USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=20 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 180:sc= 0 USER MOD Set 1.2: A 101 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.7!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -137:sc=-8.7e-05 (180deg=-0.294) 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+ -144:sc= -0.167 (180deg=-0.755) USER MOD Single : A 34 THR OG1 : rot -36:sc= 1.01 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -3.76! C(o=-5.3!,f=-3.8!) USER MOD Single : A 37 GLN : amide:sc= -2.5 K(o=-2.5,f=-5.2!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.759! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0484 USER MOD Single : A 67 THR OG1 : rot -120:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0666 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -164:sc=-0.00132 (180deg=-0.136) USER MOD Single : A 84 THR OG1 : rot 44:sc= 0.603 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -1.8 F(o=-3.1!,f=-1.8) USER MOD Single : A 92 CYS SG : rot -130:sc= -1.53 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -160:sc= -0.785 USER MOD Single : A 100 GLN : amide:sc= -0.0122 X(o=-0.012,f=-0.075) USER MOD Single : A 107 GLN : amide:sc= -0.415 K(o=-0.42,f=-2.9!) USER MOD Single : A 108 SER OG : rot -18:sc= 0.545 USER MOD Single : A 109 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N TYR A 10 -3.103 -2.221 -8.134 1.00 0.00 N ATOM 102 CA TYR A 10 -3.988 -1.073 -8.227 1.00 0.00 C ATOM 103 C TYR A 10 -3.203 0.235 -8.113 1.00 0.00 C ATOM 104 O TYR A 10 -2.072 0.244 -7.631 1.00 0.00 O ATOM 105 CB TYR A 10 -4.948 -1.183 -7.040 1.00 0.00 C ATOM 106 CG TYR A 10 -6.198 -0.310 -7.167 1.00 0.00 C ATOM 107 CD1 TYR A 10 -7.115 -0.559 -8.168 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.407 0.727 -6.282 1.00 0.00 C ATOM 109 CE1 TYR A 10 -8.291 0.263 -8.288 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.584 1.549 -6.401 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.467 1.276 -7.398 1.00 0.00 C ATOM 112 OH TYR A 10 -9.578 2.053 -7.511 1.00 0.00 O ATOM 0 HA TYR A 10 -4.507 -1.065 -9.185 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.254 -2.223 -6.929 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.416 -0.908 -6.129 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.950 -1.371 -8.861 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.688 0.923 -5.500 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.016 0.079 -9.067 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.761 2.363 -5.714 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.573 2.736 -6.808 1.00 0.00 H new ATOM 122 N GLU A 11 -3.836 1.309 -8.564 1.00 0.00 N ATOM 123 CA GLU A 11 -3.211 2.619 -8.519 1.00 0.00 C ATOM 124 C GLU A 11 -4.277 3.717 -8.538 1.00 0.00 C ATOM 125 O GLU A 11 -5.356 3.529 -9.098 1.00 0.00 O ATOM 126 CB GLU A 11 -2.222 2.796 -9.673 1.00 0.00 C ATOM 127 CG GLU A 11 -2.861 2.404 -11.007 1.00 0.00 C ATOM 128 CD GLU A 11 -2.351 1.041 -11.479 1.00 0.00 C ATOM 129 OE1 GLU A 11 -1.276 1.026 -12.116 1.00 0.00 O ATOM 130 OE2 GLU A 11 -3.050 0.044 -11.193 1.00 0.00 O ATOM 0 H GLU A 11 -4.775 1.298 -8.962 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.650 2.700 -7.588 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.889 3.833 -9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.337 2.184 -9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.945 2.374 -10.900 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.636 3.161 -11.759 1.00 0.00 H new ATOM 137 N GLY A 12 -3.937 4.838 -7.919 1.00 0.00 N ATOM 138 CA GLY A 12 -4.852 5.965 -7.858 1.00 0.00 C ATOM 139 C GLY A 12 -4.264 7.103 -7.021 1.00 0.00 C ATOM 140 O GLY A 12 -3.299 6.904 -6.286 1.00 0.00 O ATOM 0 H GLY A 12 -3.041 4.990 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.063 6.322 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.801 5.645 -7.428 1.00 0.00 H new ATOM 144 N ILE A 13 -4.872 8.273 -7.161 1.00 0.00 N ATOM 145 CA ILE A 13 -4.421 9.443 -6.427 1.00 0.00 C ATOM 146 C ILE A 13 -4.647 9.219 -4.930 1.00 0.00 C ATOM 147 O ILE A 13 -5.636 8.604 -4.533 1.00 0.00 O ATOM 148 CB ILE A 13 -5.093 10.706 -6.968 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.485 11.119 -8.309 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.038 11.839 -5.941 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.276 12.034 -8.105 1.00 0.00 C ATOM 0 H ILE A 13 -5.673 8.435 -7.772 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.351 9.593 -6.569 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.145 10.483 -7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.184 10.231 -8.864 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.236 11.631 -8.910 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.523 12.725 -6.351 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.554 11.531 -5.032 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.998 12.069 -5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.863 12.313 -9.074 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.586 12.932 -7.571 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.517 11.510 -7.524 1.00 0.00 H new ATOM 163 N LEU A 14 -3.714 9.730 -4.140 1.00 0.00 N ATOM 164 CA LEU A 14 -3.799 9.593 -2.696 1.00 0.00 C ATOM 165 C LEU A 14 -3.096 10.780 -2.034 1.00 0.00 C ATOM 166 O LEU A 14 -1.898 10.982 -2.225 1.00 0.00 O ATOM 167 CB LEU A 14 -3.257 8.233 -2.254 1.00 0.00 C ATOM 168 CG LEU A 14 -4.263 7.080 -2.246 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.618 5.793 -1.727 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.518 7.453 -1.454 1.00 0.00 C ATOM 0 H LEU A 14 -2.895 10.240 -4.473 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.839 9.616 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.430 7.963 -2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.846 8.337 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.575 6.892 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.354 4.989 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.780 5.521 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.259 5.950 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.217 6.616 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.243 7.684 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.989 8.325 -1.908 1.00 0.00 H new ATOM 182 N TYR A 15 -3.872 11.535 -1.269 1.00 0.00 N ATOM 183 CA TYR A 15 -3.339 12.696 -0.578 1.00 0.00 C ATOM 184 C TYR A 15 -2.747 12.303 0.778 1.00 0.00 C ATOM 185 O TYR A 15 -3.125 11.283 1.352 1.00 0.00 O ATOM 186 CB TYR A 15 -4.526 13.633 -0.350 1.00 0.00 C ATOM 187 CG TYR A 15 -5.066 14.275 -1.630 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.694 13.497 -2.581 1.00 0.00 C ATOM 189 CD2 TYR A 15 -4.926 15.633 -1.833 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.202 14.101 -3.785 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.434 16.238 -3.037 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.047 15.442 -3.954 1.00 0.00 C ATOM 193 OH TYR A 15 -6.527 16.012 -5.091 1.00 0.00 O ATOM 0 H TYR A 15 -4.866 11.365 -1.113 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.546 13.161 -1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.329 13.075 0.131 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.227 14.421 0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.804 12.434 -2.422 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.435 16.242 -1.088 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.695 13.503 -4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.331 17.299 -3.208 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.347 16.975 -5.075 1.00 0.00 H new ATOM 203 N LYS A 16 -1.830 13.135 1.250 1.00 0.00 N ATOM 204 CA LYS A 16 -1.183 12.887 2.527 1.00 0.00 C ATOM 205 C LYS A 16 -1.396 14.093 3.445 1.00 0.00 C ATOM 206 O LYS A 16 -1.801 15.161 2.988 1.00 0.00 O ATOM 207 CB LYS A 16 0.290 12.525 2.320 1.00 0.00 C ATOM 208 CG LYS A 16 0.860 11.824 3.555 1.00 0.00 C ATOM 209 CD LYS A 16 2.162 11.094 3.218 1.00 0.00 C ATOM 210 CE LYS A 16 3.292 11.528 4.154 1.00 0.00 C ATOM 211 NZ LYS A 16 3.446 10.559 5.263 1.00 0.00 N ATOM 0 H LYS A 16 -1.520 13.981 0.771 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.633 12.026 3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.390 11.876 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.864 13.428 2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.042 12.556 4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.130 11.114 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.011 10.018 3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.442 11.300 2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.226 11.603 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.080 12.519 4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.582 11.073 6.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.592 9.969 5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.272 9.953 5.083 1.00 0.00 H new ATOM 225 N LYS A 17 -1.116 13.881 4.722 1.00 0.00 N ATOM 226 CA LYS A 17 -1.273 14.937 5.707 1.00 0.00 C ATOM 227 C LYS A 17 0.108 15.410 6.166 1.00 0.00 C ATOM 228 O LYS A 17 1.077 14.654 6.114 1.00 0.00 O ATOM 229 CB LYS A 17 -2.174 14.472 6.853 1.00 0.00 C ATOM 230 CG LYS A 17 -2.554 15.643 7.762 1.00 0.00 C ATOM 231 CD LYS A 17 -3.551 15.202 8.835 1.00 0.00 C ATOM 232 CE LYS A 17 -4.265 16.409 9.448 1.00 0.00 C ATOM 233 NZ LYS A 17 -3.484 16.952 10.582 1.00 0.00 N ATOM 0 H LYS A 17 -0.781 12.994 5.097 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.776 15.797 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.076 14.014 6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.662 13.706 7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.659 16.046 8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.988 16.446 7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.284 14.524 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.030 14.648 9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.403 17.181 8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.258 16.117 9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.982 17.770 10.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.374 16.218 11.