USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=16 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 15 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00873 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -5.2! C(o=-5.2!,f=-3.9!) USER MOD Single : A 37 GLN : amide:sc= -2.46 K(o=-2.5,f=-4.5) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0365 USER MOD Single : A 67 THR OG1 : rot 100:sc= -0.129 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -150:sc= -0.71 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 159:sc= -1.35 (180deg=-2.04!) USER MOD Single : A 84 THR OG1 : rot -144:sc= -0.0435 USER MOD Single : A 85 THR OG1 : rot -172:sc= 0.552 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.774 X(o=-0.77,f=-1.1) USER MOD Single : A 92 CYS SG : rot -164:sc= -0.691 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0514 K(o=-0.051,f=-1.4!) USER MOD Single : A 101 GLN : amide:sc= -0.294 K(o=-0.29,f=-1.8!) USER MOD Single : A 107 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.5!) USER MOD Single : A 108 SER OG : rot -31:sc= 0.444 USER MOD Single : A 109 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N TYR A 10 -2.941 -2.250 -8.168 1.00 0.00 N ATOM 102 CA TYR A 10 -3.823 -1.100 -8.279 1.00 0.00 C ATOM 103 C TYR A 10 -3.027 0.207 -8.244 1.00 0.00 C ATOM 104 O TYR A 10 -1.869 0.221 -7.831 1.00 0.00 O ATOM 105 CB TYR A 10 -4.744 -1.156 -7.058 1.00 0.00 C ATOM 106 CG TYR A 10 -5.963 -0.237 -7.156 1.00 0.00 C ATOM 107 CD1 TYR A 10 -6.760 -0.265 -8.283 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.266 0.620 -6.118 1.00 0.00 C ATOM 109 CE1 TYR A 10 -7.907 0.600 -8.375 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.414 1.485 -6.210 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.178 1.432 -7.334 1.00 0.00 C ATOM 112 OH TYR A 10 -9.262 2.249 -7.421 1.00 0.00 O ATOM 0 HA TYR A 10 -4.373 -1.127 -9.219 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.085 -2.182 -6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.171 -0.889 -6.170 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.523 -0.936 -9.096 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.642 0.642 -5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.538 0.588 -9.251 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.663 2.160 -5.405 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.333 2.786 -6.605 1.00 0.00 H new ATOM 122 N GLU A 11 -3.681 1.272 -8.682 1.00 0.00 N ATOM 123 CA GLU A 11 -3.050 2.581 -8.706 1.00 0.00 C ATOM 124 C GLU A 11 -4.107 3.678 -8.836 1.00 0.00 C ATOM 125 O GLU A 11 -4.999 3.590 -9.679 1.00 0.00 O ATOM 126 CB GLU A 11 -2.022 2.673 -9.835 1.00 0.00 C ATOM 127 CG GLU A 11 -2.649 2.297 -11.179 1.00 0.00 C ATOM 128 CD GLU A 11 -1.959 1.071 -11.782 1.00 0.00 C ATOM 129 OE1 GLU A 11 -0.713 1.023 -11.700 1.00 0.00 O ATOM 130 OE2 GLU A 11 -2.694 0.209 -12.310 1.00 0.00 O ATOM 0 H GLU A 11 -4.642 1.256 -9.023 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.520 2.725 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.623 3.686 -9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.183 2.010 -9.623 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.711 2.092 -11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.572 3.138 -11.868 1.00 0.00 H new ATOM 137 N GLY A 12 -3.974 4.688 -7.989 1.00 0.00 N ATOM 138 CA GLY A 12 -4.907 5.802 -7.999 1.00 0.00 C ATOM 139 C GLY A 12 -4.361 6.981 -7.191 1.00 0.00 C ATOM 140 O GLY A 12 -3.342 6.856 -6.514 1.00 0.00 O ATOM 0 H GLY A 12 -3.234 4.758 -7.291 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.094 6.116 -9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.863 5.484 -7.584 1.00 0.00 H new ATOM 144 N ILE A 13 -5.064 8.100 -7.290 1.00 0.00 N ATOM 145 CA ILE A 13 -4.663 9.301 -6.577 1.00 0.00 C ATOM 146 C ILE A 13 -4.828 9.075 -5.073 1.00 0.00 C ATOM 147 O ILE A 13 -5.798 8.457 -4.637 1.00 0.00 O ATOM 148 CB ILE A 13 -5.428 10.517 -7.103 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.872 10.972 -8.454 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.432 11.650 -6.075 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.732 11.975 -8.269 1.00 0.00 C ATOM 0 H ILE A 13 -5.909 8.200 -7.853 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.609 9.515 -6.754 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.466 10.224 -7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.513 10.108 -9.013 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.668 11.426 -9.044 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.982 12.502 -6.475 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.910 11.307 -5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.406 11.949 -5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.355 12.282 -9.245 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.100 12.849 -7.731 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.927 11.510 -7.699 1.00 0.00 H new ATOM 163 N LEU A 14 -3.865 9.588 -4.321 1.00 0.00 N ATOM 164 CA LEU A 14 -3.891 9.449 -2.875 1.00 0.00 C ATOM 165 C LEU A 14 -3.166 10.638 -2.240 1.00 0.00 C ATOM 166 O LEU A 14 -1.977 10.845 -2.479 1.00 0.00 O ATOM 167 CB LEU A 14 -3.327 8.090 -2.456 1.00 0.00 C ATOM 168 CG LEU A 14 -4.355 6.985 -2.206 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.686 5.731 -1.641 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.488 7.485 -1.307 1.00 0.00 C ATOM 0 H LEU A 14 -3.062 10.100 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.918 9.468 -2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.639 7.750 -3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.742 8.227 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.800 6.709 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.439 4.961 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.944 5.364 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.197 5.973 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.205 6.681 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.078 7.805 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.989 8.326 -1.786 1.00 0.00 H new ATOM 182 N TYR A 15 -3.912 11.388 -1.442 1.00 0.00 N ATOM 183 CA TYR A 15 -3.356 12.550 -0.771 1.00 0.00 C ATOM 184 C TYR A 15 -2.771 12.170 0.590 1.00 0.00 C ATOM 185 O TYR A 15 -3.006 11.068 1.085 1.00 0.00 O ATOM 186 CB TYR A 15 -4.524 13.515 -0.559 1.00 0.00 C ATOM 187 CG TYR A 15 -5.135 14.047 -1.857 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.964 13.241 -2.611 1.00 0.00 C ATOM 189 CD2 TYR A 15 -4.857 15.333 -2.274 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.539 13.743 -3.833 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.432 15.834 -3.495 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.244 15.014 -4.214 1.00 0.00 C ATOM 193 OH TYR A 15 -6.787 15.488 -5.368 1.00 0.00 O ATOM 0 H TYR A 15 -4.897 11.213 -1.245 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.554 12.988 -1.366 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.300 13.009 0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.181 14.358 0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.181 12.235 -2.285 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.208 15.963 -1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.190 13.124 -4.433 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.223 16.838 -3.832 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.490 16.410 -5.514 1.00 0.00 H new ATOM 203 N LYS A 16 -2.019 13.102 1.157 1.00 0.00 N ATOM 204 CA LYS A 16 -1.399 12.878 2.452 1.00 0.00 C ATOM 205 C LYS A 16 -1.504 14.153 3.291 1.00 0.00 C ATOM 206 O LYS A 16 -1.308 15.255 2.779 1.00 0.00 O ATOM 207 CB LYS A 16 0.035 12.372 2.279 1.00 0.00 C ATOM 208 CG LYS A 16 0.726 12.210 3.634 1.00 0.00 C ATOM 209 CD LYS A 16 1.880 11.208 3.544 1.00 0.00 C ATOM 210 CE LYS A 16 3.076 11.673 4.377 1.00 0.00 C ATOM 211 NZ LYS A 16 2.899 11.291 5.796 1.00 0.00 N ATOM 0 H LYS A 16 -1.825 14.014 0.743 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.926 12.094 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.027 11.417 1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.599 13.070 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.103 13.175 3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.003 11.872 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.546 10.231 3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.182 11.088 2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.993 11.231 3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.185 12.755 4.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.719 11.614 6.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.035 11.733 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.818 10.257 5.870 1.00 0.00 H new ATOM 225 N LYS A 17 -1.812 13.962 4.565 1.00 0.00 N ATOM 226 CA LYS A 17 -1.945 15.083 5.479 1.00 0.00 C ATOM 227 C LYS A 17 -0.787 16.058 5.256 1.00 0.00 C ATOM 228 O LYS A 17 0.322 15.644 4.923 1.00 0.00 O ATOM 229 CB LYS A 17 -2.063 14.587 6.922 1.00 0.00 C ATOM 230 CG LYS A 17 -2.961 15.511 7.748 1.00 0.00 C ATOM 231 CD LYS A 17 -4.066 14.718 8.448 1.00 0.00 C ATOM 232 CE LYS A 17 -5.020 15.651 9.197 1.00 0.00 C ATOM 233 NZ LYS A 17 -4.651 15.730 10.628 1.00 0.00 N ATOM 0 H LYS A 17 -1.973 13.047 4.986 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.866 15.631 5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.470 13.576 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.073 14.536 7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.362 16.039 8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.405 16.267 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.623 14.137 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.623 14.008 9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.989 16.646 8.752 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.044 15.289 9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.308 16.367 11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.703 14.782 11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.682 16.096 10.717 1.00 0.00 H new ATOM 337 N TRP A 24 -2.821 19.531 2.313 1.00 0.00 N ATOM 338 CA TRP A 24 -2.435 18.174 1.968 1.00 0.00 C ATOM 339 C TRP A 24 -1.782 18.204 0.585 1.00 0.00 C ATOM 340 O TRP A 24 -2.007 19.131 -0.191 1.00 0.00 O ATOM 341 CB TRP A 24 -3.634 17.227 2.043 1.00 0.00 C ATOM 342 CG TRP A 24 -4.189 17.036 3.456 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.137 17.892 4.485 1.00 0.00 C ATOM 344 CD2 TRP A 24 -4.888 15.876 3.955 1.00 0.00 C ATOM 345 NE1 TRP A 24 -4.748 17.371 5.607 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.219 16.106 5.275 1.00 0.00 C ATOM 347 CE3 TRP A 24 -5.228 14.672 3.313 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -5.908 15.178 6.065 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -5.916 13.755 4.117 1.00 0.00 C ATOM 350 CH2 TRP A 24 -6.257 13.971 5.447 1.00 0.00 C ATOM 0 HA TRP A 24 -1.712 17.785 2.685 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.427 17.610 1.401 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -3.342 16.256 1.644 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.675 18.867 4.442 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.838 17.830 6.514 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.978 14.471 2.