USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=18 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 17 LYS NZ :NH3+ -157:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 ASN : amide:sc= 0.177 X(o=0.18,f=-0.098) 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 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= -0.0451 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -3.6 K(o=-3.6,f=-2.2) USER MOD Single : A 37 GLN : amide:sc= -1.93 K(o=-1.9,f=-2.5!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -1.72 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.217 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.076 USER MOD Single : A 77 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.013) USER MOD Single : A 83 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0194) USER MOD Single : A 84 THR OG1 : rot 168:sc= -0.158 USER MOD Single : A 85 THR OG1 : rot 170:sc= 0.607 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 180:sc= -1.5 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -160:sc= -1.23 USER MOD Single : A 100 GLN : amide:sc= -0.0986 K(o=-0.099,f=-1) USER MOD Single : A 101 GLN : amide:sc= -0.0821 K(o=-0.082,f=-1.9!) USER MOD Single : A 107 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.3!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N TYR A 10 -3.567 -2.131 -7.762 1.00 0.00 N ATOM 102 CA TYR A 10 -4.375 -0.966 -8.078 1.00 0.00 C ATOM 103 C TYR A 10 -3.523 0.304 -8.094 1.00 0.00 C ATOM 104 O TYR A 10 -2.402 0.311 -7.587 1.00 0.00 O ATOM 105 CB TYR A 10 -5.412 -0.856 -6.958 1.00 0.00 C ATOM 106 CG TYR A 10 -6.505 0.181 -7.223 1.00 0.00 C ATOM 107 CD1 TYR A 10 -7.189 0.172 -8.422 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.808 1.126 -6.263 1.00 0.00 C ATOM 109 CE1 TYR A 10 -8.218 1.148 -8.671 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.837 2.102 -6.512 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.491 2.065 -7.704 1.00 0.00 C ATOM 112 OH TYR A 10 -9.463 2.987 -7.939 1.00 0.00 O ATOM 0 HA TYR A 10 -4.832 -1.071 -9.062 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.878 -1.830 -6.811 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.902 -0.603 -6.028 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.952 -0.567 -9.173 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.273 1.133 -5.325 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.761 1.152 -9.605 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.084 2.846 -5.769 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.550 3.576 -7.161 1.00 0.00 H new ATOM 122 N GLU A 11 -4.086 1.349 -8.682 1.00 0.00 N ATOM 123 CA GLU A 11 -3.392 2.623 -8.772 1.00 0.00 C ATOM 124 C GLU A 11 -4.398 3.766 -8.920 1.00 0.00 C ATOM 125 O GLU A 11 -5.243 3.743 -9.813 1.00 0.00 O ATOM 126 CB GLU A 11 -2.390 2.621 -9.927 1.00 0.00 C ATOM 127 CG GLU A 11 -3.090 2.352 -11.261 1.00 0.00 C ATOM 128 CD GLU A 11 -2.277 1.384 -12.122 1.00 0.00 C ATOM 129 OE1 GLU A 11 -1.149 1.769 -12.497 1.00 0.00 O ATOM 130 OE2 GLU A 11 -2.803 0.281 -12.386 1.00 0.00 O ATOM 0 H GLU A 11 -5.016 1.340 -9.101 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.832 2.776 -7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.876 3.582 -9.969 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.629 1.860 -9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.081 1.937 -11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.231 3.290 -11.797 1.00 0.00 H new ATOM 137 N GLY A 12 -4.273 4.740 -8.030 1.00 0.00 N ATOM 138 CA GLY A 12 -5.161 5.891 -8.051 1.00 0.00 C ATOM 139 C GLY A 12 -4.550 7.068 -7.288 1.00 0.00 C ATOM 140 O GLY A 12 -3.473 6.944 -6.707 1.00 0.00 O ATOM 0 H GLY A 12 -3.571 4.756 -7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.358 6.184 -9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.120 5.623 -7.607 1.00 0.00 H new ATOM 144 N ILE A 13 -5.265 8.183 -7.314 1.00 0.00 N ATOM 145 CA ILE A 13 -4.807 9.382 -6.632 1.00 0.00 C ATOM 146 C ILE A 13 -4.959 9.193 -5.121 1.00 0.00 C ATOM 147 O ILE A 13 -5.932 8.597 -4.661 1.00 0.00 O ATOM 148 CB ILE A 13 -5.531 10.616 -7.173 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.999 11.001 -8.556 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.447 11.779 -6.183 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.770 11.905 -8.438 1.00 0.00 C ATOM 0 H ILE A 13 -6.158 8.282 -7.797 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.748 9.551 -6.828 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.586 10.369 -7.291 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.741 10.101 -9.114 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.779 11.513 -9.120 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.970 12.644 -6.592 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.910 11.488 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.402 12.035 -6.010 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.412 12.164 -9.434 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.038 12.815 -7.901 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.984 11.381 -7.895 1.00 0.00 H new ATOM 163 N LEU A 14 -3.983 9.712 -4.391 1.00 0.00 N ATOM 164 CA LEU A 14 -3.996 9.608 -2.942 1.00 0.00 C ATOM 165 C LEU A 14 -3.246 10.800 -2.343 1.00 0.00 C ATOM 166 O LEU A 14 -2.059 10.986 -2.605 1.00 0.00 O ATOM 167 CB LEU A 14 -3.449 8.250 -2.497 1.00 0.00 C ATOM 168 CG LEU A 14 -4.492 7.176 -2.185 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.822 5.861 -1.782 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.481 7.664 -1.123 1.00 0.00 C ATOM 0 H LEU A 14 -3.178 10.206 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.018 9.652 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.790 7.872 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.835 8.401 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.063 6.981 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.586 5.115 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.192 5.509 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.210 6.022 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.212 6.881 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.942 7.904 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.994 8.555 -1.486 1.00 0.00 H new ATOM 182 N TYR A 15 -3.970 11.575 -1.549 1.00 0.00 N ATOM 183 CA TYR A 15 -3.388 12.744 -0.911 1.00 0.00 C ATOM 184 C TYR A 15 -2.717 12.368 0.412 1.00 0.00 C ATOM 185 O TYR A 15 -3.086 11.378 1.041 1.00 0.00 O ATOM 186 CB TYR A 15 -4.553 13.693 -0.626 1.00 0.00 C ATOM 187 CG TYR A 15 -5.166 14.320 -1.880 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.855 13.532 -2.780 1.00 0.00 C ATOM 189 CD2 TYR A 15 -5.029 15.674 -2.112 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.431 14.122 -3.960 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.606 16.264 -3.292 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.278 15.459 -4.158 1.00 0.00 C ATOM 193 OH TYR A 15 -6.823 16.016 -5.273 1.00 0.00 O ATOM 0 H TYR A 15 -4.954 11.417 -1.333 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.630 13.194 -1.552 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.329 13.148 -0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.207 14.489 0.034 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.962 12.473 -2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.489 16.291 -1.409 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.972 13.517 -4.672 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.507 17.322 -3.485 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.636 16.978 -5.283 1.00 0.00 H new ATOM 203 N LYS A 16 -1.742 13.180 0.795 1.00 0.00 N ATOM 204 CA LYS A 16 -1.016 12.946 2.032 1.00 0.00 C ATOM 205 C LYS A 16 -1.064 14.209 2.894 1.00 0.00 C ATOM 206 O LYS A 16 -0.745 15.299 2.422 1.00 0.00 O ATOM 207 CB LYS A 16 0.404 12.458 1.735 1.00 0.00 C ATOM 208 CG LYS A 16 1.251 12.429 3.009 1.00 0.00 C ATOM 209 CD LYS A 16 2.127 11.175 3.057 1.00 0.00 C ATOM 210 CE LYS A 16 3.529 11.505 3.572 1.00 0.00 C ATOM 211 NZ LYS A 16 4.310 10.265 3.780 1.00 0.00 N ATOM 0 H LYS A 16 -1.438 14.000 0.271 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.489 12.150 2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.366 11.461 1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.871 13.112 0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.880 13.318 3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.600 12.456 3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.665 10.429 3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.195 10.736 2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.042 12.150 2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.458 12.058 4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.259 10.507 4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.827 9.663 4.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.393 9.752 2.879 1.00 0.00 H new ATOM 225 N LYS A 17 -1.466 14.020 4.142 1.00 0.00 N ATOM 226 CA LYS A 17 -1.561 15.130 5.074 1.00 0.00 C ATOM 227 C LYS A 17 -0.161 15.688 5.339 1.00 0.00 C ATOM 228 O LYS A 17 0.755 14.942 5.680 1.00 0.00 O ATOM 229 CB LYS A 17 -2.302 14.703 6.342 1.00 0.00 C ATOM 230 CG LYS A 17 -2.553 15.902 7.260 1.00 0.00 C ATOM 231 CD LYS A 17 -3.531 15.539 8.380 1.00 0.00 C ATOM 232 CE LYS A 17 -2.809 15.429 9.724 1.00 0.00 C ATOM 233 NZ LYS A 17 -3.506 14.469 10.609 1.00 0.00 N ATOM 0 H LYS A 17 -1.730 13.114 4.530 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.152 15.939 4.644 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.252 14.240 6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.719 13.950 6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.610 16.239 7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.953 16.733 6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.313 16.296 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.021 14.593 8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.780 15.106 9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.766 16.408 10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.272 14.678 11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.533 14.553 10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.203 13.501 10.378 1.00 0.00 H new ATOM 337 N TRP A 24 -3.461 19.649 2.394 1.00 0.00 N ATOM 338 CA TRP A 24 -2.866 18.362 2.079 1.00 0.00 C ATOM 339 C TRP A 24 -2.329 18.427 0.647 1.00 0.00 C ATOM 340 O TRP A 24 -2.771 19.255 -0.148 1.00 0.00 O ATOM 341 CB TRP A 24 -3.870 17.227 2.290 1.00 0.00 C ATOM 342 CG TRP A 24 -4.359 17.089 3.733 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.451 18.044 4.668 1.00 0.00 C ATOM 344 CD2 TRP A 24 -4.822 15.880 4.372 1.00 0.00 C ATOM 345 NE1 TRP A 24 -4.937 17.542 5.858 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.170 16.184 5.672 1.00 0.00 C ATOM 347 CE3 TRP A 24 -4.942 14.573 3.867 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -5.661 15.235 6.576 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -5.435 13.636 4.783 1.00 0.00 C ATOM 350 CH2 TRP A 24 -5.790 13.926 6.096 1.00 0.00 C ATOM 0 HA TRP A 24 -2.037 18.145 2.752 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.730 17.391 1.640 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -3.411 16.288 1.981 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.179 19.077 4.510 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -5.096 18.070 6.716 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.675 14.313 2.