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 Set 1.1: A 86 GLN : amide:sc= 0.0306 X(o=-0.16,f=0) USER MOD Set 1.2: A 110 ASN : amide:sc= -0.193 X(o=-0.16,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 81:sc= 0.619 USER MOD Single : A 26 ASN : amide:sc= -1.04! C(o=-1!,f=-1.8!) USER MOD Single : A 27 SER OG : rot 21:sc=-0.00908 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -4.66! C(o=-4.7!,f=-7.3!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 170:sc= -1.32! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -171:sc= -0.153 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.42) USER MOD Single : A 85 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.55) USER MOD Single : A 90 THR OG1 : rot 176:sc= -1.05 USER MOD Single : A 92 MET CE :methyl -159:sc= -0.0126 (180deg=-0.681) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 21:sc= 0.36 USER MOD Single : A 104 LYS NZ :NH3+ -123:sc=-0.00203 (180deg=-0.562) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -172:sc= 0.0088 (180deg=0.00684) USER MOD ----------------------------------------------------------------- ATOM 117 N PRO A 12 5.933 15.867 3.519 1.00 0.00 N ATOM 118 CA PRO A 12 5.376 14.695 2.837 1.00 0.00 C ATOM 119 C PRO A 12 5.321 13.469 3.742 1.00 0.00 C ATOM 120 O PRO A 12 6.260 12.674 3.784 1.00 0.00 O ATOM 121 CB PRO A 12 6.352 14.462 1.680 1.00 0.00 C ATOM 122 CG PRO A 12 7.637 15.057 2.143 1.00 0.00 C ATOM 123 CD PRO A 12 7.263 16.231 3.004 1.00 0.00 C ATOM 0 HA PRO A 12 4.347 14.859 2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.463 13.399 1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.002 14.939 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.223 14.331 2.706 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.248 15.372 1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.979 16.381 3.812 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.232 17.157 2.429 1.00 0.00 H new ATOM 131 N ARG A 13 4.215 13.322 4.465 1.00 0.00 N ATOM 132 CA ARG A 13 4.038 12.193 5.370 1.00 0.00 C ATOM 133 C ARG A 13 2.883 11.307 4.914 1.00 0.00 C ATOM 134 O ARG A 13 1.764 11.780 4.714 1.00 0.00 O ATOM 135 CB ARG A 13 3.782 12.689 6.794 1.00 0.00 C ATOM 136 CG ARG A 13 4.987 13.365 7.429 1.00 0.00 C ATOM 137 CD ARG A 13 5.000 13.177 8.938 1.00 0.00 C ATOM 138 NE ARG A 13 3.900 13.884 9.588 1.00 0.00 N ATOM 139 CZ ARG A 13 3.898 14.216 10.874 1.00 0.00 C ATOM 140 NH1 ARG A 13 4.932 13.908 11.644 1.00 0.00 N ATOM 141 NH2 ARG A 13 2.859 14.859 11.392 1.00 0.00 N ATOM 0 H ARG A 13 3.428 13.971 4.441 1.00 0.00 H new ATOM 0 HA ARG A 13 4.954 11.602 5.357 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.948 13.390 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.480 11.846 7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.902 12.955 7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.974 14.429 7.194 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.936 12.114 9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.948 13.535 9.340 1.00 0.00 H new ATOM 0 HE ARG A 13 3.089 14.137 9.024 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.733 13.414 11.249 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.927 14.165 12.631 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.062 15.098 10.802 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.858 15.114 12.380 1.00 0.00 H new ATOM 155 N PHE A 14 3.163 10.018 4.750 1.00 0.00 N ATOM 156 CA PHE A 14 2.148 9.065 4.315 1.00 0.00 C ATOM 157 C PHE A 14 0.900 9.164 5.188 1.00 0.00 C ATOM 158 O PHE A 14 0.918 9.792 6.246 1.00 0.00 O ATOM 159 CB PHE A 14 2.703 7.640 4.360 1.00 0.00 C ATOM 160 CG PHE A 14 3.752 7.373 3.318 1.00 0.00 C ATOM 161 CD1 PHE A 14 3.400 7.208 1.988 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.090 7.287 3.669 1.00 0.00 C ATOM 163 CE1 PHE A 14 4.363 6.961 1.028 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.058 7.041 2.713 1.00 0.00 C ATOM 165 CZ PHE A 14 5.694 6.879 1.391 1.00 0.00 C ATOM 0 H PHE A 14 4.084 9.610 4.912 1.00 0.00 H new ATOM 0 HA PHE A 14 1.873 9.308 3.289 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.127 7.455 5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.883 6.935 4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.362 7.273 1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.380 7.414 4.702 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.076 6.832 -0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.097 6.976 3.000 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.448 6.689 0.642 1.00 0.00 H new ATOM 175 N GLU A 15 -0.182 8.538 4.736 1.00 0.00 N ATOM 176 CA GLU A 15 -1.439 8.556 5.475 1.00 0.00 C ATOM 177 C GLU A 15 -1.423 7.529 6.603 1.00 0.00 C ATOM 178 O GLU A 15 -1.809 7.825 7.734 1.00 0.00 O ATOM 179 CB GLU A 15 -2.614 8.278 4.534 1.00 0.00 C ATOM 180 CG GLU A 15 -2.610 9.141 3.284 1.00 0.00 C ATOM 181 CD GLU A 15 -4.006 9.419 2.762 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.868 9.833 3.566 1.00 0.00 O ATOM 183 OE2 GLU A 15 -4.237 9.223 1.551 1.00 0.00 O ATOM 0 H GLU A 15 -0.213 8.012 3.862 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.559 9.547 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.593 7.228 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.547 8.440 5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.113 10.086 3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.028 8.646 2.507 1.00 0.00 H new ATOM 190 N LYS A 16 -0.973 6.319 6.287 1.00 0.00 N ATOM 191 CA LYS A 16 -0.904 5.246 7.272 1.00 0.00 C ATOM 192 C LYS A 16 0.543 4.939 7.642 1.00 0.00 C ATOM 193 O LYS A 16 1.396 4.777 6.769 1.00 0.00 O ATOM 194 CB LYS A 16 -1.582 3.985 6.731 1.00 0.00 C ATOM 195 CG LYS A 16 -2.997 4.222 6.232 1.00 0.00 C ATOM 196 CD LYS A 16 -3.535 3.012 5.486 1.00 0.00 C ATOM 197 CE LYS A 16 -3.096 3.014 4.030 1.00 0.00 C ATOM 198 NZ LYS A 16 -3.403 1.722 3.356 1.00 0.00 N ATOM 0 H LYS A 16 -0.650 6.057 5.356 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.427 5.576 8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.981 3.581 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.604 3.229 7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.648 4.449 7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.011 5.092 5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.187 2.100 5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.624 3.005 5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.595 3.827 3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.025 3.207 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.088 1.764 2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.907 0.949 3.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.428 1.549 3.387 1.00 0.00 H new ATOM 212 N SER A 17 0.813 4.860 8.941 1.00 0.00 N ATOM 213 CA SER A 17 2.158 4.575 9.426 1.00 0.00 C ATOM 214 C SER A 17 2.674 3.258 8.854 1.00 0.00 C ATOM 215 O SER A 17 3.838 3.149 8.467 1.00 0.00 O ATOM 216 CB SER A 17 2.171 4.520 10.955 1.00 0.00 C ATOM 217 OG SER A 17 1.946 5.802 11.514 1.00 0.00 O ATOM 0 H SER A 17 0.118 4.989 9.676 1.00 0.00 H new ATOM 0 HA SER A 17 2.815 5.378 9.093 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.404 3.828 11.303 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.130 4.133 11.300 1.00 0.00 H new ATOM 0 HG SER A 17 1.957 5.739 12.492 1.00 0.00 H new ATOM 223 N VAL A 18 1.799 2.259 8.804 1.00 0.00 N ATOM 224 CA VAL A 18 2.164 0.948 8.278 1.00 0.00 C ATOM 225 C VAL A 18 1.159 0.476 7.233 1.00 0.00 C ATOM 226 O VAL A 18 0.092 -0.037 7.570 1.00 0.00 O ATOM 227 CB VAL A 18 2.251 -0.102 9.401 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.403 -1.498 8.816 1.00 0.00 C ATOM 229 CG2 VAL A 18 3.403 0.219 10.342 1.00 0.00 C ATOM 0 H VAL A 18 0.832 2.332 9.121 1.00 0.00 H new ATOM 0 HA VAL A 18 3.144 1.055 7.813 1.00 0.00 H new ATOM 0 HB VAL A 18 1.325 -0.073 9.974 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.463 -2.227 9.624 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.542 -1.724 8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.313 -1.545 8.217 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.450 -0.533 11.130 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.339 0.219 9.784 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.246 1.201 10.787 1.00 0.00 H new ATOM 239 N TYR A 19 1.508 0.653 5.964 1.00 0.00 N ATOM 240 CA TYR A 19 0.636 0.247 4.868 1.00 0.00 C ATOM 241 C TYR A 19 0.487 -1.270 4.824 1.00 0.00 C ATOM 242 O TYR A 19 1.393 -1.981 4.391 1.00 0.00 O ATOM 243 CB TYR A 19 1.188 0.755 3.534 1.00 0.00 C ATOM 244 CG TYR A 19 0.773 2.172 3.208 1.00 0.00 C ATOM 245 CD1 TYR A 19 0.999 3.208 4.107 1.00 0.00 C ATOM 246 CD2 TYR A 19 0.157 2.476 2.001 1.00 0.00 C ATOM 247 CE1 TYR A 19 0.622 4.503 3.813 1.00 0.00 C ATOM 248 CE2 TYR A 19 -0.223 3.769 1.698 1.00 0.00 C ATOM 249 CZ TYR A 19 0.011 4.779 2.607 1.00 0.00 C ATOM 250 OH TYR A 19 -0.365 6.069 2.310 1.00 0.00 O ATOM 0 H TYR A 19 2.388 1.075 5.669 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.347 0.686 5.038 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.276 0.700 3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.851 0.094 2.736 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.478 2.996 5.052 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.028 1.687 1.287 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.804 5.296 4.523 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.701 3.988 0.754 1.00 0.00 H new ATOM 0 HH TYR A 19 0.413 6.570 1.987 1.00 0.00 H new ATOM 260 N GLU A 20 -0.664 -1.758 5.275 1.00 0.00 N ATOM 261 CA GLU A 20 -0.933 -3.192 5.288 1.00 0.00 C ATOM 262 C GLU A 20 -1.945 -3.565 4.208 1.00 0.00 C ATOM 263 O GLU A 20 -3.088 -3.112 4.231 1.00 0.00 O ATOM 264 CB GLU A 20 -1.453 -3.623 6.661 1.00 0.00 C ATOM 265 CG GLU A 20 -1.250 -5.100 6.952 1.00 0.00 C ATOM 266 CD GLU A 20 -1.253 -5.408 8.437 1.00 0.00 C ATOM 267 OE1 GLU A 20 -2.334 -5.332 9.057 1.00 0.00 O ATOM 268 OE2 GLU A 20 -0.173 -5.726 8.979 1.00 0.00 O ATOM 0 H GLU A 20 -1.425 -1.183 5.636 1.00 0.00 H new ATOM 0 HA GLU A 20 0.002 -3.714 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.951 -3.037 7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.516 -3.391 