USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 684 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 Single : A 16 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0659) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 104:sc= 0.0167 USER MOD Single : A 26 ASN : amide:sc= -0.125 K(o=-0.12,f=-1.5) USER MOD Single : A 27 SER OG : rot -82:sc= 0.814 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -2.59 K(o=-2.6,f=-4.1) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 70 SER OG : rot 180:sc= -0.77 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.37) USER MOD Single : A 85 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.2) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -172:sc= 0 (180deg=-0.0475) USER MOD Single : A 101 LYS NZ :NH3+ -150:sc= -0.253 (180deg=-1.4!) USER MOD Single : A 102 THR OG1 : rot 144:sc= 1.06 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PRO A 12 6.698 15.833 4.086 1.00 0.00 N ATOM 118 CA PRO A 12 5.882 14.745 3.540 1.00 0.00 C ATOM 119 C PRO A 12 5.551 13.687 4.587 1.00 0.00 C ATOM 120 O PRO A 12 6.417 13.269 5.356 1.00 0.00 O ATOM 121 CB PRO A 12 6.769 14.152 2.443 1.00 0.00 C ATOM 122 CG PRO A 12 8.160 14.488 2.857 1.00 0.00 C ATOM 123 CD PRO A 12 8.073 15.815 3.559 1.00 0.00 C ATOM 0 HA PRO A 12 4.917 15.101 3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.630 13.074 2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.532 14.579 1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.566 13.722 3.518 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.821 14.546 1.993 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.810 15.896 4.358 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.252 16.644 2.874 1.00 0.00 H new ATOM 131 N ARG A 13 4.293 13.258 4.612 1.00 0.00 N ATOM 132 CA ARG A 13 3.849 12.249 5.566 1.00 0.00 C ATOM 133 C ARG A 13 2.778 11.353 4.950 1.00 0.00 C ATOM 134 O ARG A 13 1.649 11.786 4.720 1.00 0.00 O ATOM 135 CB ARG A 13 3.304 12.917 6.830 1.00 0.00 C ATOM 136 CG ARG A 13 3.517 12.097 8.092 1.00 0.00 C ATOM 137 CD ARG A 13 2.500 10.972 8.204 1.00 0.00 C ATOM 138 NE ARG A 13 1.284 11.400 8.889 1.00 0.00 N ATOM 139 CZ ARG A 13 1.200 11.564 10.205 1.00 0.00 C ATOM 140 NH1 ARG A 13 2.257 11.338 10.973 1.00 0.00 N ATOM 141 NH2 ARG A 13 0.058 11.956 10.755 1.00 0.00 N ATOM 0 H ARG A 13 3.564 13.593 3.983 1.00 0.00 H new ATOM 0 HA ARG A 13 4.708 11.632 5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.783 13.888 6.953 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.237 13.101 6.702 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.524 11.680 8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.442 12.745 8.965 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.247 10.612 7.207 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.944 10.134 8.742 1.00 0.00 H new ATOM 0 HE ARG A 13 0.453 11.583 8.327 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.137 11.038 10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.190 11.465 11.983 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.757 12.132 10.168 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.005 12.081 11.765 1.00 0.00 H new ATOM 155 N PHE A 14 3.141 10.103 4.685 1.00 0.00 N ATOM 156 CA PHE A 14 2.213 9.146 4.095 1.00 0.00 C ATOM 157 C PHE A 14 0.859 9.198 4.795 1.00 0.00 C ATOM 158 O PHE A 14 0.726 9.789 5.866 1.00 0.00 O ATOM 159 CB PHE A 14 2.787 7.730 4.175 1.00 0.00 C ATOM 160 CG PHE A 14 3.885 7.470 3.184 1.00 0.00 C ATOM 161 CD1 PHE A 14 3.637 7.536 1.822 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.166 7.162 3.613 1.00 0.00 C ATOM 163 CE1 PHE A 14 4.645 7.298 0.907 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.178 6.922 2.703 1.00 0.00 C ATOM 165 CZ PHE A 14 5.918 6.991 1.348 1.00 0.00 C ATOM 0 H PHE A 14 4.072 9.729 4.870 1.00 0.00 H new ATOM 0 HA PHE A 14 2.071 9.414 3.048 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.169 7.558 5.181 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.984 7.011 4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.644 7.776 1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.376 7.109 4.671 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.438 7.352 -0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.172 6.681 3.051 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.708 6.805 0.635 1.00 0.00 H new ATOM 175 N GLU A 15 -0.143 8.576 4.181 1.00 0.00 N ATOM 176 CA GLU A 15 -1.488 8.553 4.746 1.00 0.00 C ATOM 177 C GLU A 15 -1.548 7.646 5.971 1.00 0.00 C ATOM 178 O GLU A 15 -2.106 8.015 7.005 1.00 0.00 O ATOM 179 CB GLU A 15 -2.497 8.081 3.697 1.00 0.00 C ATOM 180 CG GLU A 15 -2.409 8.838 2.383 1.00 0.00 C ATOM 181 CD GLU A 15 -3.656 8.680 1.534 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.496 7.818 1.868 1.00 0.00 O ATOM 183 OE2 GLU A 15 -3.791 9.418 0.536 1.00 0.00 O ATOM 0 H GLU A 15 -0.049 8.082 3.294 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.743 9.567 5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.340 7.019 3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.504 8.187 4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.245 9.896 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.544 8.484 1.821 1.00 0.00 H new ATOM 190 N LYS A 16 -0.970 6.456 5.848 1.00 0.00 N ATOM 191 CA LYS A 16 -0.957 5.494 6.943 1.00 0.00 C ATOM 192 C LYS A 16 0.471 5.202 7.393 1.00 0.00 C ATOM 193 O LYS A 16 1.387 5.130 6.574 1.00 0.00 O ATOM 194 CB LYS A 16 -1.645 4.195 6.518 1.00 0.00 C ATOM 195 CG LYS A 16 -2.984 4.411 5.836 1.00 0.00 C ATOM 196 CD LYS A 16 -3.442 3.165 5.097 1.00 0.00 C ATOM 197 CE LYS A 16 -2.912 3.135 3.672 1.00 0.00 C ATOM 198 NZ LYS A 16 -3.638 4.091 2.790 1.00 0.00 N ATOM 0 H LYS A 16 -0.504 6.135 5.000 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.502 5.928 7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.986 3.649 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.791 3.567 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.731 4.689 6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.906 5.242 5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.102 2.278 5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.531 3.130 5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.849 3.378 3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.007 2.126 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.394 3.901 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.663 3.976 2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.364 5.064 3.033 1.00 0.00 H new ATOM 212 N SER A 17 0.653 5.032 8.699 1.00 0.00 N ATOM 213 CA SER A 17 1.970 4.750 9.257 1.00 0.00 C ATOM 214 C SER A 17 2.487 3.399 8.772 1.00 0.00 C ATOM 215 O SER A 17 3.682 3.230 8.529 1.00 0.00 O ATOM 216 CB SER A 17 1.914 4.769 10.786 1.00 0.00 C ATOM 217 OG SER A 17 1.630 6.070 11.270 1.00 0.00 O ATOM 0 H SER A 17 -0.095 5.085 9.390 1.00 0.00 H new ATOM 0 HA SER A 17 2.656 5.526 8.916 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.150 4.074 11.134 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.866 4.426 11.192 1.00 0.00 H new ATOM 0 HG SER A 17 1.598 6.055 12.249 1.00 0.00 H new ATOM 223 N VAL A 18 1.578 2.439 8.634 1.00 0.00 N ATOM 224 CA VAL A 18 1.940 1.103 8.177 1.00 0.00 C ATOM 225 C VAL A 18 0.967 0.602 7.117 1.00 0.00 C ATOM 226 O VAL A 18 -0.129 0.138 7.434 1.00 0.00 O ATOM 227 CB VAL A 18 1.971 0.100 9.346 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.230 -1.309 8.833 1.00 0.00 C ATOM 229 CG2 VAL A 18 3.021 0.506 10.369 1.00 0.00 C ATOM 0 H VAL A 18 0.585 2.562 8.832 1.00 0.00 H new ATOM 0 HA VAL A 18 2.938 1.176 7.744 1.00 0.00 H new ATOM 0 HB VAL A 18 0.998 0.109 9.836 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.249 -2.004 9.672 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.438 -1.596 8.142 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.190 -1.338 8.317 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.029 -0.214 11.188 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.002 0.527 9.895 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.785 1.496 10.759 1.00 0.00 H new ATOM 239 N TYR A 19 1.374 0.698 5.856 1.00 0.00 N ATOM 240 CA TYR A 19 0.536 0.256 4.747 1.00 0.00 C ATOM 241 C TYR A 19 0.352 -1.259 4.773 1.00 0.00 C ATOM 242 O TYR A 19 1.216 -2.007 4.317 1.00 0.00 O ATOM 243 CB TYR A 19 1.152 0.683 3.414 1.00 0.00 C ATOM 244 CG TYR A 19 0.885 2.129 3.059 1.00 0.00 C ATOM 245 CD1 TYR A 19 1.071 3.139 3.994 1.00 0.00 C ATOM 246 CD2 TYR A 19 0.448 2.483 1.788 1.00 0.00 C ATOM 247 CE1 TYR A 19 0.828 4.461 3.674 1.00 0.00 C ATOM 248 CE2 TYR A 19 0.204 3.803 1.460 1.00 0.00 C ATOM 249 CZ TYR A 19 0.395 4.788 2.406 1.00 0.00 C ATOM 250 OH TYR A 19 0.152 6.103 2.083 1.00 0.00 O ATOM 0 H TYR A 19 2.278 1.078 5.576 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.442 0.724 4.855 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.229 0.520 3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.761 0.045 2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.411 2.887 4.988 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.297 1.714 1.045 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.976 5.234 4.413 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.135 4.062 0.468 1.00 0.00 H new ATOM 0 HH TYR A 19 0.886 6.445 1.531 1.00 0.00 H new ATOM 260 N GLU A 20 -0.780 -1.702 5.310 1.00 0.00 N ATOM 261 CA GLU A 20 -1.078 -3.127 5.396 1.00 0.00 C ATOM 262 C GLU A 20 -2.024 -3.553 4.277 1.00 0.00 C ATOM 263 O GLU A 20 -3.220 -3.265 4.318 1.00 0.00 O ATOM 264 CB GLU A 20 -1.695 -3.460 6.755 1.00 0.00 C ATOM 265 CG GLU A 20 -1.413 -4.879 7.220 1.00 0.00 C ATOM 266 CD GLU A 20 -1.524 -5.033 8.725 1.00 0.00 C ATOM 267 OE1 GLU A 20 -2.659 -5.175 9.225 1.00 0.00 O ATOM 268 OE2 GLU A 20 -0.474 -5.012 9.401 1.00 0.00 O ATOM 0 H GLU A 20 -1.506 -1.095 5.692 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.142 -3.675 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.314 -2.760 7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.774 -3.312 6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.112 -5.561 6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.412 -5.169 6.902 1.00 0.00 H new ATOM 275 N ALA A 21 -1.479 -4.240 3.279 1.00 0.00 N ATOM 276 CA ALA A 21 -2.273 -4.708 2.149 1.00 0.00 C ATOM 277 C ALA A 21 -2.253 -6.230 2.057 1.00 0.00 C ATOM 278 O ALA A 21 -1.611 -6.902 2.864 1.00 0.00 O ATOM 279 CB ALA A 21 -1.764 -4.091 0.855 1.00 0.00 C ATOM 0 H ALA A 21 -0.490 -4.485 3.230 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.305 -4.394 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.366 -4.449 0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.838 -3.005 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.723 -4.376 0.701 1.00 0.00 H new ATOM 285 N ASP A 22 -2.959 -6.767 1.068 1.00 0.00 N ATOM 286 CA ASP A 22 -3.022 -8.210 0.870 1.00 0.00 C ATOM 287 C ASP A 22 -2.555 -8.587 -0.532 1.00 0.00 C ATOM 288 O ASP A 22 -3.184 -8.222 -1.527 1.00 0.00 O ATOM 289 CB ASP A 22 -4.447 -8.716 1.099 1.00 0.00 C ATOM 290 CG ASP A 22 -5.470 -7.962 0.273 1.00 0.00 C ATOM 291 OD1 ASP A 22 -5.982 -6.932 0.758 1.00 0.00 O ATOM 292 OD2 ASP A 22 -5.757 -8.400 -0.861 1.00 0.00 O ATOM 0 H ASP A 22 -3.496 -6.225 0.391 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.357 -8.680 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.496 -9.777 0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.697 -8.622 2.156 1.00 0.00 H new ATOM 297 N LEU A 23 -1.448 -9.317 -0.605 1.00 0.00 N ATOM 298 CA LEU A 23 -0.894 -9.743 -1.886 1.00 0.00 C ATOM 299 C LEU A 23 -1.120 -11.235 -2.108 1.00 0.00 C ATOM 300 O LEU A 23 -0.760 -12.059 -1.267 1.00 0.00 O ATOM 301 CB LEU A 23 0.601 -9.426 -1.949 1.00 0.00 C ATOM 302 CG LEU A 23 1.211 -9.343 -3.348 1.00 0.00 C ATOM 303 CD1 LEU A 23 1.544 -10.732 -3.870 1.00 0.00 C ATOM 304 CD2 LEU A 23 0.265 -8.626 -4.301 1.00 0.00 C ATOM 0 H LEU A 23 -0.916 -9.627 0.208 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.408 -9.195 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.772 -8.476 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.138 -10.189 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 23 2.136 -8.770 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.977 -10.652 -4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.259 -11.210 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.634 -11.331 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.716 -8.576 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.677 -9.172 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.078 -7.616 -3.936 1.00 0.00 H new ATOM 316 N ALA A 24 -1.716 -11.576 -3.246 1.00 0.00 N ATOM 317 CA ALA A 24 -1.986 -12.969 -3.580 1.00 0.00 C ATOM 318 C ALA A 24 -0.699 -13.708 -3.928 1.00 0.00 C ATOM 319 O ALA A 24 0.066 -13.270 -4.787 1.00 0.00 O ATOM 320 CB ALA A 24 -2.974 -13.053 -4.733 1.00 0.00 C ATOM 0 H ALA A 24 -2.021 -10.906 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.425 -13.449 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.166 -14.099 -4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.908 -12.568 -4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.557 -12.552 -5.607 1.00 0.00 H new ATOM 326 N GLU A 25 -0.466 -14.831 -3.256 1.00 0.00 N ATOM 327 CA GLU A 25 0.730 -15.630 -3.495 1.00 0.00 C ATOM 328 C GLU A 25 0.767 -16.138 -4.933 1.00 0.00 C ATOM 329 O GLU A 25 1.821 -16.517 -5.442 1.00 0.00 O ATOM 330 CB GLU A 25 0.784 -16.811 -2.523 1.00 0.00 C ATOM 331 CG GLU A 25 -0.058 -17.998 -2.961 1.00 0.00 C ATOM 332 CD GLU A 25 0.656 -18.882 -3.965 1.00 0.00 C ATOM 333 OE1 GLU A 25 1.868 -19.125 -3.784 1.00 0.00 O ATOM 334 OE2 GLU A 25 0.004 -19.330 -4.931 1.00 0.00 O ATOM 0 H GLU A 25 -1.089 -15.208 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 25 1.600 -14.994 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.820 -17.132 -2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.446 -16.479 -1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.326 -18.591 -2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.989 -17.637 -3.398 1.00 0.00 H new ATOM 341 N ASN A 26 -0.393 -16.143 -5.582 1.00 0.00 N ATOM 342 CA ASN A 26 -0.495 -16.606 -6.962 1.00 0.00 C ATOM 343 C ASN A 26 -0.550 -15.427 -7.928 1.00 0.00 C ATOM 344 O ASN A 26 -0.737 -15.606 -9.132 1.00 0.00 O ATOM 345 CB ASN A 26 -1.736 -17.483 -7.137 1.00 0.00 C ATOM 346 CG ASN A 26 -2.972 -16.673 -7.479 1.00 0.00 C ATOM 347 OD1 ASN A 26 -3.414 -15.833 -6.695 1.00 0.00 O ATOM 348 ND2 ASN A 26 -3.537 -16.923 -8.654 1.00 0.00 N ATOM 0 H ASN A 26 -1.275 -15.832 -5.175 1.00 0.00 H new ATOM 0 HA ASN A 26 0.393 -17.196 -7.188 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.554 -18.213 -7.926 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.914 -18.043 -6.219 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.371 -16.410 -8.938 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.137 -17.628 -9.273 1.00 0.00 H new ATOM 355 N SER A 27 -0.386 -14.221 -7.393 1.00 0.00 N ATOM 356 CA SER A 27 -0.421 -13.012 -8.207 1.00 0.00 C ATOM 357 C SER A 27 0.648 -13.058 -9.294 1.00 0.00 C ATOM 358 O SER A 27 1.791 -13.439 -9.040 1.00 0.00 O ATOM 359 CB SER A 27 -0.219 -11.775 -7.329 1.00 0.00 C ATOM 360 OG SER A 27 1.068 -11.775 -6.736 1.00 0.00 O ATOM 0 H SER A 27 -0.228 -14.056 -6.399 1.00 0.00 H new ATOM 0 HA SER A 27 -1.399 -12.954 -8.686 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.346 -10.874 -7.930 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.982 -11.749 -6.551 1.00 0.00 H new ATOM 0 HG SER A 27 1.061 -12.347 -5.940 1.00 0.00 H new ATOM 366 N ALA A 28 0.268 -12.668 -10.506 1.00 0.00 N ATOM 367 CA ALA A 28 1.193 -12.663 -11.632 1.00 0.00 C ATOM 368 C ALA A 28 2.164 -11.491 -11.539 1.00 0.00 C ATOM 369 O ALA A 28 1.964 -10.546 -10.775 1.00 0.00 O ATOM 370 CB ALA A 28 0.426 -12.613 -12.945 1.00 0.00 C ATOM 0 H ALA A 28 -0.675 -12.351 -10.733 1.00 0.00 H new ATOM 0 HA ALA A 28 1.773 -13.585 -11.598 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.130 -12.610 -13.777 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.222 -13.486 -13.021 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.180 -11.707 -12.978 1.00 0.00 H new ATOM 376 N PRO A 29 3.243 -11.550 -12.335 1.00 0.00 N ATOM 377 CA PRO A 29 4.266 -10.501 -12.360 1.00 0.00 C ATOM 378 C PRO A 29 3.755 -9.207 -12.985 1.00 0.00 C ATOM 379 O PRO A 29 3.741 -9.060 -14.206 1.00 0.00 O ATOM 380 CB PRO A 29 5.376 -11.109 -13.222 1.00 0.00 C ATOM 381 CG PRO A 29 4.681 -12.099 -14.091 1.00 0.00 C ATOM 382 CD PRO A 29 3.545 -12.645 -13.271 1.00 0.00 C ATOM 0 HA PRO A 29 4.590 -10.223 -11.357 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.879 -10.346 -13.815 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.138 -11.588 -12.607 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.313 -11.628 -15.002 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.360 -12.895 -14.396 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.684 -12.892 -13.892 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.831 -13.556 -12.745 1.00 0.00 H new ATOM 390 N GLY A 30 3.337 -8.271 -12.138 1.00 0.00 N ATOM 391 CA GLY A 30 2.831 -7.002 -12.627 1.00 0.00 C ATOM 392 C GLY A 30 1.561 -6.573 -11.919 1.00 0.00 C ATOM 393 O GLY A 30 1.106 -5.439 -12.075 1.00 0.00 O ATOM 0 H GLY A 30 3.340 -8.369 -11.123 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.594 -6.235 -12.495 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.639 -7.079 -13.697 1.00 0.00 H new ATOM 397 N THR A 31 0.983 -7.482 -11.140 1.00 0.00 N ATOM 398 CA THR A 31 -0.244 -7.193 -10.408 1.00 0.00 C ATOM 399 C THR A 31 -0.080 -5.962 -9.525 1.00 0.00 C ATOM 400 O THR A 31 0.818 -5.885 -8.686 1.00 0.00 O ATOM 401 CB THR A 31 -0.670 -8.387 -9.533 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.264 -9.404 -10.347 1.00 0.00 O ATOM 403 CG2 THR A 31 -1.656 -7.947 -8.461 1.00 0.00 C ATOM 0 H THR A 31 1.345 -8.425 -11.000 1.00 0.00 H new ATOM 0 HA THR A 31 -1.019 -7.002 -11.151 1.00 0.00 H new ATOM 0 HB THR A 31 0.219 -8.787 -9.045 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.530 -10.160 -9.783 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.943 -8.807 -7.855 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.190 -7.194 -7.825 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.543 -7.524 -8.934 1.00 0.00 H new ATOM 411 N PRO A 32 -0.968 -4.975 -9.714 1.00 0.00 N ATOM 412 CA PRO A 32 -0.943 -3.729 -8.942 1.00 0.00 C ATOM 413 C PRO A 32 -1.342 -3.941 -7.485 1.00 0.00 C ATOM 414 O PRO A 32 -2.456 -4.380 -7.195 1.00 0.00 O ATOM 415 CB PRO A 32 -1.972 -2.848 -9.655 1.00 0.00 C ATOM 416 CG PRO A 32 -2.901 -3.809 -10.313 1.00 0.00 C ATOM 417 CD PRO A 32 -2.065 -4.998 -10.696 1.00 0.00 C ATOM 0 HA PRO A 32 0.056 -3.295 -8.903 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.500 -2.206 -8.950 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.495 -2.194 -10.386 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.705 -4.099 -9.637 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.368 -3.362 -11.190 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.635 -5.925 -10.639 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.692 -4.915 -11.717 1.00 0.00 H new ATOM 425 N ILE A 33 -0.428 -3.627 -6.574 1.00 0.00 N ATOM 426 CA ILE A 33 -0.686 -3.783 -5.148 1.00 0.00 C ATOM 427 C ILE A 33 -1.377 -2.549 -4.577 1.00 0.00 C ATOM 428 O ILE A 33 -2.545 -2.601 -4.189 1.00 0.00 O ATOM 429 CB ILE A 33 0.615 -4.038 -4.365 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.362 -5.237 -4.952 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.310 -4.266 -2.892 1.00 0.00 C ATOM 432 CD1 ILE A 33 2.816 -5.304 -4.538 1.00 0.00 C ATOM 0 H ILE A 33 0.498 -3.263 -6.798 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.341 -4.647 -5.038 1.00 0.00 H new ATOM 0 HB ILE A 33 1.253 -3.159 -4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.861 -6.154 -4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.304 -5.194 -6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.239 -4.445 -2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.184 -3.385 -2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.344 -5.131 -2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.283 -6.179 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.331 -4.403 -4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.882 -5.378 -3.453 1.00 0.00 H new ATOM 444 N