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.157 15.382 7.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.202 12.813 3.672 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.789 13.212 6.001 1.00 0.00 H new ATOM 361 N LYS A 25 -0.986 17.179 0.319 1.00 0.00 N ATOM 362 CA LYS A 25 -0.299 17.077 -0.958 1.00 0.00 C ATOM 363 C LYS A 25 -0.838 15.869 -1.727 1.00 0.00 C ATOM 364 O LYS A 25 -0.898 14.764 -1.191 1.00 0.00 O ATOM 365 CB LYS A 25 1.217 17.047 -0.749 1.00 0.00 C ATOM 366 CG LYS A 25 1.839 18.410 -1.055 1.00 0.00 C ATOM 367 CD LYS A 25 2.709 18.346 -2.312 1.00 0.00 C ATOM 368 CE LYS A 25 1.864 18.533 -3.574 1.00 0.00 C ATOM 369 NZ LYS A 25 2.676 18.276 -4.784 1.00 0.00 N ATOM 0 H LYS A 25 -0.801 16.412 0.965 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.496 17.958 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.440 16.764 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.662 16.288 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.051 19.151 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.442 18.737 -0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.477 19.118 -2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.224 17.386 -2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.010 17.855 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.465 19.547 -3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.087 18.407 -5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.476 18.939 -4.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.036 17.300 -4.760 1.00 0.00 H new ATOM 383 N ALA A 26 -1.217 16.122 -2.971 1.00 0.00 N ATOM 384 CA ALA A 26 -1.749 15.069 -3.819 1.00 0.00 C ATOM 385 C ALA A 26 -0.596 14.371 -4.543 1.00 0.00 C ATOM 386 O ALA A 26 0.156 15.008 -5.279 1.00 0.00 O ATOM 387 CB ALA A 26 -2.772 15.663 -4.790 1.00 0.00 C ATOM 0 H ALA A 26 -1.166 17.040 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.265 14.318 -3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.171 14.873 -5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.585 16.121 -4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.289 16.419 -5.410 1.00 0.00 H new ATOM 393 N ARG A 27 -0.493 13.071 -4.309 1.00 0.00 N ATOM 394 CA ARG A 27 0.556 12.280 -4.930 1.00 0.00 C ATOM 395 C ARG A 27 -0.040 11.036 -5.593 1.00 0.00 C ATOM 396 O ARG A 27 -1.186 10.677 -5.330 1.00 0.00 O ATOM 397 CB ARG A 27 1.602 11.849 -3.901 1.00 0.00 C ATOM 398 CG ARG A 27 2.995 12.346 -4.294 1.00 0.00 C ATOM 399 CD ARG A 27 3.802 12.750 -3.059 1.00 0.00 C ATOM 400 NE ARG A 27 4.369 14.105 -3.246 1.00 0.00 N ATOM 401 CZ ARG A 27 4.949 14.817 -2.271 1.00 0.00 C ATOM 402 NH1 ARG A 27 5.043 14.309 -1.035 1.00 0.00 N ATOM 403 NH2 ARG A 27 5.436 16.038 -2.532 1.00 0.00 N ATOM 0 H ARG A 27 -1.119 12.546 -3.698 1.00 0.00 H new ATOM 0 HA ARG A 27 1.039 12.902 -5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.335 12.242 -2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.610 10.762 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.524 11.564 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.904 13.198 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.164 12.733 -2.176 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.604 12.032 -2.887 1.00 0.00 H new ATOM 0 HE ARG A 27 4.314 14.522 -4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.673 13.380 -0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.485 14.852 -0.293 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.365 16.425 -3.473 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.878 16.580 -1.790 1.00 0.00 H new ATOM 417 N TRP A 28 0.766 10.413 -6.440 1.00 0.00 N ATOM 418 CA TRP A 28 0.334 9.217 -7.143 1.00 0.00 C ATOM 419 C TRP A 28 0.894 8.003 -6.400 1.00 0.00 C ATOM 420 O TRP A 28 2.089 7.720 -6.478 1.00 0.00 O ATOM 421 CB TRP A 28 0.752 9.264 -8.614 1.00 0.00 C ATOM 422 CG TRP A 28 0.303 8.049 -9.427 1.00 0.00 C ATOM 423 CD1 TRP A 28 1.049 7.021 -9.856 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.034 7.774 -9.896 1.00 0.00 C ATOM 425 NE1 TRP A 28 0.293 6.108 -10.563 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.014 6.581 -10.589 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.222 8.511 -9.740 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.151 6.018 -11.180 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.350 7.935 -10.337 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.345 6.734 -11.038 1.00 0.00 C ATOM 0 H TRP A 28 1.716 10.714 -6.655 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.754 9.147 -7.152 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.341 10.165 -9.069 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.838 9.345 -8.670 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.108 6.920 -9.672 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.631 5.245 -10.988 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.261 9.447 -9.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.109 5.082 -11.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.289 8.460 -10.247 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.259 6.355 -11.471 1.00 0.00 H new ATOM 441 N PHE A 29 0.006 7.318 -5.695 1.00 0.00 N ATOM 442 CA PHE A 29 0.397 6.141 -4.938 1.00 0.00 C ATOM 443 C PHE A 29 0.254 4.874 -5.783 1.00 0.00 C ATOM 444 O PHE A 29 -0.367 4.898 -6.845 1.00 0.00 O ATOM 445 CB PHE A 29 -0.546 6.048 -3.737 1.00 0.00 C ATOM 446 CG PHE A 29 -0.157 6.956 -2.569 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.492 8.128 -2.805 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.459 6.591 -1.294 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.853 8.971 -1.720 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.098 7.434 -0.209 1.00 0.00 C ATOM 451 CZ PHE A 29 0.550 8.606 -0.446 1.00 0.00 C ATOM 0 H PHE A 29 -0.984 7.556 -5.632 1.00 0.00 H new ATOM 0 HA PHE A 29 1.439 6.225 -4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.556 6.301 -4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.573 5.016 -3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.733 8.418 -3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.973 5.660 -1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.368 9.902 -1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.338 7.144 0.803 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.824 9.247 0.379 1.00 0.00 H new ATOM 461 N VAL A 30 0.839 3.797 -5.280 1.00 0.00 N ATOM 462 CA VAL A 30 0.785 2.522 -5.976 1.00 0.00 C ATOM 463 C VAL A 30 0.516 1.406 -4.965 1.00 0.00 C ATOM 464 O VAL A 30 1.375 1.087 -4.144 1.00 0.00 O ATOM 465 CB VAL A 30 2.071 2.307 -6.776 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.268 0.827 -7.111 1.00 0.00 C ATOM 467 CG2 VAL A 30 2.077 3.162 -8.045 1.00 0.00 C ATOM 0 H VAL A 30 1.353 3.781 -4.399 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.034 2.514 -6.695 1.00 0.00 H new ATOM 0 HB VAL A 30 2.909 2.624 -6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.189 0.702 -7.680 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.330 0.250 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.425 0.473 -7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.002 2.990 -8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.227 2.890 -8.671 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.006 4.215 -7.774 1.00 0.00 H new ATOM 477 N LEU A 31 -0.679 0.842 -5.058 1.00 0.00 N ATOM 478 CA LEU A 31 -1.072 -0.232 -4.161 1.00 0.00 C ATOM 479 C LEU A 31 -0.647 -1.573 -4.762 1.00 0.00 C ATOM 480 O LEU A 31 -1.446 -2.248 -5.411 1.00 0.00 O ATOM 481 CB LEU A 31 -2.566 -0.146 -3.844 1.00 0.00 C ATOM 482 CG LEU A 31 -2.958 -0.400 -2.387 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.186 -1.892 -2.133 1.00 0.00 C ATOM 484 CD2 LEU A 31 -1.923 0.193 -1.429 1.00 0.00 C ATOM 0 H LEU A 31 -1.388 1.108 -5.741 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.561 -0.135 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.921 0.845 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.092 -0.865 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.903 0.108 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.463 -2.045 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.987 -2.253 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.270 -2.442 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.226 -0.002 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.951 -0.265 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.853 1.269 -1.589 1.00 0.00 H new ATOM 496 N ASP A 32 0.610 -1.920 -4.526 1.00 0.00 N ATOM 497 CA ASP A 32 1.150 -3.169 -5.036 1.00 0.00 C ATOM 498 C ASP A 32 0.677 -4.324 -4.152 1.00 0.00 C ATOM 499 O ASP A 32 0.984 -4.365 -2.962 1.00 0.00 O ATOM 500 CB ASP A 32 2.680 -3.155 -5.018 1.00 0.00 C ATOM 501 CG ASP A 32 3.327 -2.043 -5.846 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.208 -2.118 -7.088 1.00 0.00 O ATOM 503 OD2 ASP A 32 3.927 -1.144 -5.218 1.00 0.00 O ATOM 0 H ASP A 32 1.270 -1.358 -3.988 1.00 0.00 H new ATOM 0 HA ASP A 32 0.802 -3.293 -6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.015 -3.060 -3.985 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.041 -4.116 -5.383 1.00 0.00 H new ATOM 508 N LYS A 33 -0.064 -5.233 -4.768 1.00 0.00 N ATOM 509 CA LYS A 33 -0.583 -6.386 -4.051 1.00 0.00 C ATOM 510 C LYS A 33 0.447 -7.516 -4.097 1.00 0.00 C ATOM 511 O LYS A 33 0.466 -8.380 -3.221 1.00 0.00 O ATOM 512 CB LYS A 33 -1.956 -6.783 -4.597 1.00 0.00 C ATOM 513 CG LYS A 33 -1.935 -6.868 -6.125 1.00 0.00 C ATOM 514 CD LYS A 33 -3.108 -7.702 -6.644 1.00 0.00 C ATOM 515 CE LYS A 33 -4.334 -6.824 -6.901 1.00 0.00 C ATOM 516 NZ LYS A 33 -5.429 -7.624 -7.492 1.00 0.00 N ATOM 0 H LYS A 33 -0.318 -5.195 -5.755 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.742 -6.141 -3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.253 -7.745 -4.180 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.702 -6.054 -4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.981 -5.865 -6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.995 -7.311 -6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.819 -8.208 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.357 -8.477 -5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.668 -6.373 -5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.069 -6.007 -7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.254 -7.013 -7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.112 -8.034 -8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.692 -8.389 -6.838 1.00 0.00 H new ATOM 530 N THR A 34 1.279 -7.473 -5.127 1.00 0.00 N ATOM 531 CA THR A 34 2.310 -8.483 -5.298 1.00 0.00 C ATOM 532 C THR A 34 3.500 -8.192 -4.381 1.00 0.00 C ATOM 533 O THR A 34 4.143 -9.114 -3.881 1.00 0.00 O ATOM 534 CB THR A 34 2.684 -8.530 -6.781 1.00 0.00 C ATOM 535 OG1 THR A 34 3.280 -7.260 -7.030 1.00 0.00 O ATOM 536 CG2 THR A 34 1.456 -8.550 -7.694 1.00 0.00 C ATOM 0 H THR A 34 1.260 -6.755 -5.851 1.00 0.00 H new ATOM 0 HA THR A 34 1.949 -9.469 -5.007 1.00 0.00 H new ATOM 0 HB THR A 34 3.294 -9.413 -6.973 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.554 -7.206 -7.969 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.777 -8.583 -8.735 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.852 -9.430 -7.472 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.863 -7.651 -7.526 1.00 0.00 H new ATOM 544 N LYS A 35 3.756 -6.907 -4.188 1.00 0.00 N ATOM 545 CA LYS A 35 4.857 -6.483 -3.339 1.00 0.00 C ATOM 546 C LYS A 35 4.313 -6.085 -1.966 1.00 0.00 C ATOM 547 O LYS A 35 5.075 -5.937 -1.012 1.00 0.00 O ATOM 548 CB LYS A 35 5.666 -5.378 -4.023 1.00 0.00 C ATOM 549 CG LYS A 35 6.692 -5.970 -4.992 1.00 0.00 C ATOM 550 CD LYS A 35 8.025 -6.231 -4.287 1.00 0.00 C ATOM 551 CE LYS A 35 9.194 -5.670 -5.100 1.00 0.00 C ATOM 552 NZ LYS A 35 9.502 -4.285 -4.677 1.00 0.00 N ATOM 0 H LYS A 35 3.220 -6.145 -4.605 1.00 0.00 H new ATOM 0 HA LYS A 35 5.554 -7.306 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.994 -4.711 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.176 -4.777 -3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.309 -6.901 -5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.846 -5.286 -5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.013 -5.774 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.160 -7.303 -4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.073 -6.301 -4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.947 -5.686 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.297 -3.919 -5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.667 -3.683 -4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.758 -4.279 -3.669 1.00 0.00 H new ATOM 566 N HIS A 36 2.999 -5.924 -1.909 1.00 0.00 N ATOM 567 CA HIS A 36 2.344 -5.547 -0.668 1.00 0.00 C ATOM 568 C HIS A 36 3.053 -4.334 -0.062 1.00 0.00 C ATOM 569 O HIS A 36 3.417 -4.347 1.113 1.00 0.00 O ATOM 570 CB HIS A 36 2.276 -6.735 0.293 1.00 0.00 C ATOM 571 CG HIS A 36 3.623 -7.320 0.644 1.00 0.00 C ATOM 572 ND1 HIS A 36 4.088 -8.507 0.105 1.00 0.00 N ATOM 573 CD2 HIS A 36 4.600 -6.869 1.482 1.00 0.00 C ATOM 574 CE1 HIS A 36 5.291 -8.750 0.605 1.00 0.00 C ATOM 575 NE2 HIS A 36 5.606 -7.734 1.459 1.00 0.00 N ATOM 0 H HIS A 36 2.370 -6.048 -2.703 1.00 0.00 H new ATOM 0 HA HIS A 36 1.313 -5.258 -0.870 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.779 -6.419 1.210 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.658 -7.514 -0.153 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.561 -5.961 2.066 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.913 -9.603 0.376 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.472 -7.653 1.992 1.00 0.00 H new ATOM 583 N GLN A 37 3.228 -3.316 -0.891 1.00 0.00 N ATOM 584 CA GLN A 37 3.887 -2.098 -0.451 1.00 0.00 C ATOM 585 C GLN A 37 3.176 -0.872 -1.028 1.00 0.00 C ATOM 586 O GLN A 37 2.387 -0.991 -1.963 1.00 0.00 O ATOM 587 CB GLN A 37 5.368 -2.105 -0.838 1.00 0.00 C ATOM 588 CG GLN A 37 6.136 -3.163 -0.044 1.00 0.00 C ATOM 589 CD GLN A 37 7.548 -2.678 0.293 1.00 0.00 C ATOM 590 OE1 GLN A 37 7.875 -2.382 1.430 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.362 -2.612 -0.757 1.00 0.00 N ATOM 0 H GLN A 37 2.925 -3.309 -1.865 1.00 0.00 H new ATOM 0 HA GLN A 37 3.829 -2.050 0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.468 -2.302 -1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.801 -1.122 -0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.598 -3.394 0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.193 -4.086 -0.621 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.023 -2.875 -1.682 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.325 -2.298 -0.637 1.00 0.00 H new ATOM 600 N LEU A 38 3.481 0.278 -0.445 1.00 0.00 N ATOM 601 CA LEU A 38 2.881 1.525 -0.889 1.00 0.00 C ATOM 602 C LEU A 38 3.958 2.407 -1.523 1.00 0.00 C ATOM 603 O LEU A 38 4.801 2.965 -0.821 1.00 0.00 O ATOM 604 CB LEU A 38 2.133 2.199 0.263 1.00 0.00 C ATOM 605 CG LEU A 38 0.789 2.839 -0.094 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.259 2.547 0.981 1.00 0.00 C ATOM 607 CD2 LEU A 38 0.947 4.339 -0.349 1.00 0.00 C ATOM 0 H LEU A 38 4.136 0.373 0.331 1.00 0.00 H new ATOM 0 HA LEU A 38 2.132 1.335 -1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.964 1.457 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.778 2.968 0.688 1.00 0.00 H new ATOM 0 HG LEU A 38 0.432 2.391 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.205 3.013 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.398 1.470 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.077 2.950 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.022 4.769 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.337 4.821 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.640 4.497 -1.176 1.00 0.00 H new ATOM 619 N ARG A 39 3.896 2.506 -2.842 1.00 0.00 N ATOM 620 CA ARG A 39 4.856 3.312 -3.578 1.00 0.00 C ATOM 621 C ARG A 39 4.172 4.548 -4.165 1.00 0.00 C ATOM 622 O ARG A 39 3.235 4.429 -4.953 1.00 0.00 O ATOM 623 CB ARG A 39 5.497 2.507 -4.711 1.00 0.00 C ATOM 624 CG ARG A 39 5.973 1.141 -4.211 1.00 0.00 C ATOM 625 CD ARG A 39 7.176 0.651 -5.019 1.00 0.00 C ATOM 626 NE ARG A 39 6.832 -0.600 -5.731 1.00 0.00 N ATOM 627 CZ ARG A 39 7.713 -1.339 -6.419 1.00 0.00 C ATOM 628 NH1 ARG A 39 8.995 -0.958 -6.493 1.00 0.00 N ATOM 629 NH2 ARG A 39 7.311 -2.460 -7.035 1.00 0.00 N ATOM 0 H ARG A 39 3.196 2.042 -3.421 1.00 0.00 H new ATOM 0 HA ARG A 39 5.634 3.620 -2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.777 2.372 -5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.340 3.061 -5.124 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.242 1.209 -3.157 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.160 0.418 -4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.479 1.415 -5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.024 0.480 -4.356 1.00 0.00 H new ATOM 0 HE ARG A 39 5.864 -0.920 -5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.301 -0.105 -6.025 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.665 -1.521 -7.017 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.335 -2.750 -6.980 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.981 -3.023 -7.559 1.00 0.00 H new ATOM 643 N TYR A 40 4.667 5.708 -3.757 1.00 0.00 N ATOM 644 CA TYR A 40 4.115 6.965 -4.232 1.00 0.00 C ATOM 645 C TYR A 40 5.205 7.843 -4.851 1.00 0.00 C ATOM 646 O TYR A 40 6.254 8.055 -4.246 1.00 0.00 O ATOM 647 CB TYR A 40 3.549 7.670 -2.998 1.00 0.00 C ATOM 648 CG TYR A 40 4.587 7.952 -1.911 1.00 0.00 C ATOM 649 CD1 TYR A 40 4.843 7.005 -0.939 1.00 0.00 C ATOM 650 CD2 TYR A 40 5.269 9.152 -1.901 1.00 0.00 C ATOM 651 CE1 TYR A 40 5.820 7.270 0.085 1.00 0.00 C ATOM 652 CE2 TYR A 40 6.247 9.416 -0.878 1.00 0.00 C ATOM 653 CZ TYR A 40 6.474 8.462 0.065 1.00 0.00 C ATOM 654 OH TYR A 40 7.397 8.712 1.032 1.00 0.00 O ATOM 0 H TYR A 40 5.444 5.803 -3.103 1.00 0.00 H new ATOM 0 HA TYR A 40 3.358 6.788 -4.996 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.096 8.612 -3.307 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.753 7.057 -2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.310 6.066 -0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.069 9.893 -2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.029 6.538 0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.788 10.350 -0.860 1.00 0.00 H new ATOM 0 HH TYR A 40 7.785 9.601 0.892 1.00 0.00 H new ATOM 664 N TYR A 41 4.918 8.330 -6.050 1.00 0.00 N ATOM 665 CA TYR A 41 5.861 9.180 -6.757 1.00 0.00 C ATOM 666 C TYR A 41 5.361 10.625 -6.813 1.00 0.00 C ATOM 667 O TYR A 41 4.170 10.866 -7.004 1.00 0.00 O ATOM 668 CB TYR A 41 5.943 8.625 -8.181 1.00 0.00 C ATOM 669 CG TYR A 41 6.354 7.153 -8.253 1.00 0.00 C ATOM 670 CD1 TYR A 41 5.499 6.174 -7.789 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.580 6.804 -8.781 1.00 0.00 C ATOM 672 CE1 TYR A 41 5.886 4.789 -7.857 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.967 5.419 -8.848 1.00 0.00 C ATOM 674 CZ TYR A 41 7.101 4.480 -8.383 1.00 0.00 C ATOM 675 OH TYR A 41 7.467 3.171 -8.447 1.00 0.00 O ATOM 0 H TYR A 41 4.046 8.152 -6.549 1.00 0.00 H new ATOM 0 HA TYR A 41 6.828 9.183 -6.253 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.973 8.745 -8.663 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.657 9.219 -8.751 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.540 6.447 -7.375 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.249 7.570 -9.144 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.226 4.013 -7.498 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.924 5.132 -9.259 1.00 0.00 H new ATOM 0 HH TYR A 41 8.359 3.100 -8.847 1.00 0.00 H new ATOM 836 N VAL A 52 8.396 4.103 0.645 1.00 0.00 N ATOM 837 CA VAL A 52 7.677 2.844 0.557 1.00 0.00 C ATOM 838 C VAL A 52 6.998 2.554 1.897 1.00 0.00 C ATOM 839 O VAL A 52 7.517 2.919 2.951 1.00 0.00 O ATOM 840 CB VAL A 52 8.626 1.729 0.114 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.079 0.355 0.506 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.896 1.803 -1.390 1.00 0.00 C ATOM 0 HA VAL A 52 6.893 2.904 -0.198 1.00 0.00 H new ATOM 0 HB VAL A 52 9.575 1.872 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.773 -0.420 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.963 0.305 1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.111 0.199 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.573 0.999 -1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.957 1.699 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.350 2.764 -1.631 1.00 0.00 H new ATOM 852 N ILE A 53 5.848 1.901 1.813 1.00 0.00 N ATOM 853 CA ILE A 53 5.094 1.559 3.007 1.00 0.00 C ATOM 854 C ILE A 53 4.718 0.076 2.959 1.00 0.00 C ATOM 855 O ILE A 53 3.731 -0.297 2.327 1.00 0.00 O ATOM 856 CB ILE A 53 3.893 2.493 3.168 1.00 0.00 C ATOM 857 CG1 ILE A 53 4.198 3.881 2.600 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.440 2.557 4.628 1.00 0.00 C ATOM 859 CD1 ILE A 53 2.962 4.781 2.661 1.00 0.00 C ATOM 0 H ILE A 53 5.420 1.600 0.937 1.00 0.00 H new ATOM 0 HA ILE A 53 5.704 1.706 3.898 1.00 0.00 H new ATOM 0 HB ILE A 53 3.063 2.085 2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.013 