ND1 HIS A 36 4.641 -7.262 1.242 1.00 0.00 N flip ATOM 573 CD2 HIS A 36 3.736 -8.936 0.138 1.00 0.00 C flip ATOM 574 CE1 HIS A 36 5.495 -8.277 1.235 1.00 0.00 C flip ATOM 575 NE2 HIS A 36 4.936 -9.316 0.550 1.00 0.00 N flip ATOM 0 H HIS A 36 2.571 -6.420 -2.717 1.00 0.00 H new ATOM 0 HA HIS A 36 1.410 -5.442 -1.035 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.854 -6.472 1.199 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.499 -7.580 -0.111 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.797 -6.355 1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.044 -9.538 -0.432 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.472 -8.280 1.696 1.00 0.00 H new ATOM 583 N GLN A 37 3.063 -3.426 -0.890 1.00 0.00 N ATOM 584 CA GLN A 37 3.679 -2.188 -0.446 1.00 0.00 C ATOM 585 C GLN A 37 2.956 -0.986 -1.057 1.00 0.00 C ATOM 586 O GLN A 37 2.333 -1.102 -2.112 1.00 0.00 O ATOM 587 CB GLN A 37 5.170 -2.163 -0.789 1.00 0.00 C ATOM 588 CG GLN A 37 5.450 -2.948 -2.072 1.00 0.00 C ATOM 589 CD GLN A 37 6.938 -2.902 -2.429 1.00 0.00 C ATOM 590 OE1 GLN A 37 7.340 -2.386 -3.458 1.00 0.00 O ATOM 591 NE2 GLN A 37 7.729 -3.471 -1.523 1.00 0.00 N ATOM 0 H GLN A 37 2.609 -3.373 -1.802 1.00 0.00 H new ATOM 0 HA GLN A 37 3.588 -2.129 0.639 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.502 -1.132 -0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.744 -2.588 0.035 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.135 -3.984 -1.945 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.863 -2.534 -2.892 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.326 -3.885 -0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.738 -3.493 -1.669 1.00 0.00 H new ATOM 600 N LEU A 38 3.063 0.142 -0.370 1.00 0.00 N ATOM 601 CA LEU A 38 2.428 1.364 -0.832 1.00 0.00 C ATOM 602 C LEU A 38 3.499 2.331 -1.338 1.00 0.00 C ATOM 603 O LEU A 38 4.147 3.015 -0.546 1.00 0.00 O ATOM 604 CB LEU A 38 1.536 1.951 0.264 1.00 0.00 C ATOM 605 CG LEU A 38 0.443 2.913 -0.205 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.804 2.797 0.674 1.00 0.00 C ATOM 607 CD2 LEU A 38 0.966 4.349 -0.271 1.00 0.00 C ATOM 0 H LEU A 38 3.581 0.235 0.504 1.00 0.00 H new ATOM 0 HA LEU A 38 1.766 1.155 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.063 1.128 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.170 2.474 0.980 1.00 0.00 H new ATOM 0 HG LEU A 38 0.152 2.630 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.565 3.492 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.190 1.779 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.546 3.038 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.168 5.012 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.303 4.659 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.800 4.401 -0.971 1.00 0.00 H new ATOM 619 N ARG A 39 3.653 2.358 -2.654 1.00 0.00 N ATOM 620 CA ARG A 39 4.635 3.231 -3.274 1.00 0.00 C ATOM 621 C ARG A 39 3.957 4.487 -3.825 1.00 0.00 C ATOM 622 O ARG A 39 2.989 4.395 -4.578 1.00 0.00 O ATOM 623 CB ARG A 39 5.367 2.515 -4.412 1.00 0.00 C ATOM 624 CG ARG A 39 5.887 1.150 -3.956 1.00 0.00 C ATOM 625 CD ARG A 39 7.139 0.751 -4.739 1.00 0.00 C ATOM 626 NE ARG A 39 6.761 -0.040 -5.931 1.00 0.00 N ATOM 627 CZ ARG A 39 7.598 -0.852 -6.590 1.00 0.00 C ATOM 628 NH1 ARG A 39 8.866 -0.985 -6.178 1.00 0.00 N ATOM 629 NH2 ARG A 39 7.167 -1.532 -7.662 1.00 0.00 N ATOM 0 H ARG A 39 3.114 1.790 -3.308 1.00 0.00 H new ATOM 0 HA ARG A 39 5.359 3.511 -2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.693 2.387 -5.259 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.199 3.129 -4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.115 1.181 -2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.112 0.397 -4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.687 1.643 -5.043 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.806 0.169 -4.103 1.00 0.00 H new ATOM 0 HE ARG A 39 5.803 0.038 -6.272 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.194 -0.468 -5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.503 -1.603 -6.680 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.202 -1.431 -7.976 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.804 -2.150 -8.164 1.00 0.00 H new ATOM 643 N TYR A 40 4.491 5.632 -3.427 1.00 0.00 N ATOM 644 CA TYR A 40 3.950 6.905 -3.870 1.00 0.00 C ATOM 645 C TYR A 40 5.022 7.745 -4.567 1.00 0.00 C ATOM 646 O TYR A 40 6.171 7.780 -4.127 1.00 0.00 O ATOM 647 CB TYR A 40 3.491 7.633 -2.605 1.00 0.00 C ATOM 648 CG TYR A 40 4.634 8.036 -1.671 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.182 7.107 -0.809 1.00 0.00 C ATOM 650 CD2 TYR A 40 5.117 9.329 -1.690 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.257 7.487 0.070 1.00 0.00 C ATOM 652 CE2 TYR A 40 6.193 9.709 -0.811 1.00 0.00 C ATOM 653 CZ TYR A 40 6.710 8.769 0.026 1.00 0.00 C ATOM 654 OH TYR A 40 7.725 9.127 0.856 1.00 0.00 O ATOM 0 H TYR A 40 5.294 5.705 -2.802 1.00 0.00 H new ATOM 0 HA TYR A 40 3.138 6.749 -4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.938 8.527 -2.893 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.799 6.992 -2.060 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.804 6.095 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.688 10.056 -2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.694 6.770 0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.581 10.717 -0.816 1.00 0.00 H new ATOM 0 HH TYR A 40 7.945 10.071 0.715 1.00 0.00 H new ATOM 664 N TYR A 41 4.610 8.400 -5.642 1.00 0.00 N ATOM 665 CA TYR A 41 5.522 9.237 -6.404 1.00 0.00 C ATOM 666 C TYR A 41 4.950 10.645 -6.587 1.00 0.00 C ATOM 667 O TYR A 41 3.746 10.853 -6.447 1.00 0.00 O ATOM 668 CB TYR A 41 5.658 8.573 -7.775 1.00 0.00 C ATOM 669 CG TYR A 41 5.998 7.082 -7.714 1.00 0.00 C ATOM 670 CD1 TYR A 41 5.016 6.162 -7.406 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.286 6.658 -7.967 1.00 0.00 C ATOM 672 CE1 TYR A 41 5.336 4.760 -7.348 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.607 5.255 -7.909 1.00 0.00 C ATOM 674 CZ TYR A 41 6.616 4.375 -7.603 1.00 0.00 C ATOM 675 OH TYR A 41 6.918 3.050 -7.548 1.00 0.00 O ATOM 0 H TYR A 41 3.657 8.368 -6.004 1.00 0.00 H new ATOM 0 HA TYR A 41 6.478 9.331 -5.889 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.724 8.700 -8.323 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.433 9.089 -8.342 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.008 6.494 -7.209 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.054 7.378 -8.209 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.577 4.030 -7.108 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.612 4.910 -8.104 1.00 0.00 H new ATOM 0 HH TYR A 41 7.868 2.922 -7.753 1.00 0.00 H new ATOM 836 N VAL A 52 8.888 3.684 0.584 1.00 0.00 N ATOM 837 CA VAL A 52 7.973 2.562 0.461 1.00 0.00 C ATOM 838 C VAL A 52 7.302 2.306 1.812 1.00 0.00 C ATOM 839 O VAL A 52 7.895 2.555 2.861 1.00 0.00 O ATOM 840 CB VAL A 52 8.715 1.338 -0.080 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.001 0.045 0.316 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.887 1.428 -1.597 1.00 0.00 C ATOM 0 HA VAL A 52 7.184 2.790 -0.256 1.00 0.00 H new ATOM 0 HB VAL A 52 9.708 1.322 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.549 -0.810 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.955 -0.027 1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.990 0.048 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.417 0.546 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.907 1.481 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.459 2.322 -1.846 1.00 0.00 H new ATOM 852 N ILE A 53 6.075 1.811 1.743 1.00 0.00 N ATOM 853 CA ILE A 53 5.317 1.519 2.948 1.00 0.00 C ATOM 854 C ILE A 53 4.902 0.046 2.939 1.00 0.00 C ATOM 855 O ILE A 53 3.992 -0.341 2.207 1.00 0.00 O ATOM 856 CB ILE A 53 4.142 2.488 3.090 1.00 0.00 C ATOM 857 CG1 ILE A 53 4.459 3.834 2.435 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.736 2.646 4.557 1.00 0.00 C ATOM 859 CD1 ILE A 53 3.218 4.728 2.391 1.00 0.00 C ATOM 0 H ILE A 53 5.587 1.605 0.871 1.00 0.00 H new ATOM 0 HA ILE A 53 5.934 1.672 3.833 1.00 0.00 H new ATOM 0 HB ILE A 53 3.286 2.067 2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.253 4.334 2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.831 3.672 1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.899 3.340 4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.440 1.677 4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.579 3.034 5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.471 5.678 1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.435 4.235 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.863 4.908 3.406 1.00 0.00 H new ATOM 871 N ASP A 54 5.589 -0.734 3.760 1.00 0.00 N ATOM 872 CA ASP A 54 5.303 -2.156 3.855 1.00 0.00 C ATOM 873 C ASP A 54 3.871 -2.351 4.357 1.00 0.00 C ATOM 874 O ASP A 54 3.595 -2.170 5.542 1.00 0.00 O ATOM 875 CB ASP A 54 6.248 -2.842 4.843 1.00 0.00 C ATOM 876 CG ASP A 54 6.118 -4.365 4.910 1.00 0.00 C ATOM 877 OD1 ASP A 54 5.110 -4.873 4.373 1.00 0.00 O ATOM 878 OD2 ASP A 54 7.031 -4.988 5.496 1.00 0.00 O ATOM 0 H ASP A 54 6.343 -0.409 4.365 1.00 0.00 H new ATOM 0 HA ASP A 54 5.435 -2.594 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.274 -2.591 4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.069 -2.433 5.837 1.00 0.00 H new ATOM 883 N LEU A 55 2.998 -2.717 3.431 1.00 0.00 N ATOM 884 CA LEU A 55 1.601 -2.938 3.765 1.00 0.00 C ATOM 885 C LEU A 55 1.496 -4.096 4.759 1.00 0.00 C ATOM 886 O LEU A 55 0.508 -4.211 5.482 1.00 0.00 O ATOM 887 CB LEU A 55 0.772 -3.142 2.495 1.00 0.00 C ATOM 888 CG LEU A 55 0.595 -1.909 1.605 1.00 0.00 C ATOM 889 CD1 LEU A 55 0.225 -2.313 0.176 1.00 0.00 C ATOM 890 CD2 LEU A 55 -0.422 -0.939 2.208 1.00 0.00 C ATOM 0 H LEU A 55 3.231 -2.866 2.449 1.00 0.00 H new ATOM 0 HA LEU A 55 1.183 -2.058 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.238 -3.929 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.215 -3.503 2.783 1.00 0.00 H new ATOM 0 HG LEU A 55 1.549 -1.384 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.105 -1.419 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.016 -2.935 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.710 -2.873 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.529 -0.072 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.386 -1.438 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.077 -0.614 3.190 1.00 0.00 H new ATOM 902 N ALA A 56 2.529 -4.926 4.763 1.00 0.00 N ATOM 903 CA ALA A 56 2.565 -6.071 5.657 1.00 0.00 C ATOM 904 C ALA A 56 2.813 -5.588 7.088 1.00 0.00 C ATOM 905 O ALA A 56 2.770 -6.378 8.029 1.00 0.00 O ATOM 906 CB ALA A 56 3.634 -7.057 5.181 1.00 0.00 C ATOM 0 H ALA A 56 3.347 -4.828 4.162 1.00 0.00 H new ATOM 0 HA ALA A 56 1.610 -6.596 5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.661 -7.916 5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.396 -7.392 4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.607 -6.566 5.181 1.00 0.00 H new ATOM 912 N GLU A 57 3.068 -4.293 7.205 1.00 0.00 N ATOM 913 CA GLU A 57 3.322 -3.696 8.505 1.00 0.00 C ATOM 914 C GLU A 57 2.079 -2.957 9.002 1.00 0.00 C ATOM 915 O GLU A 57 2.004 -2.575 10.169 1.00 0.00 O ATOM 916 CB GLU A 57 4.532 -2.760 8.451 1.00 0.00 C ATOM 917 CG GLU A 57 5.840 -3.554 8.456 1.00 0.00 C ATOM 918 CD GLU A 57 7.005 -2.688 8.939 1.00 0.00 C ATOM 919 OE1 GLU A 57 6.950 -1.466 8.679 1.00 0.00 O ATOM 920 OE2 GLU A 57 7.923 -3.267 9.558 1.00 0.00 O ATOM 0 H GLU A 57 3.104 -3.641 6.421 1.00 0.00 H new ATOM 0 HA GLU A 57 3.552 -4.494 9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.480 -2.144 7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.510 -2.082 9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.738 -4.426 9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.049 -3.924 7.452 1.00 0.00 H new ATOM 927 N VAL A 58 1.133 -2.777 8.092 1.00 0.00 N ATOM 928 CA VAL A 58 -0.104 -2.090 8.424 1.00 0.00 C ATOM 929 C VAL A 58 -0.881 -2.915 9.451 1.00 0.00 C ATOM 930 O VAL A 58 -1.190 -4.082 9.210 1.00 0.00 O ATOM 931 CB VAL A 58 -0.905 -1.811 7.150 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.325 -1.349 7.486 1.00 0.00 C ATOM 933 CG2 VAL A 58 -0.190 -0.788 6.266 1.00 0.00 C ATOM 0 H VAL A 58 1.198 -3.095 7.125 1.00 0.00 H new ATOM 0 HA VAL A 58 0.106 -1.122 8.878 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.980 -2.743 6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.873 -1.157 6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.835 -2.125 8.056 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.280 -0.435 8.078 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.780 -0.608 5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.070 0.146 6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.791 -1.172 5.985 1.00 0.00 H new ATOM 943 N GLU A 59 -1.176 -2.278 10.574 1.00 0.00 N ATOM 944 CA GLU A 59 -1.912 -2.939 11.639 1.00 0.00 C ATOM 945 C GLU A 59 -3.413 -2.907 11.346 1.00 0.00 C ATOM 946 O GLU A 59 -4.149 -3.803 11.757 1.00 0.00 O ATOM 947 CB GLU A 59 -1.604 -2.302 12.995 1.00 0.00 C ATOM 948 CG GLU A 59 -0.191 -2.658 13.461 1.00 0.00 C ATOM 949 CD GLU A 59 0.091 -2.081 14.850 1.00 0.00 C ATOM 950 OE1 GLU A 59 -0.665 -2.442 15.778 1.00 0.00 O ATOM 951 OE2 GLU A 59 1.055 -1.293 14.952 1.00 0.00 O ATOM 0 H GLU A 59 -0.919 -1.311 10.770 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.593 -3.980 11.683 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.705 -1.219 12.923 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.330 -2.641 13.733 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.074 -3.741 13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.538 -2.273 12.749 1.00 0.00 H new ATOM 958 N ALA A 60 -3.823 -1.866 10.637 1.00 0.00 N ATOM 959 CA ALA A 60 -5.223 -1.706 10.284 1.00 0.00 C ATOM 960 C ALA A 60 -5.473 -0.260 9.848 1.00 0.00 C ATOM 961 O ALA A 60 -4.663 0.623 10.124 1.00 0.00 O ATOM 962 CB ALA A 60 -6.099 -2.117 11.469 1.00 0.00 C ATOM 0 H ALA A 60 -3.210 -1.125 10.297 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.483 -2.353 9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.149 -1.997 11.204 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.905 -3.160 11.720 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.867 -1.488 12.328 1.00 0.00 H new ATOM 968 N VAL A 61 -6.597 -0.064 9.175 1.00 0.00 N ATOM 969 CA VAL A 61 -6.963 1.259 8.698 1.00 0.00 C ATOM 970 C VAL A 61 -8.384 1.588 9.162 1.00 0.00 C ATOM 971 O VAL A 61 -9.180 0.687 9.421 1.00 0.00 O ATOM 972 CB VAL A 61 -6.799 1.332 7.179 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.975 -0.048 6.541 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.770 2.345 6.571 1.00 0.00 C ATOM 0 H VAL A 61 -7.267 -0.799 8.949 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.299 2.014 9.120 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.785 1.671 6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.853 0.032 5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.226 -0.732 6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.971 -0.429 6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.633 2.377 5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.794 2.049 6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.576 3.332 6.991 1.00 0.00 H new ATOM 984 N ALA A 62 -8.657 2.881 9.253 1.00 0.00 N ATOM 985 CA ALA A 62 -9.968 3.340 9.681 1.00 0.00 C ATOM 986 C ALA A 62 -10.357 4.581 8.875 1.00 0.00 C ATOM 987 O ALA A 62 -9.506 5.410 8.555 1.00 0.00 O ATOM 988 CB ALA A 62 -9.948 