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.926 15.498 7.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.548 12.616 4.446 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.163 13.145 6.742 1.00 0.00 H new ATOM 361 N LYS A 25 -1.384 17.543 0.363 1.00 0.00 N ATOM 362 CA LYS A 25 -0.783 17.490 -0.959 1.00 0.00 C ATOM 363 C LYS A 25 -1.331 16.279 -1.716 1.00 0.00 C ATOM 364 O LYS A 25 -1.565 15.226 -1.123 1.00 0.00 O ATOM 365 CB LYS A 25 0.743 17.510 -0.854 1.00 0.00 C ATOM 366 CG LYS A 25 1.255 18.924 -0.567 1.00 0.00 C ATOM 367 CD LYS A 25 2.769 18.926 -0.351 1.00 0.00 C ATOM 368 CE LYS A 25 3.210 20.164 0.432 1.00 0.00 C ATOM 369 NZ LYS A 25 4.302 19.823 1.370 1.00 0.00 N ATOM 0 H LYS A 25 -1.020 16.858 1.025 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.052 18.375 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.065 16.835 -0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.180 17.143 -1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.002 19.582 -1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.757 19.322 0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.064 18.026 0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.277 18.901 -1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.545 20.938 -0.259 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.364 20.573 0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.589 20.675 1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.971 19.100 2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.115 19.454 0.837 1.00 0.00 H new ATOM 383 N ALA A 26 -1.521 16.468 -3.013 1.00 0.00 N ATOM 384 CA ALA A 26 -2.037 15.404 -3.857 1.00 0.00 C ATOM 385 C ALA A 26 -0.872 14.703 -4.558 1.00 0.00 C ATOM 386 O ALA A 26 -0.067 15.349 -5.228 1.00 0.00 O ATOM 387 CB ALA A 26 -3.050 15.983 -4.847 1.00 0.00 C ATOM 0 H ALA A 26 -1.327 17.343 -3.500 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.557 14.657 -3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.437 15.185 -5.480 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.873 16.443 -4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.563 16.735 -5.468 1.00 0.00 H new ATOM 393 N ARG A 27 -0.818 13.391 -4.380 1.00 0.00 N ATOM 394 CA ARG A 27 0.236 12.596 -4.987 1.00 0.00 C ATOM 395 C ARG A 27 -0.341 11.301 -5.563 1.00 0.00 C ATOM 396 O ARG A 27 -1.428 10.875 -5.175 1.00 0.00 O ATOM 397 CB ARG A 27 1.324 12.253 -3.967 1.00 0.00 C ATOM 398 CG ARG A 27 2.547 13.155 -4.145 1.00 0.00 C ATOM 399 CD ARG A 27 3.823 12.443 -3.694 1.00 0.00 C ATOM 400 NE ARG A 27 4.345 13.072 -2.460 1.00 0.00 N ATOM 401 CZ ARG A 27 5.624 13.007 -2.067 1.00 0.00 C ATOM 402 NH1 ARG A 27 6.520 12.340 -2.808 1.00 0.00 N ATOM 403 NH2 ARG A 27 6.008 13.608 -0.933 1.00 0.00 N ATOM 0 H ARG A 27 -1.487 12.859 -3.824 1.00 0.00 H new ATOM 0 HA ARG A 27 0.679 13.188 -5.788 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.929 12.365 -2.957 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.618 11.209 -4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.639 13.446 -5.191 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.415 14.071 -3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.616 11.388 -3.515 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.574 12.491 -4.482 1.00 0.00 H new ATOM 0 HE ARG A 27 3.690 13.587 -1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.228 11.882 -3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.494 12.291 -2.509 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.326 14.115 -0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.982 13.558 -0.634 1.00 0.00 H new ATOM 417 N TRP A 28 0.413 10.712 -6.479 1.00 0.00 N ATOM 418 CA TRP A 28 -0.010 9.474 -7.113 1.00 0.00 C ATOM 419 C TRP A 28 0.635 8.311 -6.356 1.00 0.00 C ATOM 420 O TRP A 28 1.859 8.203 -6.303 1.00 0.00 O ATOM 421 CB TRP A 28 0.329 9.478 -8.604 1.00 0.00 C ATOM 422 CG TRP A 28 -0.046 8.185 -9.331 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.727 7.115 -9.565 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.328 7.867 -9.913 1.00 0.00 C ATOM 425 NE1 TRP A 28 0.040 6.135 -10.252 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.249 6.607 -10.471 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.515 8.619 -9.967 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.323 5.988 -11.122 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.579 7.986 -10.622 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.515 6.718 -11.188 1.00 0.00 C ATOM 0 H TRP A 28 1.314 11.068 -6.798 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.093 9.365 -7.062 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.185 10.313 -9.081 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.398 9.652 -8.722 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.758 7.031 -9.255 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.410 5.231 -10.545 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.600 9.606 -9.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.236 5.000 -11.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.515 8.521 -10.692 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.382 6.298 -11.677 1.00 0.00 H new ATOM 441 N PHE A 29 -0.218 7.471 -5.789 1.00 0.00 N ATOM 442 CA PHE A 29 0.253 6.320 -5.037 1.00 0.00 C ATOM 443 C PHE A 29 0.091 5.032 -5.847 1.00 0.00 C ATOM 444 O PHE A 29 -0.560 5.029 -6.891 1.00 0.00 O ATOM 445 CB PHE A 29 -0.607 6.227 -3.775 1.00 0.00 C ATOM 446 CG PHE A 29 -0.172 7.173 -2.654 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.412 8.363 -2.957 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.368 6.823 -1.355 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.816 9.241 -1.916 1.00 0.00 C ATOM 450 CE2 PHE A 29 0.036 7.700 -0.314 1.00 0.00 C ATOM 451 CZ PHE A 29 0.620 8.891 -0.617 1.00 0.00 C ATOM 0 H PHE A 29 -1.233 7.564 -5.835 1.00 0.00 H new ATOM 0 HA PHE A 29 1.310 6.438 -4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.643 6.443 -4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.579 5.203 -3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.569 8.641 -3.989 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.831 5.877 -1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.279 10.187 -2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.120 7.422 0.718 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.928 9.558 0.174 1.00 0.00 H new ATOM 461 N VAL A 30 0.693 3.969 -5.335 1.00 0.00 N ATOM 462 CA VAL A 30 0.623 2.678 -5.997 1.00 0.00 C ATOM 463 C VAL A 30 0.366 1.588 -4.955 1.00 0.00 C ATOM 464 O VAL A 30 1.147 1.422 -4.019 1.00 0.00 O ATOM 465 CB VAL A 30 1.897 2.438 -6.811 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.039 0.961 -7.184 1.00 0.00 C ATOM 467 CG2 VAL A 30 1.925 3.323 -8.059 1.00 0.00 C ATOM 0 H VAL A 30 1.232 3.975 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.208 2.655 -6.703 1.00 0.00 H new ATOM 0 HB VAL A 30 2.749 2.710 -6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.952 0.818 -7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.086 0.359 -6.276 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.180 0.652 -7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.840 3.133 -8.619 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.062 3.096 -8.685 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.892 4.371 -7.762 1.00 0.00 H new ATOM 477 N LEU A 31 -0.732 0.873 -5.151 1.00 0.00 N ATOM 478 CA LEU A 31 -1.103 -0.196 -4.240 1.00 0.00 C ATOM 479 C LEU A 31 -0.621 -1.533 -4.807 1.00 0.00 C ATOM 480 O LEU A 31 -1.390 -2.257 -5.438 1.00 0.00 O ATOM 481 CB LEU A 31 -2.604 -0.157 -3.949 1.00 0.00 C ATOM 482 CG LEU A 31 -3.020 -0.504 -2.518 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.324 -1.997 -2.382 1.00 0.00 C ATOM 484 CD2 LEU A 31 -1.964 -0.040 -1.513 1.00 0.00 C ATOM 0 H LEU A 31 -1.377 1.013 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.612 -0.062 -3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.973 0.842 -4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.104 -0.847 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.940 0.034 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.617 -2.217 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.137 -2.266 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.435 -2.574 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.284 -0.299 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.015 -0.530 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.840 1.040 -1.589 1.00 0.00 H new ATOM 496 N ASP A 32 0.649 -1.821 -4.561 1.00 0.00 N ATOM 497 CA ASP A 32 1.242 -3.058 -5.040 1.00 0.00 C ATOM 498 C ASP A 32 0.828 -4.207 -4.118 1.00 0.00 C ATOM 499 O ASP A 32 0.980 -4.116 -2.901 1.00 0.00 O ATOM 500 CB ASP A 32 2.770 -2.974 -5.034 1.00 0.00 C ATOM 501 CG ASP A 32 3.359 -1.839 -5.873 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.239 -1.929 -7.114 1.00 0.00 O ATOM 503 OD2 ASP A 32 3.916 -0.906 -5.254 1.00 0.00 O ATOM 0 H ASP A 32 1.284 -1.219 -4.036 1.00 0.00 H new ATOM 0 HA ASP A 32 0.894 -3.227 -6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.108 -2.858 -4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.172 -3.920 -5.397 1.00 0.00 H new ATOM 508 N LYS A 33 0.313 -5.261 -4.734 1.00 0.00 N ATOM 509 CA LYS A 33 -0.125 -6.426 -3.984 1.00 0.00 C ATOM 510 C LYS A 33 0.998 -7.465 -3.964 1.00 0.00 C ATOM 511 O LYS A 33 1.150 -8.201 -2.990 1.00 0.00 O ATOM 512 CB LYS A 33 -1.445 -6.958 -4.543 1.00 0.00 C ATOM 513 CG LYS A 33 -1.368 -7.131 -6.061 1.00 0.00 C ATOM 514 CD LYS A 33 -2.375 -8.175 -6.547 1.00 0.00 C ATOM 515 CE LYS A 33 -1.805 -9.589 -6.414 1.00 0.00 C ATOM 516 NZ LYS A 33 -1.753 -10.253 -7.736 1.00 0.00 N ATOM 0 H LYS A 33 0.189 -5.333 -5.744 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.330 -6.157 -2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.683 -7.914 -4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.253 -6.271 -4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.564 -6.177 -6.550 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.360 -7.433 -6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.296 -8.094 -5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.634 -7.979 -7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.805 -9.545 -5.983 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.421 -10.173 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.364 -11.211 -7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.712 -10.312 -8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.146 -9.703 -8.377 1.00 0.00 H new ATOM 530 N THR A 34 1.756 -7.491 -5.050 1.00 0.00 N ATOM 531 CA THR A 34 2.861 -8.428 -5.170 1.00 0.00 C ATOM 532 C THR A 34 3.966 -8.080 -4.170 1.00 0.00 C ATOM 533 O THR A 34 4.582 -8.970 -3.586 1.00 0.00 O ATOM 534 CB THR A 34 3.333 -8.419 -6.625 1.00 0.00 C ATOM 535 OG1 THR A 34 3.786 -7.085 -6.835 1.00 0.00 O ATOM 536 CG2 THR A 34 2.178 -8.581 -7.616 1.00 0.00 C ATOM 0 H THR A 34 1.627 -6.878 -5.855 1.00 0.00 H new ATOM 0 HA THR A 34 2.548 -9.442 -4.921 1.00 0.00 H new ATOM 0 HB THR A 34 4.057 -9.220 -6.777 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.112 -6.991 -7.755 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.567 -8.568 -8.634 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.672 -9.529 -7.433 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.471 -7.762 -7.488 1.00 0.00 H new ATOM 544 N LYS A 35 4.183 -6.783 -4.005 1.00 0.00 N ATOM 545 CA LYS A 35 5.203 -6.307 -3.087 1.00 0.00 C ATOM 546 C LYS A 35 4.549 -5.928 -1.757 1.00 0.00 C ATOM 547 O LYS A 35 5.239 -5.621 -0.786 1.00 0.00 O ATOM 548 CB LYS A 35 6.007 -5.171 -3.722 1.00 0.00 C ATOM 549 CG LYS A 35 7.118 -5.721 -4.619 1.00 0.00 C ATOM 550 CD LYS A 35 8.494 -5.262 -4.131 1.00 0.00 C ATOM 551 CE LYS A 35 9.608 -6.088 -4.778 1.00 0.00 C ATOM 552 NZ LYS A 35 10.857 -5.298 -4.860 1.00 0.00 N ATOM 0 H LYS A 35 3.670 -6.048 -4.491 1.00 0.00 H new ATOM 0 HA LYS A 35 5.923 -7.097 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.344 -4.534 -4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.441 -4.547 -2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.076 -6.810 -4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.962 -5.386 -5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.634 -4.207 -4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.549 -5.356 -3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.781 -6.994 -4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.303 -6.402 -5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.603 -5.873 -5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.692 -4.446 -5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.155 -5.019 -3.903 1.00 0.00 H new ATOM 566 N HIS A 36 3.224 -5.961 -1.755 1.00 0.00 N ATOM 567 CA HIS A 36 2.469 -5.625 -0.560 1.00 0.00 C ATOM 568 C HIS A 36 3.057 -4.367 0.082 1.00 0.00 C ATOM 569 O HIS A 36 3.202 -4.297 1.302 1.00 0.00 O ATOM 570 CB HIS A 36 2.418 -6.813 0.403 1.00 0.00 C ATOM 571 CG HIS A 36 3.776 -7.318 0.828 1.00 0.00 C ATOM 572 ND1 HIS A 36 4.279 -8.543 0.426 1.00 0.00 N ATOM 573 CD2 HIS A 36 4.730 -6.751 1.621 1.00 0.00 C ATOM 574 CE1 HIS A 36 5.482 -8.697 0.961 1.00 0.00 C ATOM 575 NE2 HIS A 36 5.759 -7.585 1.701 1.00 0.00 N ATOM 0 H HIS A 36 2.654 -6.215 -2.562 1.00 0.00 H new ATOM 0 HA HIS A 36 1.436 -5.405 -0.829 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.855 -6.524 1.291 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.870 -7.628 -0.070 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.660 -5.787 2.102 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.129 -9.552 0.833 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.616 -7.421 2.229 1.00 0.00 H new ATOM 583 N GLN A 37 3.380 -3.403 -0.768 1.00 0.00 N ATOM 584 CA GLN A 37 3.949 -2.151 -0.299 1.00 0.00 C ATOM 585 C GLN A 37 3.211 -0.965 -0.925 1.00 0.00 C ATOM 586 O GLN A 37 2.385 -1.145 -1.819 1.00 0.00 O ATOM 587 CB GLN A 37 5.448 -2.084 -0.598 1.00 0.00 C ATOM 588 CG GLN A 37 6.241 -2.955 0.378 1.00 0.00 C ATOM 589 CD GLN A 37 7.337 -3.736 -0.350 1.00 0.00 C ATOM 590 OE1 GLN A 37 7.474 -4.940 -0.211 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.108 -2.985 -1.132 1.00 0.00 N ATOM 0 H GLN A 37 3.258 -3.464 -1.779 1.00 0.00 H new ATOM 0 HA GLN A 37 3.825 -2.101 0.783 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.634 -2.415 -1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.790 -1.051 -0.530 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.688 -2.328 1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.568 -3.649 0.881 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.939 -1.982 -1.203 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.868 -3.413 -1.661 1.00 0.00 H new ATOM 600 N LEU A 38 3.536 0.220 -0.431 1.00 0.00 N ATOM 601 CA LEU A 38 2.915 1.435 -0.930 1.00 0.00 C ATOM 602 C LEU A 38 3.977 2.306 -1.605 1.00 0.00 C ATOM 603 O LEU A 38 4.809 2.910 -0.930 1.00 0.00 O ATOM 604 CB LEU A 38 2.156 2.148 0.190 1.00 0.00 C ATOM 605 CG LEU A 38 0.840 2.818 -0.212 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.227 2.622 0.867 1.00 0.00 C ATOM 607 CD2 LEU A 38 1.056 4.296 -0.542 1.00 0.00 C ATOM 0 H LEU A 38 4.222 0.365 0.310 1.00 0.00 H new ATOM 0 HA LEU A 38 2.169 1.197 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.946 1.424 0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.810 2.906 0.620 1.00 0.00 H new ATOM 0 HG LEU A 38 0.474 2.336 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.152 3.108 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.407 1.557 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.117 3.062 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.105 4.748 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.457 4.809 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.760 4.385 -1.369 1.00 0.00 H new ATOM 619 N ARG A 39 3.913 2.342 -2.928 1.00 0.00 N ATOM 620 CA ARG A 39 4.859 3.129 -3.701 1.00 0.00 C ATOM 621 C ARG A 39 4.209 4.432 -4.168 1.00 0.00 C ATOM 622 O ARG A 39 3.208 4.409 -4.883 1.00 0.00 O ATOM 623 CB ARG A 39 5.357 2.350 -4.920 1.00 0.00 C ATOM 624 CG ARG A 39 6.203 1.147 -4.494 1.00 0.00 C ATOM 625 CD ARG A 39 7.042 0.627 -5.662 1.00 0.00 C ATOM 626 NE ARG A 39 8.483 0.772 -5.354 1.00 0.00 N ATOM 627 CZ ARG A 39 9.165 -0.053 -4.548 1.00 0.00 C ATOM 628 NH1 ARG A 39 8.543 -1.085 -3.963 1.00 0.00 N ATOM 629 NH2 ARG A 39 10.470 0.156 -4.326 1.00 0.00 N ATOM 0 H ARG A 39 3.221 1.839 -3.484 1.00 0.00 H new ATOM 0 HA ARG A 39 5.708 3.354 -3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.507 2.010 -5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.948 3.006 -5.559 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.857 1.431 -3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.553 0.353 -4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.806 -0.420 -5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.798 1.179 -6.570 1.00 0.00 H new ATOM 0 HE ARG A 39 8.988 1.548 -5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.549 -1.243 -4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.063 -1.713 -3.350 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.943 0.943 -4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.990 -0.472 -3.713 1.00 0.00 H new ATOM 643 N TYR A 40 4.803 5.538 -3.746 1.00 0.00 N ATOM 644 CA TYR A 40 4.294 6.849 -4.112 1.00 0.00 C ATOM 645 C TYR A 40 5.424 7.762 -4.592 1.00 0.00 C ATOM 646 O TYR A 40 6.510 7.768 -4.013 1.00 0.00 O ATOM 647 CB TYR A 40 3.686 7.436 -2.837 1.00 0.00 C ATOM 648 CG TYR A 40 4.720 7.973 -1.845 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.260 7.135 -0.890 1.00 0.00 C ATOM 650 CD2 TYR A 40 5.112 9.295 -1.905 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.233 7.641 0.044 1.00 0.00 C ATOM 652 CE2 TYR A 40 6.085 9.800 -0.971 1.00 0.00 C ATOM 653 CZ TYR A 40 6.597 8.948 -0.043 1.00 0.00 C ATOM 654 OH TYR A 40 7.516 9.425 0.839 1.00 0.00 O ATOM 0 H TYR A 40 5.633 5.553 -3.153 1.00 0.00 H new ATOM 0 HA TYR A 40 3.569 6.767 -4.922 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.005 8.243 -3.109 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.089 6.668 -2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.953 6.101 -0.843 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.689 9.950 -2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.664 6.997 0.796 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.401 10.832 -1.007 1.00 0.00 H new ATOM 0 HH TYR A 40 7.681 10.374 0.658 1.00 0.00 H new ATOM 664 N TYR A 41 5.131 8.510 -5.645 1.00 0.00 N ATOM 665 CA TYR A 41 6.109 9.425 -6.209 1.00 0.00 C ATOM 666 C TYR A 41 5.501 10.812 -6.425 1.00 0.00 C ATOM 667 O TYR A 41 4.289 10.988 -6.311 1.00 0.00 O ATOM 668 CB TYR A 41 6.503 8.837 -7.565 1.00 0.00 C ATOM 669 CG TYR A 41 6.562 7.308 -7.587 1.00 0.00 C ATOM 670 CD1 TYR A 41 5.397 6.572 -7.512 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.779 6.666 -7.682 1.00 0.00 C ATOM 672 CE1 TYR A 41 5.452 5.133 -7.533 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.834 5.227 -7.703 1.00 0.00 C ATOM 674 CZ TYR A 41 6.668 4.532 -7.627 1.00 0.00 C ATOM 675 OH TYR A 41 6.720 3.173 -7.647 1.00 0.00 O ATOM 0 H TYR A 41 4.230 8.501 -6.123 1.00 0.00 H new ATOM 0 HA TYR A 41 6.961 9.538 -5.539 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.789 9.174 -8.317 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.478 9.232 -7.851 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.444 7.075 -7.438 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.691 7.242 -7.741 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.548 4.545 -7.475 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.780 4.712 -7.777 1.00 0.00 H new ATOM 0 HH TYR A 41 7.653 2.882 -7.718 1.00 0.00 H new ATOM 836 N VAL A 52 8.939 3.371 0.703 1.00 0.00 N ATOM 837 CA VAL A 52 7.767 2.544 0.470 1.00 0.00 C ATOM 838 C VAL A 52 7.117 2.199 1.811 1.00 0.00 C ATOM 839 O VAL A 52 7.778 2.213 2.848 1.00 0.00 O ATOM 840 CB VAL A 52 8.153 1.307 -0.343 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.916 1.699 -1.610 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.965 0.325 0.504 1.00 0.00 C ATOM 0 HA VAL A 52 7.028 3.086 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 52 7.234 0.807 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.178 0.801 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.289 2.341 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.825 2.234 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.226 -0.545 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.876 0.812 0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.372 0.008 1.362 1.00 0.00 H new ATOM 852 N ILE A 53 5.828 1.897 1.747 1.00 0.00 N ATOM 853 CA ILE A 53 5.081 1.550 2.944 1.00 0.00 C ATOM 854 C ILE A 53 4.710 0.066 2.895 1.00 0.00 C ATOM 855 O ILE A 53 3.734 -0.313 2.249 1.00 0.00 O ATOM 856 CB ILE A 53 3.877 2.479 3.113 1.00 0.00 C ATOM 857 CG1 ILE A 53 4.232 3.914 2.717 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.318 2.398 4.534 1.00 0.00 C ATOM 859 CD1 ILE A 53 2.975 4.778 