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.546 17.249 10.246 1.00 0.00 H new ATOM 337 N TRP A 24 -2.345 19.289 2.429 1.00 0.00 N ATOM 338 CA TRP A 24 -2.393 17.892 2.032 1.00 0.00 C ATOM 339 C TRP A 24 -1.913 17.795 0.582 1.00 0.00 C ATOM 340 O TRP A 24 -2.635 18.169 -0.340 1.00 0.00 O ATOM 341 CB TRP A 24 -3.793 17.311 2.238 1.00 0.00 C ATOM 342 CG TRP A 24 -4.213 17.204 3.705 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.179 18.159 4.645 1.00 0.00 C ATOM 344 CD2 TRP A 24 -4.734 16.032 4.367 1.00 0.00 C ATOM 345 NE1 TRP A 24 -4.638 17.690 5.859 1.00 0.00 N ATOM 346 CE2 TRP A 24 -4.987 16.356 5.685 1.00 0.00 C ATOM 347 CE3 TRP A 24 -4.984 14.741 3.869 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -5.502 15.444 6.613 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -5.499 13.841 4.810 1.00 0.00 C ATOM 350 CH2 TRP A 24 -5.759 14.152 6.140 1.00 0.00 C ATOM 0 HA TRP A 24 -1.733 17.291 2.658 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.515 17.933 1.709 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -3.834 16.320 1.786 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.836 19.169 4.474 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.708 18.224 6.725 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.794 14.465 2.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.691 15.722 7.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.709 12.835 4.479 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.157 13.400 6.805 1.00 0.00 H new ATOM 361 N LYS A 25 -0.697 17.292 0.427 1.00 0.00 N ATOM 362 CA LYS A 25 -0.112 17.142 -0.895 1.00 0.00 C ATOM 363 C LYS A 25 -0.774 15.962 -1.609 1.00 0.00 C ATOM 364 O LYS A 25 -1.011 14.918 -1.004 1.00 0.00 O ATOM 365 CB LYS A 25 1.410 17.026 -0.797 1.00 0.00 C ATOM 366 CG LYS A 25 2.065 18.409 -0.781 1.00 0.00 C ATOM 367 CD LYS A 25 1.948 19.087 -2.148 1.00 0.00 C ATOM 368 CE LYS A 25 3.254 19.787 -2.527 1.00 0.00 C ATOM 369 NZ LYS A 25 4.034 18.953 -3.470 1.00 0.00 N ATOM 0 H LYS A 25 -0.101 16.983 1.195 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.303 18.029 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.679 16.482 0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.790 16.450 -1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.592 19.031 -0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.116 18.315 -0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.696 18.345 -2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.135 19.812 -2.130 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.037 20.754 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.843 19.981 -1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.918 19.443 -3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.257 18.040 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.476 18.789 -4.332 1.00 0.00 H new ATOM 383 N ALA A 26 -1.055 16.168 -2.888 1.00 0.00 N ATOM 384 CA ALA A 26 -1.685 15.134 -3.692 1.00 0.00 C ATOM 385 C ALA A 26 -0.634 14.487 -4.596 1.00 0.00 C ATOM 386 O ALA A 26 -0.154 15.111 -5.542 1.00 0.00 O ATOM 387 CB ALA A 26 -2.844 15.740 -4.485 1.00 0.00 C ATOM 0 H ALA A 26 -0.858 17.035 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.099 14.352 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.317 14.965 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.576 16.160 -3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.466 16.527 -5.137 1.00 0.00 H new ATOM 393 N ARG A 27 -0.308 13.244 -4.275 1.00 0.00 N ATOM 394 CA ARG A 27 0.676 12.505 -5.047 1.00 0.00 C ATOM 395 C ARG A 27 0.072 11.199 -5.566 1.00 0.00 C ATOM 396 O ARG A 27 -0.958 10.746 -5.069 1.00 0.00 O ATOM 397 CB ARG A 27 1.912 12.187 -4.202 1.00 0.00 C ATOM 398 CG ARG A 27 2.284 13.370 -3.307 1.00 0.00 C ATOM 399 CD ARG A 27 3.747 13.287 -2.867 1.00 0.00 C ATOM 400 NE ARG A 27 4.119 14.504 -2.112 1.00 0.00 N ATOM 401 CZ ARG A 27 3.822 14.707 -0.821 1.00 0.00 C ATOM 402 NH1 ARG A 27 3.148 13.775 -0.134 1.00 0.00 N ATOM 403 NH2 ARG A 27 4.200 15.842 -0.217 1.00 0.00 N ATOM 0 H ARG A 27 -0.708 12.730 -3.490 1.00 0.00 H new ATOM 0 HA ARG A 27 0.975 13.130 -5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.720 11.308 -3.587 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.750 11.943 -4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.114 14.304 -3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.637 13.384 -2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.899 12.404 -2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.392 13.179 -3.739 1.00 0.00 H new ATOM 0 HE ARG A 27 4.634 15.234 -2.605 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.861 12.911 -0.594 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.922 13.930 0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.714 16.551 -0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.974 15.997 0.766 1.00 0.00 H new ATOM 417 N TRP A 28 0.739 10.629 -6.559 1.00 0.00 N ATOM 418 CA TRP A 28 0.281 9.384 -7.151 1.00 0.00 C ATOM 419 C TRP A 28 0.838 8.230 -6.316 1.00 0.00 C ATOM 420 O TRP A 28 2.050 8.112 -6.143 1.00 0.00 O ATOM 421 CB TRP A 28 0.678 9.300 -8.627 1.00 0.00 C ATOM 422 CG TRP A 28 0.132 8.066 -9.348 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.788 6.944 -9.676 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.218 7.874 -9.821 1.00 0.00 C ATOM 425 NE1 TRP A 28 -0.037 6.047 -10.323 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.295 6.630 -10.414 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.336 8.722 -9.750 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.470 6.123 -10.982 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.503 8.201 -10.322 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.598 6.951 -10.923 1.00 0.00 C ATOM 0 H TRP A 28 1.593 11.007 -6.968 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.808 9.329 -7.139 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.324 10.194 -9.140 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.765 9.300 -8.701 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.831 6.765 -9.461 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.228 5.125 -10.671 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.298 9.699 -9.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.505 5.146 -11.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.392 8.813 -10.294 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.537 6.620 -11.342 1.00 0.00 H new ATOM 441 N PHE A 29 -0.074 7.407 -5.819 1.00 0.00 N ATOM 442 CA PHE A 29 0.311 6.266 -5.006 1.00 0.00 C ATOM 443 C PHE A 29 0.137 4.958 -5.779 1.00 0.00 C ATOM 444 O PHE A 29 -0.467 4.941 -6.850 1.00 0.00 O ATOM 445 CB PHE A 29 -0.616 6.252 -3.788 1.00 0.00 C ATOM 446 CG PHE A 29 -0.140 7.136 -2.634 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.550 8.279 -2.892 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.407 6.778 -1.349 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.992 9.099 -1.820 1.00 0.00 C ATOM 450 CE2 PHE A 29 0.034 7.599 -0.277 1.00 0.00 C ATOM 451 CZ PHE A 29 0.725 8.742 -0.536 1.00 0.00 C ATOM 0 H PHE A 29 -1.079 7.508 -5.964 1.00 0.00 H new ATOM 0 HA PHE A 29 1.359 6.350 -4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.609 6.578 -4.096 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.714 5.227 -3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.762 8.563 -3.912 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.954 5.870 -1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.540 10.006 -2.025 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.179 7.316 0.743 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.061 9.366 0.279 1.00 0.00 H new ATOM 461 N VAL A 30 0.678 3.892 -5.206 1.00 0.00 N ATOM 462 CA VAL A 30 0.590 2.582 -5.828 1.00 0.00 C ATOM 463 C VAL A 30 0.260 1.537 -4.761 1.00 0.00 C ATOM 464 O VAL A 30 0.861 1.528 -3.688 1.00 0.00 O ATOM 465 CB VAL A 30 1.883 2.275 -6.586 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.057 0.769 -6.786 1.00 0.00 C ATOM 467 CG2 VAL A 30 1.923 3.015 -7.925 1.00 0.00 C ATOM 0 H VAL A 30 1.179 3.909 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.215 2.561 -6.563 1.00 0.00 H new ATOM 0 HB VAL A 30 2.718 2.631 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.984 0.579 -7.327 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.096 0.275 -5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.216 0.378 -7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.852 2.779 -8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.077 2.704 -8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.868 4.089 -7.749 1.00 0.00 H new ATOM 477 N LEU A 31 -0.695 0.680 -5.093 1.00 0.00 N ATOM 478 CA LEU A 31 -1.112 -0.367 -4.177 1.00 0.00 C ATOM 479 C LEU A 31 -0.752 -1.731 -4.770 1.00 0.00 C ATOM 480 O LEU A 31 -1.584 -2.373 -5.410 1.00 0.00 O ATOM 481 CB LEU A 31 -2.595 -0.219 -3.832 1.00 0.00 C ATOM 482 CG LEU A 31 -2.977 -0.496 -2.377 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.223 -1.989 -2.150 1.00 0.00 C ATOM 484 CD2 LEU A 31 -1.925 0.064 -1.418 1.00 0.00 C ATOM 0 H LEU A 31 -1.192 0.690 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.578 -0.279 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.906 0.796 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.165 -0.893 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.913 0.021 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.493 -2.159 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.035 -2.326 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.317 -2.547 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.221 -0.146 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.962 -0.404 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.842 1.142 -1.558 1.00 0.00 H new ATOM 496 N ASP A 32 0.488 -2.134 -4.536 1.00 0.00 N ATOM 497 CA ASP A 32 0.968 -3.410 -5.040 1.00 0.00 C ATOM 498 C ASP A 32 0.380 -4.540 -4.194 1.00 0.00 C ATOM 499 O ASP A 32 0.160 -4.374 -2.995 1.00 0.00 O ATOM 500 CB ASP A 32 2.493 -3.498 -4.952 1.00 0.00 C ATOM 501 CG ASP A 32 3.120 -4.653 -5.735 1.00 0.00 C ATOM 502 OD1 ASP A 32 2.470 -5.719 -5.792 1.00 0.00 O ATOM 503 OD2 ASP A 32 4.236 -4.445 -6.258 1.00 0.00 O ATOM 0 H ASP A 32 1.175 -1.600 -4.004 1.00 0.00 H new ATOM 0 HA ASP A 32 0.661 -3.499 -6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.917 -2.561 -5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.777 -3.593 -3.904 1.00 0.00 H new ATOM 508 N LYS A 33 0.142 -5.666 -4.851 1.00 0.00 N ATOM 509 CA LYS A 33 -0.416 -6.824 -4.174 1.00 0.00 C ATOM 510 C LYS A 33 0.665 -7.898 -4.034 1.00 0.00 C ATOM 511 O LYS A 33 0.724 -8.596 -3.023 1.00 0.00 O ATOM 512 CB LYS A 33 -1.676 -7.310 -4.894 1.00 0.00 C ATOM 513 CG LYS A 33 -1.451 -7.380 -6.406 1.00 0.00 C ATOM 514 CD LYS A 33 -2.360 -8.430 -7.047 1.00 0.00 C ATOM 515 CE LYS A 33 -2.020 -9.833 -6.540 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.079 -10.326 -5.631 1.00 0.00 N ATOM 0 H LYS A 33 0.326 -5.801 -5.845 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.735 -6.559 -3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.957 -8.294 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.506 -6.637 -4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.645 -6.405 -6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.408 -7.622 -6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.402 -8.201 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.253 -8.395 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.910 -10.514 -7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.063 -9.816 -6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.649 -10.889 -4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.587 -9.517 -5.