LEU A 34 -0.648 -1.439 -4.529 1.00 0.00 N ATOM 445 CA LEU A 34 -1.190 -0.190 -4.007 1.00 0.00 C ATOM 446 C LEU A 34 -0.350 1.000 -4.459 1.00 0.00 C ATOM 447 O LEU A 34 0.826 0.850 -4.792 1.00 0.00 O ATOM 448 CB LEU A 34 -1.249 -0.235 -2.479 1.00 0.00 C ATOM 449 CG LEU A 34 0.072 -0.519 -1.764 1.00 0.00 C ATOM 450 CD1 LEU A 34 0.869 0.764 -1.586 1.00 0.00 C ATOM 451 CD2 LEU A 34 -0.181 -1.183 -0.418 1.00 0.00 C ATOM 0 H LEU A 34 0.320 -1.379 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.199 -0.069 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.634 0.720 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.969 -0.999 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 34 0.656 -1.203 -2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.806 0.542 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.082 1.198 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.291 1.472 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.771 -1.378 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.785 -0.524 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.710 -2.124 -0.570 1.00 0.00 H new ATOM 463 N GLN A 35 -0.960 2.181 -4.466 1.00 0.00 N ATOM 464 CA GLN A 35 -0.266 3.396 -4.876 1.00 0.00 C ATOM 465 C GLN A 35 0.018 4.292 -3.675 1.00 0.00 C ATOM 466 O GLN A 35 -0.903 4.767 -3.009 1.00 0.00 O ATOM 467 CB GLN A 35 -1.096 4.158 -5.910 1.00 0.00 C ATOM 468 CG GLN A 35 -0.361 5.332 -6.536 1.00 0.00 C ATOM 469 CD GLN A 35 -1.279 6.240 -7.330 1.00 0.00 C ATOM 470 OE1 GLN A 35 -2.499 6.077 -7.313 1.00 0.00 O ATOM 471 NE2 GLN A 35 -0.695 7.205 -8.031 1.00 0.00 N ATOM 0 H GLN A 35 -1.933 2.322 -4.193 1.00 0.00 H new ATOM 0 HA GLN A 35 0.685 3.108 -5.324 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.401 3.469 -6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.007 4.522 -5.435 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.126 5.911 -5.751 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.426 4.956 -7.190 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.320 7.303 -8.016 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.262 7.848 -8.584 1.00 0.00 H new ATOM 480 N LEU A 36 1.298 4.519 -3.402 1.00 0.00 N ATOM 481 CA LEU A 36 1.705 5.358 -2.280 1.00 0.00 C ATOM 482 C LEU A 36 1.181 6.780 -2.446 1.00 0.00 C ATOM 483 O LEU A 36 1.430 7.430 -3.462 1.00 0.00 O ATOM 484 CB LEU A 36 3.230 5.375 -2.157 1.00 0.00 C ATOM 485 CG LEU A 36 3.887 4.051 -1.767 1.00 0.00 C ATOM 486 CD1 LEU A 36 5.397 4.207 -1.687 1.00 0.00 C ATOM 487 CD2 LEU A 36 3.330 3.549 -0.442 1.00 0.00 C ATOM 0 H LEU A 36 2.072 4.134 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 36 1.278 4.937 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.648 5.698 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.506 6.126 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 36 3.659 3.314 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.847 3.254 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.782 4.520 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.646 4.959 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.809 2.606 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.527 4.285 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.255 3.397 -0.534 1.00 0.00 H new ATOM 499 N ARG A 37 0.455 7.259 -1.441 1.00 0.00 N ATOM 500 CA ARG A 37 -0.104 8.605 -1.475 1.00 0.00 C ATOM 501 C ARG A 37 0.388 9.428 -0.288 1.00 0.00 C ATOM 502 O ARG A 37 0.720 8.882 0.763 1.00 0.00 O ATOM 503 CB ARG A 37 -1.632 8.546 -1.470 1.00 0.00 C ATOM 504 CG ARG A 37 -2.243 8.449 -2.858 1.00 0.00 C ATOM 505 CD ARG A 37 -3.675 7.941 -2.802 1.00 0.00 C ATOM 506 NE ARG A 37 -4.601 8.966 -2.327 1.00 0.00 N ATOM 507 CZ ARG A 37 -5.904 8.762 -2.167 1.00 0.00 C ATOM 508 NH1 ARG A 37 -6.432 7.577 -2.442 1.00 0.00 N ATOM 509 NH2 ARG A 37 -6.682 9.744 -1.730 1.00 0.00 N ATOM 0 H ARG A 37 0.240 6.735 -0.593 1.00 0.00 H new ATOM 0 HA ARG A 37 0.231 9.087 -2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.952 7.687 -0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.020 9.435 -0.973 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.222 9.429 -3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.643 7.781 -3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.981 7.608 -3.794 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.726 7.073 -2.144 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.227 9.889 -2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.837 6.819 -2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.433 7.423 -2.318 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.280 10.657 -1.517 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.682 9.586 -1.608 1.00 0.00 H new ATOM 697 N TYR A 51 8.651 8.218 -4.368 1.00 0.00 N ATOM 698 CA TYR A 51 8.437 6.968 -3.649 1.00 0.00 C ATOM 699 C TYR A 51 9.502 5.939 -4.016 1.00 0.00 C ATOM 700 O TYR A 51 9.478 5.365 -5.105 1.00 0.00 O ATOM 701 CB TYR A 51 7.046 6.411 -3.955 1.00 0.00 C ATOM 702 CG TYR A 51 5.988 7.479 -4.117 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.860 8.182 -5.309 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.117 7.785 -3.079 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.895 9.159 -5.462 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.148 8.760 -3.224 1.00 0.00 C ATOM 707 CZ TYR A 51 4.041 9.444 -4.416 1.00 0.00 C ATOM 708 OH TYR A 51 3.079 10.416 -4.564 1.00 0.00 O ATOM 0 HA TYR A 51 8.511 7.175 -2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.094 5.818 -4.868 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.749 5.736 -3.152 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.526 7.961 -6.130 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.198 7.252 -2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.810 9.697 -6.395 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.478 8.985 -2.407 1.00 0.00 H new ATOM 0 HH TYR A 51 2.561 10.492 -3.736 1.00 0.00 H new ATOM 718 N VAL A 52 10.436 5.711 -3.098 1.00 0.00 N ATOM 719 CA VAL A 52 11.509 4.750 -3.323 1.00 0.00 C ATOM 720 C VAL A 52 11.552 3.705 -2.214 1.00 0.00 C ATOM 721 O VAL A 52 10.804 3.787 -1.240 1.00 0.00 O ATOM 722 CB VAL A 52 12.880 5.449 -3.407 1.00 0.00 C ATOM 723 CG1 VAL A 52 12.952 6.334 -4.643 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.144 6.257 -2.146 1.00 0.00 C ATOM 0 H VAL A 52 10.471 6.178 -2.192 1.00 0.00 H new ATOM 0 HA VAL A 52 11.300 4.259 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 52 13.654 4.686 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.927 6.820 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.810 5.725 -5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.171 7.092 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.116 6.744 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.368 7.013 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.137 5.594 -1.281 1.00 0.00 H new ATOM 734 N PHE A 53 12.433 2.722 -2.369 1.00 0.00 N ATOM 735 CA PHE A 53 12.574 1.659 -1.380 1.00 0.00 C ATOM 736 C PHE A 53 13.475 2.100 -0.231 1.00 0.00 C ATOM 737 O PHE A 53 14.700 2.028 -0.325 1.00 0.00 O ATOM 738 CB PHE A 53 13.143 0.398 -2.034 1.00 0.00 C ATOM 739 CG PHE A 53 12.090 -0.509 -2.605 1.00 0.00 C ATOM 740 CD1 PHE A 53 11.123 -1.070 -1.786 1.00 0.00 C ATOM 741 CD2 PHE A 53 12.067 -0.800 -3.959 1.00 0.00 C ATOM 742 CE1 PHE A 53 10.152 -1.904 -2.308 1.00 0.00 C ATOM 743 CE2 PHE A 53 11.099 -1.633 -4.486 1.00 0.00 C ATOM 744 CZ PHE A 53 10.141 -2.187 -3.660 1.00 0.00 C ATOM 0 H PHE A 53 13.060 2.639 -3.169 1.00 0.00 H new ATOM 0 HA PHE A 53 11.585 1.438 -0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.830 0.689 -2.828 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.725 -0.154 -1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.128 -0.853 -0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.814 -0.371 -4.610 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.403 -2.334 -1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.092 -1.851 -5.544 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.385 -2.840 -4.070 1.00 0.00 H new ATOM 754 N GLY A 54 12.859 2.559 0.854 1.00 0.00 N ATOM 755 CA GLY A 54 13.619 3.007 2.006 1.00 0.00 C ATOM 756 C GLY A 54 14.547 1.933 2.541 1.00 0.00 C ATOM 757 O GLY A 54 15.739 1.925 2.235 1.00 0.00 O ATOM 0 H GLY A 54 11.846 2.629 0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.204 3.885 1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.932 3.315 2.794 1.00 0.00 H new ATOM 761 N ALA A 55 13.999 1.026 3.343 1.00 0.00 N ATOM 762 CA ALA A 55 14.785 -0.056 3.921 1.00 0.00 C ATOM 763 C ALA A 55 14.275 -1.415 3.454 1.00 0.00 C ATOM 764 O ALA A 55 13.798 -2.218 4.255 1.00 0.00 O ATOM 765 CB ALA A 55 14.759 0.026 5.440 1.00 0.00 C ATOM 0 H ALA A 55 13.014 1.019 3.607 1.00 0.00 H new ATOM 0 HA ALA A 55 15.814 0.053 3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.350 -0.788 5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.178 0.980 5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.730 -0.055 5.791 1.00 0.00 H new ATOM 771 N ALA A 56 14.379 -1.666 2.153 1.00 0.00 N ATOM 772 CA ALA A 56 13.929 -2.929 1.580 1.00 0.00 C ATOM 773 C ALA A 56 15.112 -3.832 1.246 1.00 0.00 C ATOM 774 O ALA A 56 16.244 -3.367 1.113 1.00 0.00 O ATOM 775 CB ALA A 56 13.089 -2.674 0.337 1.00 0.00 C ATOM 0 H ALA A 56 14.771 -1.012 1.476 1.00 0.00 H new ATOM 0 HA ALA A 56 13.315 -3.439 2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.759 -3.625 -0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.219 -2.074 0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.686 -2.140 -0.402 1.00 0.00 H new ATOM 781 N THR A 57 14.842 -5.127 1.111 1.00 0.00 N ATOM 782 CA THR A 57 15.884 -6.095 0.794 1.00 0.00 C ATOM 783 C THR A 57 15.872 -6.451 -0.688 1.00 0.00 C ATOM 784 O THR A 57 14.828 -6.406 -1.338 1.00 0.00 O ATOM 785 CB THR A 57 15.722 -7.385 1.621 1.00 0.00 C ATOM 786 OG1 THR A 57 16.668 -8.368 1.186 1.00 0.00 O ATOM 787 CG2 THR A 57 14.311 -7.939 1.488 1.00 0.00 C ATOM 0 H THR A 57 13.911 -5.529 1.216 1.00 0.00 H new ATOM 0 HA THR A 57 16.836 -5.628 1.045 1.00 0.00 H new ATOM 0 HB THR A 57 15.904 -7.144 2.668 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.560 -9.184 1.718 