USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=16 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 -55:sc= 1.58 USER MOD Set 1.2: A 87 CYS SG : rot -60:sc= -1.44! USER MOD Set 1.3: A 105 CYS SG : rot -37:sc= -1.29 USER MOD Set 1.4: A 108 CYS SG : rot 143:sc= 0.924 USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0.32 USER MOD Set 2.2: A 83 THR OG1 : rot 153:sc= 0.381 USER MOD Single : A 8 ASN : amide:sc= -0.448 X(o=-0.45,f=0) 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+ 149:sc= -0.88 (180deg=-2.41!) USER MOD Single : A 20 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.76) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.0231 X(o=-0.023,f=-0.4) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.0857 X(o=-0.086,f=-0.32) USER MOD Single : A 78 SER OG : rot -25:sc= 0.335 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -153:sc= 0.987 (180deg=0.542) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -177:sc= 0.364 (180deg=0.359) USER MOD Single : A 101 TYR OH : rot -128:sc= 0.128 USER MOD Single : A 102 THR OG1 : rot -95:sc= 1.88 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 11.487 9.368 -11.226 1.00 0.00 N ATOM 97 CA ASN A 8 11.948 10.781 -11.210 1.00 0.00 C ATOM 98 C ASN A 8 11.295 11.592 -10.067 1.00 0.00 C ATOM 99 O ASN A 8 11.228 12.823 -10.150 1.00 0.00 O ATOM 100 CB ASN A 8 11.745 11.474 -12.601 1.00 0.00 C ATOM 101 CG ASN A 8 12.538 10.835 -13.755 1.00 0.00 C ATOM 102 OD1 ASN A 8 12.067 10.793 -14.892 1.00 0.00 O ATOM 103 ND2 ASN A 8 13.761 10.382 -13.494 1.00 0.00 N ATOM 0 HA ASN A 8 13.020 10.761 -11.012 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.684 11.454 -12.851 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.033 12.522 -12.516 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.330 9.989 -14.244 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.130 10.427 -12.544 1.00 0.00 H new ATOM 110 N VAL A 9 10.874 10.886 -8.978 1.00 0.00 N ATOM 111 CA VAL A 9 10.245 11.491 -7.771 1.00 0.00 C ATOM 112 C VAL A 9 11.067 12.669 -7.229 1.00 0.00 C ATOM 113 O VAL A 9 10.504 13.688 -6.857 1.00 0.00 O ATOM 114 CB VAL A 9 10.052 10.421 -6.609 1.00 0.00 C ATOM 115 CG1 VAL A 9 9.736 11.067 -5.235 1.00 0.00 C ATOM 116 CG2 VAL A 9 8.958 9.395 -6.948 1.00 0.00 C ATOM 0 H VAL A 9 10.964 9.872 -8.915 1.00 0.00 H new ATOM 0 HA VAL A 9 9.268 11.855 -8.090 1.00 0.00 H new ATOM 0 HB VAL A 9 11.012 9.911 -6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.616 10.286 -4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.555 11.725 -4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.815 11.645 -5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.860 8.684 -6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.009 9.911 -7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.229 8.862 -7.860 1.00 0.00 H new ATOM 126 N GLU A 10 12.398 12.496 -7.198 1.00 0.00 N ATOM 127 CA GLU A 10 13.329 13.473 -6.617 1.00 0.00 C ATOM 128 C GLU A 10 13.436 14.750 -7.478 1.00 0.00 C ATOM 129 O GLU A 10 13.549 15.858 -6.939 1.00 0.00 O ATOM 130 CB GLU A 10 14.696 12.791 -6.420 1.00 0.00 C ATOM 131 CG GLU A 10 14.637 11.581 -5.452 1.00 0.00 C ATOM 132 CD GLU A 10 15.974 10.844 -5.304 1.00 0.00 C ATOM 133 OE1 GLU A 10 16.817 11.297 -4.504 1.00 0.00 O ATOM 134 OE2 GLU A 10 16.196 9.826 -5.996 1.00 0.00 O ATOM 0 H GLU A 10 12.860 11.670 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 10 12.950 13.802 -5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.072 12.457 -7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.408 13.522 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.313 11.928 -4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.883 10.879 -5.807 1.00 0.00 H new ATOM 141 N SER A 11 13.376 14.588 -8.812 1.00 0.00 N ATOM 142 CA SER A 11 13.324 15.730 -9.750 1.00 0.00 C ATOM 143 C SER A 11 11.978 16.466 -9.609 1.00 0.00 C ATOM 144 O SER A 11 11.921 17.698 -9.697 1.00 0.00 O ATOM 145 CB SER A 11 13.544 15.250 -11.200 1.00 0.00 C ATOM 146 OG SER A 11 14.810 14.634 -11.338 1.00 0.00 O ATOM 0 H SER A 11 13.362 13.676 -9.268 1.00 0.00 H new ATOM 0 HA SER A 11 14.125 16.427 -9.504 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.760 14.546 -11.478 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.470 16.096 -11.883 1.00 0.00 H new ATOM 0 HG SER A 11 14.929 14.335 -12.264 1.00 0.00 H new ATOM 152 N TYR A 12 10.908 15.690 -9.355 1.00 0.00 N ATOM 153 CA TYR A 12 9.563 16.227 -9.115 1.00 0.00 C ATOM 154 C TYR A 12 9.507 16.941 -7.762 1.00 0.00 C ATOM 155 O TYR A 12 8.869 17.968 -7.646 1.00 0.00 O ATOM 156 CB TYR A 12 8.489 15.112 -9.182 1.00 0.00 C ATOM 157 CG TYR A 12 8.370 14.427 -10.554 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.519 15.149 -11.747 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.070 13.068 -10.661 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.413 14.533 -12.973 1.00 0.00 C ATOM 161 CE2 TYR A 12 7.962 12.456 -11.885 1.00 0.00 C ATOM 162 CZ TYR A 12 8.118 13.190 -13.037 1.00 0.00 C ATOM 163 OH TYR A 12 8.000 12.569 -14.257 1.00 0.00 O ATOM 0 H TYR A 12 10.956 14.672 -9.311 1.00 0.00 H new ATOM 0 HA TYR A 12 9.346 16.948 -9.903 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.720 14.356 -8.431 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.522 15.539 -8.918 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.721 16.209 -11.703 1.00 0.00 H new ATOM 0 HD2 TYR A 12 7.920 12.487 -9.763 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.560 15.100 -13.880 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.754 11.398 -11.943 1.00 0.00 H new ATOM 0 HH TYR A 12 7.790 11.621 -14.123 1.00 0.00 H new ATOM 173 N GLU A 13 10.226 16.400 -6.771 1.00 0.00 N ATOM 174 CA GLU A 13 10.218 16.883 -5.392 1.00 0.00 C ATOM 175 C GLU A 13 10.767 18.316 -5.326 1.00 0.00 C ATOM 176 O GLU A 13 10.112 19.218 -4.794 1.00 0.00 O ATOM 177 CB GLU A 13 11.061 15.894 -4.533 1.00 0.00 C ATOM 178 CG GLU A 13 10.789 15.908 -3.022 1.00 0.00 C ATOM 179 CD GLU A 13 11.434 17.081 -2.268 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.673 17.074 -2.109 1.00 0.00 O ATOM 181 OE2 GLU A 13 10.713 17.984 -1.809 1.00 0.00 O ATOM 0 H GLU A 13 10.841 15.598 -6.912 1.00 0.00 H new ATOM 0 HA GLU A 13 9.202 16.920 -4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.887 14.884 -4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.116 16.114 -4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.711 15.937 -2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.151 14.974 -2.592 1.00 0.00 H new ATOM 188 N LYS A 14 11.963 18.507 -5.912 1.00 0.00 N ATOM 189 CA LYS A 14 12.639 19.813 -5.939 1.00 0.00 C ATOM 190 C LYS A 14 11.840 20.845 -6.759 1.00 0.00 C ATOM 191 O LYS A 14 11.720 21.992 -6.332 1.00 0.00 O ATOM 192 CB LYS A 14 14.092 19.717 -6.493 1.00 0.00 C ATOM 193 CG LYS A 14 14.215 19.149 -7.931 1.00 0.00 C ATOM 194 CD LYS A 14 15.481 19.630 -8.696 1.00 0.00 C ATOM 195 CE LYS A 14 15.383 21.091 -9.222 1.00 0.00 C ATOM 196 NZ LYS A 14 15.336 22.126 -8.147 1.00 0.00 N ATOM 0 H LYS A 14 12.484 17.764 -6.377 1.00 0.00 H new ATOM 0 HA LYS A 14 12.693 20.147 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.538 20.712 -6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.679 19.091 -5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.225 18.060 -7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.330 19.433 -8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.345 19.549 -8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.660 18.962 -9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.239 21.291 -9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.490 21.184 -9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.783 23.001 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.346 22.319 -7.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.847 21.780 -7.310 1.00 0.00 H new ATOM 210 N ILE A 15 11.290 20.429 -7.937 1.00 0.00 N ATOM 211 CA ILE A 15 10.559 21.356 -8.831 1.00 0.00 C ATOM 212 C ILE A 15 9.228 21.781 -8.178 1.00 0.00 C ATOM 213 O ILE A 15 8.796 22.913 -8.338 1.00 0.00 O ATOM 214 CB ILE A 15 10.332 20.763 -10.290 1.00 0.00 C ATOM 215 CG1 ILE A 15 9.935 21.888 -11.309 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.277 19.635 -10.303 1.00 0.00 C ATOM 217 CD1 ILE A 15 9.709 21.411 -12.741 1.00 0.00 C ATOM 0 H ILE A 15 11.342 19.470 -8.280 1.00 0.00 H new ATOM 0 HA ILE A 15 11.184 22.239 -8.966 1.00 0.00 H new ATOM 0 HB ILE A 15 11.284 20.332 -10.601 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.025 22.373 -10.956 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.718 22.646 -11.314 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.156 19.262 -11.320 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.605 18.823 -9.655 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.324 20.024 -9.944 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.439 22.260 -13.369 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.623 20.955 -13.121 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.903 20.677 -12.757 1.00 0.00 H new ATOM 229 N LEU A 16 8.614 20.868 -7.391 1.00 0.00 N ATOM 230 CA LEU A 16 7.388 21.168 -6.625 1.00 0.00 C ATOM 231 C LEU A 16 7.658 22.266 -5.591 1.00 0.00 C ATOM 232 O LEU A 16 6.843 23.182 -5.432 1.00 0.00 O ATOM 233 CB LEU A 16 6.837 