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.747 -10.918 -6.165 1.00 0.00 H new ATOM 530 N THR A 34 1.493 -7.997 -5.064 1.00 0.00 N ATOM 531 CA THR A 34 2.568 -8.973 -5.069 1.00 0.00 C ATOM 532 C THR A 34 3.673 -8.555 -4.097 1.00 0.00 C ATOM 533 O THR A 34 4.369 -9.402 -3.540 1.00 0.00 O ATOM 534 CB THR A 34 3.055 -9.134 -6.510 1.00 0.00 C ATOM 535 OG1 THR A 34 3.722 -7.906 -6.790 1.00 0.00 O ATOM 536 CG2 THR A 34 1.903 -9.170 -7.517 1.00 0.00 C ATOM 0 H THR A 34 1.440 -7.417 -5.901 1.00 0.00 H new ATOM 0 HA THR A 34 2.221 -9.945 -4.718 1.00 0.00 H new ATOM 0 HB THR A 34 3.640 -10.050 -6.595 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.250 -7.169 -6.349 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.304 -9.286 -8.524 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.247 -10.010 -7.289 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.337 -8.240 -7.456 1.00 0.00 H new ATOM 544 N LYS A 35 3.800 -7.247 -3.924 1.00 0.00 N ATOM 545 CA LYS A 35 4.809 -6.706 -3.029 1.00 0.00 C ATOM 546 C LYS A 35 4.134 -6.201 -1.752 1.00 0.00 C ATOM 547 O LYS A 35 4.793 -6.009 -0.731 1.00 0.00 O ATOM 548 CB LYS A 35 5.645 -5.642 -3.745 1.00 0.00 C ATOM 549 CG LYS A 35 6.601 -6.283 -4.752 1.00 0.00 C ATOM 550 CD LYS A 35 8.056 -6.123 -4.306 1.00 0.00 C ATOM 551 CE LYS A 35 8.980 -7.040 -5.109 1.00 0.00 C ATOM 552 NZ LYS A 35 10.300 -6.401 -5.307 1.00 0.00 N ATOM 0 H LYS A 35 3.221 -6.547 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 35 5.512 -7.484 -2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.986 -4.941 -4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.213 -5.068 -3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.364 -7.342 -4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.465 -5.824 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.367 -5.086 -4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.142 -6.354 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.103 -7.989 -4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.529 -7.264 -6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.915 -7.037 -5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.179 -5.507 -5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.735 -6.209 -4.382 1.00 0.00 H new ATOM 566 N HIS A 36 2.828 -6.000 -1.851 1.00 0.00 N ATOM 567 CA HIS A 36 2.057 -5.521 -0.717 1.00 0.00 C ATOM 568 C HIS A 36 2.758 -4.313 -0.092 1.00 0.00 C ATOM 569 O HIS A 36 3.025 -4.299 1.109 1.00 0.00 O ATOM 570 CB HIS A 36 1.810 -6.648 0.288 1.00 0.00 C ATOM 571 CG HIS A 36 3.066 -7.353 0.740 1.00 0.00 C ATOM 572 ND1 HIS A 36 4.086 -6.931 1.542 1.00 0.00 N flip ATOM 573 CD2 HIS A 36 3.377 -8.648 0.362 1.00 0.00 C flip ATOM 574 CE1 HIS A 36 4.971 -7.914 1.649 1.00 0.00 C flip ATOM 575 NE2 HIS A 36 4.534 -8.979 0.917 1.00 0.00 N flip ATOM 0 H HIS A 36 2.285 -6.160 -2.699 1.00 0.00 H new ATOM 0 HA HIS A 36 1.074 -5.192 -1.055 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.302 -6.238 1.161 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.136 -7.379 -0.159 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.156 -6.015 1.985 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.779 -9.281 -0.277 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.886 -7.877 2.221 1.00 0.00 H new ATOM 583 N GLN A 37 3.037 -3.330 -0.935 1.00 0.00 N ATOM 584 CA GLN A 37 3.702 -2.121 -0.481 1.00 0.00 C ATOM 585 C GLN A 37 2.982 -0.883 -1.020 1.00 0.00 C ATOM 586 O GLN A 37 2.100 -0.996 -1.870 1.00 0.00 O ATOM 587 CB GLN A 37 5.176 -2.119 -0.890 1.00 0.00 C ATOM 588 CG GLN A 37 6.025 -2.902 0.113 1.00 0.00 C ATOM 589 CD GLN A 37 7.358 -3.325 -0.508 1.00 0.00 C ATOM 590 OE1 GLN A 37 7.413 -4.039 -1.495 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.426 -2.845 0.123 1.00 0.00 N ATOM 0 H GLN A 37 2.815 -3.346 -1.930 1.00 0.00 H new ATOM 0 HA GLN A 37 3.661 -2.095 0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.282 -2.558 -1.882 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.538 -1.093 -0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.209 -2.289 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.479 -3.784 0.446 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.309 -2.252 0.945 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.362 -3.070 -0.215 1.00 0.00 H new ATOM 600 N LEU A 38 3.384 0.269 -0.504 1.00 0.00 N ATOM 601 CA LEU A 38 2.788 1.526 -0.923 1.00 0.00 C ATOM 602 C LEU A 38 3.868 2.417 -1.539 1.00 0.00 C ATOM 603 O LEU A 38 4.697 2.979 -0.823 1.00 0.00 O ATOM 604 CB LEU A 38 2.041 2.179 0.241 1.00 0.00 C ATOM 605 CG LEU A 38 0.739 2.899 -0.117 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.351 2.606 0.915 1.00 0.00 C ATOM 607 CD2 LEU A 38 0.974 4.401 -0.292 1.00 0.00 C ATOM 0 H LEU A 38 4.116 0.358 0.201 1.00 0.00 H new ATOM 0 HA LEU A 38 2.038 1.354 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.816 1.410 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.709 2.895 0.720 1.00 0.00 H new ATOM 0 HG LEU A 38 0.388 2.514 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.266 3.130 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.543 1.533 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.023 2.946 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.033 4.889 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.361 4.819 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.696 4.566 -1.092 1.00 0.00 H new ATOM 619 N ARG A 39 3.825 2.520 -2.859 1.00 0.00 N ATOM 620 CA ARG A 39 4.790 3.334 -3.578 1.00 0.00 C ATOM 621 C ARG A 39 4.114 4.587 -4.138 1.00 0.00 C ATOM 622 O ARG A 39 3.139 4.492 -4.882 1.00 0.00 O ATOM 623 CB ARG A 39 5.424 2.548 -4.728 1.00 0.00 C ATOM 624 CG ARG A 39 6.288 1.402 -4.197 1.00 0.00 C ATOM 625 CD ARG A 39 5.922 0.081 -4.876 1.00 0.00 C ATOM 626 NE ARG A 39 7.013 -0.341 -5.783 1.00 0.00 N ATOM 627 CZ ARG A 39 7.167 0.111 -7.035 1.00 0.00 C ATOM 628 NH1 ARG A 39 6.301 1.003 -7.536 1.00 0.00 N ATOM 629 NH2 ARG A 39 8.186 -0.327 -7.786 1.00 0.00 N ATOM 0 H ARG A 39 3.137 2.053 -3.450 1.00 0.00 H new ATOM 0 HA ARG A 39 5.571 3.622 -2.875 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.643 2.150 -5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.033 3.216 -5.337 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.341 1.625 -4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.155 1.310 -3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.746 -0.688 -4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.995 0.196 -5.438 1.00 0.00 H new ATOM 0 HE ARG A 39 7.690 -1.019 -5.433 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.525 1.337 -6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.418 1.347 -8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.846 -1.005 -7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.302 0.018 -8.739 1.00 0.00 H new ATOM 643 N TYR A 40 4.659 5.734 -3.759 1.00 0.00 N ATOM 644 CA TYR A 40 4.121 7.005 -4.214 1.00 0.00 C ATOM 645 C TYR A 40 5.193 7.829 -4.931 1.00 0.00 C ATOM 646 O TYR A 40 6.324 7.927 -4.458 1.00 0.00 O ATOM 647 CB TYR A 40 3.679 7.751 -2.954 1.00 0.00 C ATOM 648 CG TYR A 40 4.818 8.051 -1.977 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.144 7.138 -0.995 1.00 0.00 C ATOM 650 CD2 TYR A 40 5.519 9.236 -2.077 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.216 7.420 -0.076 1.00 0.00 C ATOM 652 CE2 TYR A 40 6.590 9.518 -1.158 1.00 0.00 C ATOM 653 CZ TYR A 40 6.886 8.597 -0.203 1.00 0.00 C ATOM 654 OH TYR A 40 7.898 8.864 0.666 1.00 0.00 O ATOM 0 H TYR A 40 5.468 5.810 -3.142 1.00 0.00 H new ATOM 0 HA TYR A 40 3.301 6.846 -4.915 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.208 8.690 -3.246 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.920 7.160 -2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.595 6.211 -0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.264 9.951 -2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.482 6.713 0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.146 10.441 -1.226 1.00 0.00 H new ATOM 0 HH TYR A 40 8.287 9.739 0.456 1.00 0.00 H new ATOM 664 N TYR A 41 4.799 8.399 -6.059 1.00 0.00 N ATOM 665 CA TYR A 41 5.711 9.212 -6.846 1.00 0.00 C ATOM 666 C TYR A 41 5.301 10.685 -6.813 1.00 0.00 C ATOM 667 O TYR A 41 4.113 11.002 -6.807 1.00 0.00 O ATOM 668 CB TYR A 41 5.603 8.696 -8.283 1.00 0.00 C ATOM 669 CG TYR A 41 5.861 7.195 -8.426 1.00 0.00 C ATOM 670 CD1 TYR A 41 4.918 6.288 -7.988 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.037 6.748 -8.994 1.00 0.00 C ATOM 672 CE1 TYR A 41 5.161 4.875 -8.124 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.280 5.335 -9.129 1.00 0.00 C ATOM 674 CZ TYR A 41 6.330 4.468 -8.687 1.00 0.00 C ATOM 675 OH TYR A 41 6.559 3.134 -8.815 1.00 0.00 O ATOM 0 H TYR A 41 3.860 8.314 -6.448 1.00 0.00 H new ATOM 0 HA TYR A 41 6.725 9.142 -6.452 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.607 8.921 -8.665 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.314 9.238 -8.907 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.998 6.638 -7.543 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.775 7.458 -9.337 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.431 4.154 -7.786 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.196 4.972 -9.571 1.00 0.00 H new ATOM 0 HH TYR A 41 7.433 2.991 -9.235 1.00 0.00 H new ATOM 836 N VAL A 52 8.405 4.045 0.340 1.00 0.00 N ATOM 837 CA VAL A 52 7.640 2.809 0.334 1.00 0.00 C ATOM 838 C VAL A 52 6.986 2.613 1.704 1.00 0.00 C ATOM 839 O VAL A 52 7.473 3.132 2.708 1.00 0.00 O ATOM 840 CB VAL A 52 8.538 1.640 -0.072 1.00 0.00 C ATOM 841 CG1 VAL A 52 7.992 0.316 0.466 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.712 1.584 -1.591 1.00 0.00 C ATOM 0 HA VAL A 52 6.840 2.858 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 52 9.520 1.803 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.650 -0.499 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.944 0.358 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.993 0.145 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.355 0.744 -1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.738 1.457 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.167 2.511 -1.940 1.00 0.00 H new ATOM 852 N ILE A 53 5.894 1.864 1.701 1.00 0.00 N ATOM 853 CA ILE A 53 5.169 1.593 2.930 1.00 0.00 C ATOM 854 C ILE A 53 4.772 0.116 2.969 1.00 0.00 C ATOM 855 O ILE A 53 3.783 -0.281 2.355 1.00 0.00 O ATOM 856 CB ILE A 53 3.985 2.551 3.077 1.00 0.00 C ATOM 857 CG1 ILE A 53 4.281 3.895 2.407 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.592 2.717 4.546 1.00 0.00 C ATOM 859 CD1 ILE A 53 3.080 4.836 2.512 1.00 0.00 C ATOM 0 H ILE A 53 5.493 