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.038 -5.674 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.304 -5.425 6.519 1.00 0.00 H new ATOM 275 N ALA A 21 -1.513 -4.395 3.264 1.00 0.00 N ATOM 276 CA ALA A 21 -2.380 -4.831 2.176 1.00 0.00 C ATOM 277 C ALA A 21 -2.281 -6.338 1.965 1.00 0.00 C ATOM 278 O ALA A 21 -1.361 -6.984 2.466 1.00 0.00 O ATOM 279 CB ALA A 21 -2.030 -4.092 0.893 1.00 0.00 C ATOM 0 H ALA A 21 -0.569 -4.779 3.231 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.409 -4.596 2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.685 -4.428 0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.160 -3.020 1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.993 -4.298 0.626 1.00 0.00 H new ATOM 285 N ASP A 22 -3.233 -6.890 1.222 1.00 0.00 N ATOM 286 CA ASP A 22 -3.252 -8.322 0.944 1.00 0.00 C ATOM 287 C ASP A 22 -2.672 -8.615 -0.436 1.00 0.00 C ATOM 288 O ASP A 22 -3.098 -8.038 -1.436 1.00 0.00 O ATOM 289 CB ASP A 22 -4.680 -8.862 1.036 1.00 0.00 C ATOM 290 CG ASP A 22 -5.047 -9.291 2.443 1.00 0.00 C ATOM 291 OD1 ASP A 22 -4.476 -8.731 3.402 1.00 0.00 O ATOM 292 OD2 ASP A 22 -5.904 -10.188 2.585 1.00 0.00 O ATOM 0 H ASP A 22 -4.002 -6.368 0.801 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.635 -8.821 1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.378 -8.095 0.699 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.789 -9.711 0.361 1.00 0.00 H new ATOM 297 N LEU A 23 -1.696 -9.516 -0.482 1.00 0.00 N ATOM 298 CA LEU A 23 -1.056 -9.886 -1.739 1.00 0.00 C ATOM 299 C LEU A 23 -1.313 -11.353 -2.071 1.00 0.00 C ATOM 300 O LEU A 23 -1.151 -12.229 -1.222 1.00 0.00 O ATOM 301 CB LEU A 23 0.450 -9.626 -1.664 1.00 0.00 C ATOM 302 CG LEU A 23 1.170 -9.459 -3.002 1.00 0.00 C ATOM 303 CD1 LEU A 23 1.486 -10.816 -3.611 1.00 0.00 C ATOM 304 CD2 LEU A 23 0.330 -8.625 -3.959 1.00 0.00 C ATOM 0 H LEU A 23 -1.331 -10.003 0.336 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.486 -9.272 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.614 -8.726 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.914 -10.452 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 23 2.110 -8.936 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.998 -10.677 -4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.127 -11.379 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.559 -11.366 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.858 -8.516 -4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.626 -9.121 -4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.155 -7.640 -3.526 1.00 0.00 H new ATOM 316 N ALA A 24 -1.714 -11.612 -3.311 1.00 0.00 N ATOM 317 CA ALA A 24 -1.990 -12.972 -3.756 1.00 0.00 C ATOM 318 C ALA A 24 -0.697 -13.734 -4.027 1.00 0.00 C ATOM 319 O ALA A 24 0.077 -13.366 -4.909 1.00 0.00 O ATOM 320 CB ALA A 24 -2.865 -12.954 -5.001 1.00 0.00 C ATOM 0 H ALA A 24 -1.855 -10.898 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.524 -13.487 -2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.063 -13.977 -5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.808 -12.456 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.352 -12.417 -5.799 1.00 0.00 H new ATOM 326 N GLU A 25 -0.471 -14.797 -3.262 1.00 0.00 N ATOM 327 CA GLU A 25 0.730 -15.609 -3.420 1.00 0.00 C ATOM 328 C GLU A 25 0.950 -15.976 -4.885 1.00 0.00 C ATOM 329 O GLU A 25 2.084 -16.152 -5.327 1.00 0.00 O ATOM 330 CB GLU A 25 0.628 -16.881 -2.574 1.00 0.00 C ATOM 331 CG GLU A 25 -0.343 -17.907 -3.133 1.00 0.00 C ATOM 332 CD GLU A 25 -1.666 -17.293 -3.549 1.00 0.00 C ATOM 333 OE1 GLU A 25 -2.201 -16.464 -2.783 1.00 0.00 O ATOM 334 OE2 GLU A 25 -2.166 -17.642 -4.639 1.00 0.00 O ATOM 0 H GLU A 25 -1.103 -15.116 -2.527 1.00 0.00 H new ATOM 0 HA GLU A 25 1.582 -15.021 -3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.616 -17.334 -2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.318 -16.612 -1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.111 -18.400 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.524 -18.677 -2.383 1.00 0.00 H new ATOM 341 N ASN A 26 -0.144 -16.090 -5.631 1.00 0.00 N ATOM 342 CA ASN A 26 -0.071 -16.436 -7.045 1.00 0.00 C ATOM 343 C ASN A 26 -0.429 -15.237 -7.918 1.00 0.00 C ATOM 344 O ASN A 26 -1.196 -15.358 -8.873 1.00 0.00 O ATOM 345 CB ASN A 26 -1.010 -17.604 -7.354 1.00 0.00 C ATOM 346 CG ASN A 26 -1.031 -17.955 -8.830 1.00 0.00 C ATOM 347 OD1 ASN A 26 0.015 -18.178 -9.441 1.00 0.00 O ATOM 348 ND2 ASN A 26 -2.224 -18.005 -9.409 1.00 0.00 N ATOM 0 H ASN A 26 -1.091 -15.948 -5.280 1.00 0.00 H new ATOM 0 HA ASN A 26 0.954 -16.732 -7.269 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.700 -18.477 -6.780 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.019 -17.351 -7.029 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.301 -18.236 -10.400 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.064 -17.813 -8.863 1.00 0.00 H new ATOM 355 N SER A 27 0.134 -14.080 -7.585 1.00 0.00 N ATOM 356 CA SER A 27 -0.127 -12.858 -8.336 1.00 0.00 C ATOM 357 C SER A 27 0.933 -12.645 -9.412 1.00 0.00 C ATOM 358 O SER A 27 2.121 -12.529 -9.114 1.00 0.00 O ATOM 359 CB SER A 27 -0.163 -11.653 -7.394 1.00 0.00 C ATOM 360 OG SER A 27 1.105 -11.431 -6.802 1.00 0.00 O ATOM 0 H SER A 27 0.774 -13.963 -6.800 1.00 0.00 H new ATOM 0 HA SER A 27 -1.098 -12.960 -8.822 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.471 -10.765 -7.946 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.908 -11.818 -6.615 1.00 0.00 H new ATOM 0 HG SER A 27 1.800 -11.852 -7.350 1.00 0.00 H new ATOM 366 N ALA A 28 0.492 -12.595 -10.665 1.00 0.00 N ATOM 367 CA ALA A 28 1.401 -12.394 -11.787 1.00 0.00 C ATOM 368 C ALA A 28 2.462 -11.349 -11.454 1.00 0.00 C ATOM 369 O ALA A 28 2.322 -10.566 -10.514 1.00 0.00 O ATOM 370 CB ALA A 28 0.624 -11.982 -13.029 1.00 0.00 C ATOM 0 H ALA A 28 -0.489 -12.691 -10.928 1.00 0.00 H new ATOM 0 HA ALA A 28 1.908 -13.338 -11.985 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.315 -11.835 -13.859 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.091 -12.763 -13.286 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.091 -11.052 -12.833 1.00 0.00 H new ATOM 376 N PRO A 29 3.548 -11.336 -12.240 1.00 0.00 N ATOM 377 CA PRO A 29 4.653 -10.393 -12.048 1.00 0.00 C ATOM 378 C PRO A 29 4.261 -8.961 -12.399 1.00 0.00 C ATOM 379 O PRO A 29 5.110 -8.073 -12.462 1.00 0.00 O ATOM 380 CB PRO A 29 5.728 -10.904 -13.011 1.00 0.00 C ATOM 381 CG PRO A 29 4.973 -11.636 -14.066 1.00 0.00 C ATOM 382 CD PRO A 29 3.780 -12.241 -13.379 1.00 0.00 C ATOM 0 HA PRO A 29 4.977 -10.352 -11.008 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.304 -10.081 -13.435 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.435 -11.560 -12.503 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.663 -10.961 -14.863 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.592 -12.407 -14.524 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.915 -12.285 -14.040 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.980 -13.260 -13.048 1.00 0.00 H new ATOM 390 N GLY A 30 2.969 -8.745 -12.626 1.00 0.00 N ATOM 391 CA GLY A 30 2.488 -7.419 -12.967 1.00 0.00 C ATOM 392 C GLY A 30 1.299 -7.000 -12.126 1.00 0.00 C ATOM 393 O GLY A 30 0.922 -5.827 -12.109 1.00 0.00 O ATOM 0 H GLY A 30 2.247 -9.464 -12.580 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.295 -6.698 -12.835 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.210 -7.397 -14.021 1.00 0.00 H new ATOM 397 N THR A 31 0.703 -7.960 -11.426 1.00 0.00 N ATOM 398 CA THR A 31 -0.453 -7.685 -10.581 1.00 0.00 C ATOM 399 C THR A 31 -0.203 -6.480 -9.683 1.00 0.00 C ATOM 400 O THR A 31 0.740 -6.449 -8.892 1.00 0.00 O ATOM 401 CB THR A 31 -0.809 -8.900 -9.704 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.136 -10.023 -10.530 1.00 0.00 O ATOM 403 CG2 THR A 31 -1.980 -8.581 -8.787 1.00 0.00 C ATOM 0 H THR A 31 1.002 -8.935 -11.427 1.00 0.00 H new ATOM 0 HA THR A 31 -1.288 -7.470 -11.248 1.00 0.00 H new ATOM 0 HB THR A 31 0.058 -9.142 -9.090 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.359 -10.791 -9.964 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.213 -9.454 -8.177 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.717 -7.745 -8.138 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.850 -8.315 -9.387 1.00 0.00 H new ATOM 411 N PRO A 32 -1.067 -5.461 -9.804 1.00 0.00 N ATOM 412 CA PRO A 32 -0.961 -4.234 -9.009 1.00 0.00 C ATOM 413 C PRO A 32 -1.289 -4.466 -7.539 1.00 0.00 C ATOM 414 O PRO A 32 -2.167 -5.263 -7.207 1.00 0.00 O ATOM 415 CB PRO A 32 -1.997 -3.306 -9.649 1.00 0.00 C ATOM 416 CG PRO A 32 -2.991 -4.223 -10.275 1.00 0.00 C ATOM 417 CD PRO A 32 -2.215 -5.429 -10.726 1.00 0.00 C ATOM 0 HA PRO A 32 0.052 -3.831 -9.013 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.466 -2.663 -8.904 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.538 -2.653 -10.391 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.767 -4.502 -9.562 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.489 -3.742 -11.117 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.811 -6.339 -10.657 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.894 -5.336 -11.764 1.00 0.00 H new ATOM 425 N ILE A 33 -0.580 -3.764 -6.661 1.00 0.00 N ATOM 426 CA ILE A 33 -0.798 -3.893 -5.226 1.00 0.00 C ATOM 427 C ILE A 33 -1.533 -2.678 -4.670 1.00 0.00 C ATOM 428 O ILE A 33 -2.693 -2.771 -4.266 1.00 0.00 O ATOM 429 CB ILE A 33 0.532 -4.066 -4.468 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.275 -5.304 -4.974 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.279 -4.169 -2.971 1.00 0.00 C ATOM 432 CD1 ILE A 33 2.734 -5.338 -4.573 1.00 0.00 C ATOM 0 H ILE A 33 0.150 -3.100 -6.919 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.409 -4.783 -5.078 1.00 0.00 H new ATOM 0 HB ILE A 33 1.155 -3.191 -4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.780 -6.197 -4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.204 -5.342 -6.061 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.228 -4.291 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.213 -3.261 -2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.360 -5.029 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.198 -6.243 -4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.243 -4.464 -4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.813 -5.332 -3.486 1.00 0.00 H new ATOM 444 N LEU A 34 -0.851 -1.538 -4.653 1.00 0.00 N ATOM 445 CA LEU A 34 -1.439 -0.302 -4.148 1.00 0.00 C ATOM 446 C LEU A 34 -0.528 0.889 -4.428 1.00 0.00 C ATOM 447 O LEU A 34 0.675 0.727 -4.632 1.00 0.00 O ATOM 448 CB LEU A 34 -1.703 -0.416 -2.646 1.00 0.00 C ATOM 449 CG LEU A 34 -0.473 -0.638 -1.764 1.00 0.00 C ATOM 450 CD1 LEU A 34 0.288 0.664 -1.571 1.00 0.00 C ATOM 451 CD2 LEU A 34 -0.880 -1.225 -0.420 1.00 0.00 C ATOM 0 H LEU A 34 0.110 -1.444 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.385 -0.141 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.203 0.494 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.397 -1.240 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 34 0.186 -1.348 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.160 0.486 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.612 1.043 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.361 1.398 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.007 -1.376 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.559 -0.539 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.380 -2.181 -0.577 1.00 0.00 H new ATOM 463 N GLN A 35 -1.109 2.084 -4.433 1.00 0.00 N ATOM 464 CA GLN A 35 -0.349 3.302 -4.686 1.00 0.00 C ATOM 465 C GLN A 35 -0.214 4.133 -3.415 1.00 0.00 C ATOM 466 O GLN A 35 -1.178 4.745 -2.955 1.00 0.00 O ATOM 467 CB GLN A 35 -1.021 4.130 -5.782 1.00 0.00 C ATOM 468 CG GLN A 35 -0.559 5.578 -5.821 1.00 0.00 C ATOM 469 CD GLN A 35 -0.581 6.160 -7.221 1.00 0.00 C ATOM 470 OE1 GLN A 35 0.353 5.968 -8.000 1.00 0.00 O ATOM 471 NE2 GLN A 35 -1.650 6.876 -7.548 1.00 0.00 N ATOM 0 H GLN A 35 -2.104 2.235 -4.265 1.00 0.00 H new ATOM 0 HA GLN A 35 0.649 3.015 -5.018 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.822 3.668 -6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.101 4.106 -5.634 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.198 6.177 -5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.452 5.644 -5.420 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.401 7.010 -6.871 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.720 7.292 -8.476 1.00 0.00 H new ATOM 480 N LEU A 36 0.989 4.150 -2.850 1.00 0.00 N ATOM 481 CA LEU A 36 1.251 4.906 -1.630 1.00 0.00 C ATOM 482 C LEU A 36 0.829 6.363 -1.792 1.00 0.00 C ATOM 483 O LEU A 36 1.158 7.008 -2.787 1.00 0.00 O ATOM 484 CB LEU A 36 2.735 4.830 -1.268 1.00 0.00 C ATOM 485 CG LEU A 36 3.347 3.429 -1.235 1.00 0.00 C ATOM 486 CD1 LEU A 36 4.863 3.507 -1.331 1.00 0.00 C ATOM 487 CD2 LEU A 36 2.927 2.694 0.030 1.00 0.00 C ATOM 0 H LEU A 36 1.798 3.649 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 36 0.664 4.464 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.294 5.432 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.874 5.288 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 36 2.978 2.871 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.281 2.501 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.144 3.994 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.252 4.083 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.371 1.699 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.267 3.250 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.841 2.606 0.056 1.00 0.00 H new ATOM 499 N ARG A 37 0.100 6.875 -0.806 1.00 0.00 N ATOM 500 CA ARG A 37 -0.366 8.256 -0.838 1.00 0.00 C ATOM 501 C ARG A 37 0.159 9.036 0.364 1.00 0.00 C ATOM 502 O ARG A 37 0.409 8.465 1.425 1.00 0.00 O ATOM 503 CB ARG A 37 -1.895 8.301 -0.859 1.00 0.00 C ATOM 504 CG ARG A 37 -2.493 8.068 -2.237 1.00 0.00 C ATOM 505 CD ARG A 37 -4.000 8.267 -2.232 1.00 0.00 C ATOM 506 NE ARG A 37 -4.513 8.603 -3.557 1.00 0.00 N ATOM 507 CZ ARG A 37 -5.765 8.380 -3.939 1.00 0.00 C ATOM 508 NH1 ARG A 37 -6.629 7.824 -3.100 1.00 0.00 N ATOM 509 NH2 ARG A 37 -6.157 8.714 -5.162 1.00 0.00 N ATOM 0 H ARG A 37 -0.181 6.354 0.025 1.00 0.00 H new ATOM 0 HA ARG A 37 0.017 8.720 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.282 7.548 -0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.227 9.271 -0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.037 8.752 -2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.260 7.057 -2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.484 7.358 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.258 9.061 -1.531 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.874 9.033 -4.226 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.332 7.567 -2.159 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.590 7.654 -3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.496 9.143 -5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.119 8.542 -5.454 1.00 0.00 H new ATOM 697 N TYR A 51 8.604 8.348 -3.902 1.00 0.00 N ATOM 698 CA TYR A 51 8.362 7.121 -3.154 1.00 0.00 C ATOM 699 C TYR A 51 9.370 6.041 -3.537 1.00 0.00 C ATOM 700 O TYR A 51 9.045 5.102 -4.264 1.00 0.00 O ATOM 701 CB TYR A 51 6.939 6.618 -3.405 1.00 0.00 C ATOM 702 CG TYR A 51 5.907 7.722 -3.456 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.660 8.414 -4.635 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.180 8.074 -2.325 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.719 9.424 -4.687 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.236 9.081 -2.368 1.00 0.00 C ATOM 707 CZ TYR A 51 4.009 9.754 -3.551 1.00 0.00 C ATOM 708 OH TYR A 51 3.071 10.759 -3.597 1.00 0.00 O ATOM 0 HA TYR A 51 8.480 7.343 -2.093 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.918 6.068 -4.346 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.667 5.914 -2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.213 8.158 -5.526 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.356 7.551 -1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.540 9.952 -5.612 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.678 9.340 -1.480 1.00 0.00 H new ATOM 0 HH TYR A 51 2.661 10.864 -2.713 1.00 0.00 H new ATOM 718 N VAL A 52 10.595 6.182 -3.043 1.00 0.00 N ATOM 719 CA VAL A 52 11.652 5.220 -3.331 1.00 0.00 C ATOM 720 C VAL A 52 11.701 4.124 -2.271 1.00 0.00 C ATOM 721 O VAL A 52 10.962 4.164 -1.287 1.00 0.00 O ATOM 722 CB VAL A 52 13.029 5.904 -3.410 1.00 0.00 C ATOM 723 CG1 VAL A 52 13.092 6.839 -4.608 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.325 6.656 -2.121 1.00 0.00 C ATOM 0 H VAL A 52 10.881 6.954 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 52 11.420 4.776 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 52 13.791 5.135 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.072 7.314 -4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.927 6.270 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.322 7.605 -4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.302 7.133 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.561 7.416 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.324 5.958 -1.284 1.00 0.00 H new ATOM 734 N PHE A 53 12.577 3.147 -2.479 1.00 0.00 N ATOM 735 CA PHE A 53 12.723 2.039 -1.542 1.00 0.00 C ATOM 736 C PHE A 53 13.597 2.441 -0.357 1.00 0.00 C ATOM 737 O PHE A 53 14.820 2.316 -0.403 1.00 0.00 O ATOM 738 CB PHE A 53 13.328 0.823 -2.247 1.00 0.00 C ATOM 739 CG PHE A 53 12.301 -0.106 -2.826 1.00 0.00 C ATOM 740 CD1 PHE A 53 11.205 -0.502 -2.077 1.00 0.00 C ATOM 741 CD2 PHE A 53 12.431 -0.584 -4.120 1.00 0.00 C ATOM 742 CE1 PHE A 53 10.257 -1.357 -2.608 1.00 0.00 C ATOM 743 CE2 PHE A 53 11.487 -1.439 -4.656 1.00 0.00 C ATOM 744 CZ PHE A 53 10.399 -1.827 -3.898 1.00 0.00 C ATOM 0 H PHE A 53 13.197 3.100 -3.288 1.00 0.00 H new ATOM 0 HA PHE A 53 11.733 1.778 -1.169 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.987 1.166 -3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.946 0.272 -1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.090 -0.139 -1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 53 13.280 -0.285 -4.717 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.406 -1.657 -2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.600 -1.804 -5.666 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.661 -2.497 -4.314 1.00 0.00 H new ATOM 754 N GLY A 54 12.958 2.926 0.704 1.00 0.00 N ATOM 755 CA GLY A 54 13.692 3.340 1.886 1.00 0.00 C ATOM 756 C GLY A 54 14.512 2.213 2.483 1.00 0.00 C ATOM 757 O GLY A 54 15.741 2.240 2.438 1.00 0.00 O ATOM 0 H GLY A 54 11.946 3.039 0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.352 4.169 1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.991 3.711 2.634 1.00 0.00 H new ATOM 761 N ALA A 55 13.829 1.221 3.046 1.00 0.00 N ATOM 762 CA ALA A 55 14.502 0.081 3.655 1.00 0.00 C ATOM 763 C ALA A 55 14.028 -1.230 3.038 1.00 0.00 C ATOM 764 O ALA A 55 13.190 -1.928 3.608 1.00 0.00 O ATOM 765 CB ALA A 55 14.271 0.072 5.159 1.00 0.00 C ATOM 0 H ALA A 55 12.811 1.184 3.093 1.00 0.00 H new ATOM 0 HA ALA A 55 15.571 0.178 3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.780 -0.785 5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.665 0.991 5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.202 0.004 5.363 1.00 0.00 H new ATOM 771 N ALA A 56 14.569 -1.558 1.869 1.00 0.00 N ATOM 772 CA ALA A 56 14.202 -2.786 1.175 1.00 0.00 C ATOM 773 C ALA A 56 15.398 -3.724 1.049 1.00 0.00 C ATOM 774 O ALA A 56 16.525 -3.360 1.386 1.00 0.00 O ATOM 775 CB ALA A 56 13.633 -2.466 -0.199 1.00 0.00 C ATOM 0 H ALA A 56 15.263 -0.990 1.383 1.00 0.00 H new ATOM 0 HA ALA A 56 13.437 -3.292 1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.363 -3.392 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.747 -1.841 -0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 56 14.381 -1.935 -0.788 1.00 0.00 H new ATOM 781 N THR A 57 15.146 -4.935 0.561 1.00 0.00 N ATOM 782 CA THR A 57 16.201 -5.926 0.392 1.00 0.00 C ATOM 783 C THR A 57 16.433 -6.236 -1.082 1.00 0.00 C ATOM 784 O THR A 57 15.715 -5.740 -1.950 1.00 0.00 O ATOM 785 CB THR A 57 15.867 -7.234 1.134 1.00 0.00 C ATOM 786 OG1 THR A 57 14.792 -7.911 0.473 1.00 0.00 O ATOM 787 CG2 THR A 57 15.485 -6.954 2.579 1.00 0.00 C ATOM 0 H THR A 57 14.220 -5.253 0.276 1.00 0.00 H new ATOM 0 HA THR A 57 17.108 -5.497 0.817 1.00 0.00 H new ATOM 0 HB THR A 57 