19.888 -5.932 1.00 0.00 C ATOM 234 CG LEU A 16 6.101 18.878 -6.863 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.745 17.569 -6.121 1.00 0.00 C ATOM 236 CD2 LEU A 16 4.860 19.526 -7.498 1.00 0.00 C ATOM 0 H LEU A 16 8.952 19.913 -7.271 1.00 0.00 H new ATOM 0 HA LEU A 16 6.631 21.526 -7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.668 19.371 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.150 20.192 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 16 6.785 18.608 -7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.233 16.891 -6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.658 17.097 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.093 17.795 -5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.362 18.803 -8.144 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.174 19.844 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.163 20.391 -8.088 1.00 0.00 H new ATOM 248 N ARG A 17 8.826 22.177 -4.915 1.00 0.00 N ATOM 249 CA ARG A 17 9.263 23.210 -3.972 1.00 0.00 C ATOM 250 C ARG A 17 9.417 24.543 -4.711 1.00 0.00 C ATOM 251 O ARG A 17 8.797 25.514 -4.325 1.00 0.00 O ATOM 252 CB ARG A 17 10.596 22.840 -3.273 1.00 0.00 C ATOM 253 CG ARG A 17 10.592 21.492 -2.520 1.00 0.00 C ATOM 254 CD ARG A 17 11.882 21.259 -1.707 1.00 0.00 C ATOM 255 NE ARG A 17 13.109 21.510 -2.497 1.00 0.00 N ATOM 256 CZ ARG A 17 14.185 20.712 -2.551 1.00 0.00 C ATOM 257 NH1 ARG A 17 14.174 19.501 -2.014 1.00 0.00 N ATOM 258 NH2 ARG A 17 15.269 21.123 -3.181 1.00 0.00 N ATOM 0 H ARG A 17 9.477 21.397 -5.011 1.00 0.00 H new ATOM 0 HA ARG A 17 8.502 23.294 -3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.387 22.816 -4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.849 23.631 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.734 21.458 -1.849 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.468 20.681 -3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.878 21.910 -0.833 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.895 20.233 -1.340 1.00 0.00 H new ATOM 0 HE ARG A 17 13.138 22.367 -3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.335 19.158 -1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.005 18.912 -2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.284 22.042 -3.623 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.092 20.521 -3.226 1.00 0.00 H new ATOM 272 N ASP A 18 10.188 24.542 -5.823 1.00 0.00 N ATOM 273 CA ASP A 18 10.491 25.764 -6.609 1.00 0.00 C ATOM 274 C ASP A 18 9.209 26.497 -7.021 1.00 0.00 C ATOM 275 O ASP A 18 9.102 27.712 -6.851 1.00 0.00 O ATOM 276 CB ASP A 18 11.326 25.426 -7.875 1.00 0.00 C ATOM 277 CG ASP A 18 12.710 24.835 -7.560 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.418 25.386 -6.689 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.111 23.829 -8.193 1.00 0.00 O ATOM 0 H ASP A 18 10.617 23.697 -6.201 1.00 0.00 H new ATOM 0 HA ASP A 18 11.077 26.419 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.769 24.718 -8.489 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.453 26.331 -8.468 1.00 0.00 H new ATOM 284 N ARG A 19 8.229 25.709 -7.500 1.00 0.00 N ATOM 285 CA ARG A 19 6.914 26.203 -7.930 1.00 0.00 C ATOM 286 C ARG A 19 6.171 26.866 -6.763 1.00 0.00 C ATOM 287 O ARG A 19 5.716 27.993 -6.889 1.00 0.00 O ATOM 288 CB ARG A 19 6.063 25.041 -8.539 1.00 0.00 C ATOM 289 CG ARG A 19 6.203 24.821 -10.066 1.00 0.00 C ATOM 290 CD ARG A 19 7.659 24.708 -10.566 1.00 0.00 C ATOM 291 NE ARG A 19 8.261 26.003 -10.943 1.00 0.00 N ATOM 292 CZ ARG A 19 8.923 26.240 -12.087 1.00 0.00 C ATOM 293 NH1 ARG A 19 8.990 25.315 -13.032 1.00 0.00 N ATOM 294 NH2 ARG A 19 9.493 27.415 -12.283 1.00 0.00 N ATOM 0 H ARG A 19 8.332 24.699 -7.599 1.00 0.00 H new ATOM 0 HA ARG A 19 7.069 26.956 -8.703 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.335 24.115 -8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.013 25.231 -8.315 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.667 23.913 -10.340 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.717 25.647 -10.585 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.267 24.249 -9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.687 24.040 -11.427 1.00 0.00 H new ATOM 0 HE ARG A 19 8.167 26.776 -10.284 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.536 24.412 -12.895 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.495 25.506 -13.897 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.429 28.138 -11.567 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.997 27.599 -13.151 1.00 0.00 H new ATOM 308 N GLN A 20 6.074 26.160 -5.621 1.00 0.00 N ATOM 309 CA GLN A 20 5.310 26.654 -4.455 1.00 0.00 C ATOM 310 C GLN A 20 5.990 27.884 -3.834 1.00 0.00 C ATOM 311 O GLN A 20 5.311 28.753 -3.302 1.00 0.00 O ATOM 312 CB GLN A 20 5.086 25.531 -3.400 1.00 0.00 C ATOM 313 CG GLN A 20 6.255 25.290 -2.418 1.00 0.00 C ATOM 314 CD GLN A 20 6.125 24.043 -1.534 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.131 23.460 -1.128 1.00 0.00 O ATOM 316 NE2 GLN A 20 4.905 23.614 -1.221 1.00 0.00 N ATOM 0 H GLN A 20 6.512 25.250 -5.479 1.00 0.00 H new ATOM 0 HA GLN A 20 4.326 26.961 -4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.194 25.774 -2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.880 24.599 -3.927 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.179 25.214 -2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.351 26.163 -1.773 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.085 24.112 -1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.790 22.788 -0.634 1.00 0.00 H new ATOM 325 N ARG A 21 7.337 27.954 -3.952 1.00 0.00 N ATOM 326 CA ARG A 21 8.150 29.038 -3.378 1.00 0.00 C ATOM 327 C ARG A 21 7.923 30.341 -4.161 1.00 0.00 C ATOM 328 O ARG A 21 7.579 31.369 -3.569 1.00 0.00 O ATOM 329 CB ARG A 21 9.666 28.678 -3.368 1.00 0.00 C ATOM 330 CG ARG A 21 10.077 27.518 -2.435 1.00 0.00 C ATOM 331 CD ARG A 21 9.565 27.682 -0.999 1.00 0.00 C ATOM 332 NE ARG A 21 10.095 26.640 -0.105 1.00 0.00 N ATOM 333 CZ ARG A 21 9.363 25.790 0.631 1.00 0.00 C ATOM 334 NH1 ARG A 21 8.038 25.815 0.596 1.00 0.00 N ATOM 335 NH2 ARG A 21 9.977 24.928 1.422 1.00 0.00 N ATOM 0 H ARG A 21 7.887 27.255 -4.451 1.00 0.00 H new ATOM 0 HA ARG A 21 7.834 29.177 -2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.966 28.425 -4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.229 29.566 -3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.698 26.581 -2.843 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.164 27.442 -2.419 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.851 28.664 -0.622 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.476 27.644 -0.995 1.00 0.00 H new ATOM 0 HE ARG A 21 11.109 26.557 -0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.556 26.489 0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.500 25.160 1.164 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.996 24.914 1.468 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.432 24.276 1.987 1.00 0.00 H new ATOM 349 N GLU A 22 8.121 30.282 -5.494 1.00 0.00 N ATOM 350 CA GLU A 22 7.934 31.445 -6.392 1.00 0.00 C ATOM 351 C GLU A 22 6.474 31.933 -6.349 1.00 0.00 C ATOM 352 O GLU A 22 6.199 33.127 -6.504 1.00 0.00 O ATOM 353 CB GLU A 22 8.384 31.100 -7.842 1.00 0.00 C ATOM 354 CG GLU A 22 7.588 29.966 -8.516 1.00 0.00 C ATOM 355 CD GLU A 22 8.232 29.445 -9.815 1.00 0.00 C ATOM 356 OE1 GLU A 22 9.237 28.713 -9.736 1.00 0.00 O ATOM 357 OE2 GLU A 22 7.741 29.766 -10.914 1.00 0.00 O ATOM 0 H GLU A 22 8.413 29.433 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 22 8.565 32.262 -6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.301 31.997 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.438 30.823 -7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.486 29.138 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.582 30.322 -8.737 1.00 0.00 H new ATOM 364 N LEU A 23 5.546 30.988 -6.096 1.00 0.00 N ATOM 365 CA LEU A 23 4.139 31.314 -5.828 1.00 0.00 C ATOM 366 C LEU A 23 3.986 32.001 -4.469 1.00 0.00 C ATOM 367 O LEU A 23 3.277 32.981 -4.385 1.00 0.00 O ATOM 368 CB LEU A 23 3.234 30.067 -5.895 1.00 0.00 C ATOM 369 CG LEU A 23 3.014 29.441 -7.303 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.174 28.150 -7.209 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.389 30.459 -8.284 1.00 0.00 C ATOM 0 H LEU A 23 5.752 29.989 -6.073 1.00 0.00 H new ATOM 0 HA LEU A 23 3.819 32.002 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.659 29.302 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.260 30.330 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 23 3.991 29.170 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.035 27.733 -8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.691 27.424 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.202 28.379 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.249 29.988 -9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.424 30.790 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.052 31.318 -8.388 1.00 0.00 H new ATOM 383 N TYR A 24 4.682 31.495 -3.423 1.00 0.00 N ATOM 384 CA TYR A 24 4.581 32.039 -2.038 1.00 0.00 C ATOM 385 C TYR A 24 4.926 33.544 -1.979 1.00 0.00 C ATOM 386 O TYR A 24 4.300 34.281 -1.228 1.00 0.00 O ATOM 387 CB TYR A 24 5.447 31.218 -1.016 