USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 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 84 CYS SG : rot -132:sc= 1.07 USER MOD Set 1.2: A 87 CYS SG : rot 135:sc= 0.738 USER MOD Set 1.3: A 105 CYS SG : rot -45:sc= -0.38 USER MOD Set 1.4: A 108 CYS SG : rot 148:sc= -0.416 USER MOD Set 2.1: A 80 THR OG1 : rot 170:sc= -0.164 USER MOD Set 2.2: A 83 THR OG1 : rot 104:sc= 0.677 USER MOD Single : A 8 ASN : amide:sc= -0.0175 K(o=-0.018,f=-1.1) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.547 K(o=-0.55,f=-2.2!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 63 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.56) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0756) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 175:sc= 0.877 (180deg=0.858) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -116:sc= 1.28 USER MOD Single : A 106 GLN : amide:sc= -0.0377 X(o=-0.038,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 10.772 9.224 -11.153 1.00 0.00 N ATOM 97 CA ASN A 8 11.911 9.791 -10.406 1.00 0.00 C ATOM 98 C ASN A 8 11.371 10.840 -9.425 1.00 0.00 C ATOM 99 O ASN A 8 11.323 12.039 -9.732 1.00 0.00 O ATOM 100 CB ASN A 8 12.995 10.376 -11.361 1.00 0.00 C ATOM 101 CG ASN A 8 13.760 9.293 -12.136 1.00 0.00 C ATOM 102 OD1 ASN A 8 13.884 8.162 -11.675 1.00 0.00 O ATOM 103 ND2 ASN A 8 14.281 9.628 -13.304 1.00 0.00 N ATOM 0 HA ASN A 8 12.412 9.002 -9.845 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.519 11.054 -12.069 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.703 10.967 -10.780 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.802 8.939 -13.847 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.162 10.575 -13.663 1.00 0.00 H new ATOM 110 N VAL A 9 10.925 10.338 -8.250 1.00 0.00 N ATOM 111 CA VAL A 9 10.226 11.126 -7.216 1.00 0.00 C ATOM 112 C VAL A 9 11.041 12.361 -6.783 1.00 0.00 C ATOM 113 O VAL A 9 10.473 13.434 -6.621 1.00 0.00 O ATOM 114 CB VAL A 9 9.890 10.248 -5.945 1.00 0.00 C ATOM 115 CG1 VAL A 9 9.187 11.072 -4.850 1.00 0.00 C ATOM 116 CG2 VAL A 9 9.034 9.013 -6.299 1.00 0.00 C ATOM 0 H VAL A 9 11.044 9.358 -7.993 1.00 0.00 H new ATOM 0 HA VAL A 9 9.295 11.466 -7.669 1.00 0.00 H new ATOM 0 HB VAL A 9 10.848 9.900 -5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.973 10.432 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.835 11.891 -4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.254 11.477 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.829 8.441 -5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.093 9.338 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.574 8.387 -7.009 1.00 0.00 H new ATOM 126 N GLU A 10 12.365 12.183 -6.617 1.00 0.00 N ATOM 127 CA GLU A 10 13.287 13.249 -6.161 1.00 0.00 C ATOM 128 C GLU A 10 13.306 14.444 -7.137 1.00 0.00 C ATOM 129 O GLU A 10 13.356 15.601 -6.706 1.00 0.00 O ATOM 130 CB GLU A 10 14.717 12.678 -5.984 1.00 0.00 C ATOM 131 CG GLU A 10 15.753 13.693 -5.449 1.00 0.00 C ATOM 132 CD GLU A 10 17.172 13.116 -5.349 1.00 0.00 C ATOM 133 OE1 GLU A 10 17.888 13.094 -6.372 1.00 0.00 O ATOM 134 OE2 GLU A 10 17.574 12.660 -4.258 1.00 0.00 O ATOM 0 H GLU A 10 12.831 11.293 -6.795 1.00 0.00 H new ATOM 0 HA GLU A 10 12.924 13.614 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.673 11.829 -5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.064 12.297 -6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.768 14.565 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.438 14.038 -4.464 1.00 0.00 H new ATOM 141 N SER A 11 13.261 14.137 -8.449 1.00 0.00 N ATOM 142 CA SER A 11 13.209 15.151 -9.518 1.00 0.00 C ATOM 143 C SER A 11 11.919 15.983 -9.393 1.00 0.00 C ATOM 144 O SER A 11 11.933 17.218 -9.511 1.00 0.00 O ATOM 145 CB SER A 11 13.269 14.450 -10.897 1.00 0.00 C ATOM 146 OG SER A 11 14.386 13.575 -10.975 1.00 0.00 O ATOM 0 H SER A 11 13.260 13.178 -8.796 1.00 0.00 H new ATOM 0 HA SER A 11 14.063 15.822 -9.424 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.350 13.888 -11.064 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.333 15.198 -11.687 1.00 0.00 H new ATOM 0 HG SER A 11 14.402 13.142 -11.854 1.00 0.00 H new ATOM 152 N TYR A 12 10.818 15.267 -9.109 1.00 0.00 N ATOM 153 CA TYR A 12 9.492 15.864 -8.928 1.00 0.00 C ATOM 154 C TYR A 12 9.421 16.645 -7.605 1.00 0.00 C ATOM 155 O TYR A 12 8.769 17.665 -7.529 1.00 0.00 O ATOM 156 CB TYR A 12 8.398 14.765 -8.986 1.00 0.00 C ATOM 157 CG TYR A 12 8.380 13.969 -10.308 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.398 14.629 -11.538 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.346 12.572 -10.329 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.373 13.931 -12.725 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.323 11.870 -11.517 1.00 0.00 C ATOM 162 CZ TYR A 12 8.341 12.553 -12.709 1.00 0.00 C ATOM 163 OH TYR A 12 8.304 11.852 -13.893 1.00 0.00 O ATOM 0 H TYR A 12 10.827 14.253 -8.999 1.00 0.00 H new ATOM 0 HA TYR A 12 9.314 16.569 -9.740 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.549 14.072 -8.158 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.423 15.229 -8.840 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.432 15.708 -11.559 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.338 12.030 -9.395 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.378 14.462 -13.666 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.291 10.790 -11.510 1.00 0.00 H new ATOM 0 HH TYR A 12 8.286 10.891 -13.704 1.00 0.00 H new ATOM 173 N GLU A 13 10.143 16.170 -6.589 1.00 0.00 N ATOM 174 CA GLU A 13 10.124 16.730 -5.240 1.00 0.00 C ATOM 175 C GLU A 13 10.747 18.135 -5.231 1.00 0.00 C ATOM 176 O GLU A 13 10.119 19.108 -4.785 1.00 0.00 O ATOM 177 CB GLU A 13 10.887 15.740 -4.318 1.00 0.00 C ATOM 178 CG GLU A 13 10.659 15.905 -2.808 1.00 0.00 C ATOM 179 CD GLU A 13 11.604 16.904 -2.129 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.800 16.574 -1.966 1.00 0.00 O ATOM 181 OE2 GLU A 13 11.169 18.008 -1.752 1.00 0.00 O ATOM 0 H GLU A 13 10.769 15.370 -6.684 1.00 0.00 H new ATOM 0 HA GLU A 13 9.103 16.850 -4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.605 14.725 -4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.954 15.841 -4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.631 16.226 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.772 14.933 -2.328 1.00 0.00 H new ATOM 188 N LYS A 14 11.976 18.222 -5.772 1.00 0.00 N ATOM 189 CA LYS A 14 12.740 19.479 -5.838 1.00 0.00 C ATOM 190 C LYS A 14 12.023 20.529 -6.713 1.00 0.00 C ATOM 191 O LYS A 14 11.924 21.695 -6.311 1.00 0.00 O ATOM 192 CB LYS A 14 14.192 19.235 -6.347 1.00 0.00 C ATOM 193 CG LYS A 14 14.298 18.595 -7.748 1.00 0.00 C ATOM 194 CD LYS A 14 15.744 18.528 -8.285 1.00 0.00 C ATOM 195 CE LYS A 14 16.361 19.916 -8.531 1.00 0.00 C ATOM 196 NZ LYS A 14 17.752 19.825 -9.052 1.00 0.00 N ATOM 0 H LYS A 14 12.466 17.423 -6.175 1.00 0.00 H new ATOM 0 HA LYS A 14 12.801 19.873 -4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.721 20.188 -6.359 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.708 18.594 -5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.885 17.587 -7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.685 19.165 -8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.364 17.982 -7.574 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.753 17.962 -9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.744 20.466 -9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.359 20.483 -7.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.129 20.782 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.348 19.323 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.752 19.306 -9.953 1.00 0.00 H new ATOM 210 N ILE A 15 11.487 20.097 -7.889 1.00 0.00 N ATOM 211 CA ILE A 15 10.831 21.020 -8.843 1.00 0.00 C ATOM 212 C ILE A 15 9.552 21.617 -8.211 1.00 0.00 C ATOM 213 O ILE A 15 9.229 22.781 -8.439 1.00 0.00 O ATOM 214 CB ILE A 15 10.519 20.317 -10.234 1.00 0.00 C ATOM 215 CG1 ILE A 15 10.221 21.362 -11.361 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.355 19.308 -10.127 1.00 0.00 C ATOM 217 CD1 ILE A 15 10.025 20.754 -12.748 1.00 0.00 C ATOM 0 H ILE A 15 11.499 19.123 -8.192 1.00 0.00 H new ATOM 0 HA ILE A 15 11.525 21.833 -9.056 1.00 0.00 H new ATOM 0 HB ILE A 15 11.420 19.767 -10.505 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.325 21.922 -11.093 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.043 22.077 -11.404 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.178 18.852 -11.101 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.611 18.533 -9.405 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.454 19.826 -9.799 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.823 21.547 -13.468 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.928 20.219 -13.042 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.184 20.061 -12.726 1.00 0.00 H new ATOM 229 N LEU A 16 8.867 20.814 -7.364 1.00 0.00 N ATOM 230 CA LEU A 16 7.656 21.250 -6.641 1.00 0.00 C ATOM 231 C LEU A 16 7.983 22.334 -5.602 1.00 0.00 C ATOM 232 O LEU A 16 7.188 23.257 -5.409 1.00 0.00 O ATOM 233 CB LEU A 16 6.941 20.043 -5.969 1.00 0.00 C ATOM 234 CG LEU A 16 6.191 19.070 -6.934 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.554 17.883 -6.172 1.00 0.00 C ATOM 236 CD2 LEU A 16 