2.604 1.00 0.00 C ATOM 0 H ILE A 53 5.282 1.886 0.885 1.00 0.00 H new ATOM 0 HA ILE A 53 5.695 1.697 3.832 1.00 0.00 H new ATOM 0 HB ILE A 53 3.089 2.144 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.907 4.343 3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.763 3.912 1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.463 3.068 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.003 1.376 4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.089 2.693 5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.255 5.793 2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.313 4.360 1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.460 4.798 3.564 1.00 0.00 H new ATOM 871 N ASP A 54 5.508 -0.734 3.586 1.00 0.00 N ATOM 872 CA ASP A 54 5.276 -2.168 3.630 1.00 0.00 C ATOM 873 C ASP A 54 3.916 -2.440 4.275 1.00 0.00 C ATOM 874 O ASP A 54 3.765 -2.316 5.489 1.00 0.00 O ATOM 875 CB ASP A 54 6.346 -2.873 4.466 1.00 0.00 C ATOM 876 CG ASP A 54 6.877 -2.066 5.652 1.00 0.00 C ATOM 877 OD1 ASP A 54 6.139 -1.162 6.099 1.00 0.00 O ATOM 878 OD2 ASP A 54 8.010 -2.371 6.084 1.00 0.00 O ATOM 0 H ASP A 54 6.317 -0.416 4.120 1.00 0.00 H new ATOM 0 HA ASP A 54 5.309 -2.547 2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.934 -3.811 4.839 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.183 -3.129 3.816 1.00 0.00 H new ATOM 883 N LEU A 55 2.961 -2.807 3.433 1.00 0.00 N ATOM 884 CA LEU A 55 1.618 -3.098 3.906 1.00 0.00 C ATOM 885 C LEU A 55 1.681 -4.213 4.951 1.00 0.00 C ATOM 886 O LEU A 55 0.756 -4.377 5.746 1.00 0.00 O ATOM 887 CB LEU A 55 0.691 -3.410 2.729 1.00 0.00 C ATOM 888 CG LEU A 55 0.662 -2.372 1.605 1.00 0.00 C ATOM 889 CD1 LEU A 55 -0.038 -2.928 0.363 1.00 0.00 C ATOM 890 CD2 LEU A 55 0.030 -1.064 2.083 1.00 0.00 C ATOM 0 H LEU A 55 3.090 -2.909 2.426 1.00 0.00 H new ATOM 0 HA LEU A 55 1.189 -2.224 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.987 -4.369 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.322 -3.530 3.112 1.00 0.00 H new ATOM 0 HG LEU A 55 1.690 -2.147 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.045 -2.170 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.495 -3.811 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.063 -3.200 0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.022 -0.344 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.992 -1.252 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.609 -0.662 2.914 1.00 0.00 H new ATOM 902 N ALA A 56 2.780 -4.952 4.916 1.00 0.00 N ATOM 903 CA ALA A 56 2.976 -6.048 5.851 1.00 0.00 C ATOM 904 C ALA A 56 3.117 -5.485 7.267 1.00 0.00 C ATOM 905 O ALA A 56 2.946 -6.209 8.246 1.00 0.00 O ATOM 906 CB ALA A 56 4.193 -6.871 5.426 1.00 0.00 C ATOM 0 H ALA A 56 3.544 -4.814 4.255 1.00 0.00 H new ATOM 0 HA ALA A 56 2.114 -6.716 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.340 -7.693 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.030 -7.272 4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.079 -6.235 5.422 1.00 0.00 H new ATOM 912 N GLU A 57 3.430 -4.199 7.329 1.00 0.00 N ATOM 913 CA GLU A 57 3.597 -3.531 8.609 1.00 0.00 C ATOM 914 C GLU A 57 2.273 -2.910 9.061 1.00 0.00 C ATOM 915 O GLU A 57 2.068 -2.674 10.250 1.00 0.00 O ATOM 916 CB GLU A 57 4.701 -2.475 8.536 1.00 0.00 C ATOM 917 CG GLU A 57 6.080 -3.129 8.432 1.00 0.00 C ATOM 918 CD GLU A 57 6.511 -3.718 9.777 1.00 0.00 C ATOM 919 OE1 GLU A 57 6.838 -2.910 10.671 1.00 0.00 O ATOM 920 OE2 GLU A 57 6.502 -4.964 9.879 1.00 0.00 O ATOM 0 H GLU A 57 3.572 -3.602 6.514 1.00 0.00 H new ATOM 0 HA GLU A 57 3.898 -4.274 9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.535 -1.829 7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.661 -1.841 9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.058 -3.915 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.812 -2.392 8.103 1.00 0.00 H new ATOM 927 N VAL A 58 1.409 -2.664 8.087 1.00 0.00 N ATOM 928 CA VAL A 58 0.111 -2.076 8.369 1.00 0.00 C ATOM 929 C VAL A 58 -0.654 -2.979 9.339 1.00 0.00 C ATOM 930 O VAL A 58 -0.804 -4.175 9.092 1.00 0.00 O ATOM 931 CB VAL A 58 -0.645 -1.825 7.063 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.098 -1.430 7.338 1.00 0.00 C ATOM 933 CG2 VAL A 58 0.061 -0.765 6.215 1.00 0.00 C ATOM 0 H VAL A 58 1.583 -2.861 7.101 1.00 0.00 H new ATOM 0 HA VAL A 58 0.228 -1.106 8.852 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.652 -2.756 6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.613 -1.257 6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.597 -2.232 7.882 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.120 -0.519 7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.497 -0.606 5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.115 0.170 6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.069 -1.103 5.975 1.00 0.00 H new ATOM 943 N GLU A 59 -1.117 -2.373 10.422 1.00 0.00 N ATOM 944 CA GLU A 59 -1.862 -3.107 11.430 1.00 0.00 C ATOM 945 C GLU A 59 -3.363 -3.024 11.146 1.00 0.00 C ATOM 946 O GLU A 59 -4.114 -3.938 11.485 1.00 0.00 O ATOM 947 CB GLU A 59 -1.540 -2.592 12.834 1.00 0.00 C ATOM 948 CG GLU A 59 -0.064 -2.809 13.174 1.00 0.00 C ATOM 949 CD GLU A 59 0.541 -1.557 13.813 1.00 0.00 C ATOM 950 OE1 GLU A 59 0.261 -0.459 13.286 1.00 0.00 O ATOM 951 OE2 GLU A 59 1.269 -1.728 14.815 1.00 0.00 O ATOM 0 H GLU A 59 -0.990 -1.381 10.624 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.561 -4.154 11.385 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.779 -1.531 12.899 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.164 -3.105 13.565 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.036 -3.654 13.855 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.488 -3.063 12.269 1.00 0.00 H new ATOM 958 N ALA A 60 -3.755 -1.921 10.526 1.00 0.00 N ATOM 959 CA ALA A 60 -5.153 -1.707 10.192 1.00 0.00 C ATOM 960 C ALA A 60 -5.346 -0.263 9.725 1.00 0.00 C ATOM 961 O ALA A 60 -4.402 0.526 9.728 1.00 0.00 O ATOM 962 CB ALA A 60 -6.025 -2.050 11.402 1.00 0.00 C ATOM 0 H ALA A 60 -3.129 -1.166 10.246 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.457 -2.361 9.375 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.074 -1.890 11.152 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.873 -3.094 11.676 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.750 -1.411 12.241 1.00 0.00 H new ATOM 968 N VAL A 61 -6.575 0.039 9.333 1.00 0.00 N ATOM 969 CA VAL A 61 -6.904 1.375 8.864 1.00 0.00 C ATOM 970 C VAL A 61 -8.198 1.842 9.533 1.00 0.00 C ATOM 971 O VAL A 61 -9.009 1.023 9.964 1.00 0.00 O ATOM 972 CB VAL A 61 -6.982 1.388 7.336 1.00 0.00 C ATOM 973 CG1 VAL A 61 -7.204 -0.023 6.787 1.00 0.00 C ATOM 974 CG2 VAL A 61 -8.074 2.343 6.851 1.00 0.00 C ATOM 0 H VAL A 61 -7.355 -0.618 9.330 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.122 2.081 9.142 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.027 1.750 6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.256 0.014 5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.377 -0.665 7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.138 -0.424 7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.108 2.333 5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.038 2.025 7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.855 3.353 7.198 1.00 0.00 H new ATOM 984 N ALA A 62 -8.352 3.156 9.599 1.00 0.00 N ATOM 985 CA ALA A 62 -9.534 3.741 10.208 1.00 0.00 C ATOM 986 C ALA A 62 -9.886 5.041 9.482 1.00 0.00 C ATOM 987 O ALA A 62 -8.999 5.763 9.029 1.00 0.00 O ATOM 988 CB ALA A 62 -9.284 3.957 11.703 1.00 0.00 C ATOM 0 H ALA A 62 -7.678 3.832 9.241 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.387 3.069 10.114 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.171 4.396 12.160 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.067 3.000 12.178 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.436 4.629 11.837 1.00 0.00 H new ATOM 994 N PRO A 63 -11.216 5.307 9.392 1.00 0.00 N ATOM 995 CA PRO A 63 -11.697 6.508 8.729 1.00 0.00 C ATOM 996 C PRO A 63 -11.473 7.744 9.603 1.00 0.00 C ATOM 997 O PRO A 63 -11.998 7.827 10.712 1.00 0.00 O ATOM 998 CB PRO A 63 -13.165 6.239 8.444 1.00 0.00 C ATOM 999 CG PRO A 63 -13.567 5.099 9.366 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.295 4.476 9.918 1.00 0.00 C ATOM 0 HA PRO A 63 -11.159 6.723 7.806 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.769 7.126 8.634 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.317 5.968 7.399 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.195 5.467 10.177 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.151 4.356 8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.297 4.473 11.008 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.190 3.440 9.596 1.00 0.00 H new ATOM 1008 N GLY A 64 -10.694 8.673 9.070 1.00 0.00 N ATOM 1009 CA GLY A 64 -10.394 9.900 9.787 1.00 0.00 C ATOM 1010 C GLY A 64 -11.063 11.103 9.119 1.00 0.00 C ATOM 1011 O GLY A 64 -10.539 11.650 8.150 1.00 0.00 O ATOM 0 H GLY A 64 -10.261 8.601 8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.736 9.816 10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.315 10.051 9.820 1.00 0.00 H new ATOM 1015 N THR A 65 -12.211 11.480 9.663 1.00 0.00 N ATOM 1016 CA THR A 65 -12.957 12.608 9.131 1.00 0.00 C ATOM 1017 C THR A 65 -12.001 13.709 8.669 1.00 0.00 C ATOM 1018 O THR A 65 -10.873 13.799 9.150 1.00 0.00 O ATOM 1019 CB THR A 65 -13.944 13.070 10.205 1.00 0.00 C ATOM 1020 OG1 THR A 65 -14.125 11.922 11.028 1.00 0.00 O ATOM 1021 CG2 THR A 65 -15.338 13.347 9.638 1.00 0.00 C ATOM 0 H THR A 65 -12.643 11.024 10.467 1.00 0.00 H new ATOM 0 HA THR A 65 -13.527 12.324 8.246 1.00 0.00 H new ATOM 0 HB THR A 65 -13.562 13.971 10.686 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.750 12.134 11.752 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.000 13.672 10.441 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.274 14.129 8.882 1.00 0.00 H new ATOM 0 HG23 THR A 65 -15.735 12.438 9.187 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.500 14.541 7.716 1.00 0.00 N ATOM 1030 CA PRO A 66 -11.703 15.633 7.184 1.00 0.00 C ATOM 1031 C PRO A 66 -11.608 16.784 8.188 1.00 0.00 C ATOM 1032 O PRO A 66 -12.550 17.036 8.939 1.00 0.00 O ATOM 1033 CB PRO A 66 -12.394 16.030 5.890 1.00 0.00 C ATOM 1034 CG PRO A 66 -13.803 15.466 5.979 1.00 0.00 C ATOM 1035 CD PRO A 66 -13.832 14.465 7.123 1.00 0.00 C ATOM 0 HA PRO A 66 -10.669 15.345 6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.414 17.114 5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.866 15.627 5.026 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.524 16.265 6.152 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.081 14.983 5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.604 14.717 7.850 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.049 13.459 6.764 1.00 0.00 