1.00 0.00 C ATOM 388 CG TYR A 24 4.653 30.188 -0.182 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.660 30.603 0.714 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.872 28.810 -0.307 1.00 0.00 C ATOM 391 CE1 TYR A 24 2.940 29.688 1.461 1.00 0.00 C ATOM 392 CE2 TYR A 24 4.152 27.896 0.433 1.00 0.00 C ATOM 393 CZ TYR A 24 3.179 28.335 1.306 1.00 0.00 C ATOM 394 OH TYR A 24 2.456 27.420 2.043 1.00 0.00 O ATOM 0 H TYR A 24 5.324 30.707 -3.508 1.00 0.00 H new ATOM 0 HA TYR A 24 3.538 31.932 -1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.232 30.696 -1.563 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.940 31.913 -0.337 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.452 31.657 0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.622 28.455 -0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.194 30.029 2.163 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.350 26.839 0.329 1.00 0.00 H new ATOM 0 HH TYR A 24 2.746 26.513 1.814 1.00 0.00 H new ATOM 404 N ARG A 25 5.915 33.987 -2.781 1.00 0.00 N ATOM 405 CA ARG A 25 6.256 35.429 -2.894 1.00 0.00 C ATOM 406 C ARG A 25 5.282 36.161 -3.851 1.00 0.00 C ATOM 407 O ARG A 25 5.039 37.358 -3.695 1.00 0.00 O ATOM 408 CB ARG A 25 7.727 35.639 -3.356 1.00 0.00 C ATOM 409 CG ARG A 25 8.067 35.085 -4.758 1.00 0.00 C ATOM 410 CD ARG A 25 9.467 35.497 -5.237 1.00 0.00 C ATOM 411 NE ARG A 25 9.839 34.833 -6.502 1.00 0.00 N ATOM 412 CZ ARG A 25 10.953 35.102 -7.211 1.00 0.00 C ATOM 413 NH1 ARG A 25 11.810 36.022 -6.801 1.00 0.00 N ATOM 414 NH2 ARG A 25 11.218 34.435 -8.319 1.00 0.00 N ATOM 0 H ARG A 25 6.491 33.375 -3.359 1.00 0.00 H new ATOM 0 HA ARG A 25 6.152 35.860 -1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.945 36.707 -3.343 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.389 35.170 -2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.000 33.997 -4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.324 35.439 -5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.500 36.578 -5.372 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.200 35.249 -4.469 1.00 0.00 H new ATOM 0 HE ARG A 25 9.207 34.119 -6.866 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.631 36.537 -5.939 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.650 36.216 -7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.578 33.711 -8.644 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.063 34.644 -8.850 1.00 0.00 H new ATOM 428 N ARG A 26 4.749 35.423 -4.853 1.00 0.00 N ATOM 429 CA ARG A 26 3.765 35.945 -5.834 1.00 0.00 C ATOM 430 C ARG A 26 2.407 36.289 -5.175 1.00 0.00 C ATOM 431 O ARG A 26 1.770 37.277 -5.548 1.00 0.00 O ATOM 432 CB ARG A 26 3.577 34.904 -6.978 1.00 0.00 C ATOM 433 CG ARG A 26 2.427 35.186 -7.973 1.00 0.00 C ATOM 434 CD ARG A 26 2.405 34.175 -9.135 1.00 0.00 C ATOM 435 NE ARG A 26 1.299 34.428 -10.075 1.00 0.00 N ATOM 436 CZ ARG A 26 1.402 35.096 -11.236 1.00 0.00 C ATOM 437 NH1 ARG A 26 2.547 35.659 -11.603 1.00 0.00 N ATOM 438 NH2 ARG A 26 0.345 35.197 -12.027 1.00 0.00 N ATOM 0 H ARG A 26 4.990 34.444 -5.005 1.00 0.00 H new ATOM 0 HA ARG A 26 4.156 36.876 -6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.509 34.840 -7.540 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.409 33.926 -6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.474 35.151 -7.445 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.533 36.195 -8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.353 34.221 -9.672 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.314 33.166 -8.734 1.00 0.00 H new ATOM 0 HE ARG A 26 0.379 34.066 -9.823 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.367 35.588 -11.000 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.607 36.162 -12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.540 34.769 -11.753 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.415 35.703 -12.910 1.00 0.00 H new ATOM 452 N LEU A 27 1.964 35.471 -4.197 1.00 0.00 N ATOM 453 CA LEU A 27 0.655 35.661 -3.535 1.00 0.00 C ATOM 454 C LEU A 27 0.806 36.421 -2.208 1.00 0.00 C ATOM 455 O LEU A 27 -0.046 37.249 -1.874 1.00 0.00 O ATOM 456 CB LEU A 27 -0.141 34.316 -3.413 1.00 0.00 C ATOM 457 CG LEU A 27 0.601 33.014 -2.944 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.997 33.019 -1.456 1.00 0.00 C ATOM 459 CD2 LEU A 27 -0.220 31.758 -3.292 1.00 0.00 C ATOM 0 H LEU A 27 2.494 34.672 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 27 0.041 36.296 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.967 34.487 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.580 34.107 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 27 1.539 32.993 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.504 32.086 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.665 33.857 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.102 33.117 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.315 30.869 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.189 31.807 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.368 31.707 -4.371 1.00 0.00 H new ATOM 471 N HIS A 28 1.918 36.180 -1.469 1.00 0.00 N ATOM 472 CA HIS A 28 2.302 37.021 -0.306 1.00 0.00 C ATOM 473 C HIS A 28 3.254 38.146 -0.779 1.00 0.00 C ATOM 474 O HIS A 28 4.260 38.460 -0.150 1.00 0.00 O ATOM 475 CB HIS A 28 2.913 36.178 0.854 1.00 0.00 C ATOM 476 CG HIS A 28 1.896 35.513 1.753 1.00 0.00 C ATOM 477 ND1 HIS A 28 1.238 36.194 2.750 1.00 0.00 N ATOM 478 CD2 HIS A 28 1.415 34.244 1.795 1.00 0.00 C ATOM 479 CE1 HIS A 28 0.404 35.384 3.366 1.00 0.00 C ATOM 480 NE2 HIS A 28 0.486 34.196 2.804 1.00 0.00 N ATOM 0 H HIS A 28 2.563 35.413 -1.657 1.00 0.00 H new ATOM 0 HA HIS A 28 1.403 37.478 0.107 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.558 35.410 0.427 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.547 36.825 1.461 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.709 33.426 1.154 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -0.239 35.649 4.192 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -0.053 33.374 3.075 1.00 0.00 H new ATOM 932 N LEU A 58 -4.025 36.869 -1.542 1.00 0.00 N ATOM 933 CA LEU A 58 -3.392 35.838 -2.392 1.00 0.00 C ATOM 934 C LEU A 58 -4.081 35.755 -3.766 1.00 0.00 C ATOM 935 O LEU A 58 -5.173 36.307 -3.958 1.00 0.00 O ATOM 936 CB LEU A 58 -3.433 34.428 -1.724 1.00 0.00 C ATOM 937 CG LEU A 58 -2.906 34.287 -0.260 1.00 0.00 C ATOM 938 CD1 LEU A 58 -2.644 32.806 0.101 1.00 0.00 C ATOM 939 CD2 LEU A 58 -1.670 35.165 0.026 1.00 0.00 C ATOM 0 HA LEU A 58 -2.352 36.138 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.467 34.082 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.859 33.746 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.698 34.660 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.278 32.741 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.571 32.240 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.898 32.393 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.353 35.022 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.859 34.881 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.923 36.213 -0.134 1.00 0.00 H new ATOM 951 N GLY A 59 -3.432 35.050 -4.711 1.00 0.00 N ATOM 952 CA GLY A 59 -4.023 34.732 -6.011 1.00 0.00 C ATOM 953 C GLY A 59 -4.654 33.347 -5.995 1.00 0.00 C ATOM 954 O GLY A 59 -4.014 32.402 -5.533 1.00 0.00 O ATOM 0 H GLY A 59 -2.486 34.689 -4.589 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.777 35.477 -6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.257 34.778 -6.785 1.00 0.00 H new ATOM 958 N GLN A 60 -5.906 33.242 -6.494 1.00 0.00 N ATOM 959 CA GLN A 60 -6.717 31.993 -6.481 1.00 0.00 C ATOM 960 C GLN A 60 -5.958 30.773 -7.072 1.00 0.00 C ATOM 961 O GLN A 60 -5.840 29.738 -6.416 1.00 0.00 O ATOM 962 CB GLN A 60 -8.075 32.235 -7.220 1.00 0.00 C ATOM 963 CG GLN A 60 -7.949 32.823 -8.647 1.00 0.00 C ATOM 964 CD GLN A 60 -9.302 33.113 -9.315 1.00 0.00 C ATOM 965 OE1 GLN A 60 -9.850 34.210 -9.183 1.00 0.00 O ATOM 966 NE2 GLN A 60 -9.836 32.142 -10.043 1.00 0.00 N ATOM 0 H GLN A 60 -6.392 34.029 -6.923 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.917 31.741 -5.439 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.612 31.289 -7.280 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.684 32.910 -6.618 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.371 33.746 -8.601 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.388 32.126 -9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.355 31.247 -10.131 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.728 32.290 -10.516 1.00 0.00 H new ATOM 975 N VAL A 61 -5.409 30.940 -8.289 1.00 0.00 N ATOM 976 CA VAL A 61 -4.650 29.889 -9.002 1.00 0.00 C ATOM 977 C VAL A 61 -3.339 29.563 -8.269 1.00 0.00 C ATOM 978 O VAL A 61 -2.897 28.422 -8.292 1.00 0.00 O ATOM 979 CB VAL A 61 -4.376 30.308 -10.500 1.00 0.00 C ATOM 980 CG1 VAL A 61 -3.611 31.648 -10.592 1.00 0.00 C ATOM 981 CG2 VAL A 61 -3.647 29.183 -11.290 1.00 0.00 C ATOM 0 H VAL A 61 -5.479 31.813 -8.811 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.258 28.985 -9.014 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.348 30.457 -10.969 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.443 31.900 -11.639 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.198 32.435 -10.119 