1.436 0.866 1.00 0.00 H new ATOM 0 HA ILE A 53 5.807 1.775 3.795 1.00 0.00 H new ATOM 0 HB ILE A 53 3.128 2.116 2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.150 4.356 2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.532 3.735 1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.748 3.403 4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.310 1.748 4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.437 3.118 5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.317 5.784 2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.219 4.383 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.847 5.013 3.562 1.00 0.00 H new ATOM 871 N ASP A 54 5.565 -0.658 3.695 1.00 0.00 N ATOM 872 CA ASP A 54 5.309 -2.083 3.822 1.00 0.00 C ATOM 873 C ASP A 54 3.903 -2.296 4.385 1.00 0.00 C ATOM 874 O ASP A 54 3.672 -2.103 5.578 1.00 0.00 O ATOM 875 CB ASP A 54 6.306 -2.739 4.779 1.00 0.00 C ATOM 876 CG ASP A 54 6.490 -4.246 4.589 1.00 0.00 C ATOM 877 OD1 ASP A 54 5.820 -4.789 3.684 1.00 0.00 O ATOM 878 OD2 ASP A 54 7.296 -4.820 5.352 1.00 0.00 O ATOM 0 H ASP A 54 6.385 -0.325 4.202 1.00 0.00 H new ATOM 0 HA ASP A 54 5.409 -2.533 2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.274 -2.252 4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.979 -2.554 5.802 1.00 0.00 H new ATOM 883 N LEU A 55 2.999 -2.692 3.500 1.00 0.00 N ATOM 884 CA LEU A 55 1.622 -2.933 3.894 1.00 0.00 C ATOM 885 C LEU A 55 1.588 -4.012 4.979 1.00 0.00 C ATOM 886 O LEU A 55 0.654 -4.065 5.778 1.00 0.00 O ATOM 887 CB LEU A 55 0.764 -3.264 2.671 1.00 0.00 C ATOM 888 CG LEU A 55 0.712 -2.194 1.579 1.00 0.00 C ATOM 889 CD1 LEU A 55 0.013 -2.723 0.326 1.00 0.00 C ATOM 890 CD2 LEU A 55 0.062 -0.910 2.100 1.00 0.00 C ATOM 0 H LEU A 55 3.194 -2.852 2.512 1.00 0.00 H new ATOM 0 HA LEU A 55 1.186 -2.032 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.137 -4.188 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.254 -3.460 3.008 1.00 0.00 H new ATOM 0 HG LEU A 55 1.735 -1.945 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.010 -1.943 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.557 -3.587 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.006 -3.018 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.038 -0.166 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.955 -1.124 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.640 -0.524 2.940 1.00 0.00 H new ATOM 902 N ALA A 56 2.617 -4.845 4.972 1.00 0.00 N ATOM 903 CA ALA A 56 2.717 -5.920 5.946 1.00 0.00 C ATOM 904 C ALA A 56 2.931 -5.322 7.338 1.00 0.00 C ATOM 905 O ALA A 56 2.730 -5.999 8.345 1.00 0.00 O ATOM 906 CB ALA A 56 3.844 -6.873 5.541 1.00 0.00 C ATOM 0 H ALA A 56 3.390 -4.798 4.308 1.00 0.00 H new ATOM 0 HA ALA A 56 1.794 -6.500 5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.919 -7.679 6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.630 -7.293 4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.787 -6.327 5.505 1.00 0.00 H new ATOM 912 N GLU A 57 3.335 -4.061 7.350 1.00 0.00 N ATOM 913 CA GLU A 57 3.578 -3.364 8.602 1.00 0.00 C ATOM 914 C GLU A 57 2.302 -2.666 9.078 1.00 0.00 C ATOM 915 O GLU A 57 2.188 -2.303 10.247 1.00 0.00 O ATOM 916 CB GLU A 57 4.728 -2.366 8.460 1.00 0.00 C ATOM 917 CG GLU A 57 6.075 -3.088 8.391 1.00 0.00 C ATOM 918 CD GLU A 57 7.233 -2.088 8.355 1.00 0.00 C ATOM 919 OE1 GLU A 57 7.062 -1.047 7.686 1.00 0.00 O ATOM 920 OE2 GLU A 57 8.262 -2.388 8.998 1.00 0.00 O ATOM 0 H GLU A 57 3.500 -3.503 6.512 1.00 0.00 H new ATOM 0 HA GLU A 57 3.869 -4.099 9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.586 -1.767 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.723 -1.678 9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.184 -3.745 9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.108 -3.720 7.503 1.00 0.00 H new ATOM 927 N VAL A 58 1.374 -2.501 8.146 1.00 0.00 N ATOM 928 CA VAL A 58 0.111 -1.853 8.456 1.00 0.00 C ATOM 929 C VAL A 58 -0.661 -2.705 9.465 1.00 0.00 C ATOM 930 O VAL A 58 -0.943 -3.875 9.208 1.00 0.00 O ATOM 931 CB VAL A 58 -0.674 -1.594 7.168 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.123 -1.214 7.476 1.00 0.00 C ATOM 933 CG2 VAL A 58 0.007 -0.519 6.318 1.00 0.00 C ATOM 0 H VAL A 58 1.472 -2.805 7.177 1.00 0.00 H new ATOM 0 HA VAL A 58 0.284 -0.881 8.917 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.686 -2.519 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.658 -1.035 6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.604 -2.026 8.021 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.141 -0.309 8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.571 -0.354 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.065 0.410 6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.013 -0.847 6.054 1.00 0.00 H new ATOM 943 N GLU A 59 -0.981 -2.087 10.592 1.00 0.00 N ATOM 944 CA GLU A 59 -1.714 -2.774 11.641 1.00 0.00 C ATOM 945 C GLU A 59 -3.207 -2.813 11.307 1.00 0.00 C ATOM 946 O GLU A 59 -3.905 -3.757 11.673 1.00 0.00 O ATOM 947 CB GLU A 59 -1.474 -2.115 13.001 1.00 0.00 C ATOM 948 CG GLU A 59 -0.019 -2.286 13.442 1.00 0.00 C ATOM 949 CD GLU A 59 0.214 -1.658 14.818 1.00 0.00 C ATOM 950 OE1 GLU A 59 0.486 -0.438 14.847 1.00 0.00 O ATOM 951 OE2 GLU A 59 0.114 -2.412 15.810 1.00 0.00 O ATOM 0 H GLU A 59 -0.746 -1.117 10.802 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.348 -3.799 11.701 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.718 -1.054 12.944 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.138 -2.555 13.745 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.233 -3.346 13.475 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.643 -1.824 12.710 1.00 0.00 H new ATOM 958 N ALA A 60 -3.653 -1.774 10.616 1.00 0.00 N ATOM 959 CA ALA A 60 -5.050 -1.677 10.228 1.00 0.00 C ATOM 960 C ALA A 60 -5.366 -0.234 9.830 1.00 0.00 C ATOM 961 O ALA A 60 -4.631 0.686 10.184 1.00 0.00 O ATOM 962 CB ALA A 60 -5.934 -2.172 11.375 1.00 0.00 C ATOM 0 H ALA A 60 -3.071 -0.992 10.315 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.253 -2.309 9.363 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.982 -2.099 11.084 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.691 -3.211 11.600 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.760 -1.559 12.259 1.00 0.00 H new ATOM 968 N VAL A 61 -6.459 -0.082 9.098 1.00 0.00 N ATOM 969 CA VAL A 61 -6.881 1.234 8.647 1.00 0.00 C ATOM 970 C VAL A 61 -8.319 1.487 9.102 1.00 0.00 C ATOM 971 O VAL A 61 -9.079 0.546 9.325 1.00 0.00 O ATOM 972 CB VAL A 61 -6.705 1.349 7.131 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.771 -0.027 6.465 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.741 2.300 6.530 1.00 0.00 C ATOM 0 H VAL A 61 -7.066 -0.848 8.806 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.257 2.009 9.093 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.716 1.766 6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.643 0.083 5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.978 -0.661 6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.739 -0.485 6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.594 2.364 5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.743 1.925 6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.625 3.290 6.971 1.00 0.00 H new ATOM 984 N ALA A 62 -8.650 2.764 9.228 1.00 0.00 N ATOM 985 CA ALA A 62 -9.984 3.153 9.653 1.00 0.00 C ATOM 986 C ALA A 62 -10.416 4.402 8.882 1.00 0.00 C ATOM 987 O ALA A 62 -9.596 5.271 8.590 1.00 0.00 O ATOM 988 CB ALA A 62 -9.994 3.370 11.167 1.00 0.00 C ATOM 0 H ALA A 62 -8.017 3.542 9.043 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.703 2.364 9.432 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.995 3.662 11.486 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.708 2.446 11.669 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.286 4.157 11.426 1.00 0.00 H new ATOM 994 N PRO A 63 -11.738 4.454 8.566 1.00 0.00 N ATOM 995 CA PRO A 63 -12.289 5.582 7.835 1.00 0.00 C ATOM 996 C PRO A 63 -12.421 6.810 8.738 1.00 0.00 C ATOM 997 O PRO A 63 -13.469 7.029 9.345 1.00 0.00 O ATOM 998 CB PRO A 63 -13.625 5.091 7.301 1.00 0.00 C ATOM 999 CG PRO A 63 -13.984 3.873 8.136 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.739 3.444 8.895 1.00 0.00 C ATOM 0 HA PRO A 63 -11.645 5.908 7.019 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.389 5.864 7.389 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.553 4.833 6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.791 4.110 8.829 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.340 3.064 7.498 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.924 3.404 9.969 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.413 2.449 8.591 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.344 7.578 8.800 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.326 8.778 9.620 1.00 0.00 C ATOM 1010 C GLY A 64 -12.169 9.887 8.986 1.00 0.00 C ATOM 1011 O GLY A 64 -12.747 9.699 7.917 1.00 0.00 O ATOM 0 H GLY A 64 -10.477 7.393 8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.708 8.549 10.615 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.299 9.123 9.745 1.00 0.00 H new ATOM 1015 N THR A 65 -12.212 11.019 9.673 1.00 0.00 N ATOM 1016 CA THR A 65 -12.974 12.159 9.191 1.00 0.00 C ATOM 1017 C THR A 65 -12.036 13.227 8.627 1.00 0.00 C ATOM 1018 O THR A 65 -10.861 13.281 8.987 1.00 0.00 O ATOM 1019 CB THR A 65 -13.848 12.663 10.341 1.00 0.00 C ATOM 1020 OG1 THR A 65 -13.020 12.526 11.493 1.00 0.00 O ATOM 1021 CG2 THR A 65 -15.035 11.740 10.623 1.00 0.00 C ATOM 0 H THR A 65 -11.732 11.171 10.560 1.00 0.00 H new ATOM 0 HA THR A 65 -13.628 11.878 8.366 1.00 0.00 H new ATOM 0 HB THR A 65 -14.214 13.663 10.107 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.509 12.832 12.285 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.622 12.144 11.448 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.660 11.669 9.733 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.669 10.748 10.890 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.604 14.074 7.727 1.00 0.00 N ATOM 1030 CA PRO A 66 -11.832 15.138 7.109 1.00 0.00 C ATOM 1031 C PRO A 66 -11.596 16.286 8.092 1.00 0.00 C ATOM 1032 O PRO A 66 -12.519 17.033 8.414 1.00 0.00 O ATOM 1033 CB PRO A 66 -12.641 15.556 5.892 1.00 0.00 C ATOM 1034 CG PRO A 66 -14.050 15.038 6.130 1.00 0.00 C ATOM 1035 CD PRO A 66 -13.993 14.041 7.276 1.00 0.00 C ATOM 0 HA PRO A 66 -10.833 14.816 6.815 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.638 16.640 5.774 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.219 15.135 4.979 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.723 15.860 6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.439 14.563 5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.677 14.320 8.078 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.279 