5.153 19.820 -7.787 1.00 0.00 C ATOM 0 H LEU A 16 9.139 19.851 -7.165 1.00 0.00 H new ATOM 0 HA LEU A 16 6.976 21.684 -7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.683 19.471 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.224 20.428 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 16 6.932 18.650 -7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.042 17.230 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.333 17.321 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.838 18.261 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.648 19.116 -8.448 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.420 20.294 -7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.655 20.582 -8.384 1.00 0.00 H new ATOM 248 N ARG A 17 9.155 22.216 -4.943 1.00 0.00 N ATOM 249 CA ARG A 17 9.618 23.226 -3.967 1.00 0.00 C ATOM 250 C ARG A 17 9.860 24.583 -4.655 1.00 0.00 C ATOM 251 O ARG A 17 9.503 25.626 -4.114 1.00 0.00 O ATOM 252 CB ARG A 17 10.911 22.780 -3.245 1.00 0.00 C ATOM 253 CG ARG A 17 10.804 21.451 -2.468 1.00 0.00 C ATOM 254 CD ARG A 17 12.087 21.130 -1.676 1.00 0.00 C ATOM 255 NE ARG A 17 13.288 21.139 -2.534 1.00 0.00 N ATOM 256 CZ ARG A 17 14.266 20.223 -2.525 1.00 0.00 C ATOM 257 NH1 ARG A 17 14.134 19.088 -1.857 1.00 0.00 N ATOM 258 NH2 ARG A 17 15.347 20.429 -3.258 1.00 0.00 N ATOM 0 H ARG A 17 9.797 21.433 -5.068 1.00 0.00 H new ATOM 0 HA ARG A 17 8.828 23.331 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.707 22.688 -3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.210 23.565 -2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.959 21.502 -1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.599 20.640 -3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.209 21.859 -0.875 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.986 20.152 -1.205 1.00 0.00 H new ATOM 0 HE ARG A 17 13.382 21.912 -3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.277 18.899 -1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.889 18.403 -1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.428 21.276 -3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.100 19.741 -3.261 1.00 0.00 H new ATOM 272 N ASP A 18 10.463 24.542 -5.857 1.00 0.00 N ATOM 273 CA ASP A 18 10.779 25.756 -6.643 1.00 0.00 C ATOM 274 C ASP A 18 9.503 26.424 -7.185 1.00 0.00 C ATOM 275 O ASP A 18 9.398 27.656 -7.200 1.00 0.00 O ATOM 276 CB ASP A 18 11.726 25.409 -7.814 1.00 0.00 C ATOM 277 CG ASP A 18 13.138 25.002 -7.364 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.914 25.891 -6.952 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.481 23.807 -7.440 1.00 0.00 O ATOM 0 H ASP A 18 10.745 23.673 -6.312 1.00 0.00 H new ATOM 0 HA ASP A 18 11.275 26.460 -5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.290 24.596 -8.394 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.800 26.270 -8.478 1.00 0.00 H new ATOM 284 N ARG A 19 8.550 25.586 -7.643 1.00 0.00 N ATOM 285 CA ARG A 19 7.249 26.044 -8.172 1.00 0.00 C ATOM 286 C ARG A 19 6.444 26.733 -7.073 1.00 0.00 C ATOM 287 O ARG A 19 5.980 27.846 -7.255 1.00 0.00 O ATOM 288 CB ARG A 19 6.448 24.852 -8.803 1.00 0.00 C ATOM 289 CG ARG A 19 6.638 24.643 -10.330 1.00 0.00 C ATOM 290 CD ARG A 19 8.113 24.554 -10.773 1.00 0.00 C ATOM 291 NE ARG A 19 8.782 25.870 -10.873 1.00 0.00 N ATOM 292 CZ ARG A 19 10.107 26.054 -10.983 1.00 0.00 C ATOM 293 NH1 ARG A 19 10.930 25.016 -11.094 1.00 0.00 N ATOM 294 NH2 ARG A 19 10.599 27.289 -10.980 1.00 0.00 N ATOM 0 H ARG A 19 8.661 24.572 -7.656 1.00 0.00 H new ATOM 0 HA ARG A 19 7.433 26.769 -8.964 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.736 23.934 -8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.387 25.007 -8.606 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.124 23.729 -10.628 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.159 25.465 -10.861 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.659 23.931 -10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.163 24.056 -11.741 1.00 0.00 H new ATOM 0 HE ARG A 19 8.191 26.701 -10.857 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.556 24.067 -11.096 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.935 25.169 -11.177 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.971 28.088 -10.895 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.605 27.438 -11.063 1.00 0.00 H new ATOM 308 N GLN A 20 6.319 26.069 -5.917 1.00 0.00 N ATOM 309 CA GLN A 20 5.545 26.606 -4.783 1.00 0.00 C ATOM 310 C GLN A 20 6.200 27.895 -4.244 1.00 0.00 C ATOM 311 O GLN A 20 5.495 28.781 -3.810 1.00 0.00 O ATOM 312 CB GLN A 20 5.354 25.542 -3.655 1.00 0.00 C ATOM 313 CG GLN A 20 6.569 25.324 -2.725 1.00 0.00 C ATOM 314 CD GLN A 20 6.415 24.183 -1.706 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.400 23.542 -1.331 1.00 0.00 O ATOM 316 NE2 GLN A 20 5.195 23.923 -1.234 1.00 0.00 N ATOM 0 H GLN A 20 6.743 25.158 -5.739 1.00 0.00 H new ATOM 0 HA GLN A 20 4.549 26.859 -5.147 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.501 25.837 -3.044 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.100 24.589 -4.119 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.446 25.125 -3.340 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.763 26.250 -2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.396 24.467 -1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.061 23.180 -0.548 1.00 0.00 H new ATOM 325 N ARG A 21 7.550 27.996 -4.335 1.00 0.00 N ATOM 326 CA ARG A 21 8.319 29.174 -3.848 1.00 0.00 C ATOM 327 C ARG A 21 8.054 30.431 -4.697 1.00 0.00 C ATOM 328 O ARG A 21 7.742 31.492 -4.144 1.00 0.00 O ATOM 329 CB ARG A 21 9.844 28.859 -3.785 1.00 0.00 C ATOM 330 CG ARG A 21 10.297 28.233 -2.451 1.00 0.00 C ATOM 331 CD ARG A 21 11.787 27.823 -2.436 1.00 0.00 C ATOM 332 NE ARG A 21 12.316 27.711 -1.064 1.00 0.00 N ATOM 333 CZ ARG A 21 11.916 26.835 -0.126 1.00 0.00 C ATOM 334 NH1 ARG A 21 11.034 25.871 -0.396 1.00 0.00 N ATOM 335 NH2 ARG A 21 12.429 26.928 1.091 1.00 0.00 N ATOM 0 H ARG A 21 8.135 27.268 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 21 7.970 29.387 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.099 28.180 -4.599 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.403 29.780 -3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.116 28.944 -1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.685 27.355 -2.245 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.905 26.869 -2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.371 28.558 -2.991 1.00 0.00 H new ATOM 0 HE ARG A 21 13.057 28.361 -0.801 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.645 25.784 -1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.749 25.221 0.336 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.114 27.654 1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.139 26.274 1.818 1.00 0.00 H new ATOM 349 N GLU A 22 8.184 30.306 -6.040 1.00 0.00 N ATOM 350 CA GLU A 22 7.926 31.433 -6.967 1.00 0.00 C ATOM 351 C GLU A 22 6.456 31.889 -6.838 1.00 0.00 C ATOM 352 O GLU A 22 6.153 33.083 -6.910 1.00 0.00 O ATOM 353 CB GLU A 22 8.273 31.065 -8.437 1.00 0.00 C ATOM 354 CG GLU A 22 7.425 29.930 -9.049 1.00 0.00 C ATOM 355 CD GLU A 22 7.564 29.813 -10.571 1.00 0.00 C ATOM 356 OE1 GLU A 22 7.135 30.747 -11.282 1.00 0.00 O ATOM 357 OE2 GLU A 22 8.078 28.789 -11.068 1.00 0.00 O ATOM 0 H GLU A 22 8.464 29.441 -6.503 1.00 0.00 H new ATOM 0 HA GLU A 22 8.579 32.260 -6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.158 31.956 -9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.323 30.778 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.715 28.984 -8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.377 30.096 -8.800 1.00 0.00 H new ATOM 364 N LEU A 23 5.568 30.904 -6.598 1.00 0.00 N ATOM 365 CA LEU A 23 4.154 31.156 -6.316 1.00 0.00 C ATOM 366 C LEU A 23 3.990 31.870 -4.973 1.00 0.00 C ATOM 367 O LEU A 23 3.272 32.848 -4.913 1.00 0.00 O ATOM 368 CB LEU A 23 3.337 29.837 -6.329 1.00 0.00 C ATOM 369 CG LEU A 23 3.193 29.129 -7.714 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.556 27.732 -7.562 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.401 29.994 -8.715 1.00 0.00 C ATOM 0 H LEU A 23 5.817 29.915 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 23 3.767 31.803 -7.104 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.803 29.139 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.338 30.049 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 23 4.197 28.998 -8.118 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.468 27.263 -8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.183 27.114 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.566 27.830 -7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.322 29.469 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.403 30.184 -8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.918 30.942 -8.866 1.00 0.00 H new ATOM 383 N TYR A 24 4.701 31.398 -3.928 1.00 0.00 N ATOM 384 CA TYR A 24 4.547 31.885 -2.536 1.00 0.00 C ATOM 385 C TYR A 24 4.866 33.380 -2.413 1.00 0.00 C ATOM 386 O TYR A 24 4.112 34.125 -1.795 1.00 0.00 O ATOM 387 CB TYR A 24 5.410 31.052 -1.527 1.00 0.00 C ATOM 388 CG TYR A 24 4.626 29.991 -0.738 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.631 30.373 0.164 