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.652 31.555 -10.083 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.477 29.510 -12.316 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.690 28.966 -10.815 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.262 28.283 -11.294 1.00 0.00 H new ATOM 991 N GLY A 62 -2.742 30.573 -7.607 1.00 0.00 N ATOM 992 CA GLY A 62 -1.549 30.370 -6.784 1.00 0.00 C ATOM 993 C GLY A 62 -1.825 29.447 -5.598 1.00 0.00 C ATOM 994 O GLY A 62 -0.983 28.628 -5.244 1.00 0.00 O ATOM 0 H GLY A 62 -3.073 31.538 -7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.753 29.946 -7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.192 31.333 -6.419 1.00 0.00 H new ATOM 998 N GLN A 63 -3.036 29.577 -5.019 1.00 0.00 N ATOM 999 CA GLN A 63 -3.487 28.798 -3.844 1.00 0.00 C ATOM 1000 C GLN A 63 -3.886 27.367 -4.235 1.00 0.00 C ATOM 1001 O GLN A 63 -3.599 26.422 -3.505 1.00 0.00 O ATOM 1002 CB GLN A 63 -4.694 29.498 -3.186 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.403 30.897 -2.636 1.00 0.00 C ATOM 1004 CD GLN A 63 -5.653 31.589 -2.097 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -6.338 32.301 -2.824 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -5.966 31.364 -0.833 1.00 0.00 N ATOM 0 H GLN A 63 -3.739 30.234 -5.358 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.655 28.743 -3.142 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.498 29.571 -3.919 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.060 28.872 -2.372 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.662 30.823 -1.840 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.965 31.509 -3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.372 30.766 -0.259 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.802 31.788 -0.431 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.582 27.238 -5.381 1.00 0.00 N ATOM 1016 CA ASP A 64 -5.045 25.933 -5.917 1.00 0.00 C ATOM 1017 C ASP A 64 -3.851 25.091 -6.358 1.00 0.00 C ATOM 1018 O ASP A 64 -3.827 23.870 -6.163 1.00 0.00 O ATOM 1019 CB ASP A 64 -6.023 26.123 -7.116 1.00 0.00 C ATOM 1020 CG ASP A 64 -7.411 26.618 -6.692 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -8.123 25.869 -5.999 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -7.804 27.749 -7.039 1.00 0.00 O ATOM 0 H ASP A 64 -4.842 28.033 -5.965 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.580 25.419 -5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.590 26.834 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.128 25.175 -7.644 1.00 0.00 H new ATOM 1027 N GLU A 65 -2.869 25.776 -6.960 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.629 25.160 -7.425 1.00 0.00 C ATOM 1029 C GLU A 65 -0.771 24.759 -6.218 1.00 0.00 C ATOM 1030 O GLU A 65 -0.191 23.682 -6.218 1.00 0.00 O ATOM 1031 CB GLU A 65 -0.889 26.128 -8.383 1.00 0.00 C ATOM 1032 CG GLU A 65 0.285 25.502 -9.161 1.00 0.00 C ATOM 1033 CD GLU A 65 0.684 26.298 -10.420 1.00 0.00 C ATOM 1034 OE1 GLU A 65 0.077 26.068 -11.488 1.00 0.00 O ATOM 1035 OE2 GLU A 65 1.577 27.162 -10.348 1.00 0.00 O ATOM 0 H GLU A 65 -2.918 26.779 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.846 24.252 -7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.608 26.527 -9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.513 26.972 -7.804 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.149 25.426 -8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.017 24.487 -9.453 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.753 25.635 -5.181 1.00 0.00 N ATOM 1043 CA LEU A 66 -0.116 25.356 -3.868 1.00 0.00 C ATOM 1044 C LEU A 66 -0.701 24.070 -3.252 1.00 0.00 C ATOM 1045 O LEU A 66 0.029 23.204 -2.808 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.311 26.569 -2.877 1.00 0.00 C ATOM 1047 CG LEU A 66 0.976 27.325 -2.406 1.00 0.00 C ATOM 1048 CD1 LEU A 66 1.798 27.821 -3.595 1.00 0.00 C ATOM 1049 CD2 LEU A 66 0.606 28.498 -1.464 1.00 0.00 C ATOM 0 H LEU A 66 -1.182 26.559 -5.232 1.00 0.00 H new ATOM 0 HA LEU A 66 0.952 25.216 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.971 27.293 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.829 26.201 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 66 1.593 26.619 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.685 28.341 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.101 26.972 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.196 28.504 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.514 29.011 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.041 29.198 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.084 28.111 -0.589 1.00 0.00 H new ATOM 1061 N ARG A 67 -2.041 23.976 -3.267 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.791 22.855 -2.664 1.00 0.00 C ATOM 1063 C ARG A 67 -2.454 21.529 -3.375 1.00 0.00 C ATOM 1064 O ARG A 67 -2.344 20.481 -2.734 1.00 0.00 O ATOM 1065 CB ARG A 67 -4.316 23.154 -2.726 1.00 0.00 C ATOM 1066 CG ARG A 67 -5.213 22.135 -1.985 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.702 22.503 -2.055 1.00 0.00 C ATOM 1068 NE ARG A 67 -7.535 21.554 -1.302 1.00 0.00 N ATOM 1069 CZ ARG A 67 -8.876 21.587 -1.243 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -9.577 22.494 -1.926 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -9.517 20.710 -0.494 1.00 0.00 N ATOM 0 H ARG A 67 -2.641 24.679 -3.700 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.499 22.750 -1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.494 24.144 -2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.621 23.191 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.066 21.145 -2.417 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.905 22.076 -0.941 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.847 23.508 -1.659 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.023 22.522 -3.096 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.058 20.815 -0.785 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.095 23.180 -2.507 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.595 22.502 -1.867 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.994 20.013 0.036 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.536 20.729 -0.445 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.275 21.614 -4.706 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.906 20.467 -5.556 1.00 0.00 C ATOM 1087 C ALA A 68 -0.440 20.046 -5.319 1.00 0.00 C ATOM 1088 O ALA A 68 -0.126 18.849 -5.328 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.138 20.817 -7.038 1.00 0.00 C ATOM 0 H ALA A 68 -2.383 22.485 -5.225 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.540 19.622 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.863 19.965 -7.660 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.190 21.057 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.525 21.677 -7.309 1.00 0.00 H new ATOM 1095 N ILE A 69 0.445 21.050 -5.112 1.00 0.00 N ATOM 1096 CA ILE A 69 1.891 20.842 -4.874 1.00 0.00 C ATOM 1097 C ILE A 69 2.119 20.149 -3.527 1.00 0.00 C ATOM 1098 O ILE A 69 2.807 19.137 -3.459 1.00 0.00 O ATOM 1099 CB ILE A 69 2.683 22.209 -4.917 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.719 22.789 -6.370 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.115 22.059 -4.350 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.173 24.231 -6.474 1.00 0.00 C ATOM 0 H ILE A 69 0.173 22.033 -5.106 1.00 0.00 H new ATOM 0 HA ILE A 69 2.269 20.203 -5.672 1.00 0.00 H new ATOM 0 HB ILE A 69 2.150 22.914 -4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.382 22.171 -6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.722 22.706 -6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.627 23.020 -4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.063 21.726 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.665 21.326 -4.940 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.164 24.541 -7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.498 24.867 -5.901 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.184 24.324 -6.077 1.00 0.00 H new ATOM 1114 N ASP A 70 1.524 20.729 -2.475 1.00 0.00 N ATOM 1115 CA ASP A 70 1.627 20.239 -1.092 1.00 0.00 C ATOM 1116 C ASP A 70 0.974 18.854 -0.942 1.00 0.00 C ATOM 1117 O ASP A 70 1.400 18.064 -0.099 1.00 0.00 O ATOM 1118 CB ASP A 70 0.986 21.268 -0.116 1.00 0.00 C ATOM 1119 CG ASP A 70 1.837 22.546 0.074 1.00 0.00 C ATOM 1120 OD1 ASP A 70 2.102 23.258 -0.915 1.00 0.00 O ATOM 1121 OD2 ASP A 70 2.251 22.838 1.220 1.00 0.00 O ATOM 0 H ASP A 70 0.948 21.566 -2.562 1.00 0.00 H new ATOM 0 HA ASP A 70 2.682 20.129 -0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.001 21.548 -0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.835 20.793 0.853 1.00 0.00 H new ATOM 1126 N ALA A 71 -0.061 18.573 -1.770 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.698 17.239 -1.839 1.00 0.00 C ATOM 1128 C ALA A 71 0.302 16.205 -2.382 1.00 0.00 C ATOM 1129 O ALA A 71 0.470 15.122 -1.815 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.967 17.274 -2.715 1.00 0.00 C ATOM 0 H ALA A 71 -0.473 19.259 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.995 16.949 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.414 16.280 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.682 17.980 