13.042 6.947 1.00 0.00 H new ATOM 1043 N THR A 67 -10.354 16.391 8.543 1.00 0.00 N ATOM 1044 CA THR A 67 -9.985 17.435 9.483 1.00 0.00 C ATOM 1045 C THR A 67 -9.697 18.743 8.742 1.00 0.00 C ATOM 1046 O THR A 67 -9.812 18.805 7.519 1.00 0.00 O ATOM 1047 CB THR A 67 -8.800 16.931 10.309 1.00 0.00 C ATOM 1048 OG1 THR A 67 -7.740 16.819 9.362 1.00 0.00 O ATOM 1049 CG2 THR A 67 -9.003 15.500 10.812 1.00 0.00 C ATOM 0 H THR A 67 -9.591 15.770 8.274 1.00 0.00 H new ATOM 0 HA THR A 67 -10.804 17.659 10.166 1.00 0.00 H new ATOM 0 HB THR A 67 -8.641 17.595 11.159 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.428 15.891 9.328 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.133 15.191 11.392 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.892 15.458 11.441 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.128 14.830 9.962 1.00 0.00 H new ATOM 1057 N ILE A 68 -9.328 19.754 9.514 1.00 0.00 N ATOM 1058 CA ILE A 68 -9.023 21.056 8.947 1.00 0.00 C ATOM 1059 C ILE A 68 -7.733 20.962 8.129 1.00 0.00 C ATOM 1060 O ILE A 68 -6.741 20.400 8.591 1.00 0.00 O ATOM 1061 CB ILE A 68 -8.979 22.122 10.043 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -10.383 22.428 10.568 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -8.263 23.383 9.555 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -10.385 22.545 12.093 1.00 0.00 C ATOM 0 H ILE A 68 -9.233 19.698 10.528 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.813 21.367 8.264 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.401 21.727 10.879 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.745 23.357 10.128 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.070 21.640 10.259 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.246 24.124 10.354 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.241 23.134 9.270 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.791 23.791 8.693 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.395 22.763 12.440 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.046 21.606 12.530 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.716 23.350 12.397 1.00 0.00 H new ATOM 1076 N GLY A 69 -7.789 21.520 6.929 1.00 0.00 N ATOM 1077 CA GLY A 69 -6.637 21.506 6.042 1.00 0.00 C ATOM 1078 C GLY A 69 -6.863 20.554 4.866 1.00 0.00 C ATOM 1079 O GLY A 69 -6.416 20.822 3.751 1.00 0.00 O ATOM 0 H GLY A 69 -8.614 21.985 6.550 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.449 22.513 5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.750 21.200 6.597 1.00 0.00 H new ATOM 1083 N ALA A 70 -7.556 19.462 5.154 1.00 0.00 N ATOM 1084 CA ALA A 70 -7.847 18.469 4.133 1.00 0.00 C ATOM 1085 C ALA A 70 -8.664 19.118 3.015 1.00 0.00 C ATOM 1086 O ALA A 70 -9.207 20.208 3.190 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.569 17.280 4.769 1.00 0.00 C ATOM 0 H ALA A 70 -7.925 19.243 6.080 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.925 18.091 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.787 16.535 4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.934 16.837 5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.501 17.620 5.221 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.729 18.401 1.861 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.472 18.896 0.714 1.00 0.00 C ATOM 1095 C PRO A 71 -10.979 18.747 0.931 1.00 0.00 C ATOM 1096 O PRO A 71 -11.459 17.663 1.259 1.00 0.00 O ATOM 1097 CB PRO A 71 -8.959 18.086 -0.466 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.293 16.857 0.131 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.100 17.107 1.618 1.00 0.00 C ATOM 0 HA PRO A 71 -9.322 19.962 0.544 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.776 17.804 -1.131 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.251 18.665 -1.059 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.909 15.973 -0.030 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.334 16.670 -0.352 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.565 16.322 2.215 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.043 17.125 1.883 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.684 19.853 0.740 1.00 0.00 N ATOM 1108 CA LYS A 72 -13.127 19.860 0.911 1.00 0.00 C ATOM 1109 C LYS A 72 -13.768 18.982 -0.166 1.00 0.00 C ATOM 1110 O LYS A 72 -14.614 18.142 0.136 1.00 0.00 O ATOM 1111 CB LYS A 72 -13.657 21.295 0.932 1.00 0.00 C ATOM 1112 CG LYS A 72 -13.427 21.945 2.298 1.00 0.00 C ATOM 1113 CD LYS A 72 -12.047 22.601 2.367 1.00 0.00 C ATOM 1114 CE LYS A 72 -11.997 23.866 1.508 1.00 0.00 C ATOM 1115 NZ LYS A 72 -12.425 25.044 2.295 1.00 0.00 N ATOM 0 H LYS A 72 -11.282 20.750 0.468 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.399 19.431 1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.161 21.881 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.722 21.297 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.199 22.692 2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.516 21.193 3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.810 22.850 3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.288 21.896 2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.985 24.019 1.134 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.643 23.748 0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.385 25.894 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.399 24.902 2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.792 25.165 3.111 1.00 0.00 H new ATOM 1129 N THR A 73 -13.340 19.208 -1.399 1.00 0.00 N ATOM 1130 CA THR A 73 -13.862 18.449 -2.523 1.00 0.00 C ATOM 1131 C THR A 73 -14.103 16.993 -2.117 1.00 0.00 C ATOM 1132 O THR A 73 -15.213 16.481 -2.259 1.00 0.00 O ATOM 1133 CB THR A 73 -12.884 18.599 -3.690 1.00 0.00 C ATOM 1134 OG1 THR A 73 -11.618 18.267 -3.128 1.00 0.00 O ATOM 1135 CG2 THR A 73 -12.724 20.054 -4.135 1.00 0.00 C ATOM 0 H THR A 73 -12.638 19.906 -1.645 1.00 0.00 H new ATOM 0 HA THR A 73 -14.832 18.831 -2.841 1.00 0.00 H new ATOM 0 HB THR A 73 -13.228 17.997 -4.531 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.925 18.337 -3.818 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.020 20.105 -4.965 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.690 20.445 -4.454 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.348 20.650 -3.303 1.00 0.00 H new ATOM 1143 N VAL A 74 -13.047 16.368 -1.619 1.00 0.00 N ATOM 1144 CA VAL A 74 -13.130 14.982 -1.191 1.00 0.00 C ATOM 1145 C VAL A 74 -14.160 14.861 -0.066 1.00 0.00 C ATOM 1146 O VAL A 74 -14.395 15.818 0.670 1.00 0.00 O ATOM 1147 CB VAL A 74 -11.744 14.474 -0.790 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.794 12.997 -0.395 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -10.728 14.708 -1.910 1.00 0.00 C ATOM 0 H VAL A 74 -12.129 16.796 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 74 -13.468 14.349 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.419 15.043 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.796 12.661 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.471 12.869 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.151 12.407 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.751 14.338 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.048 14.178 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.660 15.775 -2.123 1.00 0.00 H new ATOM 1159 N ASP A 75 -14.746 13.677 0.031 1.00 0.00 N ATOM 1160 CA ASP A 75 -15.745 13.418 1.054 1.00 0.00 C ATOM 1161 C ASP A 75 -15.120 12.580 2.171 1.00 0.00 C ATOM 1162 O ASP A 75 -14.154 11.854 1.941 1.00 0.00 O ATOM 1163 CB ASP A 75 -16.929 12.636 0.482 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.307 13.189 0.850 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -18.817 12.781 1.916 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -18.820 14.008 0.057 1.00 0.00 O ATOM 0 H ASP A 75 -14.548 12.886 -0.582 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.096 14.378 1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.841 12.615 -0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.864 11.604 0.827 1.00 0.00 H new ATOM 1171 N GLU A 76 -15.696 12.709 3.357 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.208 11.973 4.511 1.00 0.00 C ATOM 1173 C GLU A 76 -15.096 10.483 4.181 1.00 0.00 C ATOM 1174 O GLU A 76 -14.266 9.778 4.752 1.00 0.00 O ATOM 1175 CB GLU A 76 -16.108 12.199 5.727 1.00 0.00 C ATOM 1176 CG GLU A 76 -17.561 11.843 5.408 1.00 0.00 C ATOM 1177 CD GLU A 76 -18.413 11.825 6.678 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -18.267 10.849 7.446 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -19.192 12.788 6.854 1.00 0.00 O ATOM 0 H GLU A 76 -16.497 13.313 3.544 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.215 12.346 4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.756 11.593 6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.046 13.241 6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.970 12.566 4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.602 10.867 4.924 1.00 0.00 H new ATOM 1186 N LYS A 77 -15.945 10.048 3.261 1.00 0.00 N ATOM 1187 CA LYS A 77 -15.952 8.655 2.848 1.00 0.00 C ATOM 1188 C LYS A 77 -14.645 8.337 2.119 1.00 0.00 C ATOM 1189 O LYS A 77 -14.355 7.176 1.834 1.00 0.00 O ATOM 1190 CB LYS A 77 -17.205 8.346 2.027 1.00 0.00 C ATOM 1191 CG LYS A 77 -18.469 8.779 2.772 1.00 0.00 C ATOM 1192 CD LYS A 77 -19.699 8.683 1.866 1.00 0.00 C ATOM 1193 CE LYS A 77 -20.058 7.223 1.582 1.00 0.00 C ATOM 1194 NZ LYS A 77 -21.460 6.949 1.968 1.00 0.00 N ATOM 0 H LYS A 77 -16.633 10.636 2.790 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.000 8.000 3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.151 8.859 1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.251 7.278 1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.611 8.151 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.353 9.803 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.544 9.183 2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.505 9.203 0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.918 7.007 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.387 6.564 2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.687 5.954 1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.583 7.135 2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.097 7.565 1.423 1.00 0.00 H new ATOM 1208 N ALA A 78 -13.890 9.389 1.838 1.00 0.00 N ATOM 1209 CA ALA A 78 -12.621 9.236 1.147 1.00 0.00 C ATOM 1210 C ALA A 78 -11.479 9.576 2.107 1.00 0.00 C ATOM 1211 O ALA A 78 -10.445 10.094 1.689 1.00 0.00 O ATOM 1212 CB ALA A 78 -12.611 10.116 -0.105 1.00 0.00 C ATOM 0 H ALA A 78 -14.133 10.351 2.076 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.483 8.205 0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -11.659 10.001 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -13.423 9.816 