4.337 3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.535 3.790 1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.585 3.228 4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.155 1.560 4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.257 2.929 5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.205 5.761 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.157 4.334 2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.642 4.890 3.697 1.00 0.00 H new ATOM 871 N ASP A 54 5.524 -0.728 3.636 1.00 0.00 N ATOM 872 CA ASP A 54 5.289 -2.161 3.678 1.00 0.00 C ATOM 873 C ASP A 54 3.914 -2.429 4.295 1.00 0.00 C ATOM 874 O ASP A 54 3.747 -2.343 5.510 1.00 0.00 O ATOM 875 CB ASP A 54 6.339 -2.866 4.539 1.00 0.00 C ATOM 876 CG ASP A 54 6.885 -2.036 5.702 1.00 0.00 C ATOM 877 OD1 ASP A 54 6.253 -1.003 6.008 1.00 0.00 O ATOM 878 OD2 ASP A 54 7.923 -2.454 6.259 1.00 0.00 O ATOM 0 H ASP A 54 6.341 -0.414 4.160 1.00 0.00 H new ATOM 0 HA ASP A 54 5.344 -2.542 2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.904 -3.782 4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.172 -3.161 3.901 1.00 0.00 H new ATOM 883 N LEU A 55 2.965 -2.750 3.428 1.00 0.00 N ATOM 884 CA LEU A 55 1.610 -3.031 3.872 1.00 0.00 C ATOM 885 C LEU A 55 1.647 -4.109 4.957 1.00 0.00 C ATOM 886 O LEU A 55 0.751 -4.181 5.796 1.00 0.00 O ATOM 887 CB LEU A 55 0.719 -3.389 2.680 1.00 0.00 C ATOM 888 CG LEU A 55 0.572 -2.311 1.605 1.00 0.00 C ATOM 889 CD1 LEU A 55 -0.120 -2.868 0.360 1.00 0.00 C ATOM 890 CD2 LEU A 55 -0.148 -1.079 2.158 1.00 0.00 C ATOM 0 H LEU A 55 3.107 -2.822 2.421 1.00 0.00 H new ATOM 0 HA LEU A 55 1.164 -2.143 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.117 -4.289 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.274 -3.637 3.055 1.00 0.00 H new ATOM 0 HG LEU A 55 1.570 -1.992 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.212 -2.081 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.470 -3.689 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.112 -3.232 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.239 -0.328 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.141 -1.363 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.423 -0.667 2.990 1.00 0.00 H new ATOM 902 N ALA A 56 2.694 -4.920 4.906 1.00 0.00 N ATOM 903 CA ALA A 56 2.860 -5.990 5.874 1.00 0.00 C ATOM 904 C ALA A 56 3.124 -5.386 7.255 1.00 0.00 C ATOM 905 O ALA A 56 3.113 -6.096 8.259 1.00 0.00 O ATOM 906 CB ALA A 56 3.986 -6.920 5.419 1.00 0.00 C ATOM 0 H ALA A 56 3.436 -4.857 4.209 1.00 0.00 H new ATOM 0 HA ALA A 56 1.952 -6.588 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.111 -7.723 6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.736 -7.345 4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.915 -6.355 5.340 1.00 0.00 H new ATOM 912 N GLU A 57 3.356 -4.082 7.261 1.00 0.00 N ATOM 913 CA GLU A 57 3.623 -3.374 8.501 1.00 0.00 C ATOM 914 C GLU A 57 2.429 -2.494 8.878 1.00 0.00 C ATOM 915 O GLU A 57 2.562 -1.572 9.681 1.00 0.00 O ATOM 916 CB GLU A 57 4.904 -2.545 8.395 1.00 0.00 C ATOM 917 CG GLU A 57 6.143 -3.440 8.451 1.00 0.00 C ATOM 918 CD GLU A 57 7.260 -2.781 9.264 1.00 0.00 C ATOM 919 OE1 GLU A 57 7.266 -2.993 10.496 1.00 0.00 O ATOM 920 OE2 GLU A 57 8.081 -2.080 8.635 1.00 0.00 O ATOM 0 H GLU A 57 3.365 -3.497 6.426 1.00 0.00 H new ATOM 0 HA GLU A 57 3.771 -4.110 9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.900 -1.981 7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.939 -1.818 9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.882 -4.400 8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.496 -3.643 7.440 1.00 0.00 H new ATOM 927 N VAL A 58 1.290 -2.810 8.280 1.00 0.00 N ATOM 928 CA VAL A 58 0.074 -2.060 8.543 1.00 0.00 C ATOM 929 C VAL A 58 -0.772 -2.811 9.573 1.00 0.00 C ATOM 930 O VAL A 58 -1.098 -3.981 9.380 1.00 0.00 O ATOM 931 CB VAL A 58 -0.673 -1.798 7.233 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.072 -1.239 7.501 1.00 0.00 C ATOM 933 CG2 VAL A 58 0.126 -0.863 6.323 1.00 0.00 C ATOM 0 H VAL A 58 1.184 -3.575 7.614 1.00 0.00 H new ATOM 0 HA VAL A 58 0.312 -1.085 8.967 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.787 -2.751 6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.581 -1.062 6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.643 -1.956 8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.990 -0.301 8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.427 -0.694 5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.286 0.089 6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.089 -1.317 6.091 1.00 0.00 H new ATOM 943 N GLU A 59 -1.103 -2.107 10.646 1.00 0.00 N ATOM 944 CA GLU A 59 -1.904 -2.693 11.707 1.00 0.00 C ATOM 945 C GLU A 59 -3.377 -2.737 11.297 1.00 0.00 C ATOM 946 O GLU A 59 -4.103 -3.654 11.678 1.00 0.00 O ATOM 947 CB GLU A 59 -1.722 -1.925 13.018 1.00 0.00 C ATOM 948 CG GLU A 59 -0.289 -2.057 13.538 1.00 0.00 C ATOM 949 CD GLU A 59 -0.144 -1.411 14.917 1.00 0.00 C ATOM 950 OE1 GLU A 59 -0.506 -2.089 15.902 1.00 0.00 O ATOM 951 OE2 GLU A 59 0.326 -0.253 14.954 1.00 0.00 O ATOM 0 H GLU A 59 -0.831 -1.137 10.803 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.563 -3.715 11.872 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.961 -0.873 12.863 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.420 -2.304 13.765 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.015 -3.110 13.595 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.401 -1.586 12.838 1.00 0.00 H new ATOM 958 N ALA A 60 -3.774 -1.735 10.526 1.00 0.00 N ATOM 959 CA ALA A 60 -5.148 -1.649 10.060 1.00 0.00 C ATOM 960 C ALA A 60 -5.426 -0.227 9.567 1.00 0.00 C ATOM 961 O ALA A 60 -4.549 0.634 9.619 1.00 0.00 O ATOM 962 CB ALA A 60 -6.096 -2.072 11.184 1.00 0.00 C ATOM 0 H ALA A 60 -3.169 -0.976 10.212 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.313 -2.327 9.223 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.126 -2.007 10.834 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.876 -3.098 11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.962 -1.412 12.041 1.00 0.00 H new ATOM 968 N VAL A 61 -6.649 -0.026 9.100 1.00 0.00 N ATOM 969 CA VAL A 61 -7.054 1.276 8.598 1.00 0.00 C ATOM 970 C VAL A 61 -8.474 1.584 9.076 1.00 0.00 C ATOM 971 O VAL A 61 -9.232 0.673 9.406 1.00 0.00 O ATOM 972 CB VAL A 61 -6.914 1.316 7.075 1.00 0.00 C ATOM 973 CG1 VAL A 61 -7.035 -0.087 6.476 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.940 2.267 6.455 1.00 0.00 C ATOM 0 H VAL A 61 -7.373 -0.743 9.059 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.403 2.056 8.992 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.920 1.696 6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.932 -0.030 5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.250 -0.725 6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.009 -0.507 6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.819 2.277 5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.946 1.930 6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.787 3.273 6.846 1.00 0.00 H new ATOM 984 N ALA A 62 -8.791 2.870 9.099 1.00 0.00 N ATOM 985 CA ALA A 62 -10.107 3.309 9.531 1.00 0.00 C ATOM 986 C ALA A 62 -10.504 4.562 8.749 1.00 0.00 C ATOM 987 O ALA A 62 -9.657 5.396 8.434 1.00 0.00 O ATOM 988 CB ALA A 62 -10.096 3.543 11.043 1.00 0.00 C ATOM 0 H ALA A 62 -8.159 3.622 8.825 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.854 2.543 9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.083 3.872 11.367 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.837 2.615 11.553 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.360 4.309 11.287 1.00 0.00 H new ATOM 994 N PRO A 63 -11.828 4.659 8.452 1.00 0.00 N ATOM 995 CA PRO A 63 -12.348 5.797 7.713 1.00 0.00 C ATOM 996 C PRO A 63 -12.421 7.040 8.602 1.00 0.00 C ATOM 997 O PRO A 63 -13.332 7.171 9.418 1.00 0.00 O ATOM 998 CB PRO A 63 -13.708 5.348 7.205 1.00 0.00 C ATOM 999 CG PRO A 63 -14.100 4.155 8.062 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.860 3.691 8.809 1.00 0.00 C ATOM 0 HA PRO A 63 -11.705 6.090 6.883 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.442 6.149 7.292 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.660 5.073 6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.887 4.431 8.763 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.494 3.351 7.440 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.030 3.673 9.885 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.575 2.681 8.514 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.451 7.922 8.412 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.394 9.151 9.186 1.00 0.00 C ATOM 1010 C GLY A 64 -12.269 10.237 8.556 1.00 0.00 C ATOM 1011 O GLY A 64 -12.999 9.974 7.602 1.00 0.00 O ATOM 0 H GLY A 64 -10.698 7.810 7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.726 8.958 10.206 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.363 9.499 9.247 1.00 0.00 H new ATOM 1015 N THR A 65 -12.165 11.433 9.115 1.00 0.00 N ATOM 1016 CA THR A 65 -12.937 12.560 8.620 1.00 0.00 C ATOM 1017 C THR A 65 -12.016 13.590 7.963 1.00 0.00 C ATOM 1018 O THR A 65 -10.815 13.612 8.227 1.00 0.00 O ATOM 1019 CB THR A 65 -13.748 13.127 9.787 1.00 0.00 C ATOM 1020 OG1 THR A 65 -12.859 13.049 10.898 1.00 0.00 O ATOM 1021 CG2 THR A 65 -14.917 12.222 10.181 1.00 0.00 C ATOM 0 H THR A 65 -11.558 11.647 9.906 1.00 0.00 H new ATOM 0 HA THR A 65 -13.634 12.250 7.841 1.00 0.00 H new ATOM 0 HB THR A 65 -14.126 14.114 9.521 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.304 13.398 11.698 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.460 12.670 11.013 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.589 12.105 9.331 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.536 11.245 10.480 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.629 14.441 7.098 1.00 0.00 N ATOM 1030 CA PRO A 66 -11.878 15.472 6.402 1.00 0.00 C ATOM 1031 C PRO A 66 -11.528 16.626 7.343 1.00 0.00 C ATOM 1032 O PRO A 66 -12.416 17.247 7.926 1.00 0.00 O ATOM 1033 CB PRO A 66 -12.770 15.897 5.247 1.00 0.00 C ATOM 1034 CG PRO A 66 -14.170 15.427 5.607 1.00 0.00 C ATOM 1035 CD PRO A 66 -14.050 14.445 6.761 1.00 0.00 C ATOM 0 HA PRO A 66 -10.916 15.115 6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.744 16.978 5.111 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.436 15.450 4.311 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.796 16.273 5.890 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.645 14.952 4.749 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.658 14.756 7.611 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.391 13.451 6.472 1.00 0.00 H new ATOM 1043 N THR A 67 -10.233 16.878 7.463 1.00 0.00 N ATOM 1044 CA THR A 67 -9.755 17.947 8.323 1.00 0.00 C ATOM 1045 C THR A 67 -9.351 