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.703 17.587 -3.725 1.00 0.00 H new ATOM 1136 N ALA A 72 0.987 16.600 -3.467 1.00 0.00 N ATOM 1137 CA ALA A 72 1.996 15.776 -4.148 1.00 0.00 C ATOM 1138 C ALA A 72 3.235 15.544 -3.250 1.00 0.00 C ATOM 1139 O ALA A 72 3.762 14.431 -3.195 1.00 0.00 O ATOM 1140 CB ALA A 72 2.378 16.447 -5.474 1.00 0.00 C ATOM 0 H ALA A 72 0.853 17.513 -3.901 1.00 0.00 H new ATOM 0 HA ALA A 72 1.575 14.792 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.126 15.842 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.493 16.538 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.786 17.438 -5.276 1.00 0.00 H new ATOM 1146 N LEU A 73 3.648 16.602 -2.521 1.00 0.00 N ATOM 1147 CA LEU A 73 4.793 16.566 -1.581 1.00 0.00 C ATOM 1148 C LEU A 73 4.469 15.714 -0.343 1.00 0.00 C ATOM 1149 O LEU A 73 5.362 15.092 0.231 1.00 0.00 O ATOM 1150 CB LEU A 73 5.201 18.004 -1.144 1.00 0.00 C ATOM 1151 CG LEU A 73 5.943 18.864 -2.220 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.168 20.307 -1.721 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.285 18.204 -2.637 1.00 0.00 C ATOM 0 H LEU A 73 3.194 17.514 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 73 5.632 16.109 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.301 18.538 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.841 17.927 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 73 5.306 18.911 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.686 20.881 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.206 20.772 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.772 20.288 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.778 18.824 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.930 18.108 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.090 17.216 -3.055 1.00 0.00 H new ATOM 1165 N ALA A 74 3.182 15.712 0.060 1.00 0.00 N ATOM 1166 CA ALA A 74 2.674 14.857 1.156 1.00 0.00 C ATOM 1167 C ALA A 74 2.766 13.373 0.769 1.00 0.00 C ATOM 1168 O ALA A 74 3.036 12.520 1.616 1.00 0.00 O ATOM 1169 CB ALA A 74 1.227 15.236 1.525 1.00 0.00 C ATOM 0 H ALA A 74 2.465 16.302 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 74 3.299 15.023 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.877 14.593 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.195 16.276 1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.584 15.107 0.654 1.00 0.00 H new ATOM 1175 N ARG A 75 2.551 13.091 -0.536 1.00 0.00 N ATOM 1176 CA ARG A 75 2.669 11.731 -1.097 1.00 0.00 C ATOM 1177 C ARG A 75 4.130 11.282 -1.177 1.00 0.00 C ATOM 1178 O ARG A 75 4.422 10.119 -0.941 1.00 0.00 O ATOM 1179 CB ARG A 75 2.001 11.645 -2.492 1.00 0.00 C ATOM 1180 CG ARG A 75 0.500 11.963 -2.481 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.311 11.006 -1.575 1.00 0.00 C ATOM 1182 NE ARG A 75 -1.580 11.606 -1.150 1.00 0.00 N ATOM 1183 CZ ARG A 75 -2.545 10.977 -0.466 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -2.469 9.683 -0.201 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -3.594 11.658 -0.061 1.00 0.00 N ATOM 0 H ARG A 75 2.292 13.798 -1.225 1.00 0.00 H new ATOM 0 HA ARG A 75 2.146 11.055 -0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.504 12.336 -3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.147 10.642 -2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.353 12.988 -2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.114 11.906 -3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.509 10.078 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.281 10.747 -0.697 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.741 12.583 -1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.664 9.144 -0.519 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.216 9.225 0.321 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.667 12.654 -0.268 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.335 11.190 0.461 1.00 0.00 H new ATOM 1199 N ILE A 76 5.046 12.207 -1.520 1.00 0.00 N ATOM 1200 CA ILE A 76 6.500 11.914 -1.538 1.00 0.00 C ATOM 1201 C ILE A 76 6.989 11.629 -0.103 1.00 0.00 C ATOM 1202 O ILE A 76 7.756 10.690 0.138 1.00 0.00 O ATOM 1203 CB ILE A 76 7.339 13.091 -2.167 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.800 13.447 -3.588 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.844 12.717 -2.224 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.445 14.639 -4.263 1.00 0.00 C ATOM 0 H ILE A 76 4.810 13.162 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 76 6.651 11.036 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 76 7.232 13.971 -1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.928 12.577 -4.232 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.729 13.633 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.407 13.541 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.209 12.522 -1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.974 11.824 -2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.992 14.792 -5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.295 15.529 -3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.513 14.456 -4.382 1.00 0.00 H new ATOM 1218 N ALA A 77 6.484 12.441 0.837 1.00 0.00 N ATOM 1219 CA ALA A 77 6.776 12.332 2.275 1.00 0.00 C ATOM 1220 C ALA A 77 6.177 11.043 2.891 1.00 0.00 C ATOM 1221 O ALA A 77 6.673 10.551 3.908 1.00 0.00 O ATOM 1222 CB ALA A 77 6.263 13.585 3.006 1.00 0.00 C ATOM 0 H ALA A 77 5.848 13.207 0.615 1.00 0.00 H new ATOM 0 HA ALA A 77 7.857 12.266 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.481 13.500 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.758 14.469 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.186 13.675 2.862 1.00 0.00 H new ATOM 1228 N SER A 78 5.109 10.516 2.260 1.00 0.00 N ATOM 1229 CA SER A 78 4.447 9.262 2.675 1.00 0.00 C ATOM 1230 C SER A 78 4.896 8.071 1.783 1.00 0.00 C ATOM 1231 O SER A 78 4.400 6.955 1.953 1.00 0.00 O ATOM 1232 CB SER A 78 2.910 9.463 2.621 1.00 0.00 C ATOM 1233 OG SER A 78 2.192 8.339 3.125 1.00 0.00 O ATOM 0 H SER A 78 4.679 10.950 1.444 1.00 0.00 H new ATOM 0 HA SER A 78 4.739 9.018 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.643 10.349 3.198 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.608 9.650 1.591 1.00 0.00 H new ATOM 0 HG SER A 78 2.742 7.533 3.035 1.00 0.00 H new ATOM 1239 N GLY A 79 5.830 8.330 0.832 1.00 0.00 N ATOM 1240 CA GLY A 79 6.413 7.286 -0.036 1.00 0.00 C ATOM 1241 C GLY A 79 5.420 6.648 -1.017 1.00 0.00 C ATOM 1242 O GLY A 79 5.661 5.548 -1.526 1.00 0.00 O ATOM 0 H GLY A 79 6.195 9.265 0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.236 7.720 -0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.837 6.503 0.593 1.00 0.00 H new ATOM 1246 N THR A 80 4.304 7.348 -1.270 1.00 0.00 N ATOM 1247 CA THR A 80 3.209 6.888 -2.145 1.00 0.00 C ATOM 1248 C THR A 80 2.873 7.959 -3.222 1.00 0.00 C ATOM 1249 O THR A 80 1.730 8.073 -3.691 1.00 0.00 O ATOM 1250 CB THR A 80 1.958 6.533 -1.268 1.00 0.00 C ATOM 1251 OG1 THR A 80 0.899 6.009 -2.086 1.00 0.00 O ATOM 1252 CG2 THR A 80 1.445 7.742 -0.461 1.00 0.00 C ATOM 0 H THR A 80 4.132 8.268 -0.865 1.00 0.00 H new ATOM 0 HA THR A 80 3.524 5.991 -2.678 1.00 0.00 H new ATOM 0 HB THR A 80 2.278 5.772 -0.556 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.127 5.792 -1.522 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.578 7.444 0.129 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.233 8.096 0.204 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.161 8.542 -1.145 1.00 0.00 H new ATOM 1260 N PHE A 81 3.890 8.757 -3.610 1.00 0.00 N ATOM 1261 CA PHE A 81 3.814 9.629 -4.798 1.00 0.00 C ATOM 1262 C PHE A 81 3.555 8.791 -6.059 1.00 0.00 C ATOM 1263 O PHE A 81 4.077 7.673 -6.185 1.00 0.00 O ATOM 1264 CB PHE A 81 5.104 10.465 -4.958 1.00 0.00 C ATOM 1265 CG PHE A 81 5.033 11.516 -6.080 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.252 12.665 -5.934 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.754 11.367 -7.260 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.183 13.609 -6.941 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.682 12.309 -8.261 1.00 0.00 C ATOM 1270 CZ PHE A 81 4.911 13.439 -8.097 1.00 0.00 C ATOM 0 H PHE A 81 4.779 8.814 -3.113 1.00 0.00 H new ATOM 0 HA PHE A 81 2.982 10.320 -4.660 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.318 10.969 -4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.938 9.792 -5.156 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.694 12.818 -5.022 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.381 10.498 -7.393 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.557 14.481 -6.821 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.232 12.162 -9.179 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.878 14.189 -8.873 1.00 0.00 H new ATOM 1280 N GLY A 82 2.760 9.350 -6.981 1.00 0.00 N ATOM 1281 CA GLY A 82 2.315 8.627 -8.162 1.00 0.00 C ATOM 1282 C GLY A 82 1.091 7.766 -7.866 1.00 0.00 C ATOM 1283 O GLY A 82 0.938 6.688 -8.433 1.00 0.00 O ATOM 0 H GLY A 82 2.414 10.308 -6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.078 9.336 -8.956 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.124 7.996 -8.529 1.00 0.00 H new ATOM 1287 N THR A 83 0.221 8.255 -6.954 1.00 0.00 N ATOM 1288 CA THR A 83 -1.066 7.602 -6.624 1.00 0.00 C