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.873 28.620 -0.885 1.00 0.00 C ATOM 391 CE1 TYR A 24 2.920 29.434 0.877 1.00 0.00 C ATOM 392 CE2 TYR A 24 4.163 27.679 -0.175 1.00 0.00 C ATOM 393 CZ TYR A 24 3.189 28.089 0.703 1.00 0.00 C ATOM 394 OH TYR A 24 2.492 27.157 1.427 1.00 0.00 O ATOM 0 H TYR A 24 5.403 30.664 -4.024 1.00 0.00 H new ATOM 0 HA TYR A 24 3.498 31.745 -2.275 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.212 30.558 -2.076 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.881 31.736 -0.821 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.416 31.422 0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.639 28.294 -1.572 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.154 29.747 1.571 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.370 26.627 -0.307 1.00 0.00 H new ATOM 0 HH TYR A 24 2.800 26.258 1.186 1.00 0.00 H new ATOM 404 N ARG A 25 5.991 33.798 -3.001 1.00 0.00 N ATOM 405 CA ARG A 25 6.392 35.217 -3.033 1.00 0.00 C ATOM 406 C ARG A 25 5.402 36.036 -3.903 1.00 0.00 C ATOM 407 O ARG A 25 5.080 37.182 -3.573 1.00 0.00 O ATOM 408 CB ARG A 25 7.857 35.343 -3.540 1.00 0.00 C ATOM 409 CG ARG A 25 8.070 34.902 -5.009 1.00 0.00 C ATOM 410 CD ARG A 25 9.544 34.688 -5.378 1.00 0.00 C ATOM 411 NE ARG A 25 10.127 33.559 -4.625 1.00 0.00 N ATOM 412 CZ ARG A 25 11.198 32.844 -4.992 1.00 0.00 C ATOM 413 NH1 ARG A 25 11.816 33.073 -6.137 1.00 0.00 N ATOM 414 NH2 ARG A 25 11.641 31.877 -4.202 1.00 0.00 N ATOM 0 H ARG A 25 6.648 33.172 -3.466 1.00 0.00 H new ATOM 0 HA ARG A 25 6.355 35.629 -2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.176 36.380 -3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.503 34.745 -2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.522 33.976 -5.185 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.644 35.656 -5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.629 34.497 -6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.109 35.597 -5.170 1.00 0.00 H new ATOM 0 HE ARG A 25 9.674 33.301 -3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.479 33.806 -6.761 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.630 32.517 -6.397 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.167 31.681 -3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.456 31.328 -4.475 1.00 0.00 H new ATOM 428 N ARG A 26 4.894 35.401 -4.995 1.00 0.00 N ATOM 429 CA ARG A 26 3.917 36.014 -5.920 1.00 0.00 C ATOM 430 C ARG A 26 2.579 36.332 -5.221 1.00 0.00 C ATOM 431 O ARG A 26 2.024 37.407 -5.410 1.00 0.00 O ATOM 432 CB ARG A 26 3.692 35.059 -7.119 1.00 0.00 C ATOM 433 CG ARG A 26 2.645 35.505 -8.159 1.00 0.00 C ATOM 434 CD ARG A 26 2.586 34.545 -9.360 1.00 0.00 C ATOM 435 NE ARG A 26 3.927 34.353 -9.957 1.00 0.00 N ATOM 436 CZ ARG A 26 4.359 33.236 -10.561 1.00 0.00 C ATOM 437 NH1 ARG A 26 3.546 32.208 -10.755 1.00 0.00 N ATOM 438 NH2 ARG A 26 5.608 33.164 -10.988 1.00 0.00 N ATOM 0 H ARG A 26 5.155 34.449 -5.253 1.00 0.00 H new ATOM 0 HA ARG A 26 4.322 36.963 -6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.645 34.921 -7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.395 34.085 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.664 35.557 -7.687 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.885 36.509 -8.508 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.186 33.583 -9.041 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.903 34.940 -10.112 1.00 0.00 H new ATOM 0 HE ARG A 26 4.578 35.137 -9.905 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.576 32.259 -10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.890 31.366 -11.216 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.238 33.955 -10.857 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.942 32.317 -11.448 1.00 0.00 H new ATOM 452 N LEU A 27 2.083 35.392 -4.401 1.00 0.00 N ATOM 453 CA LEU A 27 0.777 35.528 -3.715 1.00 0.00 C ATOM 454 C LEU A 27 0.919 36.291 -2.391 1.00 0.00 C ATOM 455 O LEU A 27 -0.039 36.905 -1.925 1.00 0.00 O ATOM 456 CB LEU A 27 0.076 34.141 -3.559 1.00 0.00 C ATOM 457 CG LEU A 27 0.926 32.937 -3.040 1.00 0.00 C ATOM 458 CD1 LEU A 27 1.059 32.881 -1.512 1.00 0.00 C ATOM 459 CD2 LEU A 27 0.397 31.612 -3.602 1.00 0.00 C ATOM 0 H LEU A 27 2.568 34.519 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 27 0.120 36.132 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.768 34.269 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.334 33.864 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 27 1.937 33.101 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.663 32.018 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.540 33.792 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.069 32.793 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.005 30.789 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.638 31.471 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.447 31.633 -4.691 1.00 0.00 H new ATOM 471 N HIS A 28 2.148 36.323 -1.840 1.00 0.00 N ATOM 472 CA HIS A 28 2.487 37.172 -0.671 1.00 0.00 C ATOM 473 C HIS A 28 2.985 38.548 -1.166 1.00 0.00 C ATOM 474 O HIS A 28 3.690 39.231 -0.449 1.00 0.00 O ATOM 475 CB HIS A 28 3.551 36.509 0.264 1.00 0.00 C ATOM 476 CG HIS A 28 3.018 35.476 1.234 1.00 0.00 C ATOM 477 ND1 HIS A 28 2.469 35.814 2.455 1.00 0.00 N ATOM 478 CD2 HIS A 28 2.966 34.122 1.172 1.00 0.00 C ATOM 479 CE1 HIS A 28 2.125 34.721 3.102 1.00 0.00 C ATOM 480 NE2 HIS A 28 2.414 33.682 2.346 1.00 0.00 N ATOM 0 H HIS A 28 2.931 35.768 -2.186 1.00 0.00 H new ATOM 0 HA HIS A 28 1.583 37.295 -0.075 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.312 36.038 -0.358 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.047 37.295 0.834 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.298 33.505 0.350 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.681 34.682 4.086 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.253 32.706 2.595 1.00 0.00 H new ATOM 932 N LEU A 58 -3.825 36.307 -1.147 1.00 0.00 N ATOM 933 CA LEU A 58 -2.977 35.361 -1.878 1.00 0.00 C ATOM 934 C LEU A 58 -3.467 35.224 -3.332 1.00 0.00 C ATOM 935 O LEU A 58 -2.749 35.582 -4.269 1.00 0.00 O ATOM 936 CB LEU A 58 -2.902 33.967 -1.191 1.00 0.00 C ATOM 937 CG LEU A 58 -2.343 33.918 0.273 1.00 0.00 C ATOM 938 CD1 LEU A 58 -1.995 32.466 0.686 1.00 0.00 C ATOM 939 CD2 LEU A 58 -1.148 34.878 0.487 1.00 0.00 C ATOM 0 HA LEU A 58 -1.965 35.766 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.905 33.540 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.283 33.318 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.138 34.273 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.609 32.460 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.891 31.848 0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.239 32.067 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.801 34.803 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.338 34.606 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.463 35.902 0.284 1.00 0.00 H new ATOM 951 N GLY A 59 -4.694 34.712 -3.502 1.00 0.00 N ATOM 952 CA GLY A 59 -5.319 34.564 -4.830 1.00 0.00 C ATOM 953 C GLY A 59 -5.649 33.105 -5.138 1.00 0.00 C ATOM 954 O GLY A 59 -4.887 32.222 -4.750 1.00 0.00 O ATOM 0 H GLY A 59 -5.280 34.390 -2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.231 35.160 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.647 34.955 -5.594 1.00 0.00 H new ATOM 958 N GLN A 60 -6.761 32.863 -5.875 1.00 0.00 N ATOM 959 CA GLN A 60 -7.293 31.508 -6.154 1.00 0.00 C ATOM 960 C GLN A 60 -6.258 30.621 -6.865 1.00 0.00 C ATOM 961 O GLN A 60 -6.001 29.505 -6.426 1.00 0.00 O ATOM 962 CB GLN A 60 -8.584 31.594 -7.015 1.00 0.00 C ATOM 963 CG GLN A 60 -9.197 30.224 -7.395 1.00 0.00 C ATOM 964 CD GLN A 60 -10.423 30.316 -8.306 1.00 0.00 C ATOM 965 OE1 GLN A 60 -10.569 31.252 -9.093 1.00 0.00 O ATOM 966 NE2 GLN A 60 -11.305 29.335 -8.220 1.00 0.00 N ATOM 0 H GLN A 60 -7.317 33.608 -6.295 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.527 31.052 -5.192 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.330 32.173 -6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.359 32.143 -7.929 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.435 29.622 -7.890 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.475 29.697 -6.482 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.157 28.573 -7.558 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.133 29.340 -8.815 1.00 0.00 H new ATOM 975 N VAL A 61 -5.676 31.152 -7.959 1.00 0.00 N ATOM 976 CA VAL A 61 -4.655 30.450 -8.769 1.00 0.00 C ATOM 977 C VAL A 61 -3.466 29.983 -7.897 1.00 0.00 C ATOM 978 O VAL A 61 -2.967 28.863 -8.056 1.00 0.00 O ATOM 979 CB VAL A 61 -4.165 31.371 -9.960 1.00 0.00 C ATOM 980 CG1 VAL A 61 -3.568 32.710 -9.457 1.00 0.00 C ATOM 981 CG2 VAL A 61 -3.172 30.628 -10.891 1.00 0.00 C ATOM 0 H VAL A 61 -5.901 32.084 -8.309 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.115 29.558 -9.194 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.050 31.614 -10.549 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.246 33.308 -10.310 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.325 33.258 -8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.713 32.508 -8.812 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.860 31.294 -11.695 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.299 