19.163 7.488 1.00 0.00 C ATOM 1046 O THR A 67 -9.625 19.218 6.291 1.00 0.00 O ATOM 1047 CB THR A 67 -8.615 17.391 9.179 1.00 0.00 C ATOM 1048 OG1 THR A 67 -7.683 16.884 8.228 1.00 0.00 O ATOM 1049 CG2 THR A 67 -9.034 16.159 9.983 1.00 0.00 C ATOM 0 H THR A 67 -9.500 16.360 6.979 1.00 0.00 H new ATOM 0 HA THR A 67 -10.541 18.298 8.991 1.00 0.00 H new ATOM 0 HB THR A 67 -8.261 18.165 9.860 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.959 17.532 8.102 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.189 15.805 10.573 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.856 16.421 10.649 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.356 15.372 9.301 1.00 0.00 H new ATOM 1057 N ILE A 68 -8.704 20.110 8.154 1.00 0.00 N ATOM 1058 CA ILE A 68 -8.259 21.322 7.488 1.00 0.00 C ATOM 1059 C ILE A 68 -7.040 21.004 6.620 1.00 0.00 C ATOM 1060 O ILE A 68 -6.141 20.281 7.048 1.00 0.00 O ATOM 1061 CB ILE A 68 -8.014 22.435 8.509 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -9.334 22.952 9.084 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -7.173 23.560 7.903 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -9.168 23.377 10.544 1.00 0.00 C ATOM 0 H ILE A 68 -8.478 20.062 9.147 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.035 21.698 6.822 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.443 22.018 9.338 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.685 23.798 8.493 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.095 22.175 9.012 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.014 24.338 8.650 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.210 23.162 7.582 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.695 23.983 7.045 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.121 23.740 10.928 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.840 22.523 11.137 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.424 24.171 10.609 1.00 0.00 H new ATOM 1076 N GLY A 69 -7.049 21.559 5.418 1.00 0.00 N ATOM 1077 CA GLY A 69 -5.955 21.344 4.486 1.00 0.00 C ATOM 1078 C GLY A 69 -6.359 20.365 3.382 1.00 0.00 C ATOM 1079 O GLY A 69 -5.997 20.549 2.221 1.00 0.00 O ATOM 0 H GLY A 69 -7.797 22.158 5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.658 22.295 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.088 20.957 5.021 1.00 0.00 H new ATOM 1083 N ALA A 70 -7.105 19.346 3.783 1.00 0.00 N ATOM 1084 CA ALA A 70 -7.563 18.338 2.842 1.00 0.00 C ATOM 1085 C ALA A 70 -8.263 19.024 1.667 1.00 0.00 C ATOM 1086 O ALA A 70 -8.586 20.209 1.738 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.474 17.343 3.563 1.00 0.00 C ATOM 0 H ALA A 70 -7.404 19.197 4.747 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.720 17.776 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.818 16.587 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.921 16.862 4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.334 17.870 3.977 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.483 18.229 0.585 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.139 18.747 -0.603 1.00 0.00 C ATOM 1095 C PRO A 71 -10.643 18.909 -0.373 1.00 0.00 C ATOM 1096 O PRO A 71 -11.236 18.174 0.415 1.00 0.00 O ATOM 1097 CB PRO A 71 -8.809 17.749 -1.701 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.376 16.476 -0.991 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.113 16.822 0.465 1.00 0.00 C ATOM 0 HA PRO A 71 -8.793 19.745 -0.873 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.676 17.566 -2.336 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.015 18.126 -2.346 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.151 15.713 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.478 16.067 -1.454 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.706 16.198 1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.067 16.664 0.727 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.216 19.874 -1.076 1.00 0.00 N ATOM 1108 CA LYS A 72 -12.639 20.141 -0.958 1.00 0.00 C ATOM 1109 C LYS A 72 -13.390 19.372 -2.047 1.00 0.00 C ATOM 1110 O LYS A 72 -14.489 19.760 -2.441 1.00 0.00 O ATOM 1111 CB LYS A 72 -12.905 21.648 -0.976 1.00 0.00 C ATOM 1112 CG LYS A 72 -12.974 22.209 0.446 1.00 0.00 C ATOM 1113 CD LYS A 72 -14.116 23.218 0.583 1.00 0.00 C ATOM 1114 CE LYS A 72 -13.964 24.048 1.859 1.00 0.00 C ATOM 1115 NZ LYS A 72 -15.221 24.768 2.162 1.00 0.00 N ATOM 0 H LYS A 72 -10.721 20.481 -1.729 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.015 19.785 0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.116 22.154 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.841 21.850 -1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.117 21.394 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.028 22.689 0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.129 23.878 -0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.071 22.692 0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.700 23.398 2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.149 24.762 1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.100 25.326 3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.456 25.403 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.991 24.082 2.296 1.00 0.00 H new ATOM 1129 N THR A 73 -12.767 18.295 -2.503 1.00 0.00 N ATOM 1130 CA THR A 73 -13.362 17.468 -3.539 1.00 0.00 C ATOM 1131 C THR A 73 -13.988 16.215 -2.925 1.00 0.00 C ATOM 1132 O THR A 73 -15.209 16.063 -2.924 1.00 0.00 O ATOM 1133 CB THR A 73 -12.282 17.161 -4.578 1.00 0.00 C ATOM 1134 OG1 THR A 73 -11.166 16.732 -3.802 1.00 0.00 O ATOM 1135 CG2 THR A 73 -11.779 18.419 -5.289 1.00 0.00 C ATOM 0 H THR A 73 -11.856 17.976 -2.174 1.00 0.00 H new ATOM 0 HA THR A 73 -14.177 17.988 -4.042 1.00 0.00 H new ATOM 0 HB THR A 73 -12.676 16.460 -5.314 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.335 16.963 -4.268 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.014 18.145 -6.016 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.610 18.904 -5.802 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.354 19.106 -4.557 1.00 0.00 H new ATOM 1143 N VAL A 74 -13.124 15.347 -2.419 1.00 0.00 N ATOM 1144 CA VAL A 74 -13.578 14.111 -1.804 1.00 0.00 C ATOM 1145 C VAL A 74 -14.506 14.440 -0.632 1.00 0.00 C ATOM 1146 O VAL A 74 -14.562 15.584 -0.183 1.00 0.00 O ATOM 1147 CB VAL A 74 -12.375 13.260 -1.392 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.446 14.038 -0.459 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -12.827 11.948 -0.748 1.00 0.00 C ATOM 0 H VAL A 74 -12.112 15.475 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.151 13.518 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.814 13.015 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.600 13.410 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.084 14.931 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.992 14.328 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.953 11.362 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.422 12.164 0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -13.428 11.382 -1.459 1.00 0.00 H new ATOM 1159 N ASP A 75 -15.211 13.417 -0.172 1.00 0.00 N ATOM 1160 CA ASP A 75 -16.133 13.583 0.938 1.00 0.00 C ATOM 1161 C ASP A 75 -15.503 13.011 2.209 1.00 0.00 C ATOM 1162 O ASP A 75 -14.325 12.656 2.217 1.00 0.00 O ATOM 1163 CB ASP A 75 -17.443 12.836 0.682 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.713 13.627 1.002 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -19.108 14.439 0.137 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -19.259 13.403 2.103 1.00 0.00 O ATOM 0 H ASP A 75 -15.162 12.470 -0.548 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.340 14.647 1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.474 12.537 -0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.444 11.921 1.275 1.00 0.00 H new ATOM 1171 N GLU A 76 -16.315 12.939 3.253 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.852 12.415 4.527 1.00 0.00 C ATOM 1173 C GLU A 76 -15.853 10.885 4.504 1.00 0.00 C ATOM 1174 O GLU A 76 -15.026 10.251 5.158 1.00 0.00 O ATOM 1175 CB GLU A 76 -16.705 12.946 5.681 1.00 0.00 C ATOM 1176 CG GLU A 76 -18.118 12.362 5.633 1.00 0.00 C ATOM 1177 CD GLU A 76 -19.148 13.373 6.142 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -18.967 14.571 5.832 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -20.091 12.925 6.828 1.00 0.00 O ATOM 0 H GLU A 76 -17.291 13.235 3.243 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.829 12.756 4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.235 12.693 6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.755 14.034 5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.361 12.073 4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.162 11.457 6.239 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.789 10.337 3.744 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.908 8.893 3.628 1.00 0.00 C ATOM 1188 C LYS A 77 -15.910 8.387 2.585 1.00 0.00 C ATOM 1189 O LYS A 77 -16.286 7.673 1.656 1.00 0.00 O ATOM 1190 CB LYS A 77 -18.357 8.497 3.336 1.00 0.00 C ATOM 1191 CG LYS A 77 -19.311 9.117 4.359 1.00 0.00 C ATOM 1192 CD LYS A 77 -20.749 9.119 3.836 1.00 0.00 C ATOM 1193 CE LYS A 77 -21.361 10.519 3.921 1.00 0.00 C ATOM 1194 NZ LYS A 77 -22.838 10.443 3.857 1.00 0.00 N ATOM 0 H LYS A 77 -17.472 10.866 3.202 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.655 8.412 4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.632 8.823 2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.452 7.411 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.261 8.558 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.999 10.138 4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.764 8.774 2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -21.351 8.419 4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.055 11.000 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.987 11.136 3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.238 11.401 3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -23.124 10.003 2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.191 9.871 4.651 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.657 8.776 2.773 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.603 8.370 1.860 1.00 0.00 C ATOM 1210 C ALA A 78 -12.274 8.310 2.616 1.00 0.00 C ATOM 1211 O ALA A 78 -11.578 7.297 2.577 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.555 9.334 0.673 1.00 0.00 C ATOM 0 H ALA A 78 -14.349 9.368 3.544 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.802 7.374 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.764 9.029 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.512 9.318 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.355 10.344 1.032 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.962 