ATOM 1289 C THR A 83 -2.226 8.604 -6.791 1.00 0.00 C ATOM 1290 O THR A 83 -2.235 9.675 -6.168 1.00 0.00 O ATOM 1291 CB THR A 83 -1.067 7.025 -5.165 1.00 0.00 C ATOM 1292 OG1 THR A 83 0.037 6.123 -5.005 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.374 6.280 -4.817 1.00 0.00 C ATOM 0 H THR A 83 0.391 9.112 -6.427 1.00 0.00 H new ATOM 0 HA THR A 83 -1.200 6.769 -7.314 1.00 0.00 H new ATOM 0 HB THR A 83 -0.980 7.874 -4.487 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.305 6.098 -4.063 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.317 5.903 -3.796 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.217 6.965 -4.904 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.511 5.446 -5.505 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.172 8.259 -7.683 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.399 9.026 -7.907 1.00 0.00 C ATOM 1303 C CYS A 84 -5.403 8.775 -6.783 1.00 0.00 C ATOM 1304 O CYS A 84 -6.092 7.748 -6.765 1.00 0.00 O ATOM 1305 CB CYS A 84 -5.026 8.668 -9.257 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.524 9.633 -9.648 1.00 0.00 S ATOM 0 H CYS A 84 -3.100 7.430 -8.272 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.137 10.084 -7.915 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.288 8.825 -10.044 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.276 7.607 -9.262 1.00 0.00 H new ATOM 0 HG CYS A 84 -7.389 9.500 -8.687 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.489 9.743 -5.868 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.317 9.659 -4.646 1.00 0.00 C ATOM 1313 C VAL A 85 -7.825 9.819 -4.944 1.00 0.00 C ATOM 1314 O VAL A 85 -8.666 9.580 -4.068 1.00 0.00 O ATOM 1315 CB VAL A 85 -5.846 10.744 -3.610 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.331 10.600 -3.330 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -6.198 12.185 -4.078 1.00 0.00 C ATOM 0 H VAL A 85 -4.981 10.624 -5.949 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.181 8.663 -4.224 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.387 10.573 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.020 11.358 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.129 9.609 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.775 10.731 -4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.855 12.903 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.708 12.388 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.278 12.275 -4.199 1.00 0.00 H new ATOM 1327 N LYS A 86 -8.150 10.241 -6.181 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.542 10.473 -6.613 1.00 0.00 C ATOM 1329 C LYS A 86 -10.238 9.147 -7.013 1.00 0.00 C ATOM 1330 O LYS A 86 -11.468 9.047 -6.950 1.00 0.00 O ATOM 1331 CB LYS A 86 -9.565 11.496 -7.788 1.00 0.00 C ATOM 1332 CG LYS A 86 -10.949 12.159 -8.034 1.00 0.00 C ATOM 1333 CD LYS A 86 -10.942 13.145 -9.231 1.00 0.00 C ATOM 1334 CE LYS A 86 -12.239 13.974 -9.348 1.00 0.00 C ATOM 1335 NZ LYS A 86 -13.449 13.122 -9.520 1.00 0.00 N ATOM 0 H LYS A 86 -7.458 10.430 -6.906 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.101 10.888 -5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.832 12.277 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.251 10.990 -8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.692 11.382 -8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.257 12.691 -7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.094 13.822 -9.130 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.793 12.584 -10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.355 14.588 -8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.155 14.655 -10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.292 13.727 -9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.354 12.554 -10.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.547 12.489 -8.701 1.00 0.00 H new ATOM 1349 N CYS A 87 -9.444 8.125 -7.417 1.00 0.00 N ATOM 1350 CA CYS A 87 -9.999 6.812 -7.858 1.00 0.00 C ATOM 1351 C CYS A 87 -9.170 5.618 -7.326 1.00 0.00 C ATOM 1352 O CYS A 87 -9.394 4.478 -7.751 1.00 0.00 O ATOM 1353 CB CYS A 87 -10.101 6.752 -9.405 1.00 0.00 C ATOM 1354 SG CYS A 87 -8.508 6.719 -10.282 1.00 0.00 S ATOM 0 H CYS A 87 -8.426 8.179 -7.448 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.999 6.729 -7.433 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -10.669 5.864 -9.682 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -10.670 7.615 -9.750 1.00 0.00 H new ATOM 0 HG CYS A 87 -7.832 7.792 -9.994 1.00 0.00 H new ATOM 1359 N GLY A 88 -8.242 5.885 -6.378 1.00 0.00 N ATOM 1360 CA GLY A 88 -7.377 4.839 -5.798 1.00 0.00 C ATOM 1361 C GLY A 88 -6.457 4.158 -6.814 1.00 0.00 C ATOM 1362 O GLY A 88 -6.075 2.999 -6.630 1.00 0.00 O ATOM 0 H GLY A 88 -8.075 6.818 -6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.767 5.282 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.005 4.082 -5.327 1.00 0.00 H new ATOM 1366 N LYS A 89 -6.113 4.878 -7.899 1.00 0.00 N ATOM 1367 CA LYS A 89 -5.243 4.357 -8.982 1.00 0.00 C ATOM 1368 C LYS A 89 -3.828 4.937 -8.872 1.00 0.00 C ATOM 1369 O LYS A 89 -3.464 5.533 -7.861 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.855 4.669 -10.386 1.00 0.00 C ATOM 1371 CG LYS A 89 -7.033 3.757 -10.796 1.00 0.00 C ATOM 1372 CD LYS A 89 -7.421 3.920 -12.289 1.00 0.00 C ATOM 1373 CE LYS A 89 -8.446 2.871 -12.745 1.00 0.00 C ATOM 1374 NZ LYS A 89 -8.704 2.939 -14.205 1.00 0.00 N ATOM 0 H LYS A 89 -6.427 5.836 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.179 3.275 -8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.195 5.705 -10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.069 4.583 -11.137 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.767 2.717 -10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.898 3.984 -10.173 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.830 4.918 -12.448 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.525 3.841 -12.905 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.084 1.876 -12.487 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.381 3.020 -12.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.661 2.585 -14.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.625 3.925 -14.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.007 2.354 -14.708 1.00 0.00 H new ATOM 1388 N ARG A 90 -3.040 4.711 -9.931 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.670 5.237 -10.089 1.00 0.00 C ATOM 1390 C ARG A 90 -1.755 6.529 -10.958 1.00 0.00 C ATOM 1391 O ARG A 90 -2.774 6.761 -11.630 1.00 0.00 O ATOM 1392 CB ARG A 90 -0.808 4.093 -10.760 1.00 0.00 C ATOM 1393 CG ARG A 90 0.714 4.048 -10.432 1.00 0.00 C ATOM 1394 CD ARG A 90 1.566 5.023 -11.261 1.00 0.00 C ATOM 1395 NE ARG A 90 3.004 4.736 -11.136 1.00 0.00 N ATOM 1396 CZ ARG A 90 3.965 5.162 -11.980 1.00 0.00 C ATOM 1397 NH1 ARG A 90 3.702 6.011 -12.963 1.00 0.00 N ATOM 1398 NH2 ARG A 90 5.208 4.739 -11.813 1.00 0.00 N ATOM 0 H ARG A 90 -3.341 4.144 -10.723 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.197 5.508 -9.145 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.241 3.135 -10.474 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.916 4.182 -11.841 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.853 4.271 -9.374 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.080 3.034 -10.595 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.273 4.961 -12.309 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.370 6.044 -10.935 1.00 0.00 H new ATOM 0 HE ARG A 90 3.299 4.166 -10.343 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.752 6.359 -13.096 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.449 6.316 -13.587 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.430 4.097 -11.052 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.943 5.055 -12.445 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.732 7.407 -10.896 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.633 8.576 -11.814 1.00 0.00 C ATOM 1414 C ILE A 91 0.285 8.211 -13.001 1.00 0.00 C ATOM 1415 O ILE A 91 1.376 7.687 -12.782 1.00 0.00 O ATOM 1416 CB ILE A 91 -0.036 9.873 -11.128 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.726 10.219 -9.772 1.00 0.00 C ATOM 1418 CG2 ILE A 91 -0.137 11.079 -12.097 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.097 10.836 -9.876 1.00 0.00 C ATOM 0 H ILE A 91 0.035 7.335 -10.227 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.651 8.804 -12.130 1.00 0.00 H new ATOM 0 HB ILE A 91 1.009 9.659 -10.905 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.802 9.306 -9.181 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.081 10.903 -9.221 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.276 11.967 -11.617 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.425 10.863 -13.006 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.182 11.256 -12.350 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.483 11.036 -8.876 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.034 11.770 -10.434 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.767 10.149 -10.393 1.00 0.00 H new ATOM 1431 N SER A 92 -0.142 8.540 -14.227 1.00 0.00 N ATOM 1432 CA SER A 92 0.648 8.306 -15.457 1.00 0.00 C ATOM 1433 C SER A 92 1.974 9.101 -15.403 1.00 0.00 C ATOM 1434 O SER A 92 1.989 10.211 -14.869 1.00 0.00 