H new ATOM 1043 N THR A 67 -10.464 17.450 8.170 1.00 0.00 N ATOM 1044 CA THR A 67 -10.234 18.568 9.070 1.00 0.00 C ATOM 1045 C THR A 67 -10.136 19.875 8.282 1.00 0.00 C ATOM 1046 O THR A 67 -10.451 19.913 7.094 1.00 0.00 O ATOM 1047 CB THR A 67 -8.983 18.260 9.896 1.00 0.00 C ATOM 1048 OG1 THR A 67 -8.014 17.871 8.926 1.00 0.00 O ATOM 1049 CG2 THR A 67 -9.151 17.018 10.773 1.00 0.00 C ATOM 0 H THR A 67 -9.685 17.237 7.546 1.00 0.00 H new ATOM 0 HA THR A 67 -11.070 18.702 9.757 1.00 0.00 H new ATOM 0 HB THR A 67 -8.743 19.118 10.524 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.170 17.655 9.375 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.235 16.845 11.338 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.980 17.170 11.464 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.358 16.153 10.143 1.00 0.00 H new ATOM 1057 N ILE A 68 -9.697 20.916 8.976 1.00 0.00 N ATOM 1058 CA ILE A 68 -9.554 22.222 8.356 1.00 0.00 C ATOM 1059 C ILE A 68 -8.290 22.236 7.494 1.00 0.00 C ATOM 1060 O ILE A 68 -7.182 22.082 8.007 1.00 0.00 O ATOM 1061 CB ILE A 68 -9.588 23.325 9.416 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -10.973 23.424 10.059 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -9.131 24.662 8.831 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -10.905 24.171 11.393 1.00 0.00 C ATOM 0 H ILE A 68 -9.436 20.881 9.961 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.395 22.424 7.693 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.884 23.062 10.206 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.656 23.940 9.384 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.377 22.424 10.218 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.165 25.428 9.605 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.111 24.567 8.459 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.791 24.945 8.011 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.902 24.228 11.829 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.240 23.640 12.074 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.524 25.179 11.227 1.00 0.00 H new ATOM 1076 N GLY A 69 -8.497 22.423 6.199 1.00 0.00 N ATOM 1077 CA GLY A 69 -7.388 22.460 5.261 1.00 0.00 C ATOM 1078 C GLY A 69 -7.494 21.324 4.242 1.00 0.00 C ATOM 1079 O GLY A 69 -7.041 21.459 3.106 1.00 0.00 O ATOM 0 H GLY A 69 -9.417 22.551 5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.377 23.419 4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.446 22.380 5.803 1.00 0.00 H new ATOM 1083 N ALA A 70 -8.095 20.229 4.684 1.00 0.00 N ATOM 1084 CA ALA A 70 -8.266 19.070 3.825 1.00 0.00 C ATOM 1085 C ALA A 70 -8.856 19.516 2.486 1.00 0.00 C ATOM 1086 O ALA A 70 -9.349 20.636 2.363 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.142 18.034 4.533 1.00 0.00 C ATOM 0 H ALA A 70 -8.470 20.120 5.626 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.305 18.598 3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.270 17.164 3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.664 17.728 5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.117 18.470 4.752 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.785 18.592 1.490 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.307 18.879 0.165 1.00 0.00 C ATOM 1095 C PRO A 71 -10.836 18.824 0.153 1.00 0.00 C ATOM 1096 O PRO A 71 -11.430 17.867 0.648 1.00 0.00 O ATOM 1097 CB PRO A 71 -8.668 17.840 -0.743 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.182 16.729 0.173 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.208 17.256 1.599 1.00 0.00 C ATOM 0 HA PRO A 71 -9.065 19.887 -0.173 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.387 17.461 -1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.841 18.270 -1.308 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.820 15.850 0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.173 16.421 -0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.809 16.617 2.246 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.206 17.291 2.026 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.429 19.863 -0.416 1.00 0.00 N ATOM 1108 CA LYS A 72 -12.878 19.945 -0.498 1.00 0.00 C ATOM 1109 C LYS A 72 -13.399 18.810 -1.382 1.00 0.00 C ATOM 1110 O LYS A 72 -14.256 18.034 -0.961 1.00 0.00 O ATOM 1111 CB LYS A 72 -13.310 21.336 -0.964 1.00 0.00 C ATOM 1112 CG LYS A 72 -13.201 22.354 0.173 1.00 0.00 C ATOM 1113 CD LYS A 72 -11.816 23.005 0.196 1.00 0.00 C ATOM 1114 CE LYS A 72 -11.700 24.005 1.347 1.00 0.00 C ATOM 1115 NZ LYS A 72 -10.320 24.534 1.437 1.00 0.00 N ATOM 0 H LYS A 72 -10.933 20.655 -0.825 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.324 19.812 0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.688 21.652 -1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.337 21.299 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.966 23.122 0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.391 21.861 1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.050 22.236 0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.633 23.512 -0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.401 24.826 1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.973 23.522 2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.259 25.212 2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.658 23.750 1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.073 25.013 0.547 1.00 0.00 H new ATOM 1129 N THR A 73 -12.861 18.750 -2.591 1.00 0.00 N ATOM 1130 CA THR A 73 -13.261 17.723 -3.538 1.00 0.00 C ATOM 1131 C THR A 73 -13.526 16.403 -2.812 1.00 0.00 C ATOM 1132 O THR A 73 -14.600 15.819 -2.951 1.00 0.00 O ATOM 1133 CB THR A 73 -12.175 17.620 -4.610 1.00 0.00 C ATOM 1134 OG1 THR A 73 -10.967 17.471 -3.868 1.00 0.00 O ATOM 1135 CG2 THR A 73 -11.982 18.930 -5.377 1.00 0.00 C ATOM 0 H THR A 73 -12.151 19.396 -2.937 1.00 0.00 H new ATOM 0 HA THR A 73 -14.199 17.981 -4.029 1.00 0.00 H new ATOM 0 HB THR A 73 -12.431 16.824 -5.310 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.211 17.395 -4.486 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.200 18.802 -6.125 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.915 19.204 -5.870 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.694 19.719 -4.683 1.00 0.00 H new ATOM 1143 N VAL A 74 -12.529 15.970 -2.054 1.00 0.00 N ATOM 1144 CA VAL A 74 -12.642 14.729 -1.307 1.00 0.00 C ATOM 1145 C VAL A 74 -13.775 14.854 -0.287 1.00 0.00 C ATOM 1146 O VAL A 74 -14.011 15.933 0.255 1.00 0.00 O ATOM 1147 CB VAL A 74 -11.297 14.381 -0.666 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.391 13.079 0.133 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -10.192 14.299 -1.721 1.00 0.00 C ATOM 0 H VAL A 74 -11.640 16.456 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.894 13.904 -1.973 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.039 15.181 0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.422 12.855 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.136 13.189 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.683 12.265 -0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.247 14.050 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.441 13.528 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.100 15.260 -2.227 1.00 0.00 H new ATOM 1159 N ASP A 75 -14.447 13.735 -0.057 1.00 0.00 N ATOM 1160 CA ASP A 75 -15.550 13.706 0.888 1.00 0.00 C ATOM 1161 C ASP A 75 -15.123 12.940 2.141 1.00 0.00 C ATOM 1162 O ASP A 75 -14.207 12.119 2.090 1.00 0.00 O ATOM 1163 CB ASP A 75 -16.767 12.996 0.292 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.111 13.672 0.570 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -18.131 14.550 1.459 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -19.088 13.295 -0.113 1.00 0.00 O ATOM 0 H ASP A 75 -14.249 12.842 -0.509 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.815 14.736 1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.632 12.920 -0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.802 11.979 0.681 1.00 0.00 H new ATOM 1171 N GLU A 76 -15.805 13.235 3.238 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.507 12.584 4.503 1.00 0.00 C ATOM 1173 C GLU A 76 -15.656 11.067 4.367 1.00 0.00 C ATOM 1174 O GLU A 76 -15.149 10.313 5.196 1.00 0.00 O ATOM 1175 CB GLU A 76 -16.399 13.125 5.622 1.00 0.00 C ATOM 1176 CG GLU A 76 -17.803 12.524 5.542 1.00 0.00 C ATOM 1177 CD GLU A 76 -18.847 13.493 6.103 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -18.659 13.920 7.263 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -19.808 13.784 5.360 1.00 0.00 O ATOM 0 H GLU A 76 -16.563 13.916 3.277 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.473 12.806 4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.955 12.893 6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.460 14.211 5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.042 12.286 4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.834 11.588 6.099 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.356 10.665 3.316 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.578 9.252 3.062 1.00 0.00 C ATOM 1188 C LYS A 77 -15.476 8.724 2.141 1.00 0.00 C ATOM 1189 O LYS A 77 -15.701 7.794 1.368 1.00 0.00 O ATOM 1190 CB LYS A 77 -17.992 9.021 2.524 1.00 0.00 C ATOM 1191 CG LYS A 77 -19.017 9.016 3.659 1.00 0.00 C ATOM 1192 CD LYS A 77 -20.168 8.056 3.355 1.00 0.00 C ATOM 1193 CE LYS A 77 -21.485 8.816 3.179 1.00 0.00 C ATOM 1194 NZ LYS A 77 -21.959 9.337 4.481 1.00 0.00 N ATOM 0 H LYS A 77 -16.776 11.293 2.631 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.517 8.684 3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.243 9.801 1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.031 8.072 1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.532 8.724 4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.408 10.023 3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.946 7.492 2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.267 7.333 4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.346 9.640 2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.238 8.156 2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.928 9.700 4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.949 8.572 5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.333 10.106 4.796 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.309 9.341 2.254 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.171 8.945 1.442 1.00 0.00 C ATOM 1210 C ALA A 78 -11.881 9.185 2.227 1.00 0.00 C ATOM 1211 O ALA A 78 -10.804 9.289 1.642 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.199 9.709 0.117 1.00 0.00 C ATOM 0 H ALA A 78 -14.127 10.113 2.896 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.219 7.882 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.345 9.412 -0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.122 