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -12.744 11.159 0.182 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.705 9.270 3.376 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.708 9.536 4.399 1.00 0.00 C ATOM 1220 C PHE A 79 -10.490 8.308 5.286 1.00 0.00 C ATOM 1221 O PHE A 79 -11.359 7.949 6.079 1.00 0.00 O ATOM 1222 CB PHE A 79 -11.244 10.682 5.259 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.896 12.074 4.727 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -11.616 12.613 3.707 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -9.866 12.773 5.275 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -11.293 13.904 3.214 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -9.542 14.065 4.782 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.263 14.603 3.762 1.00 0.00 C ATOM 0 H PHE A 79 -12.564 8.840 3.719 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.755 9.788 3.933 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -12.328 10.592 5.331 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.848 10.581 6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.434 12.058 3.272 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.294 12.345 6.085 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.865 14.331 2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.724 14.620 5.217 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.018 15.586 3.387 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.326 7.698 5.121 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.983 6.517 5.896 1.00 0.00 C ATOM 1240 C PHE A 80 -7.543 6.595 6.406 1.00 0.00 C ATOM 1241 O PHE A 80 -6.619 6.836 5.631 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.117 5.314 4.961 1.00 0.00 C ATOM 1243 CG PHE A 80 -8.104 5.301 3.814 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.347 6.018 2.684 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -6.960 4.574 3.925 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.407 6.006 1.620 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -6.020 4.563 2.861 1.00 0.00 C ATOM 1248 CZ PHE A 80 -6.263 5.279 1.731 1.00 0.00 C ATOM 0 H PHE A 80 -8.608 7.999 4.462 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.642 6.435 6.761 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.003 4.400 5.543 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.124 5.302 4.543 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.255 6.596 2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.767 4.005 4.822 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.600 6.574 0.722 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.112 3.986 2.949 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.548 5.270 0.922 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.397 6.387 7.706 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.085 6.431 8.329 1.00 0.00 C ATOM 1260 C ASP A 81 -5.435 5.048 8.237 1.00 0.00 C ATOM 1261 O ASP A 81 -6.111 4.031 8.377 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.189 6.807 9.808 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.380 8.038 10.221 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -4.283 8.214 9.648 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -5.876 8.774 11.101 1.00 0.00 O ATOM 0 H ASP A 81 -8.166 6.187 8.346 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.490 7.181 7.808 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.237 6.982 10.050 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.861 5.958 10.407 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.132 5.057 8.002 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.383 3.816 7.889 1.00 0.00 C ATOM 1272 C VAL A 82 -2.439 3.686 9.086 1.00 0.00 C ATOM 1273 O VAL A 82 -1.470 4.434 9.201 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.655 3.764 6.545 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.616 2.642 6.527 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.647 3.611 5.390 1.00 0.00 C ATOM 0 H VAL A 82 -3.575 5.904 7.887 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.057 2.959 7.911 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.129 4.709 6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.113 2.627 5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.882 2.813 7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.111 1.685 6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.104 3.577 4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.213 2.688 5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.332 4.459 5.384 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.754 2.729 9.946 1.00 0.00 N ATOM 1287 CA LYS A 83 -1.946 2.490 11.130 1.00 0.00 C ATOM 1288 C LYS A 83 -0.824 1.508 10.787 1.00 0.00 C ATOM 1289 O LYS A 83 -1.086 0.394 10.337 1.00 0.00 O ATOM 1290 CB LYS A 83 -2.825 2.036 12.297 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.700 3.184 12.804 1.00 0.00 C ATOM 1292 CD LYS A 83 -5.177 2.786 12.812 1.00 0.00 C ATOM 1293 CE LYS A 83 -6.001 3.755 13.663 1.00 0.00 C ATOM 1294 NZ LYS A 83 -5.759 3.516 15.103 1.00 0.00 N ATOM 0 H LYS A 83 -3.558 2.109 9.847 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.472 3.414 11.460 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.456 1.206 11.980 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.197 1.667 13.108 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.390 3.465 13.811 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.559 4.060 12.171 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.560 2.776 11.792 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.283 1.774 13.202 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.740 4.783 13.410 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.061 3.632 13.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.506 3.977 15.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.767 2.493 15.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.834 3.910 15.370 1.00 0.00 H new ATOM 1308 N THR A 84 0.402 1.958 11.011 1.00 0.00 N ATOM 1309 CA THR A 84 1.565 1.133 10.731 1.00 0.00 C ATOM 1310 C THR A 84 2.473 1.057 11.960 1.00 0.00 C ATOM 1311 O THR A 84 2.078 1.457 13.054 1.00 0.00 O ATOM 1312 CB THR A 84 2.262 1.703 9.494 1.00 0.00 C ATOM 1313 OG1 THR A 84 2.102 3.113 9.624 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.525 1.362 8.197 1.00 0.00 C ATOM 0 H THR A 84 0.615 2.883 11.383 1.00 0.00 H new ATOM 0 HA THR A 84 1.278 0.104 10.514 1.00 0.00 H new ATOM 0 HB THR A 84 3.281 1.320 9.443 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.281 3.379 10.550 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.062 1.790 7.350 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.472 0.279 8.083 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.516 1.773 8.233 1.00 0.00 H new ATOM 1322 N THR A 85 3.673 0.541 11.738 1.00 0.00 N ATOM 1323 CA THR A 85 4.641 0.407 12.813 1.00 0.00 C ATOM 1324 C THR A 85 5.386 1.726 13.027 1.00 0.00 C ATOM 1325 O THR A 85 5.586 2.154 14.163 1.00 0.00 O ATOM 1326 CB THR A 85 5.565 -0.765 12.475 1.00 0.00 C ATOM 1327 OG1 THR A 85 6.296 -0.314 11.338 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.798 -1.986 11.965 1.00 0.00 C ATOM 0 H THR A 85 3.997 0.211 10.829 1.00 0.00 H new ATOM 0 HA THR A 85 4.150 0.189 13.762 1.00 0.00 H new ATOM 0 HB THR A 85 6.140 -1.041 13.359 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.921 -1.013 11.053 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.500 -2.789 11.740 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.097 -2.321 12.730 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.249 -1.720 11.062 1.00 0.00 H new ATOM 1336 N ARG A 86 5.777 2.334 11.917 1.00 0.00 N ATOM 1337 CA ARG A 86 6.496 3.596 11.968 1.00 0.00 C ATOM 1338 C ARG A 86 5.644 4.665 12.655 1.00 0.00 C ATOM 1339 O ARG A 86 5.979 5.124 13.746 1.00 0.00 O ATOM 1340 CB ARG A 86 6.868 4.075 10.563 1.00 0.00 C ATOM 1341 CG ARG A 86 8.316 3.714 10.226 1.00 0.00 C ATOM 1342 CD ARG A 86 9.279 4.801 10.708 1.00 0.00 C ATOM 1343 NE ARG A 86 10.576 4.675 10.006 1.00 0.00 N ATOM 1344 CZ ARG A 86 10.754 4.938 8.704 1.00 0.00 C ATOM 1345 NH1 ARG A 86 9.719 5.341 7.955 1.00 0.00 N ATOM 1346 NH2 ARG A 86 11.967 4.796 8.152 1.00 0.00 N ATOM 0 H ARG A 86 5.610 1.976 10.977 1.00 0.00 H new ATOM 0 HA ARG A 86 7.411 3.434 12.538 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.197 3.624 9.832 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.733 5.155 10.495 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.575 2.762 10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.420 3.582 9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.850 5.786 10.524 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.429 4.715 11.784 1.00 0.00 H new ATOM 0 HE ARG A 86 11.385 4.369 10.547 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.796 5.448 8.376 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.854 5.541 6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.754 4.488 8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.103 4.996 7.161 1.00 0.00 H new ATOM 1360 N ARG A 87 4.559 5.030 11.988 1.00 0.00 N ATOM 1361 CA ARG A 87 3.656 6.036 12.521 1.00 0.00 C ATOM 1362 C ARG A 87 2.279 5.914 11.866 1.00 0.00 C ATOM 1363 O ARG A 87 2.030 4.980 11.105 1.00 0.00 O ATOM 1364 CB ARG A 87 4.202 7.446 12.285 1.00 0.00 C ATOM 1365 CG ARG A 87 4.451 7.696 10.797 1.00 0.00 C ATOM 1366 CD ARG A 87 5.862 8.240 10.560 1.00 0.00 C ATOM 1367 NE ARG A 87 5.900 9.017 9.301 1.00 0.00 N ATOM 1368 CZ ARG A 87 5.285 10.194 9.126 1.00 0.00 C ATOM 1369 NH1 ARG A 87 4.579 10.737 10.128 1.00 0.00 N ATOM 1370 NH2 ARG A 87 5.374 10.828 7.949 1.00 0.00 N ATOM 0 H ARG A 87 4.285 4.647 11.083 1.00 0.00 H new ATOM 0 HA ARG A 87 3.568 5.867 13.594 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.495 8.182 12.668 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.131 7.578 12.840 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.317 6.768 10.241 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.716 8.404 10.416 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.162 8.872 11.396 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.575 7.417 10.511 1.00 0.00 H new ATOM 0 HE ARG A 87 6.428 8.632 8.517 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.510 10.254 11.024 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.111 11.633 9.995 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.910 10.414 7.186 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.906 11.724 7.816 1.00 0.00 H new ATOM 1384 N VAL A 88 1.420 6.872 12.185 1.00 0.00 N ATOM 1385 CA VAL A 88 0.075 6.883 11.637 1.00 0.00 C ATOM 1386 C VAL A 88 0.053 7.737 10.368 1.00 0.00 C ATOM 1387 O VAL A 88 0.561 8.858 10.360 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.918 7.362 12.697 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.116 