16.754 -7.867 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 57 14.692 -8.811 0.849 1.00 0.00 H new ATOM 0 HG21 THR A 57 15.253 -7.893 3.083 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.316 -6.465 3.087 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.611 -6.303 2.605 1.00 0.00 H new ATOM 795 N GLU A 58 17.439 -7.060 -1.358 1.00 0.00 N ATOM 796 CA GLU A 58 17.765 -7.435 -2.729 1.00 0.00 C ATOM 797 C GLU A 58 16.683 -8.336 -3.317 1.00 0.00 C ATOM 798 O GLU A 58 16.365 -8.249 -4.503 1.00 0.00 O ATOM 799 CB GLU A 58 19.119 -8.146 -2.778 1.00 0.00 C ATOM 800 CG GLU A 58 20.303 -7.214 -2.584 1.00 0.00 C ATOM 801 CD GLU A 58 20.172 -5.930 -3.380 1.00 0.00 C ATOM 802 OE1 GLU A 58 20.122 -6.007 -4.625 1.00 0.00 O ATOM 803 OE2 GLU A 58 20.119 -4.849 -2.758 1.00 0.00 O ATOM 0 H GLU A 58 18.042 -7.480 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 58 17.819 -6.524 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.144 -8.916 -2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 58 19.219 -8.652 -3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 58 20.401 -6.972 -1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 58 21.218 -7.728 -2.879 1.00 0.00 H new ATOM 810 N SER A 59 16.122 -9.203 -2.480 1.00 0.00 N ATOM 811 CA SER A 59 15.079 -10.123 -2.917 1.00 0.00 C ATOM 812 C SER A 59 13.764 -9.385 -3.148 1.00 0.00 C ATOM 813 O SER A 59 12.994 -9.731 -4.044 1.00 0.00 O ATOM 814 CB SER A 59 14.880 -11.231 -1.881 1.00 0.00 C ATOM 815 OG SER A 59 16.071 -11.975 -1.694 1.00 0.00 O ATOM 0 H SER A 59 16.373 -9.287 -1.495 1.00 0.00 H new ATOM 0 HA SER A 59 15.395 -10.569 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.568 -10.794 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.079 -11.896 -2.205 1.00 0.00 H new ATOM 0 HG SER A 59 15.918 -12.675 -1.026 1.00 0.00 H new ATOM 821 N VAL A 60 13.515 -8.365 -2.333 1.00 0.00 N ATOM 822 CA VAL A 60 12.294 -7.575 -2.448 1.00 0.00 C ATOM 823 C VAL A 60 12.401 -6.560 -3.580 1.00 0.00 C ATOM 824 O VAL A 60 11.642 -6.611 -4.548 1.00 0.00 O ATOM 825 CB VAL A 60 11.980 -6.833 -1.135 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.741 -5.966 -1.295 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.805 -7.823 0.007 1.00 0.00 C ATOM 0 H VAL A 60 14.142 -8.066 -1.586 1.00 0.00 H new ATOM 0 HA VAL A 60 11.485 -8.272 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 60 12.821 -6.182 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.535 -5.450 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.909 -5.233 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.890 -6.593 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.584 -7.282 0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.983 -8.501 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.723 -8.396 0.135 1.00 0.00 H new ATOM 837 N ARG A 61 13.349 -5.637 -3.453 1.00 0.00 N ATOM 838 CA ARG A 61 13.556 -4.608 -4.465 1.00 0.00 C ATOM 839 C ARG A 61 13.425 -5.193 -5.868 1.00 0.00 C ATOM 840 O ARG A 61 13.120 -4.478 -6.823 1.00 0.00 O ATOM 841 CB ARG A 61 14.933 -3.965 -4.295 1.00 0.00 C ATOM 842 CG ARG A 61 16.086 -4.943 -4.448 1.00 0.00 C ATOM 843 CD ARG A 61 16.566 -5.018 -5.889 1.00 0.00 C ATOM 844 NE ARG A 61 17.729 -5.890 -6.034 1.00 0.00 N ATOM 845 CZ ARG A 61 18.526 -5.881 -7.096 1.00 0.00 C ATOM 846 NH1 ARG A 61 18.288 -5.049 -8.101 1.00 0.00 N ATOM 847 NH2 ARG A 61 19.565 -6.704 -7.154 1.00 0.00 N ATOM 0 H ARG A 61 13.986 -5.581 -2.659 1.00 0.00 H new ATOM 0 HA ARG A 61 12.789 -3.845 -4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.045 -3.167 -5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.989 -3.502 -3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 61 16.911 -4.638 -3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.772 -5.933 -4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.757 -5.384 -6.522 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.817 -4.017 -6.240 1.00 0.00 H new ATOM 0 HE ARG A 61 17.940 -6.541 -5.278 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.491 -4.414 -8.059 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.902 -5.044 -8.916 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.752 -7.344 -6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.177 -6.696 -7.970 1.00 0.00 H new ATOM 861 N ARG A 62 13.659 -6.496 -5.985 1.00 0.00 N ATOM 862 CA ARG A 62 13.569 -7.176 -7.272 1.00 0.00 C ATOM 863 C ARG A 62 12.233 -7.899 -7.412 1.00 0.00 C ATOM 864 O ARG A 62 11.715 -8.059 -8.518 1.00 0.00 O ATOM 865 CB ARG A 62 14.720 -8.172 -7.427 1.00 0.00 C ATOM 866 CG ARG A 62 14.574 -9.412 -6.560 1.00 0.00 C ATOM 867 CD ARG A 62 15.742 -10.366 -6.750 1.00 0.00 C ATOM 868 NE ARG A 62 15.828 -10.860 -8.122 1.00 0.00 N ATOM 869 CZ ARG A 62 16.422 -12.000 -8.457 1.00 0.00 C ATOM 870 NH1 ARG A 62 16.979 -12.759 -7.524 1.00 0.00 N ATOM 871 NH2 ARG A 62 16.459 -12.382 -9.727 1.00 0.00 N ATOM 0 H ARG A 62 13.912 -7.102 -5.205 1.00 0.00 H new ATOM 0 HA ARG A 62 13.639 -6.425 -8.058 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.788 -8.476 -8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.657 -7.673 -7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.509 -9.119 -5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.643 -9.922 -6.807 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.671 -9.859 -6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.636 -11.209 -6.067 1.00 0.00 H new ATOM 0 HE ARG A 62 15.409 -10.299 -8.864 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.952 -12.468 -6.547 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.435 -13.634 -7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.031 -11.800 -10.447 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.915 -13.258 -9.983 1.00 0.00 H new ATOM 885 N LEU A 63 11.681 -8.335 -6.286 1.00 0.00 N ATOM 886 CA LEU A 63 10.405 -9.042 -6.283 1.00 0.00 C ATOM 887 C LEU A 63 9.251 -8.084 -6.559 1.00 0.00 C ATOM 888 O LEU A 63 8.324 -8.410 -7.302 1.00 0.00 O ATOM 889 CB LEU A 63 10.191 -9.743 -4.940 1.00 0.00 C ATOM 890 CG LEU A 63 8.793 -10.310 -4.694 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.417 -11.298 -5.788 1.00 0.00 C ATOM 892 CD2 LEU A 63 8.719 -10.973 -3.326 1.00 0.00 C ATOM 0 H LEU A 63 12.097 -8.212 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 63 10.430 -9.789 -7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.911 -10.557 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.420 -9.035 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 63 8.079 -9.486 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.419 -11.691 -5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.428 -10.793 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.134 -12.119 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.717 -11.371 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.444 -11.785 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.943 -10.238 -2.553 1.00 0.00 H new ATOM 904 N LEU A 64 9.314 -6.901 -5.958 1.00 0.00 N ATOM 905 CA LEU A 64 8.275 -5.893 -6.141 1.00 0.00 C ATOM 906 C LEU A 64 8.848 -4.629 -6.772 1.00 0.00 C ATOM 907 O LEU A 64 9.981 -4.239 -6.487 1.00 0.00 O ATOM 908 CB LEU A 64 7.622 -5.557 -4.799 1.00 0.00 C ATOM 909 CG LEU A 64 7.087 -6.743 -3.997 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.219 -6.482 -2.505 1.00 0.00 C ATOM 911 CD2 LEU A 64 5.637 -7.024 -4.364 1.00 0.00 C ATOM 0 H LEU A 64 10.074 -6.616 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 64 7.520 -6.302 -6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.351 -5.029 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.799 -4.866 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 64 7.681 -7.622 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.833 -7.337 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.269 -6.330 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.650 -5.591 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.272 -7.871 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.030 -6.146 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.569 -7.256 -5.427 1.00 0.00 H new ATOM 923 N ARG A 65 8.058 -3.991 -7.630 1.00 0.00 N ATOM 924 CA ARG A 65 8.487 -2.770 -8.300 1.00 0.00 C ATOM 925 C ARG A 65 7.737 -1.558 -7.755 1.00 0.00 C ATOM 926 O ARG A 65 6.505 -1.529 -7.745 1.00 0.00 O ATOM 927 CB ARG A 65 8.261 -2.885 -9.809 1.00 0.00 C ATOM 928 CG ARG A 65 8.740 -1.672 -10.591 1.00 0.00 C ATOM 929 CD ARG A 65 10.236 -1.733 -10.853 1.00 0.00 C ATOM 930 NE ARG A 65 11.013 -1.620 -9.622 1.00 0.00 N ATOM 931 CZ ARG A 65 12.267 -2.042 -9.502 1.00 0.00 C ATOM 932 NH1 ARG A 65 12.882 -2.602 -10.534 1.00 0.00 N ATOM 933 NH2 ARG A 65 12.907 -1.903 -8.348 1.00 0.00 N ATOM 0 H ARG A 65 7.118 -4.300 -7.877 1.00 0.00 H new ATOM 0 HA ARG A 65 9.551 -2.635 -8.107 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.776 -3.772 -10.178 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.198 -3.032 -9.998 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.206 -1.615 -11.539 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.503 -0.764 -10.037 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.479 -2.672 -11.350 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.518 -0.930 -11.534 1.00 0.00 H new ATOM 0 HE ARG A 65 10.568 -1.193 -8.809 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.392 -2.710 -11.422 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.845 -2.925 -10.440 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.436 -1.472 -7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.870 -2.227 -8.256 1.00 0.00 H new ATOM 947 N LEU A 66 8.487 -0.560 -7.301 1.00 0.00 N ATOM 948 CA LEU A 66 7.893 0.655 -6.753 1.00 0.00 C ATOM 949 C LEU A 66 8.261 1.870 -7.599 1.00 0.00 C ATOM 950 O LEU A 66 9.350 1.934 -8.171 1.00 0.00 O ATOM 951 CB LEU A 66 8.354 0.865 -5.310 1.00 0.00 C ATOM 952 CG LEU A 66 8.046 2.232 -4.699 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.554 2.380 -4.446 1.00 0.00 C ATOM 954 CD2 LEU A 66 8.829 2.429 -3.409 1.00 0.00 C ATOM 0 H LEU A 66 9.507 -0.568 -7.301 1.00 0.00 H new ATOM 0 HA LEU A 66 6.809 0.540 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.892 0.099 -4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.431 0.705 