9.409 3.287 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.730 9.495 4.052 1.00 0.00 C ATOM 1220 C PHE A 79 -10.543 8.257 4.932 1.00 0.00 C ATOM 1221 O PHE A 79 -11.464 7.847 5.635 1.00 0.00 O ATOM 1222 CB PHE A 79 -10.844 10.730 4.947 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.626 12.054 4.212 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -11.659 12.643 3.552 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -9.400 12.642 4.218 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -11.457 13.872 2.870 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -9.198 13.871 3.536 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.231 14.460 2.876 1.00 0.00 C ATOM 0 H PHE A 79 -12.542 10.248 3.317 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.877 9.560 3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.831 10.741 5.409 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.115 10.650 5.754 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.633 12.176 3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.580 12.174 4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.277 14.340 2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.224 14.338 3.541 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.078 15.395 2.357 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.344 7.697 4.863 1.00 0.00 N ATOM 1239 CA PHE A 80 -9.024 6.515 5.644 1.00 0.00 C ATOM 1240 C PHE A 80 -7.594 6.584 6.184 1.00 0.00 C ATOM 1241 O PHE A 80 -6.650 6.801 5.426 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.144 5.313 4.706 1.00 0.00 C ATOM 1243 CG PHE A 80 -8.101 5.290 3.587 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.252 6.093 2.500 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -7.023 4.466 3.679 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.284 6.072 1.462 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -6.055 4.445 2.641 1.00 0.00 C ATOM 1248 CZ PHE A 80 -6.205 5.248 1.554 1.00 0.00 C ATOM 0 H PHE A 80 -8.582 8.040 4.278 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.701 6.437 6.494 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.054 4.398 5.291 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.139 5.310 4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.108 6.747 2.426 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.903 3.828 4.542 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.404 6.710 0.599 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.199 3.791 2.715 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.468 5.232 0.764 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.480 6.397 7.491 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.181 6.435 8.141 1.00 0.00 C ATOM 1260 C ASP A 81 -5.546 5.044 8.086 1.00 0.00 C ATOM 1261 O ASP A 81 -6.241 4.036 8.204 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.313 6.837 9.612 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.605 8.139 9.992 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -4.356 8.137 9.958 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -6.330 9.107 10.309 1.00 0.00 O ATOM 0 H ASP A 81 -8.265 6.219 8.117 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.565 7.168 7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.372 6.933 9.853 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.917 6.032 10.230 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.233 5.034 7.908 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.497 3.784 7.836 1.00 0.00 C ATOM 1272 C VAL A 82 -2.554 3.682 9.036 1.00 0.00 C ATOM 1273 O VAL A 82 -1.671 4.521 9.209 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.770 3.681 6.494 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.694 2.594 6.535 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.758 3.432 5.352 1.00 0.00 C ATOM 0 H VAL A 82 -3.660 5.872 7.812 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.180 2.936 7.886 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.276 4.634 6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.193 2.542 5.569 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.965 2.833 7.310 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.157 1.632 6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.215 3.363 4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.294 2.500 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.470 4.256 5.301 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.773 2.648 9.835 1.00 0.00 N ATOM 1287 CA LYS A 83 -1.954 2.426 11.014 1.00 0.00 C ATOM 1288 C LYS A 83 -0.850 1.420 10.681 1.00 0.00 C ATOM 1289 O LYS A 83 -1.121 0.359 10.121 1.00 0.00 O ATOM 1290 CB LYS A 83 -2.825 2.013 12.202 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.591 3.212 12.765 1.00 0.00 C ATOM 1292 CD LYS A 83 -5.068 2.872 12.970 1.00 0.00 C ATOM 1293 CE LYS A 83 -5.875 3.147 11.700 1.00 0.00 C ATOM 1294 NZ LYS A 83 -7.147 3.828 12.031 1.00 0.00 N ATOM 0 H LYS A 83 -3.506 1.954 9.689 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.462 3.351 11.316 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.529 1.241 11.890 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.200 1.578 12.982 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.149 3.517 13.714 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.500 4.058 12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.168 1.823 13.249 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.469 3.461 13.795 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.291 3.765 11.018 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.081 2.210 11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.508 4.318 11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.845 3.125 12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.983 4.520 12.790 1.00 0.00 H new ATOM 1308 N THR A 84 0.371 1.789 11.040 1.00 0.00 N ATOM 1309 CA THR A 84 1.516 0.932 10.786 1.00 0.00 C ATOM 1310 C THR A 84 2.432 0.889 12.011 1.00 0.00 C ATOM 1311 O THR A 84 2.140 1.512 13.031 1.00 0.00 O ATOM 1312 CB THR A 84 2.215 1.439 9.523 1.00 0.00 C ATOM 1313 OG1 THR A 84 2.033 2.852 9.568 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.494 1.011 8.243 1.00 0.00 C ATOM 0 H THR A 84 0.592 2.670 11.505 1.00 0.00 H new ATOM 0 HA THR A 84 1.208 -0.099 10.613 1.00 0.00 H new ATOM 0 HB THR A 84 3.240 1.070 9.503 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.902 3.194 8.659 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.031 1.397 7.377 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.458 -0.077 8.192 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.479 1.408 8.247 1.00 0.00 H new ATOM 1322 N THR A 85 3.521 0.148 11.871 1.00 0.00 N ATOM 1323 CA THR A 85 4.481 0.015 12.953 1.00 0.00 C ATOM 1324 C THR A 85 5.232 1.331 13.164 1.00 0.00 C ATOM 1325 O THR A 85 5.437 1.758 14.300 1.00 0.00 O ATOM 1326 CB THR A 85 5.400 -1.164 12.628 1.00 0.00 C ATOM 1327 OG1 THR A 85 6.183 -0.701 11.531 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.637 -2.363 12.062 1.00 0.00 C ATOM 0 H THR A 85 3.760 -0.367 11.024 1.00 0.00 H new ATOM 0 HA THR A 85 3.983 -0.194 13.900 1.00 0.00 H new ATOM 0 HB THR A 85 5.934 -1.467 13.529 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.715 -1.442 11.173 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.336 -3.171 11.849 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.901 -2.703 12.791 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.129 -2.070 11.143 1.00 0.00 H new ATOM 1336 N ARG A 86 5.621 1.938 12.053 1.00 0.00 N ATOM 1337 CA ARG A 86 6.345 3.197 12.102 1.00 0.00 C ATOM 1338 C ARG A 86 5.489 4.276 12.767 1.00 0.00 C ATOM 1339 O ARG A 86 5.802 4.733 13.866 1.00 0.00 O ATOM 1340 CB ARG A 86 6.738 3.661 10.698 1.00 0.00 C ATOM 1341 CG ARG A 86 7.882 2.813 10.140 1.00 0.00 C ATOM 1342 CD ARG A 86 7.854 2.792 8.610 1.00 0.00 C ATOM 1343 NE ARG A 86 9.202 2.482 8.083 1.00 0.00 N ATOM 1344 CZ ARG A 86 9.449 2.131 6.814 1.00 0.00 C ATOM 1345 NH1 ARG A 86 8.442 2.042 5.934 1.00 0.00 N ATOM 1346 NH2 ARG A 86 10.704 1.869 6.424 1.00 0.00 N ATOM 0 H ARG A 86 5.449 1.581 11.113 1.00 0.00 H new ATOM 0 HA ARG A 86 7.251 3.036 12.686 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.875 3.596 10.035 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.038 4.708 10.728 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.836 3.212 10.484 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.805 1.795 10.523 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.138 2.048 8.261 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.520 3.758 8.231 1.00 0.00 H new ATOM 0 HE ARG A 86 9.992 2.539 8.726 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.487 2.242 6.230 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.631 1.775 4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.471 1.937 7.093 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.893 1.602 5.458 1.00 0.00 H new ATOM 1360 N ARG A 87 4.424 4.653 12.074 1.00 0.00 N ATOM 1361 CA ARG A 87 3.520 5.670 12.585 1.00 0.00 C ATOM 1362 C ARG A 87 2.196 5.634 11.820 1.00 0.00 C ATOM 1363 O ARG A 87 2.029 4.839 10.896 1.00 0.00 O ATOM 1364 CB ARG A 87 4.135 7.065 12.462 1.00 0.00 C ATOM 1365 CG ARG A 87 4.306 7.462 10.994 1.00 0.00 C ATOM 1366 CD ARG A 87 5.648 8.162 10.768 1.00 0.00 C ATOM 1367 NE ARG A 87 5.595 8.968 9.527 1.00 0.00 N ATOM 1368 CZ ARG A 87 6.669 9.511 8.939 1.00 0.00 C ATOM 1369 NH1 ARG A 87 7.885 9.338 9.473 1.00 0.00 N ATOM 1370 NH2 ARG A 87 6.527 10.227 7.815 1.00 0.00 N ATOM 0 H ARG A 87 4.167 4.273 11.163 1.00 0.00 H new ATOM 0 HA ARG A 87 3.341 5.457 13.639 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.499 7.792 12.967 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.103 7.085 12.963 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.244 6.575 10.364 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.492 8.123 10.695 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.881 8.803 11.618 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.446 7.423 10.698 1.00 0.00 H new ATOM 0 HE ARG A 87 4.684 9.119 9.093 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.994 8.792 10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.702 9.752 9.025 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.601 10.358 7.408 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.345 10.641 7.367 1.00 0.00 H new ATOM 1384 N VAL A 88 1.287 6.507 12.232 1.00 0.00 N ATOM 1385 CA VAL A 88 -0.017 6.585 11.597 1.00 0.00 C ATOM 1386 C VAL A 88 0.090 7.426 10.324 1.00 0.00 C ATOM 1387 O VAL A 88 0.856 8.388 10.273 1.00 0.00 O ATOM 1388 CB VAL A 88 -1.049 7.129 12.588 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.221 7.783 11.854 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.538 6.027 13.530 1.00 0.00 C