O ATOM 1435 CB SER A 92 -0.189 8.739 -16.679 1.00 0.00 C ATOM 1436 OG SER A 92 -1.454 8.098 -16.691 1.00 0.00 O ATOM 0 H SER A 92 -1.047 8.978 -14.401 1.00 0.00 H new ATOM 0 HA SER A 92 0.891 7.247 -15.539 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.327 9.820 -16.663 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.351 8.500 -17.595 1.00 0.00 H new ATOM 0 HG SER A 92 -1.963 8.393 -17.475 1.00 0.00 H new ATOM 1442 N GLU A 93 3.079 8.533 -15.935 1.00 0.00 N ATOM 1443 CA GLU A 93 4.395 9.213 -15.942 1.00 0.00 C ATOM 1444 C GLU A 93 4.359 10.465 -16.848 1.00 0.00 C ATOM 1445 O GLU A 93 4.957 11.491 -16.511 1.00 0.00 O ATOM 1446 CB GLU A 93 5.538 8.268 -16.388 1.00 0.00 C ATOM 1447 CG GLU A 93 6.939 8.923 -16.312 1.00 0.00 C ATOM 1448 CD GLU A 93 8.065 8.045 -16.866 1.00 0.00 C ATOM 1449 OE1 GLU A 93 8.320 8.093 -18.093 1.00 0.00 O ATOM 1450 OE2 GLU A 93 8.707 7.312 -16.086 1.00 0.00 O ATOM 0 H GLU A 93 3.087 7.608 -16.364 1.00 0.00 H new ATOM 0 HA GLU A 93 4.600 9.519 -14.916 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.527 7.376 -15.762 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.352 7.942 -17.411 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.920 9.863 -16.863 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.159 9.167 -15.273 1.00 0.00 H new ATOM 1457 N ASP A 94 3.641 10.354 -17.989 1.00 0.00 N ATOM 1458 CA ASP A 94 3.373 11.494 -18.903 1.00 0.00 C ATOM 1459 C ASP A 94 2.655 12.630 -18.161 1.00 0.00 C ATOM 1460 O ASP A 94 2.945 13.808 -18.375 1.00 0.00 O ATOM 1461 CB ASP A 94 2.514 11.054 -20.122 1.00 0.00 C ATOM 1462 CG ASP A 94 3.279 10.160 -21.109 1.00 0.00 C ATOM 1463 OD1 ASP A 94 4.019 10.696 -21.956 1.00 0.00 O ATOM 1464 OD2 ASP A 94 3.157 8.918 -21.039 1.00 0.00 O ATOM 0 H ASP A 94 3.231 9.475 -18.304 1.00 0.00 H new ATOM 0 HA ASP A 94 4.338 11.851 -19.264 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.634 10.519 -19.764 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.157 11.941 -20.646 1.00 0.00 H new ATOM 1469 N ARG A 95 1.710 12.237 -17.291 1.00 0.00 N ATOM 1470 CA ARG A 95 0.958 13.158 -16.431 1.00 0.00 C ATOM 1471 C ARG A 95 1.895 13.816 -15.398 1.00 0.00 C ATOM 1472 O ARG A 95 1.817 15.018 -15.183 1.00 0.00 O ATOM 1473 CB ARG A 95 -0.206 12.397 -15.725 1.00 0.00 C ATOM 1474 CG ARG A 95 -1.070 13.251 -14.773 1.00 0.00 C ATOM 1475 CD ARG A 95 -2.021 14.211 -15.498 1.00 0.00 C ATOM 1476 NE ARG A 95 -2.672 15.125 -14.548 1.00 0.00 N ATOM 1477 CZ ARG A 95 -3.181 16.326 -14.851 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -3.203 16.773 -16.103 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -3.678 17.075 -13.886 1.00 0.00 N ATOM 0 H ARG A 95 1.446 11.260 -17.166 1.00 0.00 H new ATOM 0 HA ARG A 95 0.529 13.949 -17.047 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.853 11.967 -16.489 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.215 11.566 -15.160 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.654 12.589 -14.134 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.414 13.827 -14.120 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.467 14.786 -16.240 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.778 13.641 -16.037 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.742 14.819 -13.578 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.827 16.198 -16.857 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.596 17.691 -16.310 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.671 16.737 -12.924 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.069 17.992 -14.102 1.00 0.00 H new ATOM 1493 N LEU A 96 2.804 13.011 -14.810 1.00 0.00 N ATOM 1494 CA LEU A 96 3.738 13.459 -13.746 1.00 0.00 C ATOM 1495 C LEU A 96 4.806 14.443 -14.269 1.00 0.00 C ATOM 1496 O LEU A 96 5.189 15.374 -13.567 1.00 0.00 O ATOM 1497 CB LEU A 96 4.440 12.234 -13.089 1.00 0.00 C ATOM 1498 CG LEU A 96 3.542 11.340 -12.180 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.280 10.058 -11.728 1.00 0.00 C ATOM 1500 CD2 LEU A 96 3.011 12.141 -10.965 1.00 0.00 C ATOM 0 H LEU A 96 2.914 12.028 -15.058 1.00 0.00 H new ATOM 0 HA LEU A 96 3.137 13.986 -13.005 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.856 11.611 -13.881 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.279 12.596 -12.494 1.00 0.00 H new ATOM 0 HG LEU A 96 2.685 11.025 -12.775 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.621 9.462 -11.097 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.568 9.476 -12.604 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.172 10.331 -11.165 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.388 11.494 -10.347 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.851 12.506 -10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.420 12.986 -11.317 1.00 0.00 H new ATOM 1512 N LYS A 97 5.304 14.207 -15.489 1.00 0.00 N ATOM 1513 CA LYS A 97 6.378 15.034 -16.080 1.00 0.00 C ATOM 1514 C LYS A 97 5.801 16.351 -16.622 1.00 0.00 C ATOM 1515 O LYS A 97 6.468 17.392 -16.587 1.00 0.00 O ATOM 1516 CB LYS A 97 7.155 14.235 -17.170 1.00 0.00 C ATOM 1517 CG LYS A 97 6.376 13.946 -18.478 1.00 0.00 C ATOM 1518 CD LYS A 97 7.143 12.997 -19.439 1.00 0.00 C ATOM 1519 CE LYS A 97 7.404 11.613 -18.827 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.201 10.727 -19.716 1.00 0.00 N ATOM 0 H LYS A 97 4.983 13.449 -16.092 1.00 0.00 H new ATOM 0 HA LYS A 97 7.097 15.290 -15.302 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.060 14.788 -17.423 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.472 13.285 -16.740 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.411 13.503 -18.230 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.173 14.887 -18.990 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.571 12.880 -20.360 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.094 13.454 -19.711 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.928 11.734 -17.879 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.450 11.134 -18.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.302 9.791 -19.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.717 10.627 -20.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.142 11.142 -19.867 1.00 0.00 H new ATOM 1534 N ALA A 98 4.541 16.287 -17.099 1.00 0.00 N ATOM 1535 CA ALA A 98 3.796 17.461 -17.586 1.00 0.00 C ATOM 1536 C ALA A 98 3.346 18.347 -16.411 1.00 0.00 C ATOM 1537 O ALA A 98 3.372 19.577 -16.500 1.00 0.00 O ATOM 1538 CB ALA A 98 2.586 16.999 -18.414 1.00 0.00 C ATOM 0 H ALA A 98 4.012 15.417 -17.156 1.00 0.00 H new ATOM 0 HA ALA A 98 4.452 18.057 -18.221 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.037 17.870 -18.773 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.930 16.411 -19.265 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.931 16.388 -17.792 1.00 0.00 H new ATOM 1544 N VAL A 99 2.948 17.689 -15.312 1.00 0.00 N ATOM 1545 CA VAL A 99 2.453 18.329 -14.085 1.00 0.00 C ATOM 1546 C VAL A 99 2.679 17.366 -12.889 1.00 0.00 C ATOM 1547 O VAL A 99 1.945 16.399 -12.730 1.00 0.00 O ATOM 1548 CB VAL A 99 0.930 18.764 -14.216 1.00 0.00 C ATOM 1549 CG1 VAL A 99 0.056 17.664 -14.863 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.341 19.215 -12.856 1.00 0.00 C ATOM 0 H VAL A 99 2.962 16.671 -15.251 1.00 0.00 H new ATOM 0 HA VAL A 99 3.012 19.248 -13.913 1.00 0.00 H new ATOM 0 HB VAL A 99 0.914 19.623 -14.887 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.975 18.011 -14.930 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.430 17.443 -15.863 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.097 16.761 -14.253 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.702 19.504 -12.989 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.401 18.393 -12.143 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.908 20.066 -12.478 1.00 0.00 H new ATOM 1560 N PRO A 100 3.763 17.566 -12.074 1.00 0.00 N ATOM 1561 CA PRO A 100 4.018 16.735 -10.867 1.00 0.00 C ATOM 1562 C PRO A 100 3.054 17.045 -9.701 1.00 0.00 C ATOM 1563 O PRO A 100 2.934 16.251 -8.762 1.00 0.00 O ATOM 1564 CB PRO A 100 5.492 17.062 -10.510 1.00 0.00 C ATOM 1565 CG PRO A 100 5.748 18.423 -11.095 1.00 0.00 C ATOM 1566 CD PRO A 100 4.847 18.555 -12.308 1.00 0.00 C ATOM 0 HA PRO A 100 3.849 15.675 -11.057 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.645 17.062 -9.431 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.172 16.320 -10.928 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.532 19.204 -10.366 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.795 18.532 -11.378 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.449 19.566 -12.399 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.388 18.341 -13.230 1.00 0.00 H new ATOM 1574 N TYR A 101 2.360 18.199 -9.780 1.00 0.00 N ATOM 1575 CA TYR A 101 1.392 18.632 -8.757 1.00 0.00 C ATOM 1576 C TYR A 101 -0.011 18.206 -9.177 1.00 0.00 C ATOM 1577 O TYR A 101 -0.885 19.026 -9.489 1.00 0.00 O ATOM 1578 CB TYR A 101 1.494 20.166 -8.479 1.00 0.00 C ATOM 1579 CG TYR A 101 1.495 21.102 -9.705 1.00 0.00 C ATOM 1580 CD1 TYR A 101 2.674 21.372 -10.412 1.00 0.00 C ATOM 1581 CD2 TYR A 101 0.324 21.737 -10.138 1.00 0.00 C ATOM 1582 CE1 TYR A 101 2.673 22.219 -11.505 1.00 0.00 C ATOM 1583 CE2 TYR A 101 0.324 22.582 -11.224 1.00 0.00 C ATOM 1584 CZ TYR A 101 1.496 22.825 -11.901 1.00 