8.061 12.051 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.374 6.203 13.586 1.00 0.00 C ATOM 0 H VAL A 88 1.630 7.645 12.816 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.231 5.875 11.356 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.407 8.088 13.329 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.806 8.392 12.827 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.770 8.924 11.481 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.626 7.366 11.384 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.079 6.571 14.331 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.858 5.443 12.973 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.510 5.768 14.088 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.541 7.176 9.325 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.635 7.872 8.053 1.00 0.00 C ATOM 1402 C TYR A 89 -2.084 8.255 7.744 1.00 0.00 C ATOM 1403 O TYR A 89 -2.972 7.404 7.764 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.144 6.884 6.993 1.00 0.00 C ATOM 1405 CG TYR A 89 1.339 6.530 7.113 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.278 7.530 7.262 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.739 5.209 7.071 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.674 7.197 7.374 1.00 0.00 C ATOM 1409 CE2 TYR A 89 3.135 4.876 7.183 1.00 0.00 C ATOM 1410 CZ TYR A 89 4.034 5.886 7.329 1.00 0.00 C ATOM 1411 OH TYR A 89 5.353 5.571 7.435 1.00 0.00 O ATOM 0 H TYR A 89 -0.962 6.247 9.335 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.046 8.789 8.073 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.732 5.969 7.063 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.328 7.306 6.005 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.965 8.563 7.295 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.005 4.426 6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.419 7.970 7.491 1.00 0.00 H new ATOM 0 HE2 TYR A 89 3.461 3.847 7.152 1.00 0.00 H new ATOM 0 HH TYR A 89 5.462 4.598 7.388 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.278 9.536 7.466 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.604 10.042 7.153 1.00 0.00 C ATOM 1423 C ASN A 90 -3.728 10.233 5.640 1.00 0.00 C ATOM 1424 O ASN A 90 -3.251 11.227 5.095 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.849 11.395 7.822 1.00 0.00 C ATOM 1426 CG ASN A 90 -4.012 11.237 9.335 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -5.194 10.753 9.704 1.00 0.00 O flip ATOM 1428 ND2 ASN A 90 -3.123 11.536 10.116 1.00 0.00 N flip ATOM 0 H ASN A 90 -1.539 10.239 7.451 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.335 9.321 7.519 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.016 12.065 7.610 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.743 11.856 7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.238 11.903 9.765 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.265 11.419 11.119 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.371 9.264 5.005 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.565 9.314 3.565 1.00 0.00 C ATOM 1437 C PHE A 91 -6.032 9.569 3.217 1.00 0.00 C ATOM 1438 O PHE A 91 -6.890 9.579 4.099 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.152 7.948 3.012 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.645 7.688 3.057 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.773 8.688 2.758 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.177 6.457 3.395 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.374 8.447 2.800 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.778 6.215 3.437 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.094 7.215 3.138 1.00 0.00 C ATOM 0 H PHE A 91 -4.764 8.440 5.460 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.973 10.123 3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.662 7.169 3.579 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.494 7.867 1.980 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.145 9.666 2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.869 5.663 3.632 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.318 9.242 2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.407 5.237 3.706 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.158 7.031 3.169 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.276 9.769 1.931 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.625 10.024 1.455 1.00 0.00 C ATOM 1457 C CYS A 92 -7.604 10.025 -0.074 1.00 0.00 C ATOM 1458 O CYS A 92 -6.739 10.649 -0.687 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.186 11.332 2.018 1.00 0.00 C ATOM 1460 SG CYS A 92 -6.851 12.575 2.161 1.00 0.00 S ATOM 0 H CYS A 92 -5.562 9.760 1.203 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.291 9.237 1.808 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -8.976 11.708 1.368 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.635 11.154 2.995 1.00 0.00 H new ATOM 0 HG CYS A 92 -6.872 13.100 3.350 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.566 9.317 -0.648 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.668 9.227 -2.095 1.00 0.00 C ATOM 1468 C ALA A 93 -9.373 10.476 -2.630 1.00 0.00 C ATOM 1469 O ALA A 93 -9.643 11.411 -1.878 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.398 7.938 -2.476 1.00 0.00 C ATOM 0 H ALA A 93 -9.282 8.800 -0.137 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.678 9.187 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.475 7.870 -3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.843 7.080 -2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.398 7.944 -2.041 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.649 10.450 -3.925 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.317 11.568 -4.570 1.00 0.00 C ATOM 1478 C GLN A 94 -11.814 11.285 -4.708 1.00 0.00 C ATOM 1479 O GLN A 94 -12.625 12.209 -4.728 1.00 0.00 O ATOM 1480 CB GLN A 94 -9.689 11.871 -5.932 1.00 0.00 C ATOM 1481 CG GLN A 94 -8.705 13.039 -5.834 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.102 14.171 -6.784 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -9.833 15.083 -6.433 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -8.582 14.062 -8.003 1.00 0.00 N ATOM 0 H GLN A 94 -9.422 9.673 -4.545 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.190 12.451 -3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.173 10.986 -6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.471 12.109 -6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.678 13.411 -4.810 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.700 12.693 -6.074 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.977 13.273 -8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.788 14.768 -8.710 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.135 10.003 -4.798 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.521 9.586 -4.933 1.00 0.00 C ATOM 1495 C ASP A 95 -13.955 8.853 -3.662 1.00 0.00 C ATOM 1496 O ASP A 95 -13.124 8.283 -2.956 1.00 0.00 O ATOM 1497 CB ASP A 95 -13.695 8.628 -6.114 1.00 0.00 C ATOM 1498 CG ASP A 95 -14.683 9.096 -7.184 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -15.273 10.179 -6.979 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -14.826 8.360 -8.184 1.00 0.00 O ATOM 0 H ASP A 95 -11.460 9.239 -4.780 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.127 10.477 -5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -12.723 8.471 -6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.025 7.662 -5.733 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.255 8.892 -3.409 1.00 0.00 N ATOM 1506 CA VAL A 96 -15.809 8.238 -2.236 1.00 0.00 C ATOM 1507 C VAL A 96 -15.803 6.724 -2.450 1.00 0.00 C ATOM 1508 O VAL A 96 -15.410 5.969 -1.562 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.202 8.795 -1.936 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.093 7.727 -1.299 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.117 10.039 -1.049 1.00 0.00 C ATOM 0 H VAL A 96 -15.941 9.366 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.196 8.443 -1.359 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.656 9.090 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.077 8.148 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.194 6.883 -1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.644 7.388 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.121 10.414 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -16.634 9.782 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.535 10.809 -1.556 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.255 6.314 -3.665 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.306 4.902 -4.008 1.00 0.00 C ATOM 1523 C PRO A 97 -14.907 4.360 -4.307 1.00 0.00 C ATOM 1524 O PRO A 97 -14.701 3.148 -4.339 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.243 4.821 -5.202 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.315 6.228 -5.773 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.729 7.179 -4.742 1.00 0.00 C ATOM 0 HA PRO A 97 -16.672 4.283 -3.189 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.868 4.117 -5.945 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.230 4.471 -4.900 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.759 6.289 -6.709 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.347 6.497 -5.997 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -15.915 7.768 -5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.479 7.884 -4.383 1.00 0.00 H new ATOM 1535 N SER A 98 -13.982 5.285 -4.519 1.00 0.00 N ATOM 1536 CA SER A 98 -12.608 4.915 -4.814 1.00 0.00 C ATOM 1537 C SER A 98 -11.875 4.549 -3.522 1.00 0.00 C ATOM 1538 O SER A 98 -11.019 3.665 -3.518 1.00 0.00 O ATOM 1539 CB SER A 98 -11.876 6.047 -5.538 1.00 0.00 C ATOM 1540 OG SER A 98 -12.318 6.193 -6.885 1.00 0.00 O ATOM 0 H SER A 98 -14.157 6.290 -4.492 1.00 0.00 H new ATOM 0 HA SER A 98 -12.622 4.047 -5.474 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.034 6.982 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.804 5.851 -5.528 1.00 0.00 H new ATOM 0 HG SER A 98 -11.642 6.681 -7.400 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.237 5.248 -2.456 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.624 5.008 -1.161 1.00 0.00 C ATOM 1548 C ALA A 99 -11.979 3.597 -0.687 1.00 0.00 C ATOM 1549 O ALA A 99 -11.094 2.803 -0.373 1.00 0.00 O ATOM 1550 CB ALA A 99 -12.078 6.085 -0.174 1.00 0.00 C ATOM 0 H ALA A 99 -12.947 5.980 -2.463 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.538 5.068 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.618 5.905 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.777 7.066 -0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -13.163 6.052 -0.074 1.00 0.00 H new ATOM 1556 N GLN A 100 -13.276 3.328 -0.651 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.759 2.026 -0.221 