3.606 11.188 1.00 0.00 C ATOM 0 H ALA A 62 -7.993 3.625 9.038 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.723 2.576 9.494 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.931 3.950 11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.695 2.687 11.716 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.204 4.371 11.413 1.00 0.00 H new ATOM 994 N PRO A 63 -11.677 4.672 8.562 1.00 0.00 N ATOM 995 CA PRO A 63 -12.190 5.798 7.799 1.00 0.00 C ATOM 996 C PRO A 63 -12.273 7.055 8.667 1.00 0.00 C ATOM 997 O PRO A 63 -13.190 7.197 9.475 1.00 0.00 O ATOM 998 CB PRO A 63 -13.545 5.340 7.285 1.00 0.00 C ATOM 999 CG PRO A 63 -13.945 4.161 8.157 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.713 3.710 8.924 1.00 0.00 C ATOM 0 HA PRO A 63 -11.539 6.077 6.971 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.280 6.142 7.352 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.487 5.048 6.236 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.740 4.448 8.846 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.332 3.347 7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.894 3.709 9.999 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.425 2.696 8.649 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.303 7.937 8.470 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.256 9.178 9.225 1.00 0.00 C ATOM 1010 C GLY A 64 -12.185 10.227 8.613 1.00 0.00 C ATOM 1011 O GLY A 64 -12.948 9.927 7.695 1.00 0.00 O ATOM 0 H GLY A 64 -10.544 7.817 7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.545 8.990 10.259 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.235 9.558 9.244 1.00 0.00 H new ATOM 1015 N THR A 65 -12.092 11.437 9.146 1.00 0.00 N ATOM 1016 CA THR A 65 -12.916 12.532 8.664 1.00 0.00 C ATOM 1017 C THR A 65 -12.039 13.639 8.074 1.00 0.00 C ATOM 1018 O THR A 65 -10.842 13.700 8.349 1.00 0.00 O ATOM 1019 CB THR A 65 -13.796 13.007 9.821 1.00 0.00 C ATOM 1020 OG1 THR A 65 -12.967 12.860 10.971 1.00 0.00 O ATOM 1021 CG2 THR A 65 -14.972 12.065 10.087 1.00 0.00 C ATOM 0 H THR A 65 -11.459 11.683 9.907 1.00 0.00 H new ATOM 0 HA THR A 65 -13.568 12.209 7.853 1.00 0.00 H new ATOM 0 HB THR A 65 -14.173 14.006 9.603 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.459 13.148 11.768 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.565 12.448 10.918 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.596 12.001 9.195 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.595 11.074 10.338 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.686 14.509 7.253 1.00 0.00 N ATOM 1030 CA PRO A 66 -11.978 15.610 6.622 1.00 0.00 C ATOM 1031 C PRO A 66 -11.687 16.724 7.629 1.00 0.00 C ATOM 1032 O PRO A 66 -12.600 17.234 8.277 1.00 0.00 O ATOM 1033 CB PRO A 66 -12.882 16.058 5.485 1.00 0.00 C ATOM 1034 CG PRO A 66 -14.262 15.506 5.806 1.00 0.00 C ATOM 1035 CD PRO A 66 -14.103 14.467 6.905 1.00 0.00 C ATOM 0 HA PRO A 66 -10.998 15.318 6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.904 17.145 5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.523 15.679 4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.928 16.306 6.130 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.710 15.058 4.919 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.729 14.702 7.766 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.396 13.476 6.558 1.00 0.00 H new ATOM 1043 N THR A 67 -10.412 17.068 7.730 1.00 0.00 N ATOM 1044 CA THR A 67 -9.989 18.112 8.648 1.00 0.00 C ATOM 1045 C THR A 67 -9.492 19.334 7.873 1.00 0.00 C ATOM 1046 O THR A 67 -9.562 19.366 6.645 1.00 0.00 O ATOM 1047 CB THR A 67 -8.937 17.519 9.587 1.00 0.00 C ATOM 1048 OG1 THR A 67 -7.981 16.930 8.710 1.00 0.00 O ATOM 1049 CG2 THR A 67 -9.476 16.339 10.398 1.00 0.00 C ATOM 0 H THR A 67 -9.658 16.642 7.191 1.00 0.00 H new ATOM 0 HA THR A 67 -10.823 18.467 9.254 1.00 0.00 H new ATOM 0 HB THR A 67 -8.579 18.293 10.266 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.452 16.267 9.201 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.690 15.955 11.048 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.319 16.669 11.004 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.803 15.551 9.720 1.00 0.00 H new ATOM 1057 N ILE A 68 -9.000 20.310 8.622 1.00 0.00 N ATOM 1058 CA ILE A 68 -8.491 21.531 8.021 1.00 0.00 C ATOM 1059 C ILE A 68 -7.280 21.198 7.148 1.00 0.00 C ATOM 1060 O ILE A 68 -6.411 20.428 7.554 1.00 0.00 O ATOM 1061 CB ILE A 68 -8.204 22.579 9.098 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -9.504 23.165 9.654 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -7.266 23.666 8.569 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -9.488 23.180 11.184 1.00 0.00 C ATOM 0 H ILE A 68 -8.943 20.280 9.640 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.242 21.976 7.368 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.693 22.087 9.925 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.640 24.179 9.278 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.352 22.578 9.301 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.078 24.398 9.354 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.323 23.214 8.261 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.728 24.161 7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.423 23.601 11.554 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.376 22.162 11.557 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.653 23.788 11.533 1.00 0.00 H new ATOM 1076 N GLY A 69 -7.260 21.795 5.965 1.00 0.00 N ATOM 1077 CA GLY A 69 -6.169 21.572 5.032 1.00 0.00 C ATOM 1078 C GLY A 69 -6.582 20.593 3.931 1.00 0.00 C ATOM 1079 O GLY A 69 -6.239 20.784 2.765 1.00 0.00 O ATOM 0 H GLY A 69 -7.982 22.433 5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.867 22.520 4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.303 21.181 5.566 1.00 0.00 H new ATOM 1083 N ALA A 70 -7.313 19.566 4.339 1.00 0.00 N ATOM 1084 CA ALA A 70 -7.776 18.558 3.401 1.00 0.00 C ATOM 1085 C ALA A 70 -8.286 19.243 2.132 1.00 0.00 C ATOM 1086 O ALA A 70 -8.592 20.434 2.146 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.849 17.694 4.069 1.00 0.00 C ATOM 0 H ALA A 70 -7.596 19.410 5.307 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.958 17.898 3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.197 16.937 3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.428 17.206 4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.687 18.323 4.370 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.363 18.441 1.037 1.00 0.00 N ATOM 1094 CA PRO A 71 -8.831 18.957 -0.238 1.00 0.00 C ATOM 1095 C PRO A 71 -10.348 19.149 -0.229 1.00 0.00 C ATOM 1096 O PRO A 71 -11.084 18.283 0.241 1.00 0.00 O ATOM 1097 CB PRO A 71 -8.367 17.941 -1.269 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.066 16.668 -0.493 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.009 17.025 0.983 1.00 0.00 C ATOM 0 HA PRO A 71 -8.430 19.945 -0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.137 17.767 -2.021 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.481 18.296 -1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.836 15.919 -0.675 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.119 16.237 -0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.706 16.420 1.564 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.015 16.850 1.395 1.00 0.00 H new ATOM 1107 N LYS A 72 -10.772 20.290 -0.754 1.00 0.00 N ATOM 1108 CA LYS A 72 -12.189 20.606 -0.812 1.00 0.00 C ATOM 1109 C LYS A 72 -12.808 19.932 -2.038 1.00 0.00 C ATOM 1110 O LYS A 72 -13.252 20.607 -2.965 1.00 0.00 O ATOM 1111 CB LYS A 72 -12.401 22.121 -0.771 1.00 0.00 C ATOM 1112 CG LYS A 72 -12.658 22.600 0.659 1.00 0.00 C ATOM 1113 CD LYS A 72 -13.822 23.591 0.705 1.00 0.00 C ATOM 1114 CE LYS A 72 -14.571 23.496 2.036 1.00 0.00 C ATOM 1115 NZ LYS A 72 -14.484 24.777 2.772 1.00 0.00 N ATOM 0 H LYS A 72 -10.159 21.006 -1.143 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.704 20.210 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.523 22.626 -1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.245 22.391 -1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.878 21.745 1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.759 23.071 1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.447 24.605 0.566 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.508 23.390 -0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.616 23.244 1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.150 22.693 2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.997 24.695 3.