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 66 8.352 3.002 -5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.354 3.359 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.014 2.284 -5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.223 1.603 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.597 3.407 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.555 1.653 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.897 2.368 -3.619 1.00 0.00 H new ATOM 966 N ASP A 67 7.349 2.833 -7.670 1.00 0.00 N ATOM 967 CA ASP A 67 7.578 4.048 -8.443 1.00 0.00 C ATOM 968 C ASP A 67 7.762 5.251 -7.523 1.00 0.00 C ATOM 969 O ASP A 67 7.576 5.150 -6.310 1.00 0.00 O ATOM 970 CB ASP A 67 6.413 4.297 -9.401 1.00 0.00 C ATOM 971 CG ASP A 67 6.538 3.500 -10.685 1.00 0.00 C ATOM 972 OD1 ASP A 67 7.591 3.606 -11.349 1.00 0.00 O ATOM 973 OD2 ASP A 67 5.584 2.770 -11.025 1.00 0.00 O ATOM 0 H ASP A 67 6.444 2.796 -7.201 1.00 0.00 H new ATOM 0 HA ASP A 67 8.491 3.913 -9.022 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.477 4.038 -8.906 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.364 5.359 -9.640 1.00 0.00 H new ATOM 978 N GLU A 68 8.128 6.387 -8.107 1.00 0.00 N ATOM 979 CA GLU A 68 8.338 7.608 -7.338 1.00 0.00 C ATOM 980 C GLU A 68 7.543 8.767 -7.930 1.00 0.00 C ATOM 981 O GLU A 68 7.114 9.672 -7.213 1.00 0.00 O ATOM 982 CB GLU A 68 9.826 7.963 -7.300 1.00 0.00 C ATOM 983 CG GLU A 68 10.304 8.716 -8.530 1.00 0.00 C ATOM 984 CD GLU A 68 10.059 7.949 -9.815 1.00 0.00 C ATOM 985 OE1 GLU A 68 10.343 6.733 -9.845 1.00 0.00 O ATOM 986 OE2 GLU A 68 9.582 8.565 -10.791 1.00 0.00 O ATOM 0 H GLU A 68 8.285 6.488 -9.110 1.00 0.00 H new ATOM 0 HA GLU A 68 7.987 7.431 -6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.024 8.567 -6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.407 7.047 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.795 9.678 -8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.370 8.924 -8.433 1.00 0.00 H new ATOM 993 N THR A 69 7.349 8.734 -9.245 1.00 0.00 N ATOM 994 CA THR A 69 6.607 9.782 -9.935 1.00 0.00 C ATOM 995 C THR A 69 5.110 9.659 -9.673 1.00 0.00 C ATOM 996 O THR A 69 4.372 10.640 -9.764 1.00 0.00 O ATOM 997 CB THR A 69 6.856 9.739 -11.454 1.00 0.00 C ATOM 998 OG1 THR A 69 6.082 10.753 -12.106 1.00 0.00 O ATOM 999 CG2 THR A 69 6.496 8.375 -12.024 1.00 0.00 C ATOM 0 H THR A 69 7.696 7.992 -9.854 1.00 0.00 H new ATOM 0 HA THR A 69 6.965 10.734 -9.542 1.00 0.00 H new ATOM 0 HB THR A 69 7.916 9.921 -11.631 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.247 10.720 -13.071 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.680 8.369 -13.098 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.107 7.609 -11.547 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.442 8.169 -11.836 1.00 0.00 H new ATOM 1007 N SER A 70 4.668 8.448 -9.347 1.00 0.00 N ATOM 1008 CA SER A 70 3.258 8.197 -9.075 1.00 0.00 C ATOM 1009 C SER A 70 3.086 7.428 -7.769 1.00 0.00 C ATOM 1010 O SER A 70 2.091 7.594 -7.064 1.00 0.00 O ATOM 1011 CB SER A 70 2.626 7.415 -10.228 1.00 0.00 C ATOM 1012 OG SER A 70 3.189 6.119 -10.334 1.00 0.00 O ATOM 0 H SER A 70 5.266 7.626 -9.265 1.00 0.00 H new ATOM 0 HA SER A 70 2.754 9.159 -8.979 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.550 7.336 -10.071 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.773 7.956 -11.163 1.00 0.00 H new ATOM 0 HG SER A 70 2.875 5.692 -11.158 1.00 0.00 H new ATOM 1018 N GLY A 71 4.064 6.584 -7.452 1.00 0.00 N ATOM 1019 CA GLY A 71 4.002 5.802 -6.232 1.00 0.00 C ATOM 1020 C GLY A 71 3.145 4.560 -6.382 1.00 0.00 C ATOM 1021 O GLY A 71 2.471 4.146 -5.439 1.00 0.00 O ATOM 0 H GLY A 71 4.898 6.429 -8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.011 5.510 -5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.603 6.420 -5.428 1.00 0.00 H new ATOM 1025 N TRP A 72 3.170 3.967 -7.570 1.00 0.00 N ATOM 1026 CA TRP A 72 2.388 2.766 -7.840 1.00 0.00 C ATOM 1027 C TRP A 72 3.176 1.511 -7.483 1.00 0.00 C ATOM 1028 O TRP A 72 4.159 1.174 -8.143 1.00 0.00 O ATOM 1029 CB TRP A 72 1.975 2.722 -9.313 1.00 0.00 C ATOM 1030 CG TRP A 72 0.622 3.313 -9.568 1.00 0.00 C ATOM 1031 CD1 TRP A 72 0.352 4.541 -10.103 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -0.645 2.704 -9.298 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -1.007 4.730 -10.182 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -1.640 3.618 -9.695 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -1.035 1.474 -8.762 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -2.999 3.339 -9.570 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.384 1.199 -8.638 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.352 2.127 -9.042 1.00 0.00 C ATOM 0 H TRP A 72 3.723 4.298 -8.361 1.00 0.00 H new ATOM 0 HA TRP A 72 1.493 2.799 -7.219 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.715 3.258 -9.907 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.982 1.687 -9.654 1.00 0.00 H new ATOM 0 HD1 TRP A 72 1.097 5.257 -10.417 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.469 5.564 -10.545 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.296 0.751 -8.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -3.747 4.054 -9.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.697 0.252 -8.223 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.398 1.881 -8.935 1.00 0.00 H new ATOM 1049 N LEU A 73 2.739 0.822 -6.434 1.00 0.00 N ATOM 1050 CA LEU A 73 3.404 -0.398 -5.989 1.00 0.00 C ATOM 1051 C LEU A 73 2.707 -1.634 -6.548 1.00 0.00 C ATOM 1052 O LEU A 73 1.513 -1.837 -6.331 1.00 0.00 O ATOM 1053 CB LEU A 73 3.428 -0.460 -4.461 1.00 0.00 C ATOM 1054 CG LEU A 73 4.620 -1.188 -3.837 1.00 0.00 C ATOM 1055 CD1 LEU A 73 4.628 -1.003 -2.328 1.00 0.00 C ATOM 1056 CD2 LEU A 73 4.588 -2.667 -4.195 1.00 0.00 C ATOM 0 H LEU A 73 1.927 1.087 -5.876 1.00 0.00 H new ATOM 0 HA LEU A 73 4.428 -0.381 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.408 0.559 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.513 -0.946 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 73 5.536 -0.757 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.483 -1.528 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.699 0.059 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.707 -1.407 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.443 -3.169 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.666 -3.112 -3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.632 -2.780 -5.278 1.00 0.00 H new ATOM 1068 N SER A 74 3.462 -2.457 -7.269 1.00 0.00 N ATOM 1069 CA SER A 74 2.916 -3.673 -7.861 1.00 0.00 C ATOM 1070 C SER A 74 3.958 -4.787 -7.872 1.00 0.00 C ATOM 1071 O SER A 74 5.108 -4.582 -7.481 1.00 0.00 O ATOM 1072 CB SER A 74 2.432 -3.398 -9.286 1.00 0.00 C ATOM 1073 OG SER A 74 3.523 -3.160 -10.159 1.00 0.00 O ATOM 0 H SER A 74 4.453 -2.304 -7.457 1.00 0.00 H new ATOM 0 HA SER A 74 2.071 -3.996 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.852 -4.248 -9.647 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.767 -2.535 -9.287 1.00 0.00 H new ATOM 0 HG SER A 74 3.187 -2.989 -11.063 1.00 0.00 H new ATOM 1079 N VAL A 75 3.548 -5.968 -8.323 1.00 0.00 N ATOM 1080 CA VAL A 75 4.445 -7.116 -8.386 1.00 0.00 C ATOM 1081 C VAL A 75 5.362 -7.030 -9.601 1.00 0.00 C ATOM 1082 O VAL A 75 4.964 -6.543 -10.660 1.00 0.00 O ATOM 1083 CB VAL A 75 3.660 -8.440 -8.442 1.00 0.00 C ATOM 1084 CG1 VAL A 75 4.606 -9.626 -8.338 1.00 0.00 C ATOM 1085 CG2 VAL A 75 2.612 -8.484 -7.340 1.00 0.00 C ATOM 0 H VAL A 75 2.600 -6.155 -8.650 1.00 0.00 H new ATOM 0 HA VAL A 75 5.047 -7.098 -7.477 1.00 0.00 H new ATOM 0 HB VAL A 75 3.147 -8.499 -9.402 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.034 -10.553 -8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.315 -9.600 -9.166 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.149 -9.577 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.067 -9.426 -7.394 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.101 -8.403 -6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.916 -7.654 -7.466 1.00 0.00 H new ATOM 1095 N LEU A 76 6.592 -7.506 -9.442 1.00 0.00 N ATOM 1096 CA LEU A 76 7.567 -7.484 -10.527 1.00 0.00 C ATOM 1097 C LEU A 76 7.966 -8.900 -10.929 1.00 0.00 C ATOM 1098 O LEU A 76 8.213 -9.177 -12.104 1.00 0.00 O ATOM 1099 CB LEU A 76 8.807 -6.692 -10.108 1.00 0.00 C ATOM 1100 CG LEU A 76 9.861 -6.472 -11.194 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.326 -5.550 -12.278 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.138 -5.905 -10.590 1.00 0.00 C ATOM 0 H LEU A 76 6.938 -7.912 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 76 7.106 -6.998 -11.387 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.484 -5.718 -9.740 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.278 -7.209 -9.272 1.00 0.00 H new ATOM 0 HG LEU A 76 10.094 -7.435 -11.648 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.090 -5.405 -13.042 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.440 -5.996 -12.730 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.064 -4.587 -11.840 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.877 -5.755 -11.377 1.00 0.00 H new ATOM 0 HD22 LEU A 76 10.921 -4.951 -10.109 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.532 -6.603 -9.851 1.00 0.00 H new ATOM 1114 N HIS A 77 8.025 -9.795 -9.948 1.00 0.00 N ATOM 1115 CA HIS A 77 8.391 -11.184 -10.200 1.00 0.00 C ATOM 1116 C HIS A 77 7.463 -12.135 -9.451 1.00 0.00 C ATOM 1117 O HIS A 77 6.970 -11.814 -8.370 1.00 0.00 O ATOM 1118 CB HIS A 77 9.841 -11.435 -9.784 1.00 0.00 C ATOM 1119 CG HIS A 77 10.837 -11.100 -10.851 1.00 0.00 C ATOM 1120 ND1 HIS A 77 10.645 -11.403 -12.182 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.039 -10.482 -10.777 1.00 0.00 C ATOM 1122 CE1 HIS A 77 11.686 -10.988 -12.881 1.00 0.00 C ATOM 1123 NE2 HIS A 77 12.547 -10.426 -12.052 1.00 0.00 N ATOM 0 H HIS A 77 7.824 -9.583 -8.971 1.00 0.00 H new ATOM 0 HA HIS A 77 8.290 -11.372 -11.269 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.062 -10.846 -8.894 1.00 0.00 H new ATOM 0 HB3 HIS A 77 9.955 -12.483 -9.508 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.511 -10.103 -9.882 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.812 -11.091 -13.949 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.443 -10.017 -12.316 1.00 0.00 H new ATOM 1132 N ARG A 78 7.227 -13.306 -10.035 1.00 0.00 N ATOM 1133 CA ARG A 78 6.356 -14.302 -9.424 1.00 0.00 C ATOM 1134 C ARG A 78 6.648 -14.439 -7.932 1.00 0.00 C ATOM 1135 O ARG A 78 7.780 -14.238 -7.491 1.00 0.00 O ATOM 1136 CB ARG A 78 6.531 -15.656 -10.115 1.00 0.00 C ATOM 1137 CG ARG A 78 6.042 -15.673 -11.554 1.00 0.00 C ATOM 1138 CD ARG A 78 5.550 -17.054 -11.959 1.00 0.00 C ATOM 1139 NE ARG A 78 4.424 -17.495 -11.140 1.00 0.00 N ATOM 1140 CZ ARG A 78 3.533 -18.396 -11.541 1.00 0.00 C ATOM 1141 NH1 ARG A 78 3.637 -18.947 -12.742 1.00 0.00 N ATOM 1142 NH2 ARG A 78 2.536 -18.746 -10.739 1.00 0.00 N ATOM 0 H ARG A 78 7.627 -13.587 -10.930 1.00 0.00 H new ATOM 0 HA ARG A 78 5.325 -13.970 -9.546 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.586 -15.931 -10.095 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.993 -16.416 -9.548 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.236 -14.949 -11.674 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.850 -15.364 -12.218 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.252 -17.040 -13.007 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.366 -17.771 -11.869 1.00 0.00 H new ATOM 0 HE ARG A 78 4.316 -17.090 -10.210 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.402 -18.680 -13.361 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.952 -19.638 -13.047 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.453 -18.324 -9.814 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.852 -19.437 -11.047 1.00 0.00 H new ATOM 1156 N ILE A 79 5.621 -14.781 -7.162 1.00 0.00 N ATOM 1157 CA ILE A 79 5.768 -14.944 -5.721 1.00 0.00 C ATOM 1158 C ILE A 79 5.324 -16.334 -5.278 1.00 0.00 C ATOM 1159 O ILE A 79 4.430 -16.932 -5.877 1.00 0.00 O ATOM 1160 CB ILE A 79 4.957 -13.887 -4.949 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.513 -12.488 -5.219 1.00 0.00 C ATOM 1162 CG2 ILE A 79 4.974 -14.192 -3.458 1.00 0.00 C ATOM 1163 CD1 ILE A 79 4.522 -11.380 -4.941 1.00 0.00 C ATOM 0 H ILE A 79 4.678 -14.951 -7.512 1.00 0.00 H new ATOM 0 HA ILE A 79 6.826 -14.814 -5.494 1.00 0.00 H new ATOM 0 HB ILE A 79 3.924 -13.919 -5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.400 -12.334 -4.605 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.831 -12.427 -6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.397 -13.436 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.535 -15.174 -3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.002 -14.184 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.984 -10.416 -5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.644 -11.509 -5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.222 -11.415 -3.894 1.00 0.00 H new ATOM 1175 N ASP A 80 5.953 -16.841 -4.223 1.00 0.00 N ATOM 1176 CA ASP A 80 5.621 -18.160 -3.697 1.00 0.00 C ATOM 1177 C ASP A 80 5.591 -18.144 -2.172 1.00 0.00 C ATOM 1178 O ASP A 80 6.631 -18.045 -1.521 1.00 0.00 O ATOM 1179 CB ASP A 80 6.632 -19.198 -4.188 1.00 0.00 C ATOM 1180 CG ASP A 80 6.031 -20.586 -4.293 1.00 0.00 C ATOM 1181 OD1 ASP A 80 5.304 -20.990 -3.361 1.00 0.00 O ATOM 1182 OD2 ASP A 80 6.289 -21.268 -5.306 1.00 0.00 O ATOM 0 H ASP A 80 6.695 -16.359 -3.716 1.00 0.00 H new ATOM 0 HA ASP A 80 4.629 -18.430 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.014 -18.896 -5.163 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.482 -19.224 -3.506 1.00 0.00 H new ATOM 1187 N ARG A 81 4.391 -18.241 -1.608 1.00 0.00 N ATOM 1188 CA ARG A 81 4.224 -18.236 -0.160 1.00 0.00 C ATOM 1189 C ARG A 81 5.351 -19.009 0.520 1.00 0.00 C ATOM 1190 O ARG A 81 5.816 -18.629 1.594 1.00 0.00 O ATOM 1191 CB ARG A 81 2.873 -18.842 0.222 1.00 0.00 C ATOM 1192 CG ARG A 81 2.407 -18.460 1.618 1.00 0.00 C ATOM 1193 CD ARG A 81 2.964 -19.407 2.669 1.00 0.00 C ATOM 1194 NE ARG A 81 2.749 -18.907 4.025 1.00 0.00 N ATOM 1195 CZ ARG A 81 1.627 -19.101 4.709 1.00 0.00 C ATOM 1196 NH1 ARG A 81 0.625 -19.779 4.169 1.00 0.00 N ATOM 1197 NH2 ARG A 81 1.507 -18.615 5.938 1.00 0.00 N ATOM 0 H ARG A 81 3.520 -18.324 -2.132 1.00 0.00 H new ATOM 0 HA ARG A 81 4.259 -17.201 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.123 -18.523 -0.502 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.939 -19.928 0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.722 -17.441 1.842 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.318 -18.473 1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.492 -20.384 2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.031 -19.549 2.500 1.00 0.00 H new ATOM 0 HE ARG A 81 3.501 -18.381 4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.713 -20.154 3.225 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.235 -19.926 4.698 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.276 -18.093 6.357 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.645 -18.764 6.463 1.00 0.00 H new ATOM 1211 N GLU A 82 5.783 -20.094 -0.114 1.00 0.00 N ATOM 1212 CA GLU A 82 6.854 -20.921 0.431 1.00 0.00 C ATOM 1213 C GLU A 82 8.120 -20.097 0.650 1.00 0.00 C ATOM 1214 O GLU A 82 8.583 -19.940 1.779 1.00 0.00 O ATOM 1215 CB GLU A 82 7.150 -22.093 -0.506 1.00 0.00 C ATOM 1216 CG GLU A 82 7.657 -23.333 0.212 1.00 0.00 C ATOM 1217 CD GLU A 82 8.501 -24.221 -0.682 1.00 0.00 C ATOM 1218 OE1 GLU A 82 7.922 -25.072 -1.389 1.00 0.00 O ATOM 1219 OE2 GLU A 82 9.740 -24.065 -0.674 1.00 0.00 O ATOM 0 H GLU A 82 5.409 -20.421 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 82 6.524 -21.310 1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.243 -22.347 -1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.891 -21.781 -1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.246 -23.031 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.808 -23.904 0.587 1.00 0.00 H new ATOM 1226 N GLU A 83 8.673 -19.574 -0.440 1.00 0.00 N ATOM 1227 CA GLU A 83 9.886 -18.767 -0.367 1.00 0.00 C ATOM 1228 C GLU A 83 9.718 -17.620 0.625 1.00 0.00 C ATOM 1229 O GLU A 83 10.678 -17.195 1.268 1.00 0.00 O ATOM 1230 CB GLU A 83 10.241 -18.214 -1.749 1.00 0.00 C ATOM 1231 CG GLU A 83 9.360 -17.055 -2.185 1.00 0.00 C ATOM 1232 CD GLU A 83 10.031 -16.168 -3.215 1.00 0.00 C ATOM 1233 OE1 GLU A 83 11.269 -16.016 -3.152 1.00 0.00 O ATOM 1234 OE2 GLU A 83 9.317 -15.626 -4.085 1.00 0.00 O ATOM 0 H GLU A 83 8.301 -19.694 -1.382 1.00 0.00 H new ATOM 0 HA GLU A 83 10.697 -19.407 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.281 -17.887 -1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.162 -19.016 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.430 -17.446 -2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.095 -16.457 -1.313 1.00 0.00 H new ATOM 1241 N VAL A 84 8.491 -17.122 0.742 1.00 0.00 N ATOM 1242 CA VAL A 84 8.196 -16.025 1.656 1.00 0.00 C ATOM 1243 C VAL A 84 6.749 -16.081 2.133 1.00 0.00 C ATOM 1244 O VAL A 84 5.825 -16.201 1.330 1.00 0.00 O ATOM 1245 CB VAL A 84 8.454 -14.658 0.993 1.00 0.00 C ATOM 1246 CG1 VAL A 84 9.918 -14.521 0.605 1.00 0.00 C ATOM 1247 CG2 VAL A 84 7.554 -14.476 -0.220 1.00 0.00 C ATOM 0 H VAL A 84 7.686 -17.461 0.215 1.00 0.00 H new ATOM 0 HA VAL A 84 8.862 -16.138 2.512 1.00 0.00 H new ATOM 0 HB VAL A 84 8.218 -13.874 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.081 -13.550 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.540 -14.605 1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.183 -15.311 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.750 -13.505 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.756 -15.265 -0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.510 -14.527 0.090 1.00 0.00 H new ATOM 1257 N ASN A 85 6.561 -15.992 3.445 1.00 0.00 N ATOM 1258 CA ASN A 85 5.225 -16.032 4.030 1.00 0.00 C ATOM 1259 C ASN A 85 4.676 -14.623 4.229 1.00 0.00 C ATOM 1260 O ASN A 85 3.472 -14.395 4.115 1.00 0.00 O ATOM 1261 CB ASN A 85 5.254 -16.775 5.368 1.00 0.00 C ATOM 1262 CG ASN A 85 6.237 -16.163 6.348 1.00 0.00 C ATOM 1263 OD1 ASN A 85 7.420 -16.502 6.351 1.00 0.00 O ATOM 1264 ND2 ASN A 85 5.749 -15.255 7.185 1.00 0.00 N ATOM 0 H ASN A 85 7.316 -15.892 4.124 1.00 0.00 H new ATOM 0 HA ASN A 85 4.569 -16.564 3.341 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.256 -16.768 5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.519 -17.818 5.196 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.362 -14.808 7.866 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.761 -15.005 7.147 1.00 0.00 H new ATOM 1271 N GLN A 86 5.567 -13.683 4.527 1.00 0.00 N ATOM 1272 CA GLN A 86 5.170 -12.296 4.743 1.00 0.00 C ATOM 1273 C GLN A 86 6.352 -11.354 4.535 1.00 0.00 C ATOM 1274 O GLN A 86 7.341 -11.412 5.267 1.00 0.00 O ATOM 1275 CB GLN A 86 4.602 -12.119 6.152 1.00 0.00 C ATOM 1276 CG GLN A 86 4.351 -10.668 6.528 1.00 0.00 C ATOM 1277 CD GLN A 86 3.758 -10.519 7.915 1.00 0.00 C ATOM 1278 OE1 GLN A 86 4.482 -10.475 8.911 1.00 0.00 O ATOM 1279 NE2 GLN A 86 2.435 -10.440 7.989 1.00 0.00 N ATOM 0 H GLN A 86 6.568 -13.856 4.624 1.00 0.00 H new ATOM 0 HA GLN A 86 4.398 -12.047 4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.667 -12.673 6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.293 -12.558 6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.289 -10.116 6.477 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.677 -10.219 5.799 1.00 0.00 H new ATOM 0 HE21 GLN A 86 1.873 -10.481 7.139 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.980 -10.339 8.896 1.00 0.00 H new ATOM 1288 N LEU A 87 6.242 -10.488 3.534 1.00 0.00 N ATOM 1289 CA LEU A 87 7.302 -9.532 3.230 1.00 0.00 C ATOM 1290 C LEU A 87 7.227 -8.323 4.157 1.00 0.00 C ATOM 1291 O LEU A 87 6.235 -8.127 4.859 1.00 0.00 O ATOM 1292 CB LEU A 87 7.203 -9.078 1.773 1.00 0.00 C ATOM 1293 CG LEU A 87 7.067 -10.190 0.731 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.321 -9.684 -0.494 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.436 -10.726 0.341 1.00 0.00 C ATOM 0 H LEU A 87 5.430 -10.428 2.919 1.00 0.00 H new ATOM 0 HA LEU A 87 8.260 -10.027 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.345 -8.412 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.090 -8.491 1.535 1.00 0.00 H new ATOM 0 HG LEU