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.220 -8.850 2.080 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.595 -7.200 1.847 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.106 -8.165 0.442 1.00 0.00 H new ATOM 795 N GLU A 58 17.039 -6.804 -1.217 1.00 0.00 N ATOM 796 CA GLU A 58 17.161 -7.167 -2.624 1.00 0.00 C ATOM 797 C GLU A 58 16.046 -8.122 -3.038 1.00 0.00 C ATOM 798 O GLU A 58 15.378 -7.912 -4.051 1.00 0.00 O ATOM 799 CB GLU A 58 18.524 -7.810 -2.891 1.00 0.00 C ATOM 800 CG GLU A 58 18.656 -8.398 -4.286 1.00 0.00 C ATOM 801 CD GLU A 58 18.633 -7.338 -5.370 1.00 0.00 C ATOM 802 OE1 GLU A 58 19.579 -6.525 -5.426 1.00 0.00 O ATOM 803 OE2 GLU A 58 17.669 -7.322 -6.163 1.00 0.00 O ATOM 0 H GLU A 58 17.913 -6.846 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 58 17.074 -6.256 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.304 -7.062 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.696 -8.597 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 58 19.587 -8.960 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.844 -9.105 -4.457 1.00 0.00 H new ATOM 810 N SER A 59 15.851 -9.173 -2.248 1.00 0.00 N ATOM 811 CA SER A 59 14.820 -10.164 -2.534 1.00 0.00 C ATOM 812 C SER A 59 13.453 -9.500 -2.677 1.00 0.00 C ATOM 813 O SER A 59 12.583 -9.993 -3.394 1.00 0.00 O ATOM 814 CB SER A 59 14.774 -11.218 -1.426 1.00 0.00 C ATOM 815 OG SER A 59 16.034 -11.846 -1.267 1.00 0.00 O ATOM 0 H SER A 59 16.393 -9.360 -1.405 1.00 0.00 H new ATOM 0 HA SER A 59 15.070 -10.650 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.476 -10.751 -0.487 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.018 -11.967 -1.663 1.00 0.00 H new ATOM 0 HG SER A 59 15.979 -12.514 -0.552 1.00 0.00 H new ATOM 821 N VAL A 60 13.273 -8.377 -1.988 1.00 0.00 N ATOM 822 CA VAL A 60 12.014 -7.644 -2.038 1.00 0.00 C ATOM 823 C VAL A 60 12.051 -6.560 -3.110 1.00 0.00 C ATOM 824 O VAL A 60 11.053 -5.883 -3.358 1.00 0.00 O ATOM 825 CB VAL A 60 11.687 -6.996 -0.680 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.512 -6.040 -0.813 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.400 -8.064 0.364 1.00 0.00 C ATOM 0 H VAL A 60 13.983 -7.956 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 60 11.237 -8.368 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 60 12.555 -6.423 -0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.296 -5.592 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.760 -5.256 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.636 -6.586 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.171 -7.588 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.549 -8.665 0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.274 -8.705 0.479 1.00 0.00 H new ATOM 837 N ARG A 61 13.209 -6.402 -3.743 1.00 0.00 N ATOM 838 CA ARG A 61 13.377 -5.399 -4.788 1.00 0.00 C ATOM 839 C ARG A 61 13.140 -6.007 -6.168 1.00 0.00 C ATOM 840 O ARG A 61 12.491 -5.402 -7.021 1.00 0.00 O ATOM 841 CB ARG A 61 14.779 -4.791 -4.721 1.00 0.00 C ATOM 842 CG ARG A 61 15.006 -3.918 -3.498 1.00 0.00 C ATOM 843 CD ARG A 61 16.403 -3.317 -3.495 1.00 0.00 C ATOM 844 NE ARG A 61 16.488 -2.126 -4.337 1.00 0.00 N ATOM 845 CZ ARG A 61 17.632 -1.632 -4.796 1.00 0.00 C ATOM 846 NH1 ARG A 61 18.781 -2.222 -4.497 1.00 0.00 N ATOM 847 NH2 ARG A 61 17.629 -0.545 -5.557 1.00 0.00 N ATOM 0 H ARG A 61 14.044 -6.955 -3.551 1.00 0.00 H new ATOM 0 HA ARG A 61 12.640 -4.613 -4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.515 -5.595 -4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.951 -4.197 -5.618 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.265 -3.119 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.862 -4.511 -2.595 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.685 -3.060 -2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.118 -4.061 -3.846 1.00 0.00 H new ATOM 0 HE ARG A 61 15.622 -1.648 -4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.788 -3.058 -3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.658 -1.840 -4.851 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.747 -0.088 -5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.508 -0.166 -5.909 1.00 0.00 H new ATOM 861 N ARG A 62 13.671 -7.207 -6.379 1.00 0.00 N ATOM 862 CA ARG A 62 13.519 -7.896 -7.655 1.00 0.00 C ATOM 863 C ARG A 62 12.157 -8.578 -7.746 1.00 0.00 C ATOM 864 O ARG A 62 11.682 -8.897 -8.837 1.00 0.00 O ATOM 865 CB ARG A 62 14.632 -8.930 -7.836 1.00 0.00 C ATOM 866 CG ARG A 62 14.284 -10.303 -7.286 1.00 0.00 C ATOM 867 CD ARG A 62 14.944 -10.546 -5.938 1.00 0.00 C ATOM 868 NE ARG A 62 14.829 -11.939 -5.515 1.00 0.00 N ATOM 869 CZ ARG A 62 15.721 -12.550 -4.743 1.00 0.00 C ATOM 870 NH1 ARG A 62 16.788 -11.893 -4.311 1.00 0.00 N ATOM 871 NH2 ARG A 62 15.545 -13.820 -4.401 1.00 0.00 N ATOM 0 H ARG A 62 14.210 -7.722 -5.683 1.00 0.00 H new ATOM 0 HA ARG A 62 13.588 -7.154 -8.450 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.862 -9.021 -8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.535 -8.569 -7.344 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.202 -10.392 -7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.602 -11.070 -7.992 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.997 -10.270 -5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.486 -9.901 -5.189 1.00 0.00 H new ATOM 0 HE ARG A 62 14.019 -12.473 -5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.925 -10.916 -4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.472 -12.364 -3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.724 -14.328 -4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.230 -14.288 -3.808 1.00 0.00 H new ATOM 885 N LEU A 63 11.534 -8.799 -6.594 1.00 0.00 N ATOM 886 CA LEU A 63 10.227 -9.444 -6.542 1.00 0.00 C ATOM 887 C LEU A 63 9.107 -8.409 -6.597 1.00 0.00 C ATOM 888 O LEU A 63 7.951 -8.743 -6.861 1.00 0.00 O ATOM 889 CB LEU A 63 10.100 -10.283 -5.270 1.00 0.00 C ATOM 890 CG LEU A 63 8.691 -10.763 -4.920 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.239 -11.843 -5.890 1.00 0.00 C ATOM 892 CD2 LEU A 63 8.642 -11.275 -3.488 1.00 0.00 C ATOM 0 H LEU A 63 11.913 -8.541 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 63 10.137 -10.097 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.745 -11.156 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.481 -9.698 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 63 8.008 -9.918 -5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.234 -12.172 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.234 -11.443 -6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.924 -12.689 -5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.632 -11.612 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.337 -12.107 -3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.922 -10.473 -2.805 1.00 0.00 H new ATOM 904 N LEU A 64 9.457 -7.152 -6.347 1.00 0.00 N ATOM 905 CA LEU A 64 8.483 -6.067 -6.370 1.00 0.00 C ATOM 906 C LEU A 64 9.037 -4.852 -7.106 1.00 0.00 C ATOM 907 O LEU A 64 10.230 -4.556 -7.025 1.00 0.00 O ATOM 908 CB LEU A 64 8.089 -5.679 -4.943 1.00 0.00 C ATOM 909 CG LEU A 64 7.327 -6.737 -4.145 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.606 -6.587 -2.658 1.00 0.00 C ATOM 911 CD2 LEU A 64 5.834 -6.640 -4.422 1.00 0.00 C ATOM 0 H LEU A 64 10.409 -6.859 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 64 7.598 -6.417 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.995 -5.422 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.478 -4.778 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 64 7.672 -7.722 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.055 -7.348 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.674 -6.707 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.289 -5.598 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.307 -7.400 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.474 -5.652 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.650 -6.798 -5.485 1.00 0.00 H new ATOM 923 N ARG A 65 8.164 -4.151 -7.821 1.00 0.00 N ATOM 924 CA ARG A 65 8.567 -2.967 -8.571 1.00 0.00 C ATOM 925 C ARG A 65 7.865 -1.721 -8.037 1.00 0.00 C ATOM 926 O ARG A 65 6.648 -1.716 -7.845 1.00 0.00 O ATOM 927 CB ARG A 65 8.251 -3.146 -10.057 1.00 0.00 C ATOM 928 CG ARG A 65 8.749 -2.004 -10.927 1.00 0.00 C ATOM 929 CD ARG A 65 10.172 -2.246 -11.405 1.00 0.00 C ATOM 930 NE ARG A 65 10.876 -0.997 -11.685 1.00 0.00 N ATOM 931 CZ ARG A 65 11.511 -0.288 -10.759 1.00 0.00 C ATOM 932 NH1 ARG A 65 11.532 -0.703 -9.499 1.00 0.00 N ATOM 933 NH2 ARG A 65 12.129 0.838 -11.091 1.00 0.00 N ATOM 0 H ARG A 65 7.173 -4.382 -7.897 1.00 0.00 H new ATOM 0 HA ARG A 65 9.642 -2.838 -8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.697 -4.078 -10.405 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.172 -3.243 -10.181 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.090 -1.887 -11.787 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.707 -1.072 -10.364 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.718 -2.808 -10.647 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.152 -2.861 -12.305 1.00 0.00 H new ATOM 0 HE ARG A 65 10.880 -0.651 -12.644 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.060 -1.569 -9.239 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.021 -0.156 -8.790 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.117 1.160 -12.059 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.616 1.381 -10.379 1.00 0.00 H new ATOM 947 N LEU A 66 8.639 -0.668 -7.800 1.00 0.00 N ATOM 948 CA LEU A 66 8.092 0.584 -7.289 1.00 0.00 C ATOM 949 C LEU A 66 8.483 1.755 -8.184 1.00 0.00 C ATOM 950 O LEU A 66 9.665 1.988 -8.437 1.00 0.00 O ATOM 951 CB LEU A 66 8.583 0.832 -5.862 1.00 0.00 C ATOM 952 CG LEU A 66 8.300 2.221 -5.286 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.840 2.341 -4.877 1.00 0.00 C ATOM 954 CD2 LEU A 66 9.213 2.504 -4.102 1.00 0.00 C ATOM 0 H LEU A 66 9.647 -0.656 -7.953 1.00 0.00 H new ATOM 0 HA LEU A 66 7.005 0.502 -7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.126 0.089 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.659 0.662 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 66 8.502 2.962 