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.486 25.002 2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.907 25.535 2.200 1.00 0.00 H new ATOM 1129 N THR A 73 -12.818 18.607 -2.003 1.00 0.00 N ATOM 1130 CA THR A 73 -13.375 17.834 -3.099 1.00 0.00 C ATOM 1131 C THR A 73 -13.921 16.499 -2.587 1.00 0.00 C ATOM 1132 O THR A 73 -15.112 16.220 -2.718 1.00 0.00 O ATOM 1133 CB THR A 73 -12.290 17.677 -4.166 1.00 0.00 C ATOM 1134 OG1 THR A 73 -11.170 17.164 -3.450 1.00 0.00 O ATOM 1135 CG2 THR A 73 -11.802 19.022 -4.708 1.00 0.00 C ATOM 0 H THR A 73 -12.449 18.050 -1.232 1.00 0.00 H new ATOM 0 HA THR A 73 -14.225 18.345 -3.551 1.00 0.00 H new ATOM 0 HB THR A 73 -12.675 17.073 -4.988 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.420 17.030 -4.067 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.033 18.853 -5.462 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.638 19.559 -5.157 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.387 19.614 -3.892 1.00 0.00 H new ATOM 1143 N VAL A 74 -13.024 15.710 -2.014 1.00 0.00 N ATOM 1144 CA VAL A 74 -13.401 14.412 -1.482 1.00 0.00 C ATOM 1145 C VAL A 74 -14.341 14.607 -0.291 1.00 0.00 C ATOM 1146 O VAL A 74 -14.294 15.638 0.379 1.00 0.00 O ATOM 1147 CB VAL A 74 -12.148 13.607 -1.129 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.229 14.403 -0.200 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -12.520 12.258 -0.509 1.00 0.00 C ATOM 0 H VAL A 74 -12.037 15.945 -1.907 1.00 0.00 H new ATOM 0 HA VAL A 74 -13.942 13.835 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.603 13.412 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.346 13.808 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.924 15.326 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.761 14.642 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.612 11.706 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.097 12.423 0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -13.116 11.684 -1.218 1.00 0.00 H new ATOM 1159 N ASP A 75 -15.173 13.601 -0.063 1.00 0.00 N ATOM 1160 CA ASP A 75 -16.123 13.650 1.036 1.00 0.00 C ATOM 1161 C ASP A 75 -15.452 13.126 2.307 1.00 0.00 C ATOM 1162 O ASP A 75 -14.234 12.960 2.348 1.00 0.00 O ATOM 1163 CB ASP A 75 -17.343 12.772 0.748 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.692 13.410 1.086 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -19.167 14.209 0.250 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -19.218 13.083 2.171 1.00 0.00 O ATOM 0 H ASP A 75 -15.209 12.747 -0.620 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.444 14.684 1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.339 12.505 -0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.245 11.844 1.311 1.00 0.00 H new ATOM 1171 N GLU A 76 -16.277 12.880 3.315 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.779 12.379 4.584 1.00 0.00 C ATOM 1173 C GLU A 76 -15.696 10.851 4.555 1.00 0.00 C ATOM 1174 O GLU A 76 -14.861 10.259 5.238 1.00 0.00 O ATOM 1175 CB GLU A 76 -16.654 12.858 5.744 1.00 0.00 C ATOM 1176 CG GLU A 76 -18.057 12.254 5.660 1.00 0.00 C ATOM 1177 CD GLU A 76 -19.122 13.286 6.036 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -19.232 13.572 7.247 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -19.802 13.765 5.103 1.00 0.00 O ATOM 0 H GLU A 76 -17.287 13.019 3.278 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.776 12.776 4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.191 12.581 6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.721 13.946 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.240 11.889 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.127 11.394 6.327 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.572 10.257 3.758 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.607 8.810 3.632 1.00 0.00 C ATOM 1188 C LYS A 77 -15.571 8.367 2.597 1.00 0.00 C ATOM 1189 O LYS A 77 -15.887 7.610 1.682 1.00 0.00 O ATOM 1190 CB LYS A 77 -18.028 8.335 3.321 1.00 0.00 C ATOM 1191 CG LYS A 77 -19.033 8.922 4.314 1.00 0.00 C ATOM 1192 CD LYS A 77 -20.433 8.992 3.702 1.00 0.00 C ATOM 1193 CE LYS A 77 -21.005 10.407 3.800 1.00 0.00 C ATOM 1194 NZ LYS A 77 -22.483 10.376 3.719 1.00 0.00 N ATOM 0 H LYS A 77 -17.263 10.751 3.193 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.336 8.338 4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.300 8.629 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.068 7.246 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.057 8.311 5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.713 9.920 4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.393 8.684 2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -21.093 8.293 4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.696 10.866 4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.604 11.024 2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.855 11.345 3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.772 9.957 2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.862 9.804 4.501 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.354 8.859 2.778 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.269 8.523 1.872 1.00 0.00 C ATOM 1210 C ALA A 78 -11.951 8.493 2.650 1.00 0.00 C ATOM 1211 O ALA A 78 -11.165 7.558 2.510 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.240 9.525 0.716 1.00 0.00 C ATOM 0 H ALA A 78 -14.096 9.488 3.539 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.421 7.533 1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.426 9.273 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.187 9.487 0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.086 10.530 1.109 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.752 9.528 3.453 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.543 9.631 4.253 1.00 0.00 C ATOM 1220 C PHE A 79 -10.354 8.388 5.124 1.00 0.00 C ATOM 1221 O PHE A 79 -11.242 8.022 5.892 1.00 0.00 O ATOM 1222 CB PHE A 79 -10.710 10.853 5.159 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.616 12.191 4.422 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -11.718 12.716 3.824 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -9.430 12.855 4.367 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -11.632 13.958 3.141 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -9.343 14.097 3.683 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.446 14.622 3.085 1.00 0.00 C ATOM 0 H PHE A 79 -12.407 10.302 3.567 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.673 9.722 3.603 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.677 10.792 5.659 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.946 10.823 5.936 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.659 12.188 3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.555 12.438 4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.508 14.375 2.666 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.401 14.624 3.638 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.380 