ATOM 0 H VAL A 88 1.429 7.166 12.998 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.359 5.593 11.303 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.563 7.895 13.192 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.940 8.161 12.581 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.853 8.608 11.244 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.706 7.046 11.214 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.270 6.440 14.224 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.999 5.229 12.948 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.693 5.626 14.090 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.688 7.034 9.326 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.690 7.739 8.056 1.00 0.00 C ATOM 1402 C TYR A 89 -2.101 8.201 7.687 1.00 0.00 C ATOM 1403 O TYR A 89 -3.074 7.487 7.927 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.207 6.730 7.012 1.00 0.00 C ATOM 1405 CG TYR A 89 1.229 6.250 7.229 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.226 7.161 7.513 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.528 4.905 7.140 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.578 6.708 7.717 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.879 4.453 7.344 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.838 5.377 7.623 1.00 0.00 C ATOM 1411 OH TYR A 89 5.115 4.950 7.815 1.00 0.00 O ATOM 0 H TYR A 89 -1.322 6.236 9.371 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.055 8.623 8.108 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.873 5.867 7.020 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.283 7.182 6.023 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.993 8.213 7.582 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.748 4.192 6.917 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.368 7.410 7.940 1.00 0.00 H new ATOM 0 HE2 TYR A 89 3.126 3.404 7.277 1.00 0.00 H new ATOM 0 HH TYR A 89 5.152 3.975 7.719 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.169 9.392 7.111 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.445 9.957 6.707 1.00 0.00 C ATOM 1423 C ASN A 90 -3.542 9.946 5.180 1.00 0.00 C ATOM 1424 O ASN A 90 -2.749 10.596 4.499 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.580 11.406 7.179 1.00 0.00 C ATOM 1426 CG ASN A 90 -4.744 11.556 8.160 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -5.885 11.767 7.783 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -4.393 11.437 9.437 1.00 0.00 N ATOM 0 H ASN A 90 -1.360 9.982 6.914 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.237 9.357 7.155 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.654 11.725 7.657 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.737 12.059 6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -5.098 11.522 10.170 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.419 11.260 9.684 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.520 9.201 4.686 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.731 9.098 3.252 1.00 0.00 C ATOM 1437 C PHE A 91 -6.216 9.219 2.906 1.00 0.00 C ATOM 1438 O PHE A 91 -7.076 9.013 3.762 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.231 7.716 2.825 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.728 7.510 3.020 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.868 8.544 2.817 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.251 6.293 3.396 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.473 8.354 2.997 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.855 6.103 3.576 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.004 7.137 3.373 1.00 0.00 C ATOM 0 H PHE A 91 -5.175 8.663 5.253 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.200 9.900 2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.768 6.956 3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.475 7.562 1.774 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.247 9.510 2.519 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.933 5.472 3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.209 9.175 2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.476 5.137 3.874 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.065 6.992 3.510 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.473 9.553 1.650 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.840 9.704 1.180 1.00 0.00 C ATOM 1457 C CYS A 92 -7.827 9.689 -0.349 1.00 0.00 C ATOM 1458 O CYS A 92 -6.907 10.220 -0.971 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.491 10.974 1.733 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.518 12.443 1.237 1.00 0.00 S ATOM 0 H CYS A 92 -5.758 9.723 0.943 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.446 8.875 1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.512 11.061 1.361 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.552 10.918 2.820 1.00 0.00 H new ATOM 0 HG CYS A 92 -7.863 13.460 1.970 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.857 9.076 -0.912 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.976 8.984 -2.358 1.00 0.00 C ATOM 1468 C ALA A 93 -9.760 10.191 -2.878 1.00 0.00 C ATOM 1469 O ALA A 93 -10.124 11.078 -2.108 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.633 7.655 -2.733 1.00 0.00 C ATOM 0 H ALA A 93 -9.618 8.638 -0.393 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.992 9.004 -2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.722 7.586 -3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.022 6.831 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.624 7.600 -2.283 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.997 10.185 -4.182 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.731 11.267 -4.814 1.00 0.00 C ATOM 1478 C GLN A 94 -12.178 10.844 -5.078 1.00 0.00 C ATOM 1479 O GLN A 94 -12.719 11.108 -6.150 1.00 0.00 O ATOM 1480 CB GLN A 94 -10.046 11.714 -6.106 1.00 0.00 C ATOM 1481 CG GLN A 94 -9.165 12.941 -5.864 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.669 14.144 -6.665 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -10.697 14.732 -6.370 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -8.891 14.476 -7.691 1.00 0.00 N ATOM 0 H GLN A 94 -9.693 9.447 -4.818 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.740 12.119 -4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.440 10.899 -6.501 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.799 11.945 -6.860 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.158 13.184 -4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.137 12.716 -6.147 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.044 13.941 -7.882 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.142 15.265 -8.287 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.762 10.193 -4.083 1.00 0.00 N ATOM 1494 CA ASP A 95 -14.135 9.731 -4.195 1.00 0.00 C ATOM 1495 C ASP A 95 -14.491 8.902 -2.959 1.00 0.00 C ATOM 1496 O ASP A 95 -13.624 8.268 -2.360 1.00 0.00 O ATOM 1497 CB ASP A 95 -14.318 8.844 -5.428 1.00 0.00 C ATOM 1498 CG ASP A 95 -15.561 9.152 -6.266 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -16.479 9.790 -5.708 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -15.564 8.742 -7.447 1.00 0.00 O ATOM 0 H ASP A 95 -12.309 9.974 -3.195 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.780 10.605 -4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.437 8.942 -6.062 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.364 7.804 -5.105 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.770 8.934 -2.613 1.00 0.00 N ATOM 1506 CA VAL A 96 -16.252 8.194 -1.460 1.00 0.00 C ATOM 1507 C VAL A 96 -15.994 6.701 -1.673 1.00 0.00 C ATOM 1508 O VAL A 96 -15.497 6.019 -0.777 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.727 8.515 -1.211 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.486 7.275 -0.735 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.877 9.666 -0.213 1.00 0.00 C ATOM 0 H VAL A 96 -16.487 9.461 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.712 8.493 -0.562 1.00 0.00 H new ATOM 0 HB VAL A 96 -18.165 8.833 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.532 7.531 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.422 6.495 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -18.046 6.913 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.935 9.874 -0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -17.415 9.389 0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -17.388 10.556 -0.608 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.352 6.224 -2.895 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.164 4.825 -3.237 1.00 0.00 C ATOM 1523 C PRO A 97 -14.689 4.521 -3.512 1.00 0.00 C ATOM 1524 O PRO A 97 -14.090 3.679 -2.844 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.053 4.592 -4.447 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.346 5.969 -5.020 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.943 7.002 -3.980 1.00 0.00 C ATOM 0 HA PRO A 97 -16.438 4.153 -2.423 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.554 3.961 -5.183 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -17.974 4.083 -4.163 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.792 6.123 -5.946 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.404 6.064 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.229 7.718 -4.388 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.805 7.573 -3.634 1.00 0.00 H new ATOM 1535 N SER A 98 -14.147 5.222 -4.496 1.00 0.00 N ATOM 1536 CA SER A 98 -12.754 5.038 -4.868 1.00 0.00 C ATOM 1537 C SER A 98 -11.899 4.851 -3.613 1.00 0.00 C ATOM 1538 O SER A 98 -10.870 4.177 -3.654 1.00 0.00 O ATOM 1539 CB SER A 98 -12.241 6.224 -5.688 1.00 0.00 C ATOM 1540 OG SER A 98 -12.822 6.263 -6.989 1.00 0.00 O ATOM 0 H SER A 98 -14.647 5.919 -5.048 1.00 0.00 H new ATOM 0 HA SER A 98 -12.680 4.144 -5.488 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.465 7.152 -5.163 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.156 6.162 -5.777 1.00 0.00 H new ATOM 0 HG SER A 98 -12.471 7.035 -7.481 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.355 5.459 -2.528 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.644 5.368 -1.264 1.00 0.00 C ATOM 1548 C ALA A 99 -11.872 3.983 -0.655 1.00 0.00 C ATOM 1549 O ALA A 99 -10.917 3.283 -0.320 1.00 0.00 O ATOM 1550 CB ALA A 99 -12.104 6.495 -0.337 1.00 0.00 C ATOM 0 H ALA A 99 -13.208 6.017 -2.498 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.572 5.489 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.571 6.427 0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.894 7.458 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -13.175 6.404 -0.158 1.00 0.00 H new ATOM 1556 N GLN A 100 -13.142 3.628 -0.529 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.508 2.340 0.034 1.00 0.00 C ATOM 1558 C GLN A 100 -12.671 1.227 -0.600 1.00 0.00 C ATOM 1559 O GLN A 100 -12.243 0.299 0.085 1.00 0.00 O ATOM 1560 CB GLN A 100 -15.003 2.069 -0.141 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.840 3.105 0.612 1.00 0.00 C ATOM 1562 CD GLN A 100 -16.116 2.650 2.046 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -15.601 1.649 2.517 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -16.955 3.439 2.712 1.00 0.00 N ATOM 0 H GLN A 100 -13.931 4.211 -0.808 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.300 2.361 1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.258 2.090 -1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.240 1.070 0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.317 4.061 0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.783 3.265 0.090 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.350 4.262 2.258 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.203 3.221 3.677 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.463 1.356 -1.902 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.685 0.372 -2.637 1.00 0.00 C ATOM 1575 C GLN A 101 -10.227 0.393 -2.172 1.00 0.00 C ATOM 1576 O GLN A 101 -9.578 -0.649 -2.106 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.783 0.611 -4.145 1.00 0.00 C ATOM 1578 CG GLN A 101 -13.191 0.306 -4.658 1.00 0.00 C ATOM 1579 CD GLN A 101 -13.139 -0.423 -6.002 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -12.188 -1.115 -6.326 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -14.212 -0.231 -6.764 1.00 0.00 N ATOM 0 H GLN A 101 -12.819 2.127 -2.467 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.097 -0.616 -2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.526 1.646 -4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -11.059 -0.017 -4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.723 -0.305 -3.929 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.752 1.234 -4.765 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.974 0.361 -6.432 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.273 -0.676 -7.680 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.756 1.592 -1.860 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.388 1.763 -1.403 1.00 0.00 C ATOM 1592 C TRP A 102 -8.233 1.008 -0.081 1.00 0.00 C ATOM 1593 O TRP A 102 -7.256 0.287 0.115 1.00 0.00 O ATOM 1594 CB TRP A 102 -8.028 3.246 -1.290 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.325 3.811 -2.526 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.824 4.642 -3.451 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.965 3.552 -2.935 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.889 4.936 -4.423 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.723 4.252 -4.099 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.973 2.753 -2.341 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.494 4.223 -4.770 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.751 2.734 -3.023 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.491 3.433 -4.196 1.00 0.00 C ATOM 0 H TRP A 102 -10.298 2.454 -1.915 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.686 1.348 -2.126 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.938 3.818 -1.109 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.385 3.388 -0.422 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.831 5.033 -3.438 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.028 5.543 -5.231 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -5.140 2.197 -1.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.329 4.780 -5.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.954 2.134 -2.609 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.519 3.367 -4.663 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.212 1.199 0.790 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.197 0.546 2.088 1.00 0.00 C ATOM 1616 C VAL A 103 -9.235 -0.971 1.891 1.00 0.00 C ATOM 1617 O VAL A 103 -8.285 -1.670 2.241 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.350 1.065 2.949 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.505 0.228 4.221 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.159 2.545 3.286 1.00 0.00 C ATOM 0 H VAL A 103 -10.021 1.797 0.623 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.277 0.782 2.623 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.269 0.969 2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.331 0.618 4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.709 -0.808 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.585 0.277 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.992 2.889 3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.227 2.676 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.122 3.126 2.365 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.342 -1.436 1.329 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.515 -2.857 1.081 1.00 0.00 C ATOM 1632 C ASP A 104 -9.206 -3.440 0.546 1.00 0.00 C ATOM 1633 O ASP A 104 -8.801 -4.532 0.942 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.605 -3.104 0.036 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.857 -3.809 0.562 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -12.803 -4.272 1.722 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -13.840 -3.868 -0.208 1.00 0.00 O ATOM 0 H ASP A 104 -11.127 -0.854 1.039 1.00 0.00 H new ATOM 0 HA ASP A 104 -10.801 -3.331 2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -11.899 -2.146 -0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.183 -3.700 -0.773 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.580 -2.686 -0.346 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.325 -3.115 -0.939 1.00 0.00 C ATOM 1644 C ARG A 105 -6.258 -3.288 0.143 1.00 0.00 C ATOM 1645 O ARG A 105 -5.724 -4.381 0.325 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.832 -2.103 -1.976 1.00 0.00 C ATOM 1647 CG ARG A 105 -7.180 -2.558 -3.395 1.00 0.00 C ATOM 1648 CD ARG A 105 -6.782 -1.497 -4.423 1.00 0.00 C ATOM 1649 NE ARG A 105 -7.723 -1.521 -5.565 1.00 0.00 N ATOM 1650 CZ ARG A 105 -7.754 -2.487 -6.493 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -6.895 -3.513 -6.421 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -8.642 -2.426 -7.494 1.00 0.00 N ATOM 0 H ARG A 105 -8.919 -1.781 -0.672 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.501 -4.070 -1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.282 -1.129 -1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.753 -1.979 -1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.668 -3.494 -3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.250 -2.755 -3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.785 -0.510 -3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.767 -1.681 -4.774 1.00 0.00 H new ATOM 0 HE ARG A 105 -8.390 -0.754 -5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -6.218 -3.559 -5.660 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.919 -4.248 -7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.295 -1.644 -7.550 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -8.666 -3.161 -8.200 1.00 0.00 H new ATOM 1666 N ILE A 106 -5.979 -2.192 0.834 1.00 0.00 N ATOM 1667 CA ILE A 106 -4.985 -2.208 1.894 1.00 0.00 C ATOM 1668 C ILE A 106 -5.379 -3.252 2.941 1.00 0.00 C ATOM 1669 O ILE A 106 -4.535 -4.012 3.414 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.791 -0.804 2.468 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.327 0.172 1.385 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -3.837 -0.827 3.665 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.906 1.569 1.621 1.00 0.00 C ATOM 0 H ILE A 106 -6.424 -1.287 0.680 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.012 -2.503 1.500 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.755 -0.448 2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.238 0.222 1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.636 -0.193 0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.717 0.184 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.247 -1.469 4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.867 -1.212 3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.561 2.243 0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.995 1.519 1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.576 1.941 2.591 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.662 -3.255 3.273 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.178 -4.193 4.256 1.00 0.00 C ATOM 1687 C GLN A 107 -7.084 -5.624 3.724 1.00 0.00 C ATOM 1688 O GLN A 107 -7.003 -6.575 4.500 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.617 -3.845 4.642 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.662 -3.111 5.984 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.106 -4.050 7.108 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -9.104 -5.263 6.975 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -9.485 -3.424 8.218 1.00 0.00 N ATOM 0 H GLN A 107 -7.359 -2.623 2.879 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.567 -4.120 5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.065 -3.222 3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.212 -4.756 4.702 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.677 -2.704 6.213 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.348 -2.267 5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.462 -2.405 8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.799 -3.963 9.025 1.00 0.00 H new ATOM 1702 N SER A 108 -7.098 -5.733 2.403 1.00 0.00 N ATOM 1703 CA SER A 108 -7.016 -7.033 1.759 1.00 0.00 C ATOM 1704 C SER A 108 -5.593 -7.584 1.874 1.00 0.00 C ATOM 1705 O SER A 108 -5.338 -8.732 1.512 1.00 0.00 O ATOM 1706 CB SER A 108 -7.434 -6.947 0.290 1.00 0.00 C ATOM 1707 OG SER A 108 -7.323 -8.204 -0.372 1.00 0.00 O ATOM 0 H SER A 108 -7.165 -4.943 1.762 1.00 0.00 H new ATOM 0 HA SER A 108 -7.704 -7.710 2.265 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.463 -6.594 0.226 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.812 -6.212 -0.221 1.00 0.00 H new ATOM 0 HG SER A 108 -6.587 -8.717 0.022 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.705 -6.742 2.380 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.315 -7.131 2.547 1.00 0.00 C ATOM 1715 C CYS A 109 -2.769 -6.436 3.796 1.00 0.00 C ATOM 1716 O CYS A 109 -1.912 -5.558 3.698 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.484 -6.807 1.304 1.00 0.00 C ATOM 1718 SG CYS A 109 -1.746 -8.340 0.629 1.00 0.00 S ATOM 0 H CYS A 109 -4.921 -5.791 2.680 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.250 -8.211 2.676 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -3.112 -6.333 0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.698 -6.096 1.557 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.044 -8.055 -0.428 1.00 0.00 H new