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.657 3.335 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.204 2.183 -5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.611 1.591 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.997 3.496 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.044 1.758 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.253 2.461 -4.426 1.00 0.00 H new ATOM 966 N ASP A 67 7.483 2.490 -8.659 1.00 0.00 N ATOM 967 CA ASP A 67 7.723 3.640 -9.523 1.00 0.00 C ATOM 968 C ASP A 67 7.735 4.934 -8.716 1.00 0.00 C ATOM 969 O ASP A 67 6.720 5.327 -8.141 1.00 0.00 O ATOM 970 CB ASP A 67 6.654 3.715 -10.615 1.00 0.00 C ATOM 971 CG ASP A 67 7.076 4.590 -11.779 1.00 0.00 C ATOM 972 OD1 ASP A 67 7.725 5.629 -11.536 1.00 0.00 O ATOM 973 OD2 ASP A 67 6.759 4.235 -12.933 1.00 0.00 O ATOM 0 H ASP A 67 6.499 2.310 -8.460 1.00 0.00 H new ATOM 0 HA ASP A 67 8.700 3.516 -9.989 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.439 2.710 -10.979 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.729 4.104 -10.188 1.00 0.00 H new ATOM 978 N GLU A 68 8.890 5.590 -8.676 1.00 0.00 N ATOM 979 CA GLU A 68 9.033 6.839 -7.937 1.00 0.00 C ATOM 980 C GLU A 68 8.273 7.969 -8.625 1.00 0.00 C ATOM 981 O GLU A 68 7.548 8.728 -7.982 1.00 0.00 O ATOM 982 CB GLU A 68 10.511 7.211 -7.802 1.00 0.00 C ATOM 983 CG GLU A 68 10.762 8.710 -7.781 1.00 0.00 C ATOM 984 CD GLU A 68 12.120 9.066 -7.207 1.00 0.00 C ATOM 985 OE1 GLU A 68 12.290 8.961 -5.975 1.00 0.00 O ATOM 986 OE2 GLU A 68 13.013 9.449 -7.992 1.00 0.00 O ATOM 0 H GLU A 68 9.740 5.278 -9.146 1.00 0.00 H new ATOM 0 HA GLU A 68 8.610 6.693 -6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.905 6.772 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.065 6.770 -8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.686 9.102 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.984 9.197 -7.193 1.00 0.00 H new ATOM 993 N THR A 69 8.446 8.076 -9.939 1.00 0.00 N ATOM 994 CA THR A 69 7.780 9.114 -10.716 1.00 0.00 C ATOM 995 C THR A 69 6.276 9.108 -10.465 1.00 0.00 C ATOM 996 O THR A 69 5.718 10.079 -9.956 1.00 0.00 O ATOM 997 CB THR A 69 8.038 8.939 -12.225 1.00 0.00 C ATOM 998 OG1 THR A 69 9.395 8.540 -12.447 1.00 0.00 O ATOM 999 CG2 THR A 69 7.755 10.232 -12.975 1.00 0.00 C ATOM 0 H THR A 69 9.042 7.456 -10.487 1.00 0.00 H new ATOM 0 HA THR A 69 8.196 10.068 -10.392 1.00 0.00 H new ATOM 0 HB THR A 69 7.367 8.166 -12.599 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.550 8.429 -13.408 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.944 10.085 -14.038 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.713 10.518 -12.828 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.405 11.021 -12.597 1.00 0.00 H new ATOM 1007 N SER A 70 5.625 8.006 -10.826 1.00 0.00 N ATOM 1008 CA SER A 70 4.184 7.875 -10.642 1.00 0.00 C ATOM 1009 C SER A 70 3.844 7.618 -9.177 1.00 0.00 C ATOM 1010 O SER A 70 2.898 8.191 -8.638 1.00 0.00 O ATOM 1011 CB SER A 70 3.639 6.740 -11.511 1.00 0.00 C ATOM 1012 OG SER A 70 4.183 5.491 -11.118 1.00 0.00 O ATOM 0 H SER A 70 6.072 7.192 -11.247 1.00 0.00 H new ATOM 0 HA SER A 70 3.717 8.812 -10.946 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.552 6.708 -11.433 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.878 6.932 -12.557 1.00 0.00 H new ATOM 0 HG SER A 70 3.818 4.782 -11.687 1.00 0.00 H new ATOM 1018 N GLY A 71 4.624 6.751 -8.538 1.00 0.00 N ATOM 1019 CA GLY A 71 4.391 6.432 -7.142 1.00 0.00 C ATOM 1020 C GLY A 71 3.460 5.249 -6.965 1.00 0.00 C ATOM 1021 O GLY A 71 2.538 5.293 -6.151 1.00 0.00 O ATOM 0 H GLY A 71 5.413 6.264 -8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.344 6.216 -6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.968 7.302 -6.640 1.00 0.00 H new ATOM 1025 N TRP A 72 3.700 4.191 -7.730 1.00 0.00 N ATOM 1026 CA TRP A 72 2.875 2.991 -7.655 1.00 0.00 C ATOM 1027 C TRP A 72 3.692 1.796 -7.175 1.00 0.00 C ATOM 1028 O TRP A 72 4.922 1.806 -7.242 1.00 0.00 O ATOM 1029 CB TRP A 72 2.257 2.686 -9.021 1.00 0.00 C ATOM 1030 CG TRP A 72 0.938 3.364 -9.240 1.00 0.00 C ATOM 1031 CD1 TRP A 72 0.734 4.614 -9.751 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -0.359 2.829 -8.954 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -0.611 4.888 -9.800 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -1.303 3.809 -9.317 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -0.814 1.617 -8.429 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -2.674 3.613 -9.169 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.175 1.424 -8.282 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.092 2.417 -8.652 1.00 0.00 C ATOM 0 H TRP A 72 4.459 4.139 -8.409 1.00 0.00 H new ATOM 0 HA TRP A 72 2.077 3.174 -6.935 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.951 2.995 -9.803 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.125 1.609 -9.120 1.00 0.00 H new ATOM 0 HD1 TRP A 72 1.515 5.288 -10.070 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.027 5.755 -10.141 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.115 0.845 -8.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -3.382 4.378 -9.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.538 0.492 -7.875 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.149 2.235 -8.527 1.00 0.00 H new ATOM 1049 N LEU A 73 3.003 0.769 -6.693 1.00 0.00 N ATOM 1050 CA LEU A 73 3.666 -0.435 -6.202 1.00 0.00 C ATOM 1051 C LEU A 73 2.954 -1.689 -6.697 1.00 0.00 C ATOM 1052 O LEU A 73 1.790 -1.924 -6.372 1.00 0.00 O ATOM 1053 CB LEU A 73 3.710 -0.429 -4.673 1.00 0.00 C ATOM 1054 CG LEU A 73 4.907 -1.133 -4.033 1.00 0.00 C ATOM 1055 CD1 LEU A 73 4.954 -0.854 -2.539 1.00 0.00 C ATOM 1056 CD2 LEU A 73 4.849 -2.630 -4.297 1.00 0.00 C ATOM 0 H LEU A 73 1.985 0.745 -6.631 1.00 0.00 H new ATOM 0 HA LEU A 73 4.685 -0.442 -6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.699 0.607 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.798 -0.896 -4.301 1.00 0.00 H new ATOM 0 HG LEU A 73 5.819 -0.740 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.812 -1.363 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.045 0.219 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.039 -1.218 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.709 -3.115 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.931 -3.039 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.866 -2.811 -5.372 1.00 0.00 H new ATOM 1068 N SER A 74 3.661 -2.494 -7.483 1.00 0.00 N ATOM 1069 CA SER A 74 3.096 -3.725 -8.024 1.00 0.00 C ATOM 1070 C SER A 74 4.131 -4.846 -8.019 1.00 0.00 C ATOM 1071 O SER A 74 5.279 -4.645 -7.624 1.00 0.00 O ATOM 1072 CB SER A 74 2.585 -3.493 -9.448 1.00 0.00 C ATOM 1073 OG SER A 74 3.661 -3.307 -10.352 1.00 0.00 O ATOM 0 H SER A 74 4.627 -2.316 -7.760 1.00 0.00 H new ATOM 0 HA SER A 74 2.261 -4.023 -7.390 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.983 -4.344 -9.765 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.935 -2.618 -9.467 1.00 0.00 H new ATOM 0 HG SER A 74 3.308 -3.162 -11.255 1.00 0.00 H new ATOM 1079 N VAL A 75 3.715 -6.028 -8.461 1.00 0.00 N ATOM 1080 CA VAL A 75 4.605 -7.183 -8.509 1.00 0.00 C ATOM 1081 C VAL A 75 5.441 -7.180 -9.784 1.00 0.00 C ATOM 1082 O VAL A 75 4.959 -6.806 -10.854 1.00 0.00 O ATOM 1083 CB VAL A 75 3.816 -8.503 -8.428 1.00 0.00 C ATOM 1084 CG1 VAL A 75 4.754 -9.694 -8.550 1.00 0.00 C ATOM 1085 CG2 VAL A 75 3.021 -8.570 -7.133 1.00 0.00 C ATOM 0 H VAL A 75 2.768 -6.212 -8.791 1.00 0.00 H new ATOM 0 HA VAL A 75 5.266 -7.110 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 75 3.113 -8.538 -9.261 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.179 -10.618 -8.491 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.274 -9.651 -9.507 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.483 -9.668 -7.740 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.470 -9.509 -7.093 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.703 -8.513 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.320 -7.736 -7.093 1.00 0.00 H new ATOM 1095 N LEU A 76 6.695 -7.599 -9.663 1.00 0.00 N ATOM 1096 CA LEU A 76 7.600 -7.646 -10.807 1.00 0.00 C ATOM 1097 C LEU A 76 7.835 -9.085 -11.256 1.00 0.00 C ATOM 1098 O LEU A 76 7.877 -9.373 -12.453 1.00 0.00 O ATOM 1099 CB LEU A 76 8.934 -6.985 -10.454 1.00 0.00 C ATOM 1100 CG LEU A 76 9.904 -6.770 -11.616 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.276 -5.879 -12.677 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.209 -6.169 -11.117 1.00 0.00 C ATOM 0 H LEU A 76 7.109 -7.911 -8.785 1.00 0.00 H new ATOM 0 HA LEU A 76 7.137 -7.100 -11.629 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.727 -6.018 -9.996 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.431 -7.596 -9.700 1.00 0.00 H new ATOM 0 HG LEU A 76 10.122 -7.738 -12.066 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.981 -5.737 -13.496 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.369 -6.349 -13.056 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.028 -4.912 -12.240 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.887 -6.023 -11.958 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.009 -5.209 -10.641 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.667 -6.844 -10.394 1.00 0.00 H new ATOM 1114 N HIS A 77 7.986 -9.984 -10.290 1.00 0.00 N ATOM 1115 CA HIS A 77 8.213 -11.394 -10.586 1.00 0.00 C ATOM 1116 C HIS A 77 7.232 -12.276 -9.819 1.00 0.00 C ATOM 1117 O HIS A 77 6.659 -11.855 -8.815 1.00 0.00 O ATOM 1118 CB HIS A 77 9.650 -11.785 -10.236 1.00 0.00 C ATOM 1119 CG HIS A 77 10.634 -11.488 -11.325 1.00 0.00 C ATOM 1120 ND1 HIS A 77 10.365 -11.701 -12.661 1.00 0.00 N ATOM 1121 CD2 HIS A 77 11.891 -10.989 -11.271 1.00 0.00 C ATOM 1122 CE1 HIS A 77 11.415 -11.348 -13.381 1.00 0.00 C ATOM 1123 NE2 HIS A 77 12.355 -10.912 -12.561 1.00 0.00 N ATOM 0 H HIS A 77 7.955 -9.762 -9.295 1.00 0.00 H new ATOM 0 HA HIS A 77 8.052 -11.546 -11.653 1.00 0.00 H new ATOM 0 HB2 HIS A 77 9.951 -11.257 -9.331 1.00 0.00 H new ATOM 0 HB3 HIS A 77 9.683 -12.851 -10.009 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.429 -10.704 -10.379 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.492 -11.406 -14.457 