15.567 2.565 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.190 7.772 4.976 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.873 6.577 5.739 1.00 0.00 C ATOM 1240 C PHE A 80 -7.432 6.621 6.253 1.00 0.00 C ATOM 1241 O PHE A 80 -6.502 6.854 5.482 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.028 5.386 4.791 1.00 0.00 C ATOM 1243 CG PHE A 80 -8.010 5.364 3.648 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.175 6.184 2.576 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -6.942 4.525 3.705 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.231 6.164 1.515 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -5.998 4.504 2.645 1.00 0.00 C ATOM 1248 CZ PHE A 80 -6.162 5.324 1.572 1.00 0.00 C ATOM 0 H PHE A 80 -8.455 8.078 4.339 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.536 6.499 6.601 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.935 4.464 5.364 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.033 5.399 4.369 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.024 6.850 2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.812 3.874 4.557 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.362 6.815 0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.150 3.837 2.690 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.444 5.308 0.766 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.293 6.394 7.550 1.00 0.00 N ATOM 1259 CA ASP A 81 -5.982 6.404 8.176 1.00 0.00 C ATOM 1260 C ASP A 81 -5.386 4.996 8.125 1.00 0.00 C ATOM 1261 O ASP A 81 -6.066 4.019 8.432 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.075 6.825 9.644 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.288 8.086 10.006 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -5.032 8.882 9.077 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -4.960 8.226 11.204 1.00 0.00 O ATOM 0 H ASP A 81 -8.067 6.202 8.186 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.357 7.115 7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.124 6.985 9.895 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.720 6.003 10.265 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.121 4.937 7.735 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.425 3.665 7.640 1.00 0.00 C ATOM 1272 C VAL A 82 -2.494 3.507 8.843 1.00 0.00 C ATOM 1273 O VAL A 82 -1.485 4.203 8.947 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.693 3.568 6.300 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.636 2.462 6.332 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.680 3.350 5.151 1.00 0.00 C ATOM 0 H VAL A 82 -3.560 5.750 7.481 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.135 2.838 7.668 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.182 4.515 6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.130 2.414 5.368 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.907 2.678 7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.116 1.505 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.134 3.285 4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.231 2.424 5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.379 4.186 5.108 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.865 2.587 9.722 1.00 0.00 N ATOM 1287 CA LYS A 83 -2.075 2.329 10.914 1.00 0.00 C ATOM 1288 C LYS A 83 -0.956 1.342 10.575 1.00 0.00 C ATOM 1289 O LYS A 83 -1.222 0.221 10.143 1.00 0.00 O ATOM 1290 CB LYS A 83 -2.974 1.868 12.063 1.00 0.00 C ATOM 1291 CG LYS A 83 -2.730 2.707 13.319 1.00 0.00 C ATOM 1292 CD LYS A 83 -3.622 2.241 14.471 1.00 0.00 C ATOM 1293 CE LYS A 83 -3.689 3.298 15.575 1.00 0.00 C ATOM 1294 NZ LYS A 83 -2.680 3.020 16.621 1.00 0.00 N ATOM 0 H LYS A 83 -3.702 2.011 9.632 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.598 3.246 11.261 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.020 1.947 11.766 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.783 0.817 12.280 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.683 2.633 13.612 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.927 3.757 13.103 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.625 2.035 14.098 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.236 1.307 14.880 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.518 4.287 15.150 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.686 3.309 16.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.739 3.747 17.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.861 2.085 17.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.730 3.033 16.199 1.00 0.00 H new ATOM 1308 N THR A 84 0.272 1.794 10.783 1.00 0.00 N ATOM 1309 CA THR A 84 1.432 0.964 10.504 1.00 0.00 C ATOM 1310 C THR A 84 2.311 0.842 11.751 1.00 0.00 C ATOM 1311 O THR A 84 1.945 1.322 12.822 1.00 0.00 O ATOM 1312 CB THR A 84 2.164 1.563 9.301 1.00 0.00 C ATOM 1313 OG1 THR A 84 1.968 2.968 9.439 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.485 1.221 7.974 1.00 0.00 C ATOM 0 H THR A 84 0.489 2.724 11.141 1.00 0.00 H new ATOM 0 HA THR A 84 1.138 -0.054 10.250 1.00 0.00 H new ATOM 0 HB THR A 84 3.193 1.203 9.286 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.435 3.286 10.240 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.044 1.670 7.153 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.459 0.139 7.847 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.467 1.610 7.975 1.00 0.00 H new ATOM 1322 N THR A 85 3.454 0.196 11.568 1.00 0.00 N ATOM 1323 CA THR A 85 4.388 0.004 12.665 1.00 0.00 C ATOM 1324 C THR A 85 5.191 1.283 12.910 1.00 0.00 C ATOM 1325 O THR A 85 5.318 1.732 14.049 1.00 0.00 O ATOM 1326 CB THR A 85 5.261 -1.208 12.335 1.00 0.00 C ATOM 1327 OG1 THR A 85 5.678 -0.981 10.992 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.455 -2.507 12.261 1.00 0.00 C ATOM 0 H THR A 85 3.754 -0.201 10.677 1.00 0.00 H new ATOM 0 HA THR A 85 3.865 -0.199 13.600 1.00 0.00 H new ATOM 0 HB THR A 85 6.043 -1.308 13.088 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.656 -0.931 10.957 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.122 -3.336 12.024 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.974 -2.692 13.221 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.695 -2.420 11.485 1.00 0.00 H new ATOM 1336 N ARG A 86 5.714 1.833 11.824 1.00 0.00 N ATOM 1337 CA ARG A 86 6.502 3.051 11.908 1.00 0.00 C ATOM 1338 C ARG A 86 5.690 4.164 12.573 1.00 0.00 C ATOM 1339 O ARG A 86 5.981 4.559 13.701 1.00 0.00 O ATOM 1340 CB ARG A 86 6.948 3.515 10.520 1.00 0.00 C ATOM 1341 CG ARG A 86 8.107 2.660 10.002 1.00 0.00 C ATOM 1342 CD ARG A 86 9.442 3.143 10.574 1.00 0.00 C ATOM 1343 NE ARG A 86 10.383 3.447 9.473 1.00 0.00 N ATOM 1344 CZ ARG A 86 11.110 2.524 8.829 1.00 0.00 C ATOM 1345 NH1 ARG A 86 11.008 1.232 9.172 1.00 0.00 N ATOM 1346 NH2 ARG A 86 11.939 2.892 7.843 1.00 0.00 N ATOM 0 H ARG A 86 5.608 1.458 10.882 1.00 0.00 H new ATOM 0 HA ARG A 86 7.386 2.833 12.508 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.109 3.456 9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.253 4.560 10.563 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.946 1.617 10.276 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.137 2.702 8.913 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.285 4.032 11.185 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.866 2.379 11.225 1.00 0.00 H new ATOM 0 HE ARG A 86 10.485 4.421 9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.377 0.952 9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.561 0.529 8.682 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.017 3.875 7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.492 2.189 7.353 1.00 0.00 H new ATOM 1360 N ARG A 87 4.689 4.637 11.847 1.00 0.00 N ATOM 1361 CA ARG A 87 3.833 5.697 12.353 1.00 0.00 C ATOM 1362 C ARG