1.00 0.00 C ATOM 1558 C GLN A 100 -12.921 0.914 -0.854 1.00 0.00 C ATOM 1559 O GLN A 100 -12.637 -0.096 -0.212 1.00 0.00 O ATOM 1560 CB GLN A 100 -15.241 1.854 -0.555 1.00 0.00 C ATOM 1561 CG GLN A 100 -16.038 3.103 -0.174 1.00 0.00 C ATOM 1562 CD GLN A 100 -17.484 2.745 0.178 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -17.757 1.982 1.090 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -18.391 3.337 -0.594 1.00 0.00 N ATOM 0 H GLN A 100 -14.007 3.989 -0.912 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.655 1.961 0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.357 1.656 -1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.639 0.989 -0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.565 3.596 0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.026 3.813 -1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.093 3.965 -1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -19.384 3.163 -0.439 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.548 1.137 -2.106 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.748 0.166 -2.833 1.00 0.00 C ATOM 1575 C GLN A 101 -10.313 0.156 -2.302 1.00 0.00 C ATOM 1576 O GLN A 101 -9.684 -0.898 -2.223 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.775 0.449 -4.336 1.00 0.00 C ATOM 1578 CG GLN A 101 -13.146 0.121 -4.931 1.00 0.00 C ATOM 1579 CD GLN A 101 -13.016 -0.350 -6.381 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -11.959 -0.292 -6.987 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -14.147 -0.818 -6.901 1.00 0.00 N ATOM 0 H GLN A 101 -12.785 1.976 -2.635 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.179 -0.822 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.538 1.497 -4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -11.007 -0.142 -4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.629 -0.653 -4.335 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.786 1.002 -4.887 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.997 -0.838 -6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.164 -1.157 -7.863 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.838 1.342 -1.952 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.489 1.484 -1.431 1.00 0.00 C ATOM 1592 C TRP A 102 -8.406 0.708 -0.115 1.00 0.00 C ATOM 1593 O TRP A 102 -7.500 -0.102 0.076 1.00 0.00 O ATOM 1594 CB TRP A 102 -8.111 2.959 -1.280 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.399 3.547 -2.500 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.907 4.355 -3.441 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -6.021 3.340 -2.874 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.960 4.682 -4.391 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.777 4.045 -4.035 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -5.014 2.581 -2.253 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.532 4.061 -4.675 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.775 2.608 -2.904 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.513 3.313 -4.074 1.00 0.00 C ATOM 0 H TRP A 102 -10.363 2.214 -2.019 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.761 1.067 -2.127 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -9.015 3.537 -1.086 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.467 3.071 -0.407 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.928 4.706 -3.454 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.102 5.281 -5.204 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -5.183 2.021 -1.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.367 4.621 -5.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.966 2.042 -2.467 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.528 3.283 -4.517 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.364 0.982 0.758 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.411 0.320 2.050 1.00 0.00 C ATOM 1616 C VAL A 103 -9.421 -1.196 1.841 1.00 0.00 C ATOM 1617 O VAL A 103 -8.493 -1.890 2.255 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.614 0.821 2.852 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.842 -0.041 4.095 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.445 2.294 3.229 1.00 0.00 C ATOM 0 H VAL A 103 -10.114 1.654 0.596 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.524 0.562 2.636 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.498 0.736 2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.703 0.337 4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -11.028 -1.072 3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.958 -0.003 4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.313 2.626 3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.547 2.414 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.355 2.893 2.323 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.481 -1.666 1.200 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.625 -3.086 0.931 1.00 0.00 C ATOM 1632 C ASP A 104 -9.282 -3.650 0.462 1.00 0.00 C ATOM 1633 O ASP A 104 -8.879 -4.734 0.882 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.655 -3.337 -0.172 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.662 -4.450 0.125 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -12.651 -4.933 1.278 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -13.420 -4.793 -0.808 1.00 0.00 O ATOM 0 H ASP A 104 -11.249 -1.088 0.859 1.00 0.00 H new ATOM 0 HA ASP A 104 -10.956 -3.571 1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.202 -2.412 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.126 -3.582 -1.093 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.627 -2.890 -0.403 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.338 -3.300 -0.934 1.00 0.00 C ATOM 1644 C ARG A 105 -6.321 -3.451 0.198 1.00 0.00 C ATOM 1645 O ARG A 105 -5.850 -4.554 0.472 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.813 -2.285 -1.951 1.00 0.00 C ATOM 1647 CG ARG A 105 -7.171 -2.702 -3.379 1.00 0.00 C ATOM 1648 CD ARG A 105 -6.883 -1.572 -4.369 1.00 0.00 C ATOM 1649 NE ARG A 105 -7.855 -1.616 -5.484 1.00 0.00 N ATOM 1650 CZ ARG A 105 -7.891 -2.582 -6.412 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -7.009 -3.590 -6.363 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -8.808 -2.541 -7.388 1.00 0.00 N ATOM 0 H ARG A 105 -8.965 -1.992 -0.750 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.475 -4.259 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.234 -1.302 -1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.731 -2.196 -1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.600 -3.588 -3.657 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.225 -2.974 -3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.942 -0.609 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.868 -1.666 -4.756 1.00 0.00 H new ATOM 0 HE ARG A 105 -8.541 -0.864 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -6.311 -3.621 -5.620 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -7.036 -4.326 -7.069 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.479 -1.774 -7.425 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -8.835 -3.277 -8.094 1.00 0.00 H new ATOM 1666 N ILE A 106 -6.012 -2.326 0.827 1.00 0.00 N ATOM 1667 CA ILE A 106 -5.059 -2.319 1.923 1.00 0.00 C ATOM 1668 C ILE A 106 -5.480 -3.357 2.966 1.00 0.00 C ATOM 1669 O ILE A 106 -4.660 -4.151 3.423 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.904 -0.907 2.490 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.417 0.065 1.413 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -3.992 -0.905 3.719 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.999 1.463 1.633 1.00 0.00 C ATOM 0 H ILE A 106 -6.405 -1.413 0.598 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.069 -2.606 1.568 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.884 -0.561 2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.328 0.114 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.706 -0.303 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.899 0.111 4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.420 -1.546 4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.007 -1.279 3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.637 2.134 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.087 1.414 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.688 1.837 2.608 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.759 -3.317 3.311 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.299 -4.244 4.291 1.00 0.00 C ATOM 1687 C GLN A 107 -7.172 -5.683 3.787 1.00 0.00 C ATOM 1688 O GLN A 107 -6.982 -6.606 4.577 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.753 -3.905 4.623 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.844 -3.067 5.899 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.348 -3.909 7.073 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -9.749 -5.051 6.925 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -9.307 -3.282 8.246 1.00 0.00 N ATOM 0 H GLN A 107 -7.437 -2.657 2.929 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.720 -4.150 5.210 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.201 -3.359 3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.325 -4.824 4.746 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.864 -2.654 6.138 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.515 -2.223 5.737 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -8.959 -2.325 8.301 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.623 -3.759 9.090 1.00 0.00 H new ATOM 1702 N SER A 108 -7.282 -5.828 2.475 1.00 0.00 N ATOM 1703 CA SER A 108 -7.182 -7.139 1.856 1.00 0.00 C ATOM 1704 C SER A 108 -5.750 -7.665 1.974 1.00 0.00 C ATOM 1705 O SER A 108 -5.482 -8.821 1.652 1.00 0.00 O ATOM 1706 CB SER A 108 -7.609 -7.089 0.388 1.00 0.00 C ATOM 1707 OG SER A 108 -7.350 -8.317 -0.286 1.00 0.00 O ATOM 0 H SER A 108 -7.439 -5.059 1.823 1.00 0.00 H new ATOM 0 HA SER A 108 -7.856 -7.817 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.673 -6.860 0.328 1.00 0.00 H new ATOM 0 HB3 SER A 108 -7.080 -6.280 -0.116 1.00 0.00 H new ATOM 0 HG SER A 108 -6.696 -8.839 0.225 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.869 -6.791 2.437 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.471 -7.154 2.602 1.00 0.00 C ATOM 1715 C CYS A 109 -3.219 -7.432 4.085 1.00 0.00 C ATOM 1716 O CYS A 109 -3.332 -8.572 4.534 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.538 -6.070 2.058 1.00 0.00 C ATOM 1718 SG CYS A 109 -1.980 -6.513 0.372 1.00 0.00 S ATOM 0 H CYS A 109 -5.095 -5.833 2.703 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.255 -8.052 2.023 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -3.054 -5.110 2.039 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.677 -5.956 2.717 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.190 -5.585 -0.082 1.00 0.00 H new