30.317 -10.317 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.659 29.750 -11.316 1.00 0.00 H new ATOM 991 N GLY A 62 -3.085 30.842 -6.933 1.00 0.00 N ATOM 992 CA GLY A 62 -1.990 30.564 -6.021 1.00 0.00 C ATOM 993 C GLY A 62 -2.330 29.477 -5.001 1.00 0.00 C ATOM 994 O GLY A 62 -1.615 28.490 -4.900 1.00 0.00 O ATOM 0 H GLY A 62 -3.535 31.744 -6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.115 30.257 -6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.721 31.479 -5.494 1.00 0.00 H new ATOM 998 N GLN A 63 -3.454 29.660 -4.278 1.00 0.00 N ATOM 999 CA GLN A 63 -3.891 28.769 -3.170 1.00 0.00 C ATOM 1000 C GLN A 63 -4.242 27.359 -3.683 1.00 0.00 C ATOM 1001 O GLN A 63 -3.959 26.362 -3.020 1.00 0.00 O ATOM 1002 CB GLN A 63 -5.127 29.383 -2.460 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.890 30.780 -1.852 1.00 0.00 C ATOM 1004 CD GLN A 63 -6.154 31.416 -1.263 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -7.270 31.175 -1.729 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -5.991 32.231 -0.235 1.00 0.00 N ATOM 0 H GLN A 63 -4.094 30.437 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.063 28.679 -2.467 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.946 29.447 -3.176 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.448 28.706 -1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.134 30.703 -1.070 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.487 31.438 -2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.056 32.412 0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.801 32.679 0.194 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.867 27.312 -4.871 1.00 0.00 N ATOM 1016 CA ASP A 64 -5.294 26.057 -5.530 1.00 0.00 C ATOM 1017 C ASP A 64 -4.070 25.259 -5.996 1.00 0.00 C ATOM 1018 O ASP A 64 -4.021 24.033 -5.836 1.00 0.00 O ATOM 1019 CB ASP A 64 -6.212 26.374 -6.740 1.00 0.00 C ATOM 1020 CG ASP A 64 -6.666 25.131 -7.532 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -7.665 24.493 -7.143 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -6.031 24.791 -8.551 1.00 0.00 O ATOM 0 H ASP A 64 -5.094 28.148 -5.409 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.852 25.458 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.094 26.906 -6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.685 27.048 -7.415 1.00 0.00 H new ATOM 1027 N GLU A 65 -3.092 25.970 -6.587 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.859 25.342 -7.078 1.00 0.00 C ATOM 1029 C GLU A 65 -0.980 24.881 -5.900 1.00 0.00 C ATOM 1030 O GLU A 65 -0.331 23.844 -5.973 1.00 0.00 O ATOM 1031 CB GLU A 65 -1.076 26.310 -8.002 1.00 0.00 C ATOM 1032 CG GLU A 65 -0.058 25.617 -8.934 1.00 0.00 C ATOM 1033 CD GLU A 65 -0.716 24.841 -10.096 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -1.450 23.845 -9.852 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -0.521 25.235 -11.264 1.00 0.00 O ATOM 0 H GLU A 65 -3.135 26.978 -6.734 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.134 24.465 -7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.788 26.867 -8.611 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.549 27.036 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.616 26.368 -9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.551 24.929 -8.347 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.999 25.675 -4.816 1.00 0.00 N ATOM 1043 CA LEU A 66 -0.305 25.367 -3.548 1.00 0.00 C ATOM 1044 C LEU A 66 -0.875 24.096 -2.911 1.00 0.00 C ATOM 1045 O LEU A 66 -0.127 23.305 -2.344 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.426 26.573 -2.556 1.00 0.00 C ATOM 1047 CG LEU A 66 0.820 27.505 -2.422 1.00 0.00 C ATOM 1048 CD1 LEU A 66 1.385 27.935 -3.795 1.00 0.00 C ATOM 1049 CD2 LEU A 66 0.466 28.731 -1.549 1.00 0.00 C ATOM 0 H LEU A 66 -1.503 26.562 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 66 0.749 25.197 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.274 27.183 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.662 26.177 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 66 1.611 26.937 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.250 28.582 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.685 27.051 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.619 28.476 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.339 29.378 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.350 29.285 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.159 28.396 -0.558 1.00 0.00 H new ATOM 1061 N ARG A 67 -2.206 23.948 -2.990 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.931 22.750 -2.523 1.00 0.00 C ATOM 1063 C ARG A 67 -2.438 21.507 -3.282 1.00 0.00 C ATOM 1064 O ARG A 67 -2.158 20.470 -2.685 1.00 0.00 O ATOM 1065 CB ARG A 67 -4.454 22.949 -2.758 1.00 0.00 C ATOM 1066 CG ARG A 67 -5.343 21.740 -2.390 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.791 21.910 -2.876 1.00 0.00 C ATOM 1068 NE ARG A 67 -7.636 20.762 -2.500 1.00 0.00 N ATOM 1069 CZ ARG A 67 -8.706 20.329 -3.187 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -9.048 20.884 -4.348 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -9.420 19.319 -2.721 1.00 0.00 N ATOM 0 H ARG A 67 -2.818 24.663 -3.384 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.745 22.605 -1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.784 23.811 -2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.614 23.190 -3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.920 20.835 -2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.339 21.605 -1.308 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.211 22.823 -2.454 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.799 22.027 -3.960 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.388 20.256 -1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.494 21.651 -4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.864 20.542 -4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.158 18.871 -1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.233 18.987 -3.240 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.323 21.669 -4.609 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.906 20.611 -5.542 1.00 0.00 C ATOM 1087 C ALA A 68 -0.449 20.163 -5.292 1.00 0.00 C ATOM 1088 O ALA A 68 -0.156 18.959 -5.260 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.086 21.123 -6.980 1.00 0.00 C ATOM 0 H ALA A 68 -2.521 22.556 -5.072 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.531 19.733 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.780 20.348 -7.683 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.133 21.373 -7.149 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.472 22.011 -7.130 1.00 0.00 H new ATOM 1095 N ILE A 69 0.448 21.154 -5.101 1.00 0.00 N ATOM 1096 CA ILE A 69 1.887 20.920 -4.878 1.00 0.00 C ATOM 1097 C ILE A 69 2.132 20.304 -3.489 1.00 0.00 C ATOM 1098 O ILE A 69 2.898 19.351 -3.360 1.00 0.00 O ATOM 1099 CB ILE A 69 2.706 22.265 -5.030 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.610 22.803 -6.499 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.184 22.091 -4.600 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.276 24.146 -6.747 1.00 0.00 C ATOM 0 H ILE A 69 0.191 22.141 -5.098 1.00 0.00 H new ATOM 0 HA ILE A 69 2.232 20.216 -5.635 1.00 0.00 H new ATOM 0 HB ILE A 69 2.260 23.001 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.056 22.067 -7.167 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.557 22.883 -6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.712 23.037 -4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.225 21.782 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.657 21.331 -5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.152 24.426 -7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.816 24.903 -6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.338 24.074 -6.515 1.00 0.00 H new ATOM 1114 N ASP A 70 1.457 20.859 -2.468 1.00 0.00 N ATOM 1115 CA ASP A 70 1.641 20.456 -1.056 1.00 0.00 C ATOM 1116 C ASP A 70 1.114 19.032 -0.821 1.00 0.00 C ATOM 1117 O ASP A 70 1.704 18.266 -0.052 1.00 0.00 O ATOM 1118 CB ASP A 70 0.918 21.454 -0.119 1.00 0.00 C ATOM 1119 CG ASP A 70 1.229 21.236 1.373 1.00 0.00 C ATOM 1120 OD1 ASP A 70 2.242 21.785 1.857 1.00 0.00 O ATOM 1121 OD2 ASP A 70 0.481 20.505 2.061 1.00 0.00 O ATOM 0 H ASP A 70 0.768 21.600 -2.594 1.00 0.00 H new ATOM 0 HA ASP A 70 2.708 20.467 -0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.201 22.469 -0.396 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.158 21.370 -0.273 1.00 0.00 H new ATOM 1126 N ALA A 71 -0.006 18.703 -1.493 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.614 17.362 -1.444 1.00 0.00 C ATOM 1128 C ALA A 71 0.329 16.329 -2.072 1.00 0.00 C ATOM 1129 O ALA A 71 0.525 15.245 -1.521 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.971 17.363 -2.161 1.00 0.00 C ATOM 0 H ALA A 71 -0.514 19.361 -2.085 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.779 17.090 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.407 16.365 -2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.639 18.073 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.832 17.651 -3.203 1.00 0.00 H new ATOM 1136 N ALA A 72 0.929 16.709 -3.217 1.00 0.00 N ATOM 1137 CA ALA A 72 1.905 15.875 -3.940 1.00 