A 87 2.497 5.703 11.606 1.00 0.00 C ATOM 1363 O ARG A 87 2.344 5.018 10.596 1.00 0.00 O ATOM 1364 CB ARG A 87 4.501 7.065 12.200 1.00 0.00 C ATOM 1365 CG ARG A 87 4.379 7.577 10.763 1.00 0.00 C ATOM 1366 CD ARG A 87 5.363 8.719 10.503 1.00 0.00 C ATOM 1367 NE ARG A 87 6.742 8.189 10.418 1.00 0.00 N ATOM 1368 CZ ARG A 87 7.804 8.915 10.042 1.00 0.00 C ATOM 1369 NH1 ARG A 87 7.651 10.205 9.714 1.00 0.00 N ATOM 1370 NH2 ARG A 87 9.019 8.351 9.995 1.00 0.00 N ATOM 0 H ARG A 87 4.451 4.306 10.912 1.00 0.00 H new ATOM 0 HA ARG A 87 3.660 5.506 13.412 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.040 7.777 12.884 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.553 6.993 12.476 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.570 6.762 10.065 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.361 7.921 10.581 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.103 9.230 9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.297 9.456 11.303 1.00 0.00 H new ATOM 0 HE ARG A 87 6.894 7.210 10.661 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.726 10.634 9.751 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.459 10.758 9.428 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.135 7.369 10.245 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.827 8.904 9.709 1.00 0.00 H new ATOM 1384 N VAL A 88 1.565 6.483 12.132 1.00 0.00 N ATOM 1385 CA VAL A 88 0.248 6.587 11.528 1.00 0.00 C ATOM 1386 C VAL A 88 0.322 7.508 10.308 1.00 0.00 C ATOM 1387 O VAL A 88 1.057 8.494 10.314 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.770 7.056 12.569 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.966 7.737 11.900 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.226 5.892 13.452 1.00 0.00 C ATOM 0 H VAL A 88 1.696 7.049 12.970 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.090 5.611 11.179 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.281 7.791 13.208 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.674 8.061 12.663 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.622 8.603 11.334 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.455 7.034 11.226 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.949 6.252 14.184 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.689 5.124 12.832 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.365 5.470 13.970 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.449 7.154 9.291 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.480 7.936 8.067 1.00 0.00 C ATOM 1402 C TYR A 89 -1.872 8.527 7.828 1.00 0.00 C ATOM 1403 O TYR A 89 -2.871 7.975 8.286 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.152 6.961 6.935 1.00 0.00 C ATOM 1405 CG TYR A 89 1.277 6.418 6.975 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.335 7.276 7.196 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.509 5.070 6.791 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.681 6.765 7.235 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.855 4.559 6.830 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.874 5.432 7.050 1.00 0.00 C ATOM 1411 OH TYR A 89 5.145 4.949 7.086 1.00 0.00 O ATOM 0 H TYR A 89 -1.058 6.335 9.289 1.00 0.00 H new ATOM 0 HA TYR A 89 0.226 8.764 8.123 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.849 6.124 6.977 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.313 7.462 5.980 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.154 8.331 7.340 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.681 4.398 6.618 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.518 7.426 7.407 1.00 0.00 H new ATOM 0 HE2 TYR A 89 3.050 3.506 6.688 1.00 0.00 H new ATOM 0 HH TYR A 89 5.122 3.974 7.180 1.00 0.00 H new ATOM 1421 N ASN A 90 -1.892 9.641 7.112 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.144 10.312 6.808 1.00 0.00 C ATOM 1423 C ASN A 90 -3.366 10.305 5.294 1.00 0.00 C ATOM 1424 O ASN A 90 -2.826 11.149 4.580 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.115 11.769 7.275 1.00 0.00 C ATOM 1426 CG ASN A 90 -3.208 11.858 8.799 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -2.178 11.311 9.437 1.00 0.00 O flip ATOM 1428 ND2 ASN A 90 -4.153 12.389 9.359 1.00 0.00 N flip ATOM 0 H ASN A 90 -1.061 10.096 6.734 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.945 9.783 7.325 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.196 12.245 6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.943 12.316 6.824 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.912 12.790 8.809 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.184 12.432 10.378 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.162 9.344 4.849 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.462 9.216 3.434 1.00 0.00 C ATOM 1437 C PHE A 91 -5.957 9.408 3.171 1.00 0.00 C ATOM 1438 O PHE A 91 -6.774 9.269 4.080 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.061 7.799 3.018 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.556 7.532 3.089 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.677 8.467 2.638 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.097 6.360 3.604 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.281 8.219 2.705 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.701 6.112 3.670 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.178 7.047 3.219 1.00 0.00 C ATOM 0 H PHE A 91 -4.608 8.646 5.444 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.921 9.975 2.869 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.577 7.084 3.658 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.404 7.620 1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.041 9.398 2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.795 5.618 3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.417 8.962 2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.337 5.181 4.078 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.240 6.858 3.269 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.270 9.724 1.923 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.652 9.936 1.529 1.00 0.00 C ATOM 1457 C CYS A 92 -7.727 9.901 0.001 1.00 0.00 C ATOM 1458 O CYS A 92 -6.874 10.470 -0.679 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.208 11.243 2.098 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.042 12.615 1.769 1.00 0.00 S ATOM 0 H CYS A 92 -5.590 9.838 1.171 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.276 9.143 1.940 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.176 11.462 1.648 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.370 11.142 3.171 1.00 0.00 H new ATOM 0 HG CYS A 92 -7.474 13.698 2.343 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.756 9.229 -0.494 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.953 9.112 -1.929 1.00 0.00 C ATOM 1468 C ALA A 93 -9.530 10.423 -2.468 1.00 0.00 C ATOM 1469 O ALA A 93 -9.556 11.430 -1.763 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.856 7.913 -2.224 1.00 0.00 C ATOM 0 H ALA A 93 -9.462 8.760 0.073 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.003 8.937 -2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.004 7.825 -3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.388 7.004 -1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.820 8.055 -1.736 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.978 10.367 -3.714 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.552 11.537 -4.356 1.00 0.00 C ATOM 1478 C GLN A 94 -12.080 11.472 -4.309 1.00 0.00 C ATOM 1479 O GLN A 94 -12.751 12.502 -4.358 1.00 0.00 O ATOM 1480 CB GLN A 94 -10.053 11.673 -5.795 1.00 0.00 C ATOM 1481 CG GLN A 94 -8.963 12.741 -5.899 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.326 13.796 -6.946 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -9.962 14.797 -6.661 