A 87 6.492 -11.005 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.234 -10.488 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.326 -9.350 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.868 -8.851 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.320 -11.516 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.036 -9.919 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.934 -11.127 1.223 1.00 0.00 H new ATOM 1307 N ARG A 88 8.283 -7.515 4.153 1.00 0.00 N ATOM 1308 CA ARG A 88 8.336 -6.325 4.993 1.00 0.00 C ATOM 1309 C ARG A 88 9.431 -5.373 4.518 1.00 0.00 C ATOM 1310 O ARG A 88 10.608 -5.732 4.484 1.00 0.00 O ATOM 1311 CB ARG A 88 8.583 -6.714 6.452 1.00 0.00 C ATOM 1312 CG ARG A 88 7.952 -5.760 7.452 1.00 0.00 C ATOM 1313 CD ARG A 88 8.424 -6.046 8.869 1.00 0.00 C ATOM 1314 NE ARG A 88 8.391 -4.851 9.709 1.00 0.00 N ATOM 1315 CZ ARG A 88 8.558 -4.874 11.026 1.00 0.00 C ATOM 1316 NH1 ARG A 88 8.769 -6.024 11.651 1.00 0.00 N ATOM 1317 NH2 ARG A 88 8.515 -3.745 11.722 1.00 0.00 N ATOM 0 H ARG A 88 9.112 -7.663 3.578 1.00 0.00 H new ATOM 0 HA ARG A 88 7.376 -5.815 4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.192 -7.717 6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.657 -6.756 6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 88 8.202 -4.733 7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.867 -5.847 7.404 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.795 -6.818 9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.440 -6.441 8.840 1.00 0.00 H new ATOM 0 HE ARG A 88 8.231 -3.950 9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.803 -6.894 11.120 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.897 -6.039 12.663 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.353 -2.858 11.245 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.643 -3.764 12.734 1.00 0.00 H new ATOM 1331 N PHE A 89 9.033 -4.159 4.151 1.00 0.00 N ATOM 1332 CA PHE A 89 9.980 -3.156 3.676 1.00 0.00 C ATOM 1333 C PHE A 89 9.510 -1.751 4.038 1.00 0.00 C ATOM 1334 O PHE A 89 8.418 -1.567 4.577 1.00 0.00 O ATOM 1335 CB PHE A 89 10.160 -3.272 2.161 1.00 0.00 C ATOM 1336 CG PHE A 89 8.863 -3.372 1.409 1.00 0.00 C ATOM 1337 CD1 PHE A 89 8.194 -2.230 0.999 1.00 0.00 C ATOM 1338 CD2 PHE A 89 8.313 -4.609 1.113 1.00 0.00 C ATOM 1339 CE1 PHE A 89 7.001 -2.320 0.306 1.00 0.00 C ATOM 1340 CE2 PHE A 89 7.121 -4.705 0.420 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.464 -3.558 0.018 1.00 0.00 C ATOM 0 H PHE A 89 8.062 -3.846 4.173 1.00 0.00 H new ATOM 0 HA PHE A 89 10.938 -3.336 4.163 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.713 -2.404 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.767 -4.150 1.941 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.609 -1.259 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.822 -5.508 1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.490 -1.422 -0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.704 -5.675 0.193 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.531 -3.630 -0.521 1.00 0.00 H new ATOM 1351 N THR A 90 10.343 -0.759 3.738 1.00 0.00 N ATOM 1352 CA THR A 90 10.015 0.630 4.033 1.00 0.00 C ATOM 1353 C THR A 90 10.141 1.501 2.788 1.00 0.00 C ATOM 1354 O THR A 90 11.024 1.290 1.957 1.00 0.00 O ATOM 1355 CB THR A 90 10.925 1.200 5.138 1.00 0.00 C ATOM 1356 OG1 THR A 90 11.162 0.204 6.139 1.00 0.00 O ATOM 1357 CG2 THR A 90 10.295 2.428 5.777 1.00 0.00 C ATOM 0 H THR A 90 11.250 -0.892 3.291 1.00 0.00 H new ATOM 0 HA THR A 90 8.982 0.644 4.380 1.00 0.00 H new ATOM 0 HB THR A 90 11.872 1.491 4.684 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.793 0.552 6.803 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.955 2.813 6.554 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.142 3.195 5.018 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.336 2.157 6.218 1.00 0.00 H new ATOM 1365 N VAL A 91 9.252 2.482 2.666 1.00 0.00 N ATOM 1366 CA VAL A 91 9.265 3.386 1.522 1.00 0.00 C ATOM 1367 C VAL A 91 9.452 4.833 1.968 1.00 0.00 C ATOM 1368 O VAL A 91 8.798 5.294 2.903 1.00 0.00 O ATOM 1369 CB VAL A 91 7.964 3.277 0.705 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.838 1.894 0.085 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.758 3.590 1.578 1.00 0.00 C ATOM 0 H VAL A 91 8.514 2.671 3.345 1.00 0.00 H new ATOM 0 HA VAL A 91 10.105 3.090 0.894 1.00 0.00 H new ATOM 0 HB VAL A 91 8.000 4.010 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.913 1.835 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.686 1.712 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.824 1.142 0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.848 3.508 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.715 2.883 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.846 4.603 1.970 1.00 0.00 H new ATOM 1381 N MET A 92 10.348 5.543 1.292 1.00 0.00 N ATOM 1382 CA MET A 92 10.620 6.938 1.617 1.00 0.00 C ATOM 1383 C MET A 92 10.019 7.868 0.568 1.00 0.00 C ATOM 1384 O MET A 92 10.075 7.587 -0.629 1.00 0.00 O ATOM 1385 CB MET A 92 12.128 7.175 1.722 1.00 0.00 C ATOM 1386 CG MET A 92 12.714 6.772 3.065 1.00 0.00 C ATOM 1387 SD MET A 92 14.211 7.691 3.474 1.00 0.00 S ATOM 1388 CE MET A 92 15.048 7.697 1.890 1.00 0.00 C ATOM 0 H MET A 92 10.898 5.176 0.516 1.00 0.00 H new ATOM 0 HA MET A 92 10.157 7.158 2.579 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.631 6.616 0.933 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.335 8.231 1.547 1.00 0.00 H new ATOM 0 HG2 MET A 92 11.969 6.932 3.845 1.00 0.00 H new ATOM 0 HG3 MET A 92 12.939 5.705 3.054 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.112 7.880 2.041 1.00 0.00 H new ATOM 0 HE2 MET A 92 14.912 6.731 1.403 1.00 0.00 H new ATOM 0 HE3 MET A 92 14.630 8.483 1.261 1.00 0.00 H new ATOM 1398 N ALA A 93 9.445 8.976 1.025 1.00 0.00 N ATOM 1399 CA ALA A 93 8.835 9.948 0.125 1.00 0.00 C ATOM 1400 C ALA A 93 9.428 11.337 0.334 1.00 0.00 C ATOM 1401 O ALA A 93 8.948 12.108 1.166 1.00 0.00 O ATOM 1402 CB ALA A 93 7.327 9.979 0.325 1.00 0.00 C ATOM 0 H ALA A 93 9.389 9.223 2.013 1.00 0.00 H new ATOM 0 HA ALA A 93 9.048 9.642 -0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.885 10.709 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.912 8.993 0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.102 10.258 1.355 1.00 0.00 H new ATOM 1408 N ARG A 94 10.473 11.650 -0.424 1.00 0.00 N ATOM 1409 CA ARG A 94 11.132 12.946 -0.320 1.00 0.00 C ATOM 1410 C ARG A 94 10.691 13.873 -1.449 1.00 0.00 C ATOM 1411 O ARG A 94 10.281 13.416 -2.516 1.00 0.00 O ATOM 1412 CB ARG A 94 12.652 12.774 -0.352 1.00 0.00 C ATOM 1413 CG ARG A 94 13.122 11.689 -1.308 1.00 0.00 C ATOM 1414 CD ARG A 94 14.639 11.629 -1.379 1.00 0.00 C ATOM 1415 NE ARG A 94 15.109 11.176 -2.686 1.00 0.00 N ATOM 1416 CZ ARG A 94 16.392 11.042 -2.999 1.00 0.00 C ATOM 1417 NH1 ARG A 94 17.330 11.324 -2.105 1.00 0.00 N ATOM 1418 NH2 ARG A 94 16.741 10.624 -4.210 1.00 0.00 N ATOM 0 H ARG A 94 10.882 11.024 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 94 10.844 13.396 0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 94 13.110 13.721 -0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 94 13.004 12.539 0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 94 12.733 10.724 -0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.717 11.878 -2.302 1.00 0.00 H new ATOM 0 HD2 ARG A 94 15.051 12.616 -1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.012 10.956 -0.607 1.00 0.00 H new ATOM 0 HE ARG A 94 14.413 10.950 -3.397 1.00 0.00 H new ATOM 0 HH11 ARG A 94 17.067 11.645 -1.173 1.00 0.00 H new ATOM 0 HH12 ARG A 94 18.315 11.220 -2.349 1.00 0.00 H new ATOM 0 HH21 ARG A 94 16.023 10.406 -4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 94 17.727 10.521 -4.450 1.00 0.00 H new ATOM 1520 N LYS A 101 12.867 15.818 3.435 1.00 0.00 N ATOM 1521 CA LYS A 101 11.734 15.394 4.249 1.00 0.00 C ATOM 1522 C LYS A 101 11.227 14.025 3.804 1.00 0.00 C ATOM 1523 O LYS A 101 10.353 13.925 2.942 1.00 0.00 O ATOM 1524 CB LYS A 101 10.603 16.421 4.161 1.00 0.00 C ATOM 1525 CG LYS A 101 10.959 17.770 4.761 1.00 0.00 C ATOM 1526 CD LYS A 101 10.670 17.810 6.252 1.00 0.00 C ATOM 1527 CE LYS A 101 11.164 19.105 6.880 1.00 0.00 C ATOM 1528 NZ LYS A 101 11.253 19.003 8.363 1.00 0.00 N ATOM 0 HA LYS A 101 12.069 15.320 5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.329 16.559 3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.724 16.026 4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.015 17.979 4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.392 18.554 4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.598 17.709 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.150 16.961 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.144 19.355 6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.491 19.919 6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.593 19.905 8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.313 18.789 8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.915 18.243 8.620 1.00 0.00 H new ATOM 1542 N THR A 102 11.781 12.972 4.398 1.00 0.00 N ATOM 1543 CA THR A 102 11.385 11.610 4.063 1.00 0.00 C ATOM 1544 C THR A 102 10.548 10.992 5.176 1.00 0.00 C ATOM 1545 O THR A 102 10.952 10.984 6.339 1.00 0.00 O ATOM 1546 CB THR A 102 12.612 10.717 3.802 1.00 0.00 C ATOM 1547 OG1 THR A 102 13.427 10.649 4.977 1.00 0.00 O ATOM 1548 CG2 THR A 102 13.434 11.252 2.639 1.00 0.00 C ATOM 0 H THR A 102 12.505 13.037 5.113 1.00 0.00 H new ATOM 0 HA THR A 102 10.788 11.669 3.153 1.00 0.00 H new ATOM 0 HB THR A 102 12.259 9.718 3.547 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.889 10.882 5.762 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.295 10.605 2.474 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.819 11.275 1.739 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.777 12.261 2.870 1.00 0.00 H new ATOM 1556 N ASP A 103 9.380 10.473 4.813 1.00 0.00 N ATOM 1557 CA ASP A 103 8.486 9.850 5.783 1.00 0.00 C ATOM 1558 C ASP A 103 8.455 8.336 5.599 1.00 0.00 C ATOM 1559 O ASP A 103 7.525 7.791 5.004 1.00 0.00 O ATOM 1560 CB ASP A 103 7.073 10.422 5.646 1.00 0.00 C ATOM 1561 CG ASP A 103 6.133 9.902 6.716 1.00 0.00 