9.480 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.150 10.780 0.313 1.00 0.00 H new ATOM 1218 N PHE A 79 -12.032 9.268 3.541 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.892 9.495 4.413 1.00 0.00 C ATOM 1220 C PHE A 79 -10.579 8.248 5.242 1.00 0.00 C ATOM 1221 O PHE A 79 -11.407 7.800 6.034 1.00 0.00 O ATOM 1222 CB PHE A 79 -11.270 10.638 5.356 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.858 12.023 4.853 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -11.610 12.656 3.912 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -9.741 12.621 5.345 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -11.227 13.941 3.444 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -9.358 13.906 4.878 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.110 14.539 3.937 1.00 0.00 C ATOM 0 H PHE A 79 -12.927 9.182 4.023 1.00 0.00 H new ATOM 0 HA PHE A 79 -10.011 9.734 3.818 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -12.349 10.625 5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.806 10.463 6.327 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.498 12.181 3.521 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.144 12.118 6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.823 14.443 2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.470 14.381 5.269 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.819 15.517 3.582 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.381 7.721 5.032 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.949 6.534 5.750 1.00 0.00 C ATOM 1240 C PHE A 80 -7.473 6.637 6.141 1.00 0.00 C ATOM 1241 O PHE A 80 -6.633 7.000 5.319 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.131 5.347 4.802 1.00 0.00 C ATOM 1243 CG PHE A 80 -8.071 5.259 3.703 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.196 6.012 2.577 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -7.005 4.429 3.851 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.212 5.931 1.556 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -6.021 4.348 2.830 1.00 0.00 C ATOM 1248 CZ PHE A 80 -6.145 5.100 1.704 1.00 0.00 C ATOM 0 H PHE A 80 -8.696 8.095 4.375 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.532 6.419 6.663 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.114 4.425 5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.115 5.413 4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.043 6.671 2.459 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.906 3.831 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.311 6.529 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.174 3.689 2.948 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.397 5.038 0.928 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.203 6.311 7.396 1.00 0.00 N ATOM 1259 CA ASP A 81 -5.843 6.363 7.906 1.00 0.00 C ATOM 1260 C ASP A 81 -5.253 4.951 7.916 1.00 0.00 C ATOM 1261 O ASP A 81 -5.972 3.975 8.125 1.00 0.00 O ATOM 1262 CB ASP A 81 -5.812 6.898 9.339 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.159 8.272 9.502 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -5.494 9.160 8.689 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -4.339 8.403 10.436 1.00 0.00 O ATOM 0 H ASP A 81 -7.902 6.010 8.075 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.266 7.026 7.261 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.834 6.952 9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.280 6.183 9.966 1.00 0.00 H new ATOM 1270 N VAL A 82 -3.949 4.887 7.687 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.255 3.611 7.667 1.00 0.00 C ATOM 1272 C VAL A 82 -2.403 3.479 8.931 1.00 0.00 C ATOM 1273 O VAL A 82 -1.439 4.221 9.115 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.438 3.481 6.379 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.409 2.354 6.495 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.351 3.268 5.170 1.00 0.00 C ATOM 0 H VAL A 82 -3.355 5.698 7.514 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.969 2.787 7.669 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.897 4.415 6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.842 2.282 5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.729 2.565 7.320 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.922 1.410 6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.746 3.179 4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.932 2.356 5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.027 4.117 5.071 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.790 2.530 9.770 1.00 0.00 N ATOM 1287 CA LYS A 83 -2.074 2.291 11.012 1.00 0.00 C ATOM 1288 C LYS A 83 -0.930 1.309 10.755 1.00 0.00 C ATOM 1289 O LYS A 83 -1.163 0.120 10.540 1.00 0.00 O ATOM 1290 CB LYS A 83 -3.040 1.836 12.108 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.934 2.991 12.564 1.00 0.00 C ATOM 1292 CD LYS A 83 -5.349 2.499 12.877 1.00 0.00 C ATOM 1293 CE LYS A 83 -5.981 3.325 13.999 1.00 0.00 C ATOM 1294 NZ LYS A 83 -5.439 2.914 15.313 1.00 0.00 N ATOM 0 H LYS A 83 -3.590 1.917 9.614 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.626 3.215 11.377 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.657 1.018 11.737 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.476 1.450 12.957 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.504 3.461 13.449 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.974 3.754 11.786 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.967 2.563 11.981 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.317 1.449 13.167 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.785 4.384 13.833 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.063 3.196 13.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.983 3.372 16.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.511 1.881 15.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.441 3.200 15.382 1.00 0.00 H new ATOM 1308 N THR A 84 0.283 1.842 10.784 1.00 0.00 N ATOM 1309 CA THR A 84 1.464 1.027 10.557 1.00 0.00 C ATOM 1310 C THR A 84 2.325 0.971 11.821 1.00 0.00 C ATOM 1311 O THR A 84 1.951 1.523 12.855 1.00 0.00 O ATOM 1312 CB THR A 84 2.204 1.594 9.344 1.00 0.00 C ATOM 1313 OG1 THR A 84 2.013 3.002 9.448 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.529 1.224 8.021 1.00 0.00 C ATOM 0 H THR A 84 0.473 2.828 10.961 1.00 0.00 H new ATOM 0 HA THR A 84 1.195 -0.006 10.338 1.00 0.00 H new ATOM 0 HB THR A 84 3.231 1.229 9.343 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.614 3.461 8.824 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.094 1.651 7.192 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.499 0.139 7.919 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.513 1.618 8.008 1.00 0.00 H new ATOM 1322 N THR A 85 3.460 0.299 11.697 1.00 0.00 N ATOM 1323 CA THR A 85 4.376 0.164 12.816 1.00 0.00 C ATOM 1324 C THR A 85 5.143 1.469 13.038 1.00 0.00 C ATOM 1325 O THR A 85 5.243 1.950 14.166 1.00 0.00 O ATOM 1326 CB THR A 85 5.285 -1.036 12.541 1.00 0.00 C ATOM 1327 OG1 THR A 85 5.756 -0.817 11.214 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.508 -2.350 12.448 1.00 0.00 C ATOM 0 H THR A 85 3.766 -0.158 10.838 1.00 0.00 H new ATOM 0 HA THR A 85 3.839 -0.023 13.746 1.00 0.00 H new ATOM 0 HB THR A 85 6.034 -1.112 13.329 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.470 -1.457 11.011 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.200 -3.169 12.252 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.987 -2.532 13.388 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.782 -2.287 11.638 1.00 0.00 H new ATOM 1336 N ARG A 86 5.664 2.006 11.945 1.00 0.00 N ATOM 1337 CA ARG A 86 6.418 3.246 12.006 1.00 0.00 C ATOM 1338 C ARG A 86 5.569 4.353 12.633 1.00 0.00 C ATOM 1339 O ARG A 86 5.893 4.856 13.708 1.00 0.00 O ATOM 1340 CB ARG A 86 6.870 3.686 10.612 1.00 0.00 C ATOM 1341 CG ARG A 86 8.181 3.003 10.219 1.00 0.00 C ATOM 1342 CD ARG A 86 8.771 3.634 8.956 1.00 0.00 C ATOM 1343 NE ARG A 86 9.443 2.598 8.139 1.00 0.00 N ATOM 1344 CZ ARG A 86 10.646 2.081 8.423 1.00 0.00 C ATOM 1345 NH1 ARG A 86 11.317 2.500 9.504 1.00 0.00 N ATOM 1346 NH2 ARG A 86 11.178 1.146 7.625 1.00 0.00 N ATOM 0 H ARG A 86 5.579 1.605 11.011 1.00 0.00 H new ATOM 0 HA ARG A 86 7.300 3.067 12.621 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.097 3.444 9.882 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.000 4.768 10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.896 3.082 11.038 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.006 1.940 10.051 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.982 4.111 8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.483 4.413 9.227 1.00 0.00 H new ATOM 0 HE ARG A 86 8.960 2.257 7.308 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.912 3.213 10.111 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.233 2.106 9.720 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.667 0.828 6.801 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.094 0.752 7.841 1.00 0.00 H new ATOM 1360 N ARG A 87 4.498 4.701 11.935 1.00 0.00 N ATOM 1361 CA ARG A 87 3.600 5.740 12.409 1.00 0.00 C ATOM 1362 C ARG A 87 2.304 5.733 11.597 1.00 0.00 C ATOM 1363 O ARG A 87 2.253 5.164 10.507 1.00 0.00 O ATOM 1364 CB ARG A 87 4.251 7.121 12.306 1.00 0.00 C ATOM 1365 CG ARG A 87 4.393 7.551 10.845 1.00 0.00 C ATOM 1366 CD ARG A 87 5.211 8.840 10.730 1.00 0.00 C ATOM 1367 NE ARG A 87 5.477 9.145 9.307 1.00 0.00 N ATOM 1368 CZ ARG A 87 6.388 8.507 8.559 1.00 0.00 C ATOM 1369 NH1 ARG A 87 7.125 7.524 9.095 1.00 0.00 N ATOM 1370 NH2 ARG A 87 6.562 8.851 7.276 1.00 0.00 N ATOM 0 H ARG A 87 4.232 4.281 11.044 1.00 0.00 H new ATOM 0 HA ARG A 87 3.378 5.533 13.456 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.650 7.852 12.847 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.232 7.101 12.780 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.875 6.758 10.274 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.406 7.702 10.409 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.671 9.666 11.193 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.152 8.733 11.270 1.00 0.00 H new ATOM 0 HE ARG A 87 4.933 9.887 8.868 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.992 7.262 10.072 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.818 7.038 8.526 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.001 9.599 6.868 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.255 8.365 6.707 1.00 0.00 H new ATOM 1384 N VAL A 88 1.287 6.371 12.158 1.00 0.00 N ATOM 1385 CA VAL A 88 -0.006 6.445 11.499 1.00 0.00 C ATOM 1386 C VAL A 88 0.079 7.427 10.328 1.00 0.00 C ATOM 1387 O VAL A 88 0.718 8.472 10.435 1.00 0.00 O ATOM 1388 CB VAL A 88 -1.089 6.817 12.513 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.269 7.508 11.827 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.554 