0.00 C ATOM 1138 C ALA A 72 3.157 15.606 -3.070 1.00 0.00 C ATOM 1139 O ALA A 72 3.598 14.460 -2.963 1.00 0.00 O ATOM 1140 CB ALA A 72 2.281 16.546 -5.271 1.00 0.00 C ATOM 0 H ALA A 72 0.749 17.607 -3.667 1.00 0.00 H new ATOM 0 HA ALA A 72 1.449 14.909 -4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.003 15.924 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.387 16.666 -5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.720 17.524 -5.074 1.00 0.00 H new ATOM 1146 N LEU A 73 3.674 16.674 -2.422 1.00 0.00 N ATOM 1147 CA LEU A 73 4.831 16.608 -1.488 1.00 0.00 C ATOM 1148 C LEU A 73 4.513 15.740 -0.249 1.00 0.00 C ATOM 1149 O LEU A 73 5.390 15.042 0.272 1.00 0.00 O ATOM 1150 CB LEU A 73 5.242 18.043 -1.041 1.00 0.00 C ATOM 1151 CG LEU A 73 5.914 18.941 -2.136 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.087 20.394 -1.641 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.271 18.350 -2.601 1.00 0.00 C ATOM 0 H LEU A 73 3.300 17.617 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 73 5.661 16.142 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.353 18.556 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.929 17.956 -0.199 1.00 0.00 H new ATOM 0 HG LEU A 73 5.246 18.957 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.556 20.991 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.111 20.815 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.717 20.403 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.709 18.998 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.948 18.279 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.111 17.357 -3.020 1.00 0.00 H new ATOM 1165 N ALA A 74 3.243 15.798 0.199 1.00 0.00 N ATOM 1166 CA ALA A 74 2.743 15.000 1.342 1.00 0.00 C ATOM 1167 C ALA A 74 2.745 13.502 1.001 1.00 0.00 C ATOM 1168 O ALA A 74 3.036 12.657 1.857 1.00 0.00 O ATOM 1169 CB ALA A 74 1.330 15.464 1.747 1.00 0.00 C ATOM 0 H ALA A 74 2.533 16.399 -0.220 1.00 0.00 H new ATOM 0 HA ALA A 74 3.412 15.157 2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.978 14.867 2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.361 16.515 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.650 15.339 0.904 1.00 0.00 H new ATOM 1175 N ARG A 75 2.436 13.199 -0.276 1.00 0.00 N ATOM 1176 CA ARG A 75 2.461 11.824 -0.802 1.00 0.00 C ATOM 1177 C ARG A 75 3.903 11.327 -0.973 1.00 0.00 C ATOM 1178 O ARG A 75 4.151 10.132 -0.896 1.00 0.00 O ATOM 1179 CB ARG A 75 1.701 11.711 -2.152 1.00 0.00 C ATOM 1180 CG ARG A 75 0.226 12.151 -2.101 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.612 11.671 -3.305 1.00 0.00 C ATOM 1182 NE ARG A 75 -0.852 10.211 -3.250 1.00 0.00 N ATOM 1183 CZ ARG A 75 -1.765 9.598 -2.466 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -2.521 10.286 -1.618 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -1.885 8.283 -2.506 1.00 0.00 N ATOM 0 H ARG A 75 2.164 13.898 -0.967 1.00 0.00 H new ATOM 0 HA ARG A 75 1.953 11.194 -0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.220 12.314 -2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.745 10.677 -2.493 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.224 11.772 -1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.183 13.239 -2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.566 12.198 -3.319 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.096 11.922 -4.232 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.281 9.620 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.418 11.298 -1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.204 9.802 -1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.290 7.735 -3.127 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.573 7.815 -1.916 1.00 0.00 H new ATOM 1199 N ILE A 76 4.848 12.255 -1.230 1.00 0.00 N ATOM 1200 CA ILE A 76 6.286 11.920 -1.336 1.00 0.00 C ATOM 1201 C ILE A 76 6.827 11.470 0.035 1.00 0.00 C ATOM 1202 O ILE A 76 7.532 10.461 0.131 1.00 0.00 O ATOM 1203 CB ILE A 76 7.132 13.132 -1.894 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.631 13.508 -3.327 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.650 12.804 -1.895 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.256 14.730 -3.961 1.00 0.00 C ATOM 0 H ILE A 76 4.642 13.244 -1.368 1.00 0.00 H new ATOM 0 HA ILE A 76 6.385 11.100 -2.047 1.00 0.00 H new ATOM 0 HB ILE A 76 6.990 13.991 -1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.805 12.656 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.553 13.661 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.206 13.657 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.977 12.591 -0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.834 11.933 -2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.827 14.886 -4.951 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.060 15.603 -3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.332 14.583 -4.051 1.00 0.00 H new ATOM 1218 N ALA A 77 6.443 12.214 1.085 1.00 0.00 N ATOM 1219 CA ALA A 77 6.811 11.905 2.482 1.00 0.00 C ATOM 1220 C ALA A 77 6.180 10.572 2.942 1.00 0.00 C ATOM 1221 O ALA A 77 6.785 9.815 3.704 1.00 0.00 O ATOM 1222 CB ALA A 77 6.380 13.061 3.398 1.00 0.00 C ATOM 0 H ALA A 77 5.867 13.050 0.992 1.00 0.00 H new ATOM 0 HA ALA A 77 7.893 11.791 2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.653 12.830 4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.881 13.978 3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.301 13.196 3.330 1.00 0.00 H new ATOM 1228 N SER A 78 4.957 10.305 2.452 1.00 0.00 N ATOM 1229 CA SER A 78 4.220 9.063 2.734 1.00 0.00 C ATOM 1230 C SER A 78 4.724 7.894 1.849 1.00 0.00 C ATOM 1231 O SER A 78 4.510 6.727 2.181 1.00 0.00 O ATOM 1232 CB SER A 78 2.714 9.313 2.510 1.00 0.00 C ATOM 1233 OG SER A 78 1.927 8.186 2.856 1.00 0.00 O ATOM 0 H SER A 78 4.450 10.950 1.846 1.00 0.00 H new ATOM 0 HA SER A 78 4.392 8.775 3.771 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.398 10.171 3.103 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.541 9.567 1.464 1.00 0.00 H new ATOM 0 HG SER A 78 0.981 8.388 2.700 1.00 0.00 H new ATOM 1239 N GLY A 79 5.401 8.231 0.730 1.00 0.00 N ATOM 1240 CA GLY A 79 5.915 7.238 -0.226 1.00 0.00 C ATOM 1241 C GLY A 79 4.853 6.715 -1.197 1.00 0.00 C ATOM 1242 O GLY A 79 5.083 5.728 -1.898 1.00 0.00 O ATOM 0 H GLY A 79 5.604 9.196 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.730 7.684 -0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.335 6.398 0.327 1.00 0.00 H new ATOM 1246 N THR A 80 3.691 7.387 -1.229 1.00 0.00 N ATOM 1247 CA THR A 80 2.555 7.041 -2.104 1.00 0.00 C ATOM 1248 C THR A 80 2.366 8.115 -3.214 1.00 0.00 C ATOM 1249 O THR A 80 1.279 8.251 -3.792 1.00 0.00 O ATOM 1250 CB THR A 80 1.253 6.856 -1.240 1.00 0.00 C ATOM 1251 OG1 THR A 80 0.154 6.425 -2.060 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.863 8.142 -0.482 1.00 0.00 C ATOM 0 H THR A 80 3.510 8.199 -0.639 1.00 0.00 H new ATOM 0 HA THR A 80 2.764 6.096 -2.606 1.00 0.00 H new ATOM 0 HB THR A 80 1.477 6.088 -0.499 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.597 6.162 -1.488 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.042 7.962 0.099 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.673 8.429 0.188 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.681 8.945 -1.197 1.00 0.00 H new ATOM 1260 N PHE A 81 3.445 8.885 -3.503 1.00 0.00 N ATOM 1261 CA PHE A 81 3.484 9.826 -4.643 1.00 0.00 C ATOM 1262 C PHE A 81 3.282 9.099 -5.985 1.00 0.00 C ATOM 1263 O PHE A 81 3.766 7.974 -6.167 1.00 0.00 O ATOM 1264 CB PHE A 81 4.818 10.614 -4.664 1.00 0.00 C ATOM 1265 CG PHE A 81 4.910 11.630 -5.812 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.106 12.774 -5.812 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.770 11.431 -6.893 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.163 13.681 -6.852 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.824 12.341 -7.926 1.00 0.00 C ATOM 1270 CZ PHE A 81 5.022 13.466 -7.909 1.00 0.00 C ATOM 0 H PHE A 81 4.305 8.869 -2.955 1.00 0.00 H new ATOM 0 HA PHE A 81 2.661 10.528 -4.509 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.937 11.138 -3.715 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.646 9.910 -4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.431 12.951 -4.987 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.400 10.554 -6.920 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.534 14.559 -6.837 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.497 12.174 -8.754 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.068 14.176 -8.722 1.00 0.00 H new ATOM 1280 N GLY A 82 2.601 9.788 -6.923 1.00 0.00 N ATOM 1281 CA GLY A 82 2.255 9.230 -8.222 1.00 0.00 C ATOM 1282 C GLY A 82 1.107 8.237 -8.126 1.00 0.00 C ATOM 1283 O GLY A 82 1.088 7.209 -8.818 1.00 0.00 O ATOM 0 H GLY A 82 2.281 10.747 -6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.981 10.037 -8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.128 8.736 -8.649 1.00 0.00 H new ATOM 1287 N THR A 83 0.142 8.578 -7.259 1.00 0.00 N ATOM 1288 CA THR A 83 -1.098 7.820 -7.073 1.00 0.00 C ATOM 1289 C THR A 83 -2.300 8.776 -7.205 1.00 0.00 C ATOM 1290 O THR A 83 -2.415 9.748 -6.439 1.00 0.00 O ATOM 1291 CB THR A 83 -1.134 7.120 -5.670 1.00 0.00 C ATOM 1292 OG1 THR A 83 0.040 6.320 -5.505 