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.276 -10.573 -12.841 1.00 0.00 H new ATOM 1132 N ARG A 78 7.044 -13.501 -10.300 1.00 0.00 N ATOM 1133 CA ARG A 78 6.131 -14.441 -9.662 1.00 0.00 C ATOM 1134 C ARG A 78 6.330 -14.449 -8.149 1.00 0.00 C ATOM 1135 O ARG A 78 7.327 -13.933 -7.641 1.00 0.00 O ATOM 1136 CB ARG A 78 6.340 -15.849 -10.222 1.00 0.00 C ATOM 1137 CG ARG A 78 6.053 -15.961 -11.710 1.00 0.00 C ATOM 1138 CD ARG A 78 6.158 -17.400 -12.191 1.00 0.00 C ATOM 1139 NE ARG A 78 5.092 -18.237 -11.647 1.00 0.00 N ATOM 1140 CZ ARG A 78 3.835 -18.199 -12.076 1.00 0.00 C ATOM 1141 NH1 ARG A 78 3.489 -17.369 -13.049 1.00 0.00 N ATOM 1142 NH2 ARG A 78 2.923 -18.993 -11.531 1.00 0.00 N ATOM 0 H ARG A 78 7.512 -13.865 -11.130 1.00 0.00 H new ATOM 0 HA ARG A 78 5.111 -14.121 -9.876 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.369 -16.156 -10.035 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.697 -16.544 -9.683 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.054 -15.578 -11.919 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.755 -15.339 -12.265 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.117 -17.422 -13.280 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.125 -17.810 -11.900 1.00 0.00 H new ATOM 0 HE ARG A 78 5.325 -18.887 -10.896 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.188 -16.757 -13.470 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.523 -17.342 -13.377 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.186 -19.633 -10.782 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.958 -18.963 -11.861 1.00 0.00 H new ATOM 1156 N ILE A 79 5.376 -15.037 -7.435 1.00 0.00 N ATOM 1157 CA ILE A 79 5.447 -15.112 -5.981 1.00 0.00 C ATOM 1158 C ILE A 79 4.934 -16.456 -5.475 1.00 0.00 C ATOM 1159 O ILE A 79 4.158 -17.131 -6.152 1.00 0.00 O ATOM 1160 CB ILE A 79 4.637 -13.983 -5.318 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.290 -12.627 -5.594 1.00 0.00 C ATOM 1162 CG2 ILE A 79 4.518 -14.225 -3.821 1.00 0.00 C ATOM 1163 CD1 ILE A 79 4.346 -11.457 -5.432 1.00 0.00 C ATOM 0 H ILE A 79 4.545 -15.468 -7.840 1.00 0.00 H new ATOM 0 HA ILE A 79 6.497 -15.001 -5.710 1.00 0.00 H new ATOM 0 HB ILE A 79 3.634 -13.976 -5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.136 -12.497 -4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.688 -12.624 -6.609 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.943 -13.418 -3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.013 -15.175 -3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.513 -14.256 -3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.877 -10.529 -5.643 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.512 -11.564 -6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.967 -11.434 -4.410 1.00 0.00 H new ATOM 1175 N ASP A 80 5.370 -16.837 -4.279 1.00 0.00 N ATOM 1176 CA ASP A 80 4.952 -18.099 -3.680 1.00 0.00 C ATOM 1177 C ASP A 80 4.861 -17.975 -2.162 1.00 0.00 C ATOM 1178 O ASP A 80 5.754 -17.424 -1.519 1.00 0.00 O ATOM 1179 CB ASP A 80 5.929 -19.214 -4.055 1.00 0.00 C ATOM 1180 CG ASP A 80 5.258 -20.572 -4.127 1.00 0.00 C ATOM 1181 OD1 ASP A 80 4.413 -20.768 -5.024 1.00 0.00 O ATOM 1182 OD2 ASP A 80 5.578 -21.437 -3.285 1.00 0.00 O ATOM 0 H ASP A 80 6.012 -16.290 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 80 3.964 -18.347 -4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.384 -18.985 -5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.735 -19.249 -3.322 1.00 0.00 H new ATOM 1187 N ARG A 81 3.774 -18.491 -1.596 1.00 0.00 N ATOM 1188 CA ARG A 81 3.565 -18.436 -0.154 1.00 0.00 C ATOM 1189 C ARG A 81 4.646 -19.221 0.583 1.00 0.00 C ATOM 1190 O ARG A 81 5.128 -18.796 1.633 1.00 0.00 O ATOM 1191 CB ARG A 81 2.185 -18.991 0.204 1.00 0.00 C ATOM 1192 CG ARG A 81 1.652 -18.487 1.535 1.00 0.00 C ATOM 1193 CD ARG A 81 2.330 -19.184 2.705 1.00 0.00 C ATOM 1194 NE ARG A 81 1.507 -19.155 3.911 1.00 0.00 N ATOM 1195 CZ ARG A 81 1.864 -19.721 5.059 1.00 0.00 C ATOM 1196 NH1 ARG A 81 3.024 -20.355 5.156 1.00 0.00 N ATOM 1197 NH2 ARG A 81 1.061 -19.651 6.112 1.00 0.00 N ATOM 0 H ARG A 81 3.025 -18.951 -2.114 1.00 0.00 H new ATOM 0 HA ARG A 81 3.622 -17.393 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.480 -18.725 -0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.237 -20.079 0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.812 -17.411 1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.576 -18.654 1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.543 -20.219 2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.287 -18.704 2.908 1.00 0.00 H new ATOM 0 HE ARG A 81 0.609 -18.674 3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.645 -20.409 4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.296 -20.789 6.038 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.168 -19.162 6.041 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.336 -20.086 6.993 1.00 0.00 H new ATOM 1211 N GLU A 82 5.023 -20.367 0.025 1.00 0.00 N ATOM 1212 CA GLU A 82 6.046 -21.211 0.630 1.00 0.00 C ATOM 1213 C GLU A 82 7.327 -20.420 0.878 1.00 0.00 C ATOM 1214 O GLU A 82 7.740 -20.230 2.021 1.00 0.00 O ATOM 1215 CB GLU A 82 6.343 -22.415 -0.267 1.00 0.00 C ATOM 1216 CG GLU A 82 5.193 -23.404 -0.359 1.00 0.00 C ATOM 1217 CD GLU A 82 5.305 -24.319 -1.562 1.00 0.00 C ATOM 1218 OE1 GLU A 82 6.413 -24.840 -1.811 1.00 0.00 O ATOM 1219 OE2 GLU A 82 4.285 -24.515 -2.255 1.00 0.00 O ATOM 0 H GLU A 82 4.635 -20.732 -0.845 1.00 0.00 H new ATOM 0 HA GLU A 82 5.667 -21.566 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.587 -22.060 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.225 -22.931 0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.163 -24.006 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.252 -22.857 -0.410 1.00 0.00 H new ATOM 1226 N GLU A 83 7.951 -19.961 -0.203 1.00 0.00 N ATOM 1227 CA GLU A 83 9.186 -19.192 -0.103 1.00 0.00 C ATOM 1228 C GLU A 83 9.006 -17.994 0.825 1.00 0.00 C ATOM 1229 O GLU A 83 9.878 -17.688 1.639 1.00 0.00 O ATOM 1230 CB GLU A 83 9.630 -18.716 -1.487 1.00 0.00 C ATOM 1231 CG GLU A 83 8.769 -17.599 -2.053 1.00 0.00 C ATOM 1232 CD GLU A 83 9.295 -17.069 -3.373 1.00 0.00 C ATOM 1233 OE1 GLU A 83 9.577 -17.889 -4.271 1.00 0.00 O ATOM 1234 OE2 GLU A 83 9.424 -15.834 -3.507 1.00 0.00 O ATOM 0 H GLU A 83 7.622 -20.108 -1.157 1.00 0.00 H new ATOM 0 HA GLU A 83 9.956 -19.841 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.663 -18.373 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.612 -19.561 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.752 -17.964 -2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.719 -16.783 -1.332 1.00 0.00 H new ATOM 1241 N VAL A 84 7.869 -17.317 0.696 1.00 0.00 N ATOM 1242 CA VAL A 84 7.574 -16.153 1.522 1.00 0.00 C ATOM 1243 C VAL A 84 6.138 -16.191 2.033 1.00 0.00 C ATOM 1244 O VAL A 84 5.197 -16.361 1.258 1.00 0.00 O ATOM 1245 CB VAL A 84 7.795 -14.842 0.744 1.00 0.00 C ATOM 1246 CG1 VAL A 84 9.261 -14.684 0.371 1.00 0.00 C ATOM 1247 CG2 VAL A 84 6.914 -14.803 -0.495 1.00 0.00 C ATOM 0 H VAL A 84 7.137 -17.555 0.027 1.00 0.00 H new ATOM 0 HA VAL A 84 8.259 -16.185 2.369 1.00 0.00 H new ATOM 0 HB VAL A 84 7.516 -14.007 1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.398 -13.752 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.867 -14.664 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.570 -15.522 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.083 -13.870 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.160 -15.645 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.867 -14.867 -0.199 1.00 0.00 H new ATOM 1257 N ASN A 85 5.977 -16.032 3.342 1.00 0.00 N ATOM 1258 CA ASN A 85 4.655 -16.048 3.957 1.00 0.00 C ATOM 1259 C ASN A 85 4.168 -14.630 4.238 1.00 0.00 C ATOM 1260 O ASN A 85 2.965 -14.378 4.298 1.00 0.00 O ATOM 1261 CB ASN A 85 4.684 -16.856 5.256 1.00 0.00 C ATOM 1262 CG ASN A 85 5.797 -16.414 6.187 1.00 0.00 C ATOM 1263 OD1 ASN A 85 5.744 -15.328 6.764 1.00 0.00 O ATOM 1264 ND2 ASN A 85 6.812 -17.257 6.337 1.00 0.00 N ATOM 0 H ASN A 85 6.745 -15.891 3.998 1.00 0.00 H new ATOM 0 HA ASN A 85 3.963 -16.519 3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.726 -16.754 5.766 1.00 0.00 H new ATOM 0 HB3 ASN A 85 4.809 -17.913 5.021 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.590 -17.015 6.951 1.00 0.00 H new ATOM 0 HD22 ASN A 85 6.814 -18.147 5.839 1.00 0.00 H new ATOM 1271 N GLN A 86 5.111 -13.709 4.409 1.00 0.00 N ATOM 1272 CA GLN A 86 4.777 -12.317 4.684 1.00 0.00 C ATOM 1273 C GLN A 86 6.007 -11.425 4.546 1.00 0.00 C ATOM 1274 O GLN A 86 6.989 -11.588 5.272 1.00 0.00 O ATOM 1275 CB GLN A 86 4.187 -12.179 6.088 1.00 0.00 C ATOM 1276 CG GLN A 86 4.009 -10.737 6.535 1.00 0.00 C ATOM 1277 CD GLN A 86 3.364 -10.624 7.902 1.00 0.00 C ATOM 1278 OE1 GLN A 86 2.307 -11.204 8.151 1.00 0.00 O ATOM 1279 NE2 GLN A 86 3.999 -9.876 8.797 1.00 0.00 N ATOM 0 H GLN A 86 6.112 -13.902 4.362 1.00 0.00 H new ATOM 0 HA GLN A 86 4.034 -11.997 3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.220 -12.682 6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.835 -12.693 6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.981 -10.244 6.555 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.398 -10.207 5.804 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.873 -9.413 8.547 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.613 -9.764 9.734 1.00 0.00 H new ATOM 1288 N LEU A 87 5.947 -10.483 3.612 1.00 0.00 N ATOM 1289 CA LEU A 87 7.056 -9.565 3.378 1.00 0.00 C ATOM 1290 C LEU A 87 7.108 -8.488 4.458 1.00 0.00 C ATOM 1291 O LEU A 87 6.252 -8.439 5.341 1.00 0.00 O ATOM 1292 CB LEU A 87 6.925 -8.915 2.000 1.00 0.00 C ATOM 1293 CG LEU A 87 7.650 -9.621 0.854 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.754 -10.678 0.226 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.102 -8.613 -0.193 1.00 0.00 C ATOM 0 H LEU A 87 5.142 -10.335 3.004 1.00 0.00 H new ATOM 0 HA LEU A 87 7.983 -10.137 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.866 -8.852 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.299 -7.893 2.065 1.00 0.00 H new ATOM 0 HG LEU A 87 8.533 -10.116 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.287 -11.170 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.480 -11.417 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.852 -10.206 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.616 -9.133 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.234 -8.090 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.781 -7.893 0.264 1.00 0.00 H new ATOM 1307 N ARG A 88 8.117 -7.627 4.379 1.00 0.00 N ATOM 1308 CA ARG A 88 8.280 -6.550 5.348 1.00 0.00 C ATOM 1309 C ARG A 88 9.390 -5.596 4.919 1.00 0.00 C ATOM 1310 O ARG A 88 10.574 -5.920 5.017 1.00 0.00 O ATOM 1311 CB ARG A 88 8.591 -7.124 6.732 1.00 0.00 C ATOM 1312 CG ARG A 88 8.062 -6.275 7.876 1.00 0.00 C ATOM 1313 CD ARG A 88 8.504 -6.821 9.225 1.00 0.00 C ATOM 1314 NE ARG A 88 9.884 -6.461 9.535 1.00 0.00 N ATOM 1315 CZ ARG A 88 10.252 -5.258 9.963 1.00 0.00 C ATOM 1316 NH1 ARG A 88 9.345 -4.305 10.131 1.00 0.00 N ATOM 1317 NH2 ARG A 88 11.528 -5.006 10.224 1.00 0.00 N ATOM 0 H ARG A 88 8.834 -7.654 3.654 1.00 0.00 H new ATOM 0 HA ARG A 88 7.345 -5.992 5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.164 -8.124 6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.671 -7.230 6.838 1.00 0.00 H new ATOM 0 HG2 ARG A 88 8.415 -5.250 7.764 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.973 -6.243 7.834 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.846 -6.438 10.005 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.403 -7.906 9.228 1.00 0.00 H new ATOM 0 HE ARG A 88 10.606 -7.172 9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.363 -4.495 9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.630 -3.382 10.460 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.229 -5.736 10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.809 -4.082 10.552 1.00 0.00 H new ATOM 1331 N PHE A 89 9.000 -4.418 4.444 1.00 0.00 N ATOM 1332 CA PHE A 89 9.963 -3.416 3.999 1.00 0.00 C ATOM 1333 C PHE A 89 9.489 -2.010 4.355 1.00 0.00 C ATOM 1334 O PHE A 89 8.432 -1.833 4.962 1.00 0.00 O ATOM 1335 CB PHE A 89 10.182 -3.525 2.488 1.00 0.00 C ATOM 1336 CG PHE A 89 8.905 -3.570 1.699 1.00 0.00 C ATOM 1337 CD1 PHE A 89 8.201 -4.755 1.561 1.00 0.00 C ATOM 1338 CD2 PHE A 89 8.408 -2.426 1.095 1.00 0.00 C ATOM 1339 CE1 PHE A 89 7.026 -4.799 0.834 1.00 0.00 C ATOM 1340 CE2 PHE A 89 7.234 -2.463 0.367 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.541 -3.651 0.238 1.00 0.00 C ATOM 0 H PHE A 89 8.024 -4.133 4.357 1.00 0.00 H new ATOM 0 HA PHE A 89 10.907 -3.603 4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.777 -2.675 2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.762 -4.423 2.277 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.574 -5.655 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.945 -1.494 1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.488 -5.730 0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.859 -1.565 -0.100 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.622 -3.682 -0.328 1.00 0.00 H new ATOM 1351 N THR A 90 10.279 -1.012 3.974 1.00 0.00 N ATOM 1352 CA THR A 90 9.943 0.379 4.253 1.00 0.00 C ATOM 1353 C THR A 90 10.079 1.240 3.003 1.00 0.00 C ATOM 1354 O THR A 90 10.996 1.050 2.203 1.00 0.00 O ATOM 1355 CB THR A 90 10.837 0.960 5.364 1.00 0.00 C ATOM 1356 OG1 THR A 90 11.166 -0.060 6.313 1.00 0.00 O ATOM 1357 CG2 THR A 90 10.141 2.113 6.072 1.00 0.00 C ATOM 0 H THR A 90 11.157 -1.141 3.471 1.00 0.00 H new ATOM 0 HA THR A 90 8.906 0.393 4.587 1.00 0.00 H new ATOM 0 HB THR A 90 11.751 1.336 4.904 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.736 0.318 7.015 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.792 2.507 6.852 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.919 2.901 5.352 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.212 1.758 6.519 1.00 0.00 H new ATOM 1365 N VAL A 91 9.162 2.188 2.840 1.00 0.00 N ATOM 1366 CA VAL A 91 9.182 3.080 1.687 1.00 0.00 C ATOM 1367 C VAL A 91 9.398 4.528 2.116 1.00 0.00 C ATOM 1368 O VAL A 91 8.911 4.955 3.162 1.00 0.00 O ATOM 1369 CB VAL A 91 7.873 2.985 0.881 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.738 1.612 0.242 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.677 3.287 1.771 1.00 0.00 C ATOM 0 H VAL A 91 8.396 2.358 3.492 1.00 0.00 H new ATOM 0 HA VAL A 91 10.012 2.763 1.056 1.00 0.00 H new ATOM 0 HB VAL A 91 7.902 3.729 0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.807 1.564 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.579 1.439 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.730 0.848 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.760 3.215 1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.642 2.568 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.771 4.294 2.177 1.00 0.00 H new ATOM 1381 N MET A 92 10.130 5.278 1.299 1.00 0.00 N ATOM 1382 CA MET A 92 10.409 6.679 1.593 1.00 0.00 C ATOM 1383 C MET A 92 9.694 7.595 0.605 1.00 0.00 C ATOM 1384 O MET A 92 9.295 7.165 -0.476 1.00 0.00 O ATOM 1385 CB MET A 92 11.916 6.941 1.551 1.00 0.00 C ATOM 1386 CG MET A 92 12.617 6.675 2.873 1.00 0.00 C ATOM 1387 SD MET A 92 14.102 7.675 3.086 1.00 0.00 S ATOM 1388 CE MET A 92 15.090 7.112 1.703 1.00 0.00 C ATOM 0 H MET A 92 10.540 4.940 0.429 1.00 0.00 H new ATOM 0 HA MET A 92 10.038 6.895 2.595 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.364 6.315 0.779 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.088 7.977 1.260 1.00 0.00 H new ATOM 0 HG2 MET A 92 11.927 6.877 3.692 1.00 0.00 H new ATOM 0 HG3 MET A 92 12.883 5.620 2.933 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.093 7.532 1.778 1.00 0.00 H new ATOM 0 HE2 MET A 92 15.150 6.024 1.718 1.00 0.00 H new ATOM 0 HE3 MET A 92 14.629 7.437 0.770 1.00 0.00 H new ATOM 1398 N ALA A 93 9.535 8.858 0.985 1.00 0.00 N ATOM 1399 CA ALA A 93 8.869 9.834 0.131 1.00 0.00 C ATOM 1400 C ALA A 93 9.574 11.185 0.189 1.00 0.00 C ATOM 1401 O ALA A 93 9.486 11.900 1.188 1.00 0.00 O ATOM 1402 CB ALA A 93 7.410 9.981 0.536 1.00 0.00 C ATOM 0 H ALA A 93 9.858 9.230 1.878 1.00 0.00 H new ATOM 0 HA ALA A 93 8.915 9.473 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.925 10.713 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.906 9.019 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.352 10.316 1.572 1.00 0.00 H new ATOM 1408 N ARG A 94 10.274 11.529 -0.887 1.00 0.00 N ATOM 1409 CA ARG A 94 10.996 12.793 -0.958 1.00 0.00 C ATOM 1410 C ARG A 94 10.053 13.938 -1.317 1.00 0.00 C ATOM 1411 O ARG A 94 8.962 13.715 -1.841 1.00 0.00 O ATOM 1412 CB ARG A 94 12.124 12.705 -1.988 1.00 0.00 C ATOM 1413 CG ARG A 94 13.034 11.504 -1.792 1.00 0.00 C ATOM 1414 CD ARG A 94 14.203 11.526 -2.765 1.00 0.00 C ATOM 1415 NE ARG A 94 13.767 11.341 -4.147 1.00 0.00 N ATOM 1416 CZ ARG A 94 14.571 11.480 -5.196 1.00 0.00 C ATOM 1417 NH1 ARG A 94 15.845 11.803 -5.020 1.00 0.00 N ATOM 1418 NH2 ARG A 94 14.101 11.294 -6.423 1.00 0.00 N ATOM 0 H ARG A 94 10.356 10.949 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 94 11.425 12.992 0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.690 12.662 -2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.722 13.615 -1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.411 11.495 -0.769 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.462 10.586 -1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 94 14.732 12.475 -2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 94 14.911 10.741 -2.500 1.00 0.00 H new ATOM 0 HE ARG A 94 12.793 11.092 -4.316 1.00 0.00 H new ATOM 0 HH11 ARG A 94 16.210 11.945 -4.078 1.00 0.00 H new ATOM 0 HH12 ARG A 94 16.460 11.909 -5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 94 13.122 11.044 -6.562 1.00 0.00 H new ATOM 0 HH22 ARG A 94 14.719 11.401 -7.227 1.00 0.00 H new ATOM 1520 N LYS A 101 13.272 16.189 2.965 1.00 0.00 N ATOM 1521 CA LYS A 101 12.743 15.384 4.059 1.00 0.00 C ATOM 1522 C LYS A 101 12.018 14.152 3.527 1.00 0.00 C ATOM 1523 O LYS A 101 11.109 14.260 2.704 1.00 0.00 O ATOM 1524 CB LYS A 101 11.790 16.218 4.919 1.00 0.00 C ATOM 1525 CG LYS A 101 11.375 15.530 6.209 1.00 0.00 C ATOM 1526 CD LYS A 101 12.449 15.653 7.276 1.00 0.00 C ATOM 1527 CE LYS A 101 12.305 16.946 8.065 1.00 0.00 C ATOM 1528 NZ LYS A 101 13.040 18.071 7.425 1.00 0.00 N ATOM 0 HA LYS A 101 13.581 15.054 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.268 17.167 5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.898 16.450 4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.446 15.969 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.175 14.477 6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.388 14.802 7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.433 15.618 6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.249 17.204 8.150 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.679 16.797 9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.357 18.739 8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.866 17.700 6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.411 18.561 6.757 1.00 0.00 H new ATOM 1542 N THR A 102 12.426 12.979 4.003 1.00 0.00 N ATOM 1543 CA THR A 102 11.816 11.727 3.575 1.00 0.00 C ATOM 1544 C THR A 102 11.073 11.056 4.725 1.00 0.00 C ATOM 1545 O THR A 102 11.560 11.024 5.856 1.00 0.00 O ATOM 1546 CB THR A 102 12.869 10.750 3.020 1.00 0.00 C ATOM 1547 OG1 THR A 102 13.990 10.680 3.909 1.00 0.00 O ATOM 1548 CG2 THR A 102 13.336 11.185 1.639 1.00 0.00 C ATOM 0 H THR A 102 13.177 12.871 4.685 1.00 0.00 H new ATOM 0 HA THR A 102 11.108 11.975 2.784 1.00 0.00 H new ATOM 0 HB THR A 102 12.410 9.765 2.937 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.343 9.766 3.920 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.079 10.480 1.267 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.485 11.208 0.958 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.778 12.179 1.701 1.00 0.00 H new ATOM 1556 N ASP A 103 9.894 10.521 4.430 1.00 0.00 N ATOM 1557 CA ASP A 103 9.085 9.849 5.440 1.00 0.00 C ATOM 1558 C ASP A 103 9.065 8.342 5.205 1.00 0.00 C ATOM 1559 O ASP A 103 8.689 7.874 4.130 1.00 0.00 O ATOM 1560 CB ASP A 103 7.657 10.398 5.428 1.00 0.00 C ATOM 1561 CG ASP A 103 6.852 9.944 6.630 1.00 0.00 C ATOM 1562 OD1 ASP A 103 7.351 10.086 7.766 