5.587 13.295 1.00 0.00 C ATOM 0 H VAL A 88 1.332 6.842 13.062 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.282 5.473 11.090 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.655 7.521 13.223 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.024 7.762 12.571 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.923 8.418 11.336 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.702 6.838 11.084 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.324 5.879 14.009 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.961 4.849 12.604 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.708 5.155 13.830 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.575 7.055 9.238 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.581 7.889 8.048 1.00 0.00 C ATOM 1402 C TYR A 89 -1.997 8.369 7.723 1.00 0.00 C ATOM 1403 O TYR A 89 -2.976 7.784 8.185 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.082 7.000 6.907 1.00 0.00 C ATOM 1405 CG TYR A 89 1.285 6.364 7.166 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.320 7.131 7.662 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.483 5.024 6.904 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.607 6.532 7.906 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.770 4.425 7.148 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.768 5.209 7.637 1.00 0.00 C ATOM 1411 OH TYR A 89 4.983 4.644 7.868 1.00 0.00 O ATOM 0 H TYR A 89 -1.105 6.187 9.154 1.00 0.00 H new ATOM 0 HA TYR A 89 0.043 8.771 8.194 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.811 6.210 6.730 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.028 7.594 5.994 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.165 8.180 7.867 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.673 4.424 6.516 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.425 7.120 8.294 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.939 3.377 6.947 1.00 0.00 H new ATOM 0 HH TYR A 89 4.952 3.693 7.632 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.061 9.428 6.930 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.341 9.993 6.537 1.00 0.00 C ATOM 1423 C ASN A 90 -3.449 9.988 5.011 1.00 0.00 C ATOM 1424 O ASN A 90 -2.666 10.644 4.327 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.474 11.440 7.015 1.00 0.00 C ATOM 1426 CG ASN A 90 -3.046 11.576 8.478 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -1.911 11.894 8.792 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -4.015 11.318 9.351 1.00 0.00 N ATOM 0 H ASN A 90 -1.247 9.910 6.549 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.129 9.390 6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.861 12.091 6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.507 11.771 6.902 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.830 11.381 10.352 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.944 11.057 9.020 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.427 9.239 4.522 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.648 9.139 3.089 1.00 0.00 C ATOM 1437 C PHE A 91 -6.139 9.233 2.756 1.00 0.00 C ATOM 1438 O PHE A 91 -6.986 8.985 3.612 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.125 7.770 2.650 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.619 7.586 2.850 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.779 8.645 2.701 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.121 6.363 3.176 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.382 8.474 2.887 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.724 6.192 3.362 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.116 7.251 3.213 1.00 0.00 C ATOM 0 H PHE A 91 -5.075 8.696 5.093 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.136 9.954 2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.652 6.995 3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.362 7.623 1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.175 9.616 2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.788 5.522 3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.285 9.315 2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.328 5.221 3.622 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.179 7.121 3.354 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.413 9.593 1.511 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.786 9.723 1.055 1.00 0.00 C ATOM 1457 C CYS A 92 -7.788 9.697 -0.475 1.00 0.00 C ATOM 1458 O CYS A 92 -6.877 10.226 -1.109 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.448 10.987 1.606 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.575 12.471 0.986 1.00 0.00 S ATOM 0 H CYS A 92 -5.707 9.799 0.804 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.378 8.889 1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.495 11.019 1.306 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.429 10.972 2.696 1.00 0.00 H new ATOM 0 HG CYS A 92 -8.146 13.539 1.458 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.823 9.078 -1.023 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.956 8.976 -2.467 1.00 0.00 C ATOM 1468 C ALA A 93 -9.669 10.222 -2.997 1.00 0.00 C ATOM 1469 O ALA A 93 -10.047 11.102 -2.225 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.697 7.686 -2.822 1.00 0.00 C ATOM 0 H ALA A 93 -9.578 8.642 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.975 8.929 -2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.797 7.610 -3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.136 6.829 -2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.687 7.698 -2.367 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.830 10.258 -4.312 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.490 11.381 -4.955 1.00 0.00 C ATOM 1478 C GLN A 94 -11.966 11.059 -5.202 1.00 0.00 C ATOM 1479 O GLN A 94 -12.597 11.655 -6.073 1.00 0.00 O ATOM 1480 CB GLN A 94 -9.786 11.758 -6.259 1.00 0.00 C ATOM 1481 CG GLN A 94 -8.901 12.992 -6.068 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.366 14.143 -6.963 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -8.969 14.272 -8.109 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -10.227 14.970 -6.376 1.00 0.00 N ATOM 0 H GLN A 94 -9.514 9.527 -4.949 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.432 12.241 -4.288 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.179 10.921 -6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.528 11.954 -7.033 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.927 13.305 -5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.866 12.741 -6.300 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -10.518 14.804 -5.413 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.596 15.770 -6.889 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.472 10.118 -4.419 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.861 9.709 -4.541 1.00 0.00 C ATOM 1495 C ASP A 95 -14.255 8.881 -3.317 1.00 0.00 C ATOM 1496 O ASP A 95 -13.391 8.411 -2.578 1.00 0.00 O ATOM 1497 CB ASP A 95 -14.073 8.845 -5.786 1.00 0.00 C ATOM 1498 CG ASP A 95 -15.275 9.236 -6.647 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -15.879 10.285 -6.337 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -15.563 8.476 -7.598 1.00 0.00 O ATOM 0 H ASP A 95 -11.945 9.627 -3.697 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.472 10.609 -4.618 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.174 8.893 -6.401 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.191 7.807 -5.474 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.559 8.727 -3.140 1.00 0.00 N ATOM 1506 CA VAL A 96 -16.077 7.963 -2.018 1.00 0.00 C ATOM 1507 C VAL A 96 -15.898 6.470 -2.297 1.00 0.00 C ATOM 1508 O VAL A 96 -15.429 5.726 -1.437 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.533 8.351 -1.749 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.357 7.131 -1.332 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.620 9.458 -0.697 1.00 0.00 C ATOM 0 H VAL A 96 -16.272 9.118 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.520 8.193 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.954 8.738 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.388 7.434 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.335 6.387 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.936 6.701 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.665 9.715 -0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -17.173 9.111 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -17.084 10.339 -1.050 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.291 6.065 -3.535 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.179 4.674 -3.938 1.00 0.00 C ATOM 1523 C PRO A 97 -14.725 4.307 -4.242 1.00 0.00 C ATOM 1524 O PRO A 97 -14.378 3.128 -4.303 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.091 4.539 -5.146 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.317 5.953 -5.657 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.851 6.918 -4.579 1.00 0.00 C ATOM 0 HA PRO A 97 -16.479 3.983 -3.151 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.633 3.915 -5.913 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.035 4.067 -4.872 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.764 6.118 -6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.371 6.113 -5.883 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.105 7.613 -4.965 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.679 7.517 -4.199 1.00 0.00 H new ATOM 1535 N SER A 98 -13.914 5.338 -4.425 1.00 0.00 N ATOM 1536 CA SER A 98 -12.505 5.139 -4.721 1.00 0.00 C ATOM 1537 C SER A 98 -11.740 4.820 -3.435 1.00 0.00 C ATOM 1538 O SER A 98 -10.805 4.020 -3.447 1.00 0.00 O ATOM 1539 CB SER A 98 -11.906 6.371 -5.403 1.00 0.00 C ATOM 1540 OG SER A 98 -12.523 6.638 -6.660 1.00 0.00 O ATOM 0 H SER A 98 -14.205 6.314 -4.374 1.00 0.00 H new ATOM 0 HA SER A 98 -12.416 4.297 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.020 7.237 -4.752 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.836 6.221 -5.549 1.00 0.00 H new ATOM 0 HG SER A 98 -11.934 7.205 -7.200 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.165 5.461 -2.356 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.532 5.255 -1.065 1.00 0.00 C ATOM 1548 C ALA A 99 -11.827 3.835 -0.578 1.00 0.00 C ATOM 1549 O ALA A 99 -10.909 3.085 -0.248 1.00 0.00 O ATOM 1550 CB ALA A 99 -12.018 6.321 -0.082 1.00 0.00 C ATOM 0 H ALA A 99 -12.940 6.124 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.450 5.357 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.543 6.166 0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.758 7.310 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -13.100 6.248 0.029 1.00 0.00 H new ATOM 1556 N GLN A 100 -13.110 3.508 -0.548 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.538 2.191 -0.107 1.00 0.00 C ATOM 1558 C GLN