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.378 6.225 -5.481 1.00 0.00 C ATOM 0 H THR A 83 0.205 9.401 -6.660 1.00 0.00 H new ATOM 0 HA THR A 83 -1.147 7.045 -7.838 1.00 0.00 H new ATOM 0 HB THR A 83 -1.178 7.910 -4.921 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.667 6.779 -4.908 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.350 5.767 -4.493 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.279 6.831 -5.574 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.384 5.445 -6.243 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.156 8.515 -8.217 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.461 9.166 -8.356 1.00 0.00 C ATOM 1303 C CYS A 84 -5.323 8.828 -7.140 1.00 0.00 C ATOM 1304 O CYS A 84 -5.822 7.709 -7.044 1.00 0.00 O ATOM 1305 CB CYS A 84 -5.192 8.721 -9.649 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.802 9.559 -9.875 1.00 0.00 S ATOM 0 H CYS A 84 -2.953 7.844 -8.958 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.298 10.242 -8.420 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.556 8.927 -10.510 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.349 7.643 -9.620 1.00 0.00 H new ATOM 0 HG CYS A 84 -7.714 8.677 -10.159 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.440 9.794 -6.211 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.225 9.662 -4.967 1.00 0.00 C ATOM 1313 C VAL A 85 -7.704 9.303 -5.262 1.00 0.00 C ATOM 1314 O VAL A 85 -8.299 8.467 -4.579 1.00 0.00 O ATOM 1315 CB VAL A 85 -6.137 10.980 -4.089 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.670 11.321 -3.747 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -6.829 12.188 -4.771 1.00 0.00 C ATOM 0 H VAL A 85 -4.986 10.702 -6.303 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.788 8.842 -4.397 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.674 10.777 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.638 12.229 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.226 10.498 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.108 11.477 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.742 13.066 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.350 12.388 -5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.883 11.960 -4.933 1.00 0.00 H new ATOM 1327 N LYS A 86 -8.245 9.909 -6.339 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.650 9.743 -6.763 1.00 0.00 C ATOM 1329 C LYS A 86 -9.915 8.310 -7.290 1.00 0.00 C ATOM 1330 O LYS A 86 -11.053 7.847 -7.294 1.00 0.00 O ATOM 1331 CB LYS A 86 -9.982 10.831 -7.832 1.00 0.00 C ATOM 1332 CG LYS A 86 -11.460 10.882 -8.302 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.755 12.074 -9.265 1.00 0.00 C ATOM 1334 CE LYS A 86 -11.830 13.439 -8.552 1.00 0.00 C ATOM 1335 NZ LYS A 86 -13.001 13.530 -7.641 1.00 0.00 N ATOM 0 H LYS A 86 -7.713 10.534 -6.945 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.310 9.877 -5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.715 11.807 -7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.348 10.664 -8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.708 9.947 -8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.110 10.957 -7.430 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.978 12.114 -10.028 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.698 11.890 -9.779 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.915 13.601 -7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.887 14.234 -9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.101 14.508 -7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.862 13.252 -8.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.860 12.894 -6.830 1.00 0.00 H new ATOM 1349 N CYS A 87 -8.842 7.609 -7.711 1.00 0.00 N ATOM 1350 CA CYS A 87 -8.922 6.215 -8.208 1.00 0.00 C ATOM 1351 C CYS A 87 -8.385 5.204 -7.177 1.00 0.00 C ATOM 1352 O CYS A 87 -8.844 4.064 -7.138 1.00 0.00 O ATOM 1353 CB CYS A 87 -8.118 6.058 -9.519 1.00 0.00 C ATOM 1354 SG CYS A 87 -8.889 6.784 -10.989 1.00 0.00 S ATOM 0 H CYS A 87 -7.896 7.990 -7.717 1.00 0.00 H new ATOM 0 HA CYS A 87 -9.977 6.006 -8.387 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.137 6.512 -9.381 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.955 4.996 -9.701 1.00 0.00 H new ATOM 0 HG CYS A 87 -7.999 7.453 -11.660 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.425 5.642 -6.349 1.00 0.00 N ATOM 1360 CA GLY A 88 -6.551 4.721 -5.618 1.00 0.00 C ATOM 1361 C GLY A 88 -5.634 3.937 -6.568 1.00 0.00 C ATOM 1362 O GLY A 88 -5.286 2.794 -6.295 1.00 0.00 O ATOM 0 H GLY A 88 -7.237 6.628 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.945 5.282 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.158 4.024 -5.040 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.245 4.578 -7.694 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.460 3.938 -8.788 1.00 0.00 C ATOM 1368 C LYS A 89 -3.259 4.801 -9.178 1.00 0.00 C ATOM 1369 O LYS A 89 -3.055 5.860 -8.617 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.352 3.690 -10.037 1.00 0.00 C ATOM 1371 CG LYS A 89 -6.352 2.534 -9.898 1.00 0.00 C ATOM 1372 CD LYS A 89 -7.241 2.382 -11.152 1.00 0.00 C ATOM 1373 CE LYS A 89 -8.042 1.081 -11.129 1.00 0.00 C ATOM 1374 NZ LYS A 89 -8.964 0.977 -12.288 1.00 0.00 N ATOM 0 H LYS A 89 -5.465 5.557 -7.875 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.098 2.980 -8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.904 4.604 -10.259 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.707 3.492 -10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.810 1.605 -9.724 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.983 2.703 -9.025 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.925 3.228 -11.217 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.616 2.408 -12.045 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.357 0.233 -11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.615 1.024 -10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.488 0.081 -12.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.634 1.772 -12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.416 1.006 -13.171 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.502 4.328 -10.181 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.242 4.964 -10.635 1.00 0.00 C ATOM 1390 C ARG A 90 -1.470 6.290 -11.397 1.00 0.00 C ATOM 1391 O ARG A 90 -2.578 6.583 -11.879 1.00 0.00 O ATOM 1392 CB ARG A 90 -0.465 3.967 -11.546 1.00 0.00 C ATOM 1393 CG ARG A 90 0.033 2.700 -10.821 1.00 0.00 C ATOM 1394 CD ARG A 90 1.225 2.969 -9.891 1.00 0.00 C ATOM 1395 NE ARG A 90 2.429 3.357 -10.642 1.00 0.00 N ATOM 1396 CZ ARG A 90 3.604 3.681 -10.091 1.00 0.00 C ATOM 1397 NH1 ARG A 90 3.753 3.739 -8.768 1.00 0.00 N ATOM 1398 NH2 ARG A 90 4.640 3.950 -10.868 1.00 0.00 N ATOM 0 H ARG A 90 -2.744 3.488 -10.707 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.665 5.208 -9.743 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.111 3.669 -12.372 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.391 4.482 -11.981 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.786 2.276 -10.240 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.319 1.953 -11.562 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.965 3.760 -9.187 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.436 2.076 -9.303 1.00 0.00 H new ATOM 0 HE ARG A 90 2.363 3.381 -11.660 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.963 3.534 -8.156 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.657 3.988 -8.367 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.541 3.910 -11.882 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.538 4.198 -10.453 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.395 7.094 -11.451 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.253 8.228 -12.392 1.00 0.00 C ATOM 1414 C ILE A 91 0.771 7.829 -13.477 1.00 0.00 C ATOM 1415 O ILE A 91 1.730 7.092 -13.193 1.00 0.00 O ATOM 1416 CB ILE A 91 0.238 9.551 -11.670 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.700 9.945 -10.493 1.00 0.00 C ATOM 1418 CG2 ILE A 91 0.346 10.737 -12.660 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.103 10.315 -10.892 1.00 0.00 C ATOM 0 H ILE A 91 0.411 6.977 -10.837 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.231 8.440 -12.825 1.00 0.00 H new ATOM 0 HB ILE A 91 1.229 9.334 -11.272 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.746 9.112 -9.791 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.256 10.786 -9.961 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.685 11.626 -12.128 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.059 10.491 -13.447 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.631 10.931 -13.104 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.678 10.574 -10.003 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.076 11.170 -11.568 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.573 9.470 -11.395 1.00 0.00 H new ATOM 1431 N SER A 92 0.562 8.331 -14.704 1.00 0.00 N ATOM 1432 CA SER A 92 1.453 8.072 -15.850 1.00 0.00 C ATOM 1433 C SER A 92 2.763 8.876 -15.701 1.00 0.00 C ATOM 1434 O SER A 92 2.751 9.956 -15.112 1.00 0.00 O ATOM 1435 CB SER A 92 0.726 8.465 -17.159 1.00 0.00 C ATOM 1436 OG SER A 92 -0.567 7.891 -17.209 1.00 0.00 O ATOM 0 H SER A 92 -0.232 8.930 -14.932 1.00 0.00 H new ATOM 0 