C ATOM 1562 OD1 ASP A 103 6.189 10.412 7.854 1.00 0.00 O ATOM 1563 OD2 ASP A 103 5.341 8.983 6.415 1.00 0.00 O ATOM 0 H ASP A 103 9.030 10.471 3.855 1.00 0.00 H new ATOM 0 HA ASP A 103 8.864 10.069 6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.117 11.510 5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.675 10.170 4.663 1.00 0.00 H new ATOM 1568 N LYS A 104 9.479 7.662 6.112 1.00 0.00 N ATOM 1569 CA LYS A 104 9.570 6.211 6.005 1.00 0.00 C ATOM 1570 C LYS A 104 8.262 5.551 6.428 1.00 0.00 C ATOM 1571 O LYS A 104 7.663 5.927 7.435 1.00 0.00 O ATOM 1572 CB LYS A 104 10.721 5.687 6.868 1.00 0.00 C ATOM 1573 CG LYS A 104 12.048 5.617 6.134 1.00 0.00 C ATOM 1574 CD LYS A 104 13.156 5.096 7.034 1.00 0.00 C ATOM 1575 CE LYS A 104 13.863 6.230 7.761 1.00 0.00 C ATOM 1576 NZ LYS A 104 13.230 6.527 9.075 1.00 0.00 N ATOM 0 H LYS A 104 10.258 8.098 6.606 1.00 0.00 H new ATOM 0 HA LYS A 104 9.762 5.960 4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.832 6.330 7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.465 4.693 7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.950 4.968 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.313 6.608 5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.738 4.400 7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.878 4.538 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.910 5.967 7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.847 7.125 7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.942 7.526 9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 12.394 5.922 9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.911 6.341 9.838 1.00 0.00 H new ATOM 1590 N ALA A 105 7.825 4.563 5.653 1.00 0.00 N ATOM 1591 CA ALA A 105 6.590 3.849 5.950 1.00 0.00 C ATOM 1592 C ALA A 105 6.759 2.348 5.737 1.00 0.00 C ATOM 1593 O ALA A 105 7.109 1.900 4.645 1.00 0.00 O ATOM 1594 CB ALA A 105 5.453 4.380 5.090 1.00 0.00 C ATOM 0 H ALA A 105 8.308 4.239 4.815 1.00 0.00 H new ATOM 0 HA ALA A 105 6.346 4.016 6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.537 3.837 5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.308 5.441 5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.699 4.243 4.037 1.00 0.00 H new ATOM 1600 N THR A 106 6.509 1.574 6.789 1.00 0.00 N ATOM 1601 CA THR A 106 6.636 0.124 6.717 1.00 0.00 C ATOM 1602 C THR A 106 5.409 -0.504 6.067 1.00 0.00 C ATOM 1603 O THR A 106 4.285 -0.329 6.538 1.00 0.00 O ATOM 1604 CB THR A 106 6.833 -0.492 8.115 1.00 0.00 C ATOM 1605 OG1 THR A 106 7.979 0.088 8.749 1.00 0.00 O ATOM 1606 CG2 THR A 106 7.008 -2.001 8.022 1.00 0.00 C ATOM 0 H THR A 106 6.218 1.927 7.700 1.00 0.00 H new ATOM 0 HA THR A 106 7.515 -0.086 6.107 1.00 0.00 H new ATOM 0 HB THR A 106 5.944 -0.281 8.709 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.096 -0.308 9.638 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.145 -2.414 9.021 1.00 0.00 H new ATOM 0 HG22 THR A 106 6.122 -2.443 7.566 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.882 -2.229 7.412 1.00 0.00 H new ATOM 1614 N VAL A 107 5.631 -1.237 4.980 1.00 0.00 N ATOM 1615 CA VAL A 107 4.542 -1.893 4.265 1.00 0.00 C ATOM 1616 C VAL A 107 4.535 -3.394 4.533 1.00 0.00 C ATOM 1617 O VAL A 107 5.461 -4.109 4.149 1.00 0.00 O ATOM 1618 CB VAL A 107 4.644 -1.654 2.747 1.00 0.00 C ATOM 1619 CG1 VAL A 107 3.584 -2.457 2.008 1.00 0.00 C ATOM 1620 CG2 VAL A 107 4.517 -0.171 2.432 1.00 0.00 C ATOM 0 H VAL A 107 6.555 -1.391 4.576 1.00 0.00 H new ATOM 0 HA VAL A 107 3.613 -1.457 4.632 1.00 0.00 H new ATOM 0 HB VAL A 107 5.623 -1.992 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.671 -2.276 0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.726 -3.519 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.594 -2.153 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.591 -0.020 1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.552 0.194 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.316 0.377 2.931 1.00 0.00 H new ATOM 1630 N VAL A 108 3.483 -3.867 5.194 1.00 0.00 N ATOM 1631 CA VAL A 108 3.354 -5.284 5.512 1.00 0.00 C ATOM 1632 C VAL A 108 2.352 -5.965 4.587 1.00 0.00 C ATOM 1633 O VAL A 108 1.142 -5.767 4.709 1.00 0.00 O ATOM 1634 CB VAL A 108 2.912 -5.493 6.972 1.00 0.00 C ATOM 1635 CG1 VAL A 108 2.770 -6.976 7.280 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.897 -4.834 7.926 1.00 0.00 C ATOM 0 H VAL A 108 2.708 -3.289 5.520 1.00 0.00 H new ATOM 0 HA VAL A 108 4.338 -5.732 5.370 1.00 0.00 H new ATOM 0 HB VAL A 108 1.938 -5.023 7.109 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.457 -7.104 8.316 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.023 -7.415 6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.728 -7.473 7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.569 -4.992 8.954 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.885 -5.273 7.789 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.943 -3.765 7.720 1.00 0.00 H new ATOM 1646 N LEU A 109 2.862 -6.769 3.661 1.00 0.00 N ATOM 1647 CA LEU A 109 2.012 -7.482 2.713 1.00 0.00 C ATOM 1648 C LEU A 109 1.817 -8.933 3.141 1.00 0.00 C ATOM 1649 O LEU A 109 2.745 -9.739 3.077 1.00 0.00 O ATOM 1650 CB LEU A 109 2.620 -7.429 1.311 1.00 0.00 C ATOM 1651 CG LEU A 109 2.720 -6.042 0.675 1.00 0.00 C ATOM 1652 CD1 LEU A 109 3.338 -6.134 -0.712 1.00 0.00 C ATOM 1653 CD2 LEU A 109 1.349 -5.386 0.608 1.00 0.00 C ATOM 0 H LEU A 109 3.860 -6.944 3.546 1.00 0.00 H new ATOM 0 HA LEU A 109 1.038 -6.993 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.620 -7.860 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.026 -8.066 0.655 1.00 0.00 H new ATOM 0 HG LEU A 109 3.366 -5.423 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.401 -5.137 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.338 -6.561 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.718 -6.769 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.439 -4.400 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.680 -6.003 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.944 -5.285 1.615 1.00 0.00 H new ATOM 1665 N ASN A 110 0.604 -9.260 3.574 1.00 0.00 N ATOM 1666 CA ASN A 110 0.288 -10.615 4.011 1.00 0.00 C ATOM 1667 C ASN A 110 0.046 -11.529 2.814 1.00 0.00 C ATOM 1668 O ASN A 110 -0.984 -11.434 2.146 1.00 0.00 O ATOM 1669 CB ASN A 110 -0.945 -10.606 4.917 1.00 0.00 C ATOM 1670 CG ASN A 110 -0.767 -9.708 6.127 1.00 0.00 C ATOM 1671 OD1 ASN A 110 -0.412 -10.171 7.211 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -1.014 -8.416 5.945 1.00 0.00 N ATOM 0 H ASN A 110 -0.176 -8.605 3.632 1.00 0.00 H new ATOM 0 HA ASN A 110 1.140 -10.998 4.572 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.811 -10.273 4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.155 -11.622 5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.912 -7.763 6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.306 -8.077 5.028 1.00 0.00 H new ATOM 1679 N ILE A 111 1.001 -12.415 2.550 1.00 0.00 N ATOM 1680 CA ILE A 111 0.891 -13.347 1.435 1.00 0.00 C ATOM 1681 C ILE A 111 -0.357 -14.213 1.564 1.00 0.00 C ATOM 1682 O ILE A 111 -0.330 -15.271 2.193 1.00 0.00 O ATOM 1683 CB ILE A 111 2.128 -14.260 1.341 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.400 -13.419 1.207 1.00 0.00 C ATOM 1685 CG2 ILE A 111 1.992 -15.216 0.165 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.504 -12.687 -0.112 1.00 0.00 C ATOM 0 H ILE A 111 1.859 -12.507 3.093 1.00 0.00 H new ATOM 0 HA ILE A 111 0.822 -12.747 0.528 1.00 0.00 H new ATOM 0 HB ILE A 111 2.198 -14.848 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.433 -12.693 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.268 -14.067 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.874 -15.855 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 111 1.104 -15.834 0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 111 1.901 -14.645 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.430 -12.112 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.503 -13.408 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.655 -12.013 -0.222 1.00 0.00 H new ATOM 1698 N LYS A 112 -1.451 -13.758 0.963 1.00 0.00 N ATOM 1699 CA LYS A 112 -2.710 -14.492 1.007 1.00 0.00 C ATOM 1700 C LYS A 112 -2.631 -15.760 0.163 1.00 0.00 C ATOM 1701 O LYS A 112 -1.621 -16.019 -0.492 1.00 0.00 O ATOM 1702 CB LYS A 112 -3.857 -13.608 0.511 1.00 0.00 C ATOM 1703 CG LYS A 112 -4.030 -12.330 1.313 1.00 0.00 C ATOM 1704 CD LYS A 112 -4.489 -12.620 2.732 1.00 0.00 C ATOM 1705 CE LYS A 112 -5.949 -13.044 2.770 1.00 0.00 C ATOM 1706 NZ LYS A 112 -6.581 -12.738 4.083 1.00 0.00 N ATOM 0 H LYS A 112 -1.491 -12.884 0.439 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.899 -14.777 2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.681 -13.351 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.785 -14.178 0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.086 -11.785 1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.757 -11.685 0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -3.869 -13.407 3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.351 -11.732 3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.496 -12.535 1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.022 -14.113 2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.530 -13.161 4.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -5.998 -13.131 4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.657 -11.707 4.200 1.00 0.00 H new ATOM 1720 N ASP A 113 -3.702 -16.546 0.182 1.00 0.00 N ATOM 1721 CA ASP A 113 -3.754 -17.786 -0.584 1.00 0.00 C ATOM 1722 C ASP A 113 -4.985 -17.818 -1.484 1.00 0.00 C ATOM 1723 O ASP A 113 -6.116 -17.881 -1.002 1.00 0.00 O ATOM 1724 CB ASP A 113 -3.763 -18.992 0.357 1.00 0.00 C ATOM 1725 CG ASP A 113 -3.087 -20.205 -0.250 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -1.839 -20.255 -0.242 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -3.806 -21.105 -0.731 1.00 0.00 O ATOM 0 H ASP A 113 -4.546 -16.347 0.719 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.865 -17.833 -1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.260 -18.727 1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.793 -19.243 0.611 1.00 0.00 H new