0.00 C ATOM 1585 OH TYR A 101 1.490 23.683 -12.975 1.00 0.00 O ATOM 0 H TYR A 101 2.456 18.855 -10.555 1.00 0.00 H new ATOM 0 HA TYR A 101 1.628 18.144 -7.811 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.660 20.450 -7.837 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.408 20.348 -7.914 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.599 20.911 -10.098 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.600 21.559 -9.607 1.00 0.00 H new ATOM 0 HE1 TYR A 101 3.588 22.406 -12.047 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.594 23.053 -11.544 1.00 0.00 H new ATOM 0 HH TYR A 101 1.071 24.530 -12.715 1.00 0.00 H new ATOM 1595 N THR A 102 -0.212 16.889 -9.239 1.00 0.00 N ATOM 1596 CA THR A 102 -1.484 16.318 -9.644 1.00 0.00 C ATOM 1597 C THR A 102 -1.867 15.106 -8.741 1.00 0.00 C ATOM 1598 O THR A 102 -1.233 14.043 -8.787 1.00 0.00 O ATOM 1599 CB THR A 102 -1.463 15.957 -11.171 1.00 0.00 C ATOM 1600 OG1 THR A 102 -2.766 15.538 -11.584 1.00 0.00 O ATOM 1601 CG2 THR A 102 -0.426 14.874 -11.531 1.00 0.00 C ATOM 0 H THR A 102 0.502 16.197 -9.010 1.00 0.00 H new ATOM 0 HA THR A 102 -2.266 17.064 -9.504 1.00 0.00 H new ATOM 0 HB THR A 102 -1.165 16.860 -11.703 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.824 14.561 -11.540 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.466 14.674 -12.602 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.572 15.222 -11.264 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.650 13.959 -10.982 1.00 0.00 H new ATOM 1609 N PRO A 103 -2.897 15.267 -7.850 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.500 14.130 -7.107 1.00 0.00 C ATOM 1611 C PRO A 103 -4.445 13.282 -8.004 1.00 0.00 C ATOM 1612 O PRO A 103 -4.940 12.223 -7.588 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.277 14.840 -5.965 1.00 0.00 C ATOM 1614 CG PRO A 103 -4.648 16.178 -6.532 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.506 16.573 -7.451 1.00 0.00 C ATOM 0 HA PRO A 103 -2.759 13.416 -6.747 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.162 14.273 -5.676 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.660 14.945 -5.072 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.589 16.123 -7.080 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.784 16.914 -5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -3.865 17.128 -8.318 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -2.785 17.211 -6.940 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.705 13.783 -9.228 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.597 13.144 -10.207 1.00 0.00 C ATOM 1625 C PHE A 104 -4.755 12.476 -11.314 1.00 0.00 C ATOM 1626 O PHE A 104 -3.752 13.034 -11.752 1.00 0.00 O ATOM 1627 CB PHE A 104 -6.549 14.209 -10.830 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.262 15.123 -9.822 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -7.659 14.654 -8.563 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -7.500 16.464 -10.121 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.289 15.484 -7.660 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.131 17.295 -9.214 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.515 16.808 -7.978 1.00 0.00 C ATOM 0 H PHE A 104 -4.295 14.654 -9.565 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.197 12.384 -9.706 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.973 14.831 -11.515 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.303 13.694 -11.425 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.468 13.625 -8.295 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.187 16.860 -11.076 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.606 15.098 -6.703 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.324 18.326 -9.471 1.00 0.00 H new ATOM 0 HZ PHE A 104 -8.991 17.462 -7.263 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.160 11.281 -11.771 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.492 10.605 -12.910 1.00 0.00 C ATOM 1645 C CYS A 105 -4.970 11.262 -14.213 1.00 0.00 C ATOM 1646 O CYS A 105 -5.901 12.075 -14.169 1.00 0.00 O ATOM 1647 CB CYS A 105 -4.741 9.067 -12.880 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.474 8.517 -13.064 1.00 0.00 S ATOM 0 H CYS A 105 -5.942 10.759 -11.376 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.411 10.726 -12.838 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.152 8.611 -13.676 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.358 8.678 -11.937 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.261 9.351 -12.452 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.324 10.932 -15.351 1.00 0.00 N ATOM 1654 CA GLN A 106 -4.652 11.517 -16.684 1.00 0.00 C ATOM 1655 C GLN A 106 -6.162 11.375 -16.998 1.00 0.00 C ATOM 1656 O GLN A 106 -6.793 12.285 -17.543 1.00 0.00 O ATOM 1657 CB GLN A 106 -3.795 10.828 -17.784 1.00 0.00 C ATOM 1658 CG GLN A 106 -4.043 11.357 -19.206 1.00 0.00 C ATOM 1659 CD GLN A 106 -3.360 10.520 -20.281 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -3.944 9.560 -20.790 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -2.128 10.875 -20.642 1.00 0.00 N ATOM 0 H GLN A 106 -3.561 10.255 -15.380 1.00 0.00 H new ATOM 0 HA GLN A 106 -4.418 12.581 -16.665 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.741 10.957 -17.540 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.997 9.757 -17.767 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.116 11.379 -19.397 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.686 12.385 -19.273 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.677 11.675 -20.198 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.635 10.347 -21.362 1.00 0.00 H new ATOM 1670 N GLU A 107 -6.713 10.226 -16.586 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.151 9.909 -16.676 1.00 0.00 C ATOM 1672 C GLU A 107 -9.006 10.955 -15.921 1.00 0.00 C ATOM 1673 O GLU A 107 -9.901 11.577 -16.499 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.395 8.515 -16.045 1.00 0.00 C ATOM 1675 CG GLU A 107 -7.561 7.352 -16.638 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.486 6.143 -15.685 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -8.543 5.570 -15.364 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.374 5.796 -15.214 1.00 0.00 O ATOM 0 H GLU A 107 -6.164 9.473 -16.172 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.442 9.919 -17.726 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.187 8.579 -14.977 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.452 8.270 -16.150 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.000 7.039 -17.585 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.553 7.704 -16.855 1.00 0.00 H new ATOM 1685 N CYS A 108 -8.669 11.154 -14.622 1.00 0.00 N ATOM 1686 CA CYS A 108 -9.433 12.029 -13.706 1.00 0.00 C ATOM 1687 C CYS A 108 -9.264 13.509 -14.075 1.00 0.00 C ATOM 1688 O CYS A 108 -10.150 14.310 -13.801 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.020 11.783 -12.237 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.517 10.163 -11.591 1.00 0.00 S ATOM 0 H CYS A 108 -7.861 10.712 -14.184 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.488 11.777 -13.813 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -7.937 11.879 -12.154 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.458 12.561 -11.612 1.00 0.00 H new ATOM 0 HG CYS A 108 -8.591 9.708 -10.801 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.120 13.841 -14.708 1.00 0.00 N ATOM 1696 CA ALA A 109 -7.839 15.185 -15.240 1.00 0.00 C ATOM 1697 C ALA A 109 -8.807 15.513 -16.389 1.00 0.00 C ATOM 1698 O ALA A 109 -9.379 16.601 -16.441 1.00 0.00 O ATOM 1699 CB ALA A 109 -6.377 15.263 -15.716 1.00 0.00 C ATOM 0 H ALA A 109 -7.362 13.177 -14.864 1.00 0.00 H new ATOM 0 HA ALA A 109 -7.986 15.922 -14.450 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -6.175 16.260 -16.109 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -5.710 15.061 -14.878 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.209 14.524 -16.499 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.006 14.526 -17.276 1.00 0.00 N ATOM 1706 CA ALA A 110 -9.930 14.635 -18.420 1.00 0.00 C ATOM 1707 C ALA A 110 -11.403 14.538 -17.967 1.00 0.00 C ATOM 1708 O ALA A 110 -12.305 14.966 -18.692 1.00 0.00 O ATOM 1709 CB ALA A 110 -9.608 13.543 -19.451 1.00 0.00 C ATOM 0 H ALA A 110 -8.530 13.626 -17.221 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.794 15.614 -18.880 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.293 13.626 -20.295 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.583 13.665 -19.802 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.719 12.562 -18.989 1.00 0.00 H new ATOM 1715 N ALA A 111 -11.628 13.969 -16.761 1.00 0.00 N ATOM 1716 CA ALA A 111 -12.974 13.741 -16.189 1.00 0.00 C ATOM 1717 C ALA A 111 -13.416 14.879 -15.238 1.00 0.00 C ATOM 1718 O ALA A 111 -14.491 14.786 -14.637 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.006 12.387 -15.458 1.00 0.00 C ATOM 0 H ALA A 111 -10.873 13.652 -16.152 1.00 0.00 H new ATOM 0 HA ALA A 111 -13.684 13.730 -17.016 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -13.999 12.223 -15.039 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.773 11.588 -16.162 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.269 12.389 -14.655 1.00 0.00 H new