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -8.887 13.516 -8.170 1.00 0.00 N ATOM 0 H GLN A 94 -9.955 9.529 -4.296 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.228 12.423 -3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.663 10.716 -6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.885 11.933 -6.449 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.824 13.219 -4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.015 12.273 -6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.360 12.659 -8.339 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.078 14.158 -8.939 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.586 10.251 -4.213 1.00 0.00 N ATOM 1494 CA ASP A 95 -14.022 10.038 -4.159 1.00 0.00 C ATOM 1495 C ASP A 95 -14.362 9.194 -2.929 1.00 0.00 C ATOM 1496 O ASP A 95 -13.468 8.749 -2.211 1.00 0.00 O ATOM 1497 CB ASP A 95 -14.515 9.288 -5.398 1.00 0.00 C ATOM 1498 CG ASP A 95 -15.867 9.754 -5.941 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -16.483 10.611 -5.271 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -16.255 9.242 -7.014 1.00 0.00 O ATOM 0 H ASP A 95 -12.027 9.399 -4.171 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.506 11.014 -4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.769 9.390 -6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.583 8.227 -5.159 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.657 8.999 -2.725 1.00 0.00 N ATOM 1506 CA VAL A 96 -16.126 8.216 -1.594 1.00 0.00 C ATOM 1507 C VAL A 96 -15.962 6.727 -1.907 1.00 0.00 C ATOM 1508 O VAL A 96 -15.422 5.975 -1.097 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.567 8.600 -1.253 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.395 7.363 -0.898 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.607 9.630 -0.123 1.00 0.00 C ATOM 0 H VAL A 96 -16.395 9.369 -3.323 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.529 8.430 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 96 -18.010 9.057 -2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.415 7.664 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.407 6.678 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.953 6.865 -0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.643 9.886 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -17.137 9.212 0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -17.070 10.527 -0.430 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.450 6.336 -3.115 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.363 4.951 -3.544 1.00 0.00 C ATOM 1523 C PRO A 97 -14.935 4.597 -3.968 1.00 0.00 C ATOM 1524 O PRO A 97 -14.568 3.424 -4.005 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.367 4.827 -4.679 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.640 6.246 -5.150 1.00 0.00 C ATOM 1527 CD PRO A 97 -17.095 7.200 -4.099 1.00 0.00 C ATOM 0 HA PRO A 97 -16.596 4.248 -2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.968 4.217 -5.489 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.284 4.345 -4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.163 6.427 -6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.710 6.403 -5.290 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.386 7.905 -4.533 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.893 7.789 -3.647 1.00 0.00 H new ATOM 1535 N SER A 98 -14.169 5.633 -4.276 1.00 0.00 N ATOM 1536 CA SER A 98 -12.791 5.447 -4.695 1.00 0.00 C ATOM 1537 C SER A 98 -11.918 5.104 -3.486 1.00 0.00 C ATOM 1538 O SER A 98 -10.924 4.392 -3.615 1.00 0.00 O ATOM 1539 CB SER A 98 -12.255 6.695 -5.399 1.00 0.00 C ATOM 1540 OG SER A 98 -11.237 6.379 -6.344 1.00 0.00 O ATOM 0 H SER A 98 -14.477 6.605 -4.244 1.00 0.00 H new ATOM 0 HA SER A 98 -12.759 4.621 -5.405 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.074 7.205 -5.906 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.858 7.388 -4.657 1.00 0.00 H new ATOM 0 HG SER A 98 -10.922 7.202 -6.773 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.322 5.628 -2.337 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.589 5.387 -1.106 1.00 0.00 C ATOM 1548 C ALA A 99 -11.856 3.957 -0.631 1.00 0.00 C ATOM 1549 O ALA A 99 -10.925 3.226 -0.296 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.986 6.432 -0.062 1.00 0.00 C ATOM 0 H ALA A 99 -13.147 6.218 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.516 5.485 -1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.436 6.251 0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.749 7.428 -0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -13.056 6.363 0.134 1.00 0.00 H new ATOM 1556 N GLN A 100 -13.132 3.601 -0.615 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.534 2.272 -0.186 1.00 0.00 C ATOM 1558 C GLN A 100 -12.719 1.208 -0.924 1.00 0.00 C ATOM 1559 O GLN A 100 -12.364 0.182 -0.346 1.00 0.00 O ATOM 1560 CB GLN A 100 -15.034 2.058 -0.397 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.844 3.186 0.245 1.00 0.00 C ATOM 1562 CD GLN A 100 -17.160 2.657 0.819 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -17.189 1.806 1.693 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -18.245 3.207 0.281 1.00 0.00 N ATOM 0 H GLN A 100 -13.902 4.210 -0.892 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.334 2.180 0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.252 2.011 -1.464 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.332 1.101 0.032 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.259 3.653 1.037 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.051 3.958 -0.496 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.150 3.915 -0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -19.172 2.921 0.597 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.446 1.488 -2.190 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.680 0.568 -3.012 1.00 0.00 C ATOM 1575 C GLN A 101 -10.250 0.446 -2.481 1.00 0.00 C ATOM 1576 O GLN A 101 -9.638 -0.617 -2.574 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.685 1.007 -4.477 1.00 0.00 C ATOM 1578 CG GLN A 101 -13.063 0.795 -5.108 1.00 0.00 C ATOM 1579 CD GLN A 101 -12.937 0.417 -6.586 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -12.183 1.006 -7.342 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -13.717 -0.596 -6.953 1.00 0.00 N ATOM 0 H GLN A 101 -12.742 2.340 -2.666 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.151 -0.413 -2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.407 2.059 -4.546 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.936 0.442 -5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.595 0.009 -4.572 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.655 1.705 -5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.325 -1.045 -6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.707 -0.924 -7.919 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.759 1.550 -1.936 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.413 1.580 -1.391 1.00 0.00 C ATOM 1592 C TRP A 102 -8.406 0.755 -0.102 1.00 0.00 C ATOM 1593 O TRP A 102 -7.558 -0.118 0.075 1.00 0.00 O ATOM 1594 CB TRP A 102 -7.938 3.019 -1.182 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.279 3.643 -2.413 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.808 4.518 -3.279 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.936 3.401 -2.885 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.909 4.857 -4.270 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.734 4.156 -4.022 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.926 2.571 -2.367 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.531 4.157 -4.738 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.729 2.584 -3.094 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.510 3.338 -4.241 1.00 0.00 C ATOM 0 H TRP A 102 -10.270 2.430 -1.860 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.704 1.138 -2.091 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.790 3.633 -0.889 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.230 3.040 -0.354 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.812 4.909 -3.210 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.076 5.503 -5.042 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -5.062 1.971 -1.