1.00 0.00 O ATOM 1563 OD2 ASP A 103 5.724 9.445 6.434 1.00 0.00 O ATOM 0 H ASP A 103 9.477 10.539 3.499 1.00 0.00 H new ATOM 0 HA ASP A 103 9.532 10.041 6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.690 11.487 5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.155 10.076 4.516 1.00 0.00 H new ATOM 1568 N LYS A 104 9.474 7.585 6.218 1.00 0.00 N ATOM 1569 CA LYS A 104 9.503 6.131 6.124 1.00 0.00 C ATOM 1570 C LYS A 104 8.160 5.532 6.530 1.00 0.00 C ATOM 1571 O LYS A 104 7.476 6.056 7.408 1.00 0.00 O ATOM 1572 CB LYS A 104 10.615 5.564 7.010 1.00 0.00 C ATOM 1573 CG LYS A 104 12.000 5.682 6.398 1.00 0.00 C ATOM 1574 CD LYS A 104 13.089 5.501 7.443 1.00 0.00 C ATOM 1575 CE LYS A 104 14.447 5.934 6.913 1.00 0.00 C ATOM 1576 NZ LYS A 104 15.396 6.256 8.015 1.00 0.00 N ATOM 0 H LYS A 104 9.790 7.956 7.114 1.00 0.00 H new ATOM 0 HA LYS A 104 9.701 5.863 5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.605 6.083 7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.405 4.514 7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.118 4.933 5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.108 6.658 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.842 6.082 8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.133 4.455 7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.865 5.140 6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.325 6.807 6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.310 6.547 7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.009 7.031 8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.533 5.416 8.612 1.00 0.00 H new ATOM 1590 N ALA A 105 7.790 4.430 5.886 1.00 0.00 N ATOM 1591 CA ALA A 105 6.531 3.758 6.182 1.00 0.00 C ATOM 1592 C ALA A 105 6.657 2.249 6.000 1.00 0.00 C ATOM 1593 O ALA A 105 7.030 1.772 4.928 1.00 0.00 O ATOM 1594 CB ALA A 105 5.419 4.307 5.300 1.00 0.00 C ATOM 0 H ALA A 105 8.345 3.984 5.156 1.00 0.00 H new ATOM 0 HA ALA A 105 6.282 3.952 7.225 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.485 3.796 5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.303 5.375 5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.671 4.144 4.252 1.00 0.00 H new ATOM 1600 N THR A 106 6.346 1.502 7.055 1.00 0.00 N ATOM 1601 CA THR A 106 6.427 0.048 7.012 1.00 0.00 C ATOM 1602 C THR A 106 5.256 -0.545 6.237 1.00 0.00 C ATOM 1603 O THR A 106 4.095 -0.252 6.525 1.00 0.00 O ATOM 1604 CB THR A 106 6.448 -0.556 8.429 1.00 0.00 C ATOM 1605 OG1 THR A 106 7.490 0.049 9.203 1.00 0.00 O ATOM 1606 CG2 THR A 106 6.660 -2.061 8.372 1.00 0.00 C ATOM 0 H THR A 106 6.036 1.881 7.950 1.00 0.00 H new ATOM 0 HA THR A 106 7.359 -0.202 6.505 1.00 0.00 H new ATOM 0 HB THR A 106 5.485 -0.358 8.899 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.496 -0.339 10.103 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.671 -2.465 9.384 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.850 -2.521 7.806 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.611 -2.276 7.885 1.00 0.00 H new ATOM 1614 N VAL A 107 5.567 -1.382 5.251 1.00 0.00 N ATOM 1615 CA VAL A 107 4.539 -2.018 4.436 1.00 0.00 C ATOM 1616 C VAL A 107 4.428 -3.505 4.753 1.00 0.00 C ATOM 1617 O VAL A 107 5.252 -4.308 4.315 1.00 0.00 O ATOM 1618 CB VAL A 107 4.830 -1.846 2.933 1.00 0.00 C ATOM 1619 CG1 VAL A 107 3.807 -2.604 2.101 1.00 0.00 C ATOM 1620 CG2 VAL A 107 4.846 -0.371 2.559 1.00 0.00 C ATOM 0 H VAL A 107 6.522 -1.635 4.998 1.00 0.00 H new ATOM 0 HA VAL A 107 3.596 -1.527 4.676 1.00 0.00 H new ATOM 0 HB VAL A 107 5.815 -2.262 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.029 -2.471 1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.849 -3.664 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.809 -2.221 2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.053 -0.268 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.876 0.072 2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.620 0.141 3.130 1.00 0.00 H new ATOM 1630 N VAL A 108 3.402 -3.865 5.518 1.00 0.00 N ATOM 1631 CA VAL A 108 3.181 -5.256 5.894 1.00 0.00 C ATOM 1632 C VAL A 108 2.284 -5.963 4.883 1.00 0.00 C ATOM 1633 O VAL A 108 1.057 -5.904 4.978 1.00 0.00 O ATOM 1634 CB VAL A 108 2.545 -5.365 7.293 1.00 0.00 C ATOM 1635 CG1 VAL A 108 2.310 -6.823 7.660 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.420 -4.679 8.330 1.00 0.00 C ATOM 0 H VAL A 108 2.711 -3.213 5.889 1.00 0.00 H new ATOM 0 HA VAL A 108 4.158 -5.739 5.909 1.00 0.00 H new ATOM 0 HB VAL A 108 1.579 -4.860 7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.860 -6.881 8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.640 -7.278 6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.261 -7.356 7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.956 -4.766 9.312 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.401 -5.153 8.349 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.531 -3.626 8.073 1.00 0.00 H new ATOM 1646 N LEU A 109 2.904 -6.631 3.917 1.00 0.00 N ATOM 1647 CA LEU A 109 2.162 -7.350 2.887 1.00 0.00 C ATOM 1648 C LEU A 109 1.816 -8.762 3.351 1.00 0.00 C ATOM 1649 O LEU A 109 2.699 -9.598 3.537 1.00 0.00 O ATOM 1650 CB LEU A 109 2.975 -7.411 1.593 1.00 0.00 C ATOM 1651 CG LEU A 109 3.302 -6.066 0.942 1.00 0.00 C ATOM 1652 CD1 LEU A 109 4.121 -6.271 -0.323 1.00 0.00 C ATOM 1653 CD2 LEU A 109 2.025 -5.299 0.634 1.00 0.00 C ATOM 0 H LEU A 109 3.918 -6.690 3.825 1.00 0.00 H new ATOM 0 HA LEU A 109 1.233 -6.811 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.911 -7.929 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.428 -8.018 0.872 1.00 0.00 H new ATOM 0 HG LEU A 109 3.895 -5.479 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.344 -5.304 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.053 -6.780 -0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.554 -6.877 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.276 -4.345 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.406 -5.882 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.476 -5.120 1.558 1.00 0.00 H new ATOM 1665 N ASN A 110 0.525 -9.020 3.532 1.00 0.00 N ATOM 1666 CA ASN A 110 0.063 -10.331 3.973 1.00 0.00 C ATOM 1667 C ASN A 110 -0.172 -11.253 2.780 1.00 0.00 C ATOM 1668 O ASN A 110 -1.107 -11.055 2.004 1.00 0.00 O ATOM 1669 CB ASN A 110 -1.225 -10.194 4.787 1.00 0.00 C ATOM 1670 CG ASN A 110 -0.956 -9.898 6.250 1.00 0.00 C ATOM 1671 OD1 ASN A 110 -0.653 -10.800 7.031 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -1.065 -8.630 6.627 1.00 0.00 N ATOM 0 H ASN A 110 -0.219 -8.339 3.380 1.00 0.00 H new ATOM 0 HA ASN A 110 0.837 -10.769 4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.836 -9.396 4.364 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.803 -11.115 4.706 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.895 -8.370 7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.319 -7.915 5.945 1.00 0.00 H new ATOM 1679 N ILE A 111 0.682 -12.262 2.642 1.00 0.00 N ATOM 1680 CA ILE A 111 0.566 -13.216 1.546 1.00 0.00 C ATOM 1681 C ILE A 111 -0.656 -14.111 1.723 1.00 0.00 C ATOM 1682 O ILE A 111 -0.793 -14.802 2.733 1.00 0.00 O ATOM 1683 CB ILE A 111 1.823 -14.099 1.433 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.084 -13.233 1.450 1.00 0.00 C ATOM 1685 CG2 ILE A 111 1.767 -14.939 0.166 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.241 -12.370 0.218 1.00 0.00 C ATOM 0 H ILE A 111 1.461 -12.440 3.275 1.00 0.00 H new ATOM 0 HA ILE A 111 0.457 -12.634 0.631 1.00 0.00 H new ATOM 0 HB ILE A 111 1.856 -14.771 2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.063 -12.593 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 111 3.957 -13.879 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.662 -15.558 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 111 0.885 -15.579 0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 111 1.714 -14.283 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.156 -11.783 0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.294 -13.005 -0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.386 -11.699 0.133 1.00 0.00 H new ATOM 1698 N LYS A 112 -1.542 -14.095 0.733 1.00 0.00 N ATOM 1699 CA LYS A 112 -2.753 -14.907 0.775 1.00 0.00 C ATOM 1700 C LYS A 112 -2.630 -16.116 -0.147 1.00 0.00 C ATOM 1701 O LYS A 112 -1.651 -16.251 -0.881 1.00 0.00 O ATOM 1702 CB LYS A 112 -3.968 -14.068 0.375 1.00 0.00 C ATOM 1703 CG LYS A 112 -4.235 -12.899 1.308 1.00 0.00 C ATOM 1704 CD LYS A 112 -5.128 -13.304 2.469 1.00 0.00 C ATOM 1705 CE LYS A 112 -6.600 -13.180 2.109 1.00 0.00 C ATOM 1706 NZ LYS A 112 -7.466 -13.145 3.320 1.00 0.00 N ATOM 0 H LYS A 112 -1.444 -13.528 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.886 -15.264 1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.820 -13.688 -0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.849 -14.709 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.290 -12.515 1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.706 -12.088 0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.908 -14.332 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.910 -12.677 3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.756 -12.273 1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.892 -14.020 1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.462 -13.060 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.337 -14.021 3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.205 -12.329 3.910 1.00 0.00 H new ATOM 1720 N ASP A 113 -3.629 -16.990 -0.105 1.00 0.00 N ATOM 1721 CA ASP A 113 -3.634 -18.186 -0.939 1.00 0.00 C ATOM 1722 C ASP A 113 -4.849 -18.201 -1.861 1.00 0.00 C ATOM 1723 O ASP A 113 -5.988 -18.112 -1.404 1.00 0.00 O ATOM 1724 CB ASP A 113 -3.626 -19.442 -0.066 1.00 0.00 C ATOM 1725 CG ASP A 113 -3.130 -20.664 -0.815 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -3.474 -20.809 -2.006 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -2.400 -21.476 -0.209 1.00 0.00 O ATOM 0 H ASP A 113 -4.446 -16.893 0.498 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.734 -18.174 -1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.993 -19.272 0.805 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.634 -19.630 0.304 1.00 0.00 H new