HA SER A 92 1.705 7.012 -15.881 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.650 9.550 -17.226 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.309 8.133 -18.018 1.00 0.00 H new ATOM 0 HG SER A 92 -1.009 8.153 -18.043 1.00 0.00 H new ATOM 1442 N GLU A 93 3.877 8.337 -16.241 1.00 0.00 N ATOM 1443 CA GLU A 93 5.190 9.028 -16.269 1.00 0.00 C ATOM 1444 C GLU A 93 5.072 10.362 -17.020 1.00 0.00 C ATOM 1445 O GLU A 93 5.568 11.389 -16.561 1.00 0.00 O ATOM 1446 CB GLU A 93 6.258 8.143 -16.966 1.00 0.00 C ATOM 1447 CG GLU A 93 7.669 8.777 -17.054 1.00 0.00 C ATOM 1448 CD GLU A 93 8.615 8.015 -17.998 1.00 0.00 C ATOM 1449 OE1 GLU A 93 8.539 8.244 -19.227 1.00 0.00 O ATOM 1450 OE2 GLU A 93 9.415 7.168 -17.534 1.00 0.00 O ATOM 0 H GLU A 93 3.895 7.412 -16.670 1.00 0.00 H new ATOM 0 HA GLU A 93 5.496 9.215 -15.240 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.333 7.197 -16.429 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.916 7.911 -17.974 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.577 9.808 -17.396 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.109 8.810 -16.057 1.00 0.00 H new ATOM 1457 N ASP A 94 4.387 10.310 -18.181 1.00 0.00 N ATOM 1458 CA ASP A 94 4.160 11.481 -19.052 1.00 0.00 C ATOM 1459 C ASP A 94 3.280 12.526 -18.366 1.00 0.00 C ATOM 1460 O ASP A 94 3.448 13.737 -18.583 1.00 0.00 O ATOM 1461 CB ASP A 94 3.563 11.049 -20.416 1.00 0.00 C ATOM 1462 CG ASP A 94 4.521 10.139 -21.202 1.00 0.00 C ATOM 1463 OD1 ASP A 94 5.558 10.637 -21.688 1.00 0.00 O ATOM 1464 OD2 ASP A 94 4.269 8.925 -21.310 1.00 0.00 O ATOM 0 H ASP A 94 3.974 9.450 -18.542 1.00 0.00 H new ATOM 0 HA ASP A 94 5.127 11.946 -19.242 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.621 10.526 -20.250 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.336 11.935 -21.009 1.00 0.00 H new ATOM 1469 N ARG A 95 2.360 12.048 -17.513 1.00 0.00 N ATOM 1470 CA ARG A 95 1.508 12.920 -16.701 1.00 0.00 C ATOM 1471 C ARG A 95 2.344 13.601 -15.600 1.00 0.00 C ATOM 1472 O ARG A 95 2.166 14.778 -15.352 1.00 0.00 O ATOM 1473 CB ARG A 95 0.330 12.130 -16.069 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.687 12.997 -15.269 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.789 13.625 -16.135 1.00 0.00 C ATOM 1476 NE ARG A 95 -1.289 14.537 -17.187 1.00 0.00 N ATOM 1477 CZ ARG A 95 -2.067 15.323 -17.949 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -3.375 15.425 -17.714 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -1.533 16.035 -18.928 1.00 0.00 N ATOM 0 H ARG A 95 2.189 11.053 -17.370 1.00 0.00 H new ATOM 0 HA ARG A 95 1.087 13.683 -17.355 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.205 11.608 -16.862 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.738 11.368 -15.404 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.151 12.378 -14.501 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.146 13.791 -14.755 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.365 12.828 -16.605 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.474 14.174 -15.489 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.282 14.571 -17.345 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.798 14.902 -16.947 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.953 16.026 -18.301 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.530 15.987 -19.105 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.125 16.632 -19.506 1.00 0.00 H new ATOM 1493 N LEU A 96 3.266 12.842 -14.982 1.00 0.00 N ATOM 1494 CA LEU A 96 4.121 13.336 -13.877 1.00 0.00 C ATOM 1495 C LEU A 96 5.171 14.351 -14.377 1.00 0.00 C ATOM 1496 O LEU A 96 5.456 15.337 -13.701 1.00 0.00 O ATOM 1497 CB LEU A 96 4.830 12.143 -13.176 1.00 0.00 C ATOM 1498 CG LEU A 96 3.927 11.218 -12.308 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.673 9.935 -11.875 1.00 0.00 C ATOM 1500 CD2 LEU A 96 3.361 11.982 -11.082 1.00 0.00 C ATOM 0 H LEU A 96 3.443 11.869 -15.231 1.00 0.00 H new ATOM 0 HA LEU A 96 3.476 13.847 -13.163 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.310 11.533 -13.941 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.622 12.541 -12.542 1.00 0.00 H new ATOM 0 HG LEU A 96 3.085 10.908 -12.927 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.010 9.315 -11.271 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.984 9.379 -12.759 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.551 10.205 -11.289 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.734 11.312 -10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.185 12.343 -10.466 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.766 12.829 -11.424 1.00 0.00 H new ATOM 1512 N LYS A 97 5.748 14.085 -15.561 1.00 0.00 N ATOM 1513 CA LYS A 97 6.823 14.926 -16.133 1.00 0.00 C ATOM 1514 C LYS A 97 6.250 16.274 -16.612 1.00 0.00 C ATOM 1515 O LYS A 97 6.942 17.293 -16.576 1.00 0.00 O ATOM 1516 CB LYS A 97 7.565 14.186 -17.289 1.00 0.00 C ATOM 1517 CG LYS A 97 6.785 14.078 -18.621 1.00 0.00 C ATOM 1518 CD LYS A 97 7.524 13.268 -19.719 1.00 0.00 C ATOM 1519 CE LYS A 97 7.829 11.821 -19.298 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.308 10.989 -20.430 1.00 0.00 N ATOM 0 H LYS A 97 5.489 13.291 -16.146 1.00 0.00 H new ATOM 0 HA LYS A 97 7.556 15.123 -15.350 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.507 14.700 -17.481 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.814 13.180 -16.952 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.819 13.612 -18.428 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.585 15.082 -18.996 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.917 13.256 -20.624 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.458 13.772 -19.968 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.583 11.826 -18.511 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.930 11.372 -18.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.580 10.049 -20.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.549 10.890 -21.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.132 11.445 -20.872 1.00 0.00 H new ATOM 1534 N ALA A 98 4.982 16.251 -17.068 1.00 0.00 N ATOM 1535 CA ALA A 98 4.247 17.465 -17.460 1.00 0.00 C ATOM 1536 C ALA A 98 3.758 18.224 -16.210 1.00 0.00 C ATOM 1537 O ALA A 98 4.120 19.377 -15.986 1.00 0.00 O ATOM 1538 CB ALA A 98 3.074 17.086 -18.382 1.00 0.00 C ATOM 0 H ALA A 98 4.442 15.392 -17.174 1.00 0.00 H new ATOM 0 HA ALA A 98 4.914 18.130 -18.009 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.532 17.987 -18.670 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.458 16.592 -19.275 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.400 16.410 -17.855 1.00 0.00 H new ATOM 1544 N VAL A 99 2.961 17.527 -15.386 1.00 0.00 N ATOM 1545 CA VAL A 99 2.349 18.061 -14.157 1.00 0.00 C ATOM 1546 C VAL A 99 2.596 17.076 -12.970 1.00 0.00 C ATOM 1547 O VAL A 99 1.887 16.077 -12.816 1.00 0.00 O ATOM 1548 CB VAL A 99 0.800 18.359 -14.377 1.00 0.00 C ATOM 1549 CG1 VAL A 99 0.044 17.169 -15.022 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.118 18.803 -13.062 1.00 0.00 C ATOM 0 H VAL A 99 2.717 16.552 -15.559 1.00 0.00 H new ATOM 0 HA VAL A 99 2.820 19.012 -13.906 1.00 0.00 H new ATOM 0 HB VAL A 99 0.746 19.185 -15.086 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.007 17.430 -15.147 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.481 16.945 -15.995 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.126 16.294 -14.378 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.938 18.998 -13.248 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.215 18.013 -12.317 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.595 19.711 -12.693 1.00 0.00 H new ATOM 1560 N PRO A 100 3.674 17.306 -12.143 1.00 0.00 N ATOM 1561 CA PRO A 100 3.967 16.464 -10.949 1.00 0.00 C ATOM 1562 C PRO A 100 3.104 16.834 -9.727 1.00 0.00 C ATOM 1563 O PRO A 100 3.066 16.096 -8.738 1.00 0.00 O ATOM 1564 CB PRO A 100 5.468 16.746 -10.692 1.00 0.00 C ATOM 1565 CG PRO A 100 5.681 18.152 -11.171 1.00 0.00 C ATOM 1566 CD PRO A 100 4.713 18.363 -12.327 1.00 0.00 C ATOM 0 HA PRO A 100 3.740 15.411 -11.117 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.714 16.647 -9.635 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.101 16.043 -11.234 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.492 18.868 -10.371 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.711 18.300 -11.495 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.274 19.360 -12.300 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.216 18.262 -13.289 1.00 0.00 H new ATOM 1574 N TYR A 101 2.410 17.978 -9.814 1.00 0.00 N ATOM 1575 CA TYR A 101 1.531 18.476 -8.740 1.00 0.00 C ATOM 1576 C TYR A 101 0.073 18.068 -8.987 1.00 0.00 C ATOM 1577 O TYR A 101 -0.844 18.816 -8.664 1.00 0.00 O ATOM 1578 CB TYR A 101 1.677 20.026 -8.582 1.00 0.00 C ATOM 1579 CG TYR A 101 1.740 20.858 -9.884 1.00 0.00 C ATOM 1580 CD1 TYR A 101 0.584 21.309 -10.520 1.00 0.00 C ATOM 1581 CD2 TYR A 101 2.969 21.217 -10.452 1.00 0.00 C ATOM 1582 CE1 TYR A 101 0.652 22.069 -11.673 1.00 0.00 C ATOM 1583 CE2 TYR A 101 3.036 21.973 -11.604 1.00 0.00 C ATOM 1584 CZ TYR A 101 1.873 22.401 -12.205 1.00 0.00 C ATOM 1585 OH TYR A 101 1.934 23.169 -13.345 1.00 0.00 O ATOM 0 H TYR A 101 2.441 18.587 -10.632 1.00 0.00 H new ATOM 0 HA TYR A 101 1.842 18.016 -7.802 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.837 20.387 -7.989 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.582 20.225 -8.008 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -0.381 21.060 -10.105 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.884 20.895 -9.978 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.256 22.401 -12.155 1.00 0.00 H new ATOM 0 HE2 TYR A 101 3.994 22.228 -12.032 1.00 0.00 H new ATOM 0 HH TYR A 101 2.871 23.316 -13.591 1.00 0.00 H new ATOM 1595 N THR A 102 -0.149 16.863 -9.533 1.00 0.00 N ATOM 1596 CA THR A 102 -1.507 16.349 -9.771 1.00 0.00 C ATOM 1597 C THR A 102 -1.853 15.230 -8.748 1.00 0.00 C ATOM 1598 O THR A 102 -1.126 14.232 -8.640 1.00 0.00 O ATOM 1599 CB THR A 102 -1.697 15.862 -11.250 1.00 0.00 C ATOM 1600 OG1 THR A 102 -3.076 15.533 -11.472 1.00 0.00 O ATOM 1601 CG2 THR A 102 -0.804 14.659 -11.636 1.00 0.00 C ATOM 0 H THR A 102 0.595 16.226 -9.818 1.00 0.00 H new ATOM 0 HA THR A 102 -2.207 17.171 -9.622 1.00 0.00 H new ATOM 0 HB THR A 102 -1.385 16.688 -11.889 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.157 14.575 -11.663 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.994 14.383 -12.673 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.245 14.932 -11.520 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.032 13.813 -10.987 1.00 0.00 H new ATOM 1609 N PRO A 103 -2.935 15.411 -7.917 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.491 14.316 -7.090 1.00 0.00 C ATOM 1611 C PRO A 103 -4.376 13.351 -7.919 1.00 0.00 C ATOM 1612 O PRO A 103 -4.781 12.301 -7.422 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.324 15.074 -6.020 1.00 0.00 C ATOM 1614 CG PRO A 103 -4.767 16.330 -6.710 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.647 16.705 -7.668 1.00 0.00 C ATOM 0 HA PRO A 103 -2.718 13.677 -6.663 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.177 14.482 -5.688 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.726 15.296 -5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.702 16.170 -7.247 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.946 17.128 -5.989 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.038 17.130 -8.593 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -2.981 17.450 -7.232 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.682 13.720 -9.183 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.605 12.951 -10.047 1.00 0.00 C ATOM 1625 C PHE A 104 -4.869 12.438 -11.299 1.00 0.00 C ATOM 1626 O PHE A 104 -3.823 12.958 -11.669 1.00 0.00 O ATOM 1627 CB PHE A 104 -6.823 13.828 -10.461 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.508 14.569 -9.303 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -7.905 13.893 -8.145 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -7.737 15.944 -9.369 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.510 14.570 -7.099 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.341 16.619 -8.322 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.728 15.932 -7.187 1.00 0.00 C ATOM 0 H PHE A 104 -4.299 14.553 -9.630 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.970 12.094 -9.481 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.492 14.561 -11.197 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.559 13.193 -10.953 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.738 12.829 -8.065 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.438 16.491 -10.251 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.812 14.032 -6.212 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.510 17.683 -8.392 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.200 16.458 -6.370 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.417 11.396 -11.942 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.878 10.876 -13.220 1.00 0.00 C ATOM 1645 C CYS A 105 -5.482 11.679 -14.377 1.00 0.00 C ATOM 1646 O CYS A 105 -6.432 12.428 -14.150 1.00 0.00 O ATOM 1647 CB CYS A 105 -5.191 9.367 -13.354 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.961 8.962 -13.493 1.00 0.00 S ATOM 0 H CYS A 105 -6.236 10.892 -11.601 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.794 10.989 -13.244 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.674 8.980 -14.232 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.781 8.847 -12.488 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.632 9.641 -12.610 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.955 11.504 -15.608 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.405 12.278 -16.802 1.00 0.00 C ATOM 1655 C GLN A 106 -6.914 12.065 -17.079 1.00 0.00 C ATOM 1656 O GLN A 106 -7.595 12.957 -17.593 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.556 11.883 -18.048 1.00 0.00 C ATOM 1658 CG GLN A 106 -4.890 12.670 -19.336 1.00 0.00 C ATOM 1659 CD GLN A 106 -3.987 12.331 -20.527 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -4.274 11.419 -21.301 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -2.891 13.068 -20.683 1.00 0.00 N ATOM 0 H GLN A 106 -4.214 10.832 -15.809 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.256 13.338 -16.594 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.502 12.029 -17.813 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.695 10.820 -18.242 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.926 12.473 -19.611 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.813 13.737 -19.127 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.682 13.817 -20.023 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.259 12.884 -21.463 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.408 10.885 -16.678 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.799 10.466 -16.864 1.00 0.00 C ATOM 1672 C GLU A 107 -9.723 11.294 -15.946 1.00 0.00 C ATOM 1673 O GLU A 107 -10.739 11.839 -16.388 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.962 8.934 -16.590 1.00 0.00 C ATOM 1675 CG GLU A 107 -7.951 7.996 -17.323 1.00 0.00 C ATOM 1676 CD GLU A 107 -6.583 7.842 -16.603 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -6.444 6.926 -15.761 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -5.653 8.640 -16.856 1.00 0.00 O ATOM 0 H GLU A 107 -6.838 10.183 -16.206 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.084 10.647 -17.900 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.871 8.765 -15.517 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.972 8.640 -16.875 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.403 7.010 -17.434 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.778 8.382 -18.328 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.314 11.408 -14.663 1.00 0.00 N ATOM 1686 CA CYS A 108 -10.011 12.242 -13.658 1.00 0.00 C ATOM 1687 C CYS A 108 -9.863 13.740 -13.982 1.00 0.00 C ATOM 1688 O CYS A 108 -10.788 14.508 -13.753 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.483 11.968 -12.236 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.901 10.331 -11.588 1.00 0.00 S ATOM 0 H CYS A 108 -8.494 10.926 -14.295 1.00 0.00 H new ATOM 0 HA CYS A 108 -11.067 11.973 -13.697 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.399 12.080 -12.236 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.881 12.725 -11.561 1.00 0.00 H new ATOM 0 HG CYS A 108 -8.952 9.921 -10.800 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.680 14.119 -14.507 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.355 15.501 -14.903 1.00 0.00 C ATOM 1697 C ALA A 109 -9.274 15.981 -16.032 1.00 0.00 C ATOM 1698 O ALA A 109 -9.676 17.147 -16.063 1.00 0.00 O ATOM 1699 CB ALA A 109 -6.880 15.600 -15.310 1.00 0.00 C ATOM 0 H ALA A 109 -7.915 13.464 -14.669 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.521 16.155 -14.047 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -6.651 16.625 -15.601 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.250 15.312 -14.468 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.689 14.933 -16.151 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.607 15.055 -16.942 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.572 15.293 -18.022 1.00 0.00 C ATOM 1707 C ALA A 110 -12.004 15.382 -17.459 1.00 0.00 C ATOM 1708 O ALA A 110 -12.835 16.142 -17.967 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.461 14.181 -19.078 1.00 0.00 C ATOM 0 H ALA A 110 -9.212 14.115 -16.949 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.342 16.246 -18.499 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.180 14.364 -19.876 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.453 14.172 -19.493 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.671 13.217 -18.615 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.265 14.599 -16.396 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.577 14.542 -15.725 1.00 0.00 C ATOM 1717 C ALA A 111 -13.803 15.720 -14.746 1.00 0.00 C ATOM 1718 O ALA A 111 -14.924 15.894 -14.268 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.724 13.193 -14.997 1.00 0.00 C ATOM 0 H ALA A 111 -11.568 13.985 -15.976 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.344 14.633 -16.494 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.694 13.151 -14.501 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.650 12.380 -15.719 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.932 13.092 -14.255 1.00 0.00 H new