A 100 -12.663 1.109 -0.743 1.00 0.00 C ATOM 1559 O GLN A 100 -12.259 0.159 -0.073 1.00 0.00 O ATOM 1560 CB GLN A 100 -15.016 1.959 -0.425 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.888 3.053 0.193 1.00 0.00 C ATOM 1562 CD GLN A 100 -17.194 2.470 0.738 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -17.616 1.383 0.380 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -17.807 3.252 1.623 1.00 0.00 N ATOM 0 H GLN A 100 -13.868 4.133 -0.822 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.421 2.136 0.975 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.161 1.941 -1.505 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.325 0.985 -0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.343 3.547 0.997 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.109 3.813 -0.556 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.398 4.151 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -18.685 2.952 2.046 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.397 1.287 -2.029 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.578 0.338 -2.762 1.00 0.00 C ATOM 1575 C GLN A 101 -10.149 0.335 -2.215 1.00 0.00 C ATOM 1576 O GLN A 101 -9.494 -0.706 -2.185 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.590 0.646 -4.261 1.00 0.00 C ATOM 1578 CG GLN A 101 -12.939 0.282 -4.885 1.00 0.00 C ATOM 1579 CD GLN A 101 -12.788 -0.021 -6.377 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -11.709 0.035 -6.942 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -13.929 -0.345 -6.980 1.00 0.00 N ATOM 0 H GLN A 101 -12.735 2.075 -2.582 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.001 -0.657 -2.625 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.386 1.705 -4.420 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.794 0.090 -4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.358 -0.585 -4.375 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.642 1.104 -4.746 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.798 -0.373 -6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.935 -0.566 -7.976 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.708 1.512 -1.795 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.369 1.658 -1.250 1.00 0.00 C ATOM 1592 C TRP A 102 -8.309 0.887 0.070 1.00 0.00 C ATOM 1593 O TRP A 102 -7.448 0.027 0.253 1.00 0.00 O ATOM 1594 CB TRP A 102 -7.997 3.134 -1.098 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.327 3.738 -2.334 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.850 4.601 -3.217 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.982 3.488 -2.792 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.943 4.924 -4.206 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.771 4.226 -3.939 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.976 2.666 -2.254 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.563 4.215 -4.646 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.774 2.667 -2.972 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.546 3.403 -4.129 1.00 0.00 C ATOM 0 H TRP A 102 -10.254 2.373 -1.821 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.628 1.240 -1.931 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.898 3.704 -0.871 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.328 3.243 -0.245 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.854 4.994 -3.161 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.103 5.558 -4.989 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -5.119 2.080 -1.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.423 4.801 -5.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.967 2.053 -2.601 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.589 3.349 -4.627 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.234 1.222 0.957 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.298 0.572 2.254 1.00 0.00 C ATOM 1616 C VAL A 103 -9.338 -0.945 2.059 1.00 0.00 C ATOM 1617 O VAL A 103 -8.420 -1.652 2.471 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.492 1.104 3.049 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.700 0.298 4.332 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.325 2.593 3.357 1.00 0.00 C ATOM 0 H VAL A 103 -9.946 1.936 0.802 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.407 0.801 2.839 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.384 0.987 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.555 0.697 4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.886 -0.746 4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.808 0.368 4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.187 2.946 3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.419 2.744 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.250 3.151 2.424 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.412 -1.400 1.430 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.584 -2.820 1.175 1.00 0.00 C ATOM 1632 C ASP A 104 -9.249 -3.419 0.729 1.00 0.00 C ATOM 1633 O ASP A 104 -8.809 -4.434 1.268 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.606 -3.060 0.062 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.539 -4.251 0.286 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -12.876 -4.494 1.465 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -12.894 -4.892 -0.727 1.00 0.00 O ATOM 0 H ASP A 104 -11.171 -0.810 1.090 1.00 0.00 H new ATOM 0 HA ASP A 104 -10.936 -3.288 2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.211 -2.161 -0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.071 -3.208 -0.876 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.641 -2.766 -0.250 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.365 -3.221 -0.775 1.00 0.00 C ATOM 1644 C ARG A 105 -6.360 -3.410 0.364 1.00 0.00 C ATOM 1645 O ARG A 105 -5.967 -4.535 0.669 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.798 -2.224 -1.786 1.00 0.00 C ATOM 1647 CG ARG A 105 -7.081 -2.675 -3.220 1.00 0.00 C ATOM 1648 CD ARG A 105 -6.729 -1.574 -4.222 1.00 0.00 C ATOM 1649 NE ARG A 105 -7.815 -1.428 -5.217 1.00 0.00 N ATOM 1650 CZ ARG A 105 -8.208 -2.403 -6.048 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -7.607 -3.600 -6.008 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -9.202 -2.182 -6.918 1.00 0.00 N ATOM 0 H ARG A 105 -9.009 -1.925 -0.694 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.534 -4.173 -1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.237 -1.241 -1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.723 -2.123 -1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.504 -3.572 -3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.134 -2.940 -3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.575 -0.630 -3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.793 -1.815 -4.726 1.00 0.00 H new ATOM 0 HE ARG A 105 -8.294 -0.529 -5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -6.850 -3.769 -5.345 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -7.906 -4.342 -6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.660 -1.271 -6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.501 -2.924 -7.550 1.00 0.00 H new ATOM 1666 N ILE A 106 -5.974 -2.293 0.960 1.00 0.00 N ATOM 1667 CA ILE A 106 -5.022 -2.321 2.058 1.00 0.00 C ATOM 1668 C ILE A 106 -5.493 -3.328 3.109 1.00 0.00 C ATOM 1669 O ILE A 106 -4.699 -4.120 3.615 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.801 -0.912 2.612 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.217 0.013 1.542 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -3.935 -0.948 3.873 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.652 1.461 1.772 1.00 0.00 C ATOM 0 H ILE A 106 -6.303 -1.362 0.704 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.046 -2.657 1.708 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.770 -0.502 2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.129 -0.050 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.542 -0.316 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.793 0.066 4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.428 -1.550 4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.965 -1.386 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.223 2.097 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.739 1.525 1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.304 1.795 2.750 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.782 -3.265 3.407 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.368 -4.162 4.389 1.00 0.00 C ATOM 1687 C GLN A 107 -7.265 -5.612 3.912 1.00 0.00 C ATOM 1688 O GLN A 107 -7.280 -6.538 4.721 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.822 -3.783 4.679 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.938 -3.038 6.010 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.513 -3.946 7.099 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -9.710 -5.135 6.911 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -9.769 -3.322 8.245 1.00 0.00 N ATOM 0 H GLN A 107 -7.438 -2.607 2.986 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.809 -4.065 5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.206 -3.158 3.873 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.438 -4.682 4.706 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.956 -2.676 6.315 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.576 -2.163 5.887 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.580 -2.324 8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.154 -3.842 9.034 1.00 0.00 H new ATOM 1702 N SER A 108 -7.161 -5.764 2.600 1.00 0.00 N ATOM 1703 CA SER A 108 -7.055 -7.086 2.005 1.00 0.00 C ATOM 1704 C SER A 108 -5.634 -7.625 2.179 1.00 0.00 C ATOM 1705 O SER A 108 -5.357 -8.775 1.841 1.00 0.00 O ATOM 1706 CB SER A 108 -7.433 -7.055 0.523 1.00 0.00 C ATOM 1707 OG SER A 108 -8.661 -7.732 0.271 1.00 0.00 O ATOM 0 H SER A 108 -7.148 -4.993 1.932 1.00 0.00 H new ATOM 0 HA SER A 108 -7.754 -7.748 2.516 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.515 -6.020 0.191 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.638 -7.516 -0.064 1.00 0.00 H new ATOM 0 HG SER A 108 -8.868 -7.688 -0.686 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.771 -6.770 2.707 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.386 -7.146 2.930 1.00 0.00 C ATOM 1715 C CYS A 109 -2.907 -6.475 4.219 1.00 0.00 C ATOM 1716 O CYS A 109 -2.052 -5.592 4.183 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.501 -6.783 1.736 1.00 0.00 C ATOM 1718 SG CYS A 109 -1.845 -8.304 0.958 1.00 0.00 S ATOM 0 H CYS A 109 -5.005 -5.817 2.987 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.314 -8.228 3.036 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -3.076 -6.211 1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.678 -6.148 2.063 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.097 -7.985 -0.056 1.00 0.00 H new