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.398 4.757 -5.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.919 1.964 -2.738 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.557 3.292 -4.746 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.361 1.062 0.764 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.475 0.359 2.031 1.00 0.00 C ATOM 1616 C VAL A 103 -9.447 -1.149 1.777 1.00 0.00 C ATOM 1617 O VAL A 103 -8.554 -1.846 2.257 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.734 0.817 2.771 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.890 0.074 4.099 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.721 2.332 2.988 1.00 0.00 C ATOM 0 H VAL A 103 -10.062 1.787 0.614 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.629 0.596 2.677 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.596 0.575 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.792 0.418 4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.966 -0.997 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -10.023 0.271 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.626 2.632 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.848 2.607 3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.679 2.837 2.023 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.435 -1.609 1.023 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.534 -3.022 0.700 1.00 0.00 C ATOM 1632 C ASP A 104 -9.152 -3.550 0.311 1.00 0.00 C ATOM 1633 O ASP A 104 -8.705 -4.572 0.830 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.478 -3.252 -0.482 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.579 -4.286 -0.239 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -12.632 -4.802 0.898 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -13.343 -4.537 -1.196 1.00 0.00 O ATOM 0 H ASP A 104 -11.174 -1.028 0.627 1.00 0.00 H new ATOM 0 HA ASP A 104 -10.920 -3.542 1.577 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -11.944 -2.302 -0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -10.888 -3.567 -1.343 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.513 -2.830 -0.599 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.191 -3.213 -1.064 1.00 0.00 C ATOM 1644 C ARG A 105 -6.236 -3.368 0.122 1.00 0.00 C ATOM 1645 O ARG A 105 -5.865 -4.484 0.484 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.625 -2.174 -2.033 1.00 0.00 C ATOM 1647 CG ARG A 105 -6.939 -2.549 -3.483 1.00 0.00 C ATOM 1648 CD ARG A 105 -7.046 -1.300 -4.361 1.00 0.00 C ATOM 1649 NE ARG A 105 -8.277 -1.361 -5.180 1.00 0.00 N ATOM 1650 CZ ARG A 105 -8.541 -2.329 -6.069 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -7.662 -3.323 -6.258 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -9.684 -2.303 -6.768 1.00 0.00 N ATOM 0 H ARG A 105 -8.887 -1.983 -1.027 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.286 -4.165 -1.586 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.046 -1.194 -1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.546 -2.096 -1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.159 -3.204 -3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -7.874 -3.108 -3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -7.059 -0.407 -3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -6.172 -1.224 -5.008 1.00 0.00 H new ATOM 0 HE ARG A 105 -8.968 -0.620 -5.061 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -6.792 -3.343 -5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -7.863 -4.060 -6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -10.353 -1.547 -6.624 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.885 -3.039 -7.444 1.00 0.00 H new ATOM 1666 N ILE A 106 -5.865 -2.232 0.694 1.00 0.00 N ATOM 1667 CA ILE A 106 -4.960 -2.227 1.831 1.00 0.00 C ATOM 1668 C ILE A 106 -5.431 -3.260 2.856 1.00 0.00 C ATOM 1669 O ILE A 106 -4.644 -4.084 3.319 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.823 -0.813 2.400 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.277 0.152 1.346 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -3.972 -0.814 3.672 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.885 1.546 1.512 1.00 0.00 C ATOM 0 H ILE A 106 -6.175 -1.308 0.391 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.957 -2.519 1.521 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.816 -0.459 2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.192 0.212 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.499 -0.229 0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.890 0.203 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.441 -1.449 4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.977 -1.197 3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.480 2.213 0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.968 1.486 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.641 1.934 2.501 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.713 -3.181 3.182 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.298 -4.099 4.144 1.00 0.00 C ATOM 1687 C GLN A 107 -7.037 -5.547 3.724 1.00 0.00 C ATOM 1688 O GLN A 107 -7.005 -6.445 4.564 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.797 -3.838 4.310 1.00 0.00 C ATOM 1690 CG GLN A 107 -9.048 -2.671 5.266 1.00 0.00 C ATOM 1691 CD GLN A 107 -10.420 -2.792 5.932 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -11.019 -3.854 5.990 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -10.883 -1.649 6.430 1.00 0.00 N ATOM 0 H GLN A 107 -7.363 -2.495 2.797 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.824 -3.931 5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.241 -3.619 3.339 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.286 -4.735 4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.270 -2.648 6.029 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -8.987 -1.730 4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.330 -0.796 6.347 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.791 -1.626 6.895 1.00 0.00 H new ATOM 1702 N SER A 108 -6.857 -5.729 2.424 1.00 0.00 N ATOM 1703 CA SER A 108 -6.600 -7.052 1.881 1.00 0.00 C ATOM 1704 C SER A 108 -5.154 -7.463 2.168 1.00 0.00 C ATOM 1705 O SER A 108 -4.762 -8.597 1.900 1.00 0.00 O ATOM 1706 CB SER A 108 -6.875 -7.094 0.377 1.00 0.00 C ATOM 1707 OG SER A 108 -7.415 -8.347 -0.032 1.00 0.00 O ATOM 0 H SER A 108 -6.884 -4.982 1.730 1.00 0.00 H new ATOM 0 HA SER A 108 -7.275 -7.757 2.365 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.570 -6.296 0.113 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.949 -6.903 -0.166 1.00 0.00 H new ATOM 0 HG SER A 108 -7.578 -8.333 -0.998 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.400 -6.518 2.711 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.007 -6.767 3.037 1.00 0.00 C ATOM 1715 C CYS A 109 -2.673 -6.013 4.326 1.00 0.00 C ATOM 1716 O CYS A 109 -1.767 -5.182 4.346 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.077 -6.372 1.888 1.00 0.00 C ATOM 1718 SG CYS A 109 -1.160 -7.840 1.292 1.00 0.00 S ATOM 0 H CYS A 109 -4.728 -5.578 2.933 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.853 -7.835 3.191 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -2.656 -5.939 1.073 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.377 -5.607 2.223 1.00 0.00 H new ATOM 0 HG CYS A 109 -0.716 -7.616 0.091 1.00 0.00 H new