USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 435 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 36 LYS NZ :NH3+ 176:sc= 1.26 (180deg=-0.0125) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.282! C(o=0.98!,f=-12!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -18:sc= -2.22! USER MOD Single : A 11 THR OG1 : rot 26:sc= 2.28 USER MOD Single : A 15 TYR OH : rot 165:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.51 K(o=-1.5,f=-4.8!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.484 USER MOD Single : A 32 HIS : no HD1:sc= -0.0573 X(o=-0.057,f=-0.0032) USER MOD Single : A 35 SER OG : rot -110:sc= 1.28 USER MOD Single : A 38 THR OG1 : rot -93:sc= 1.13 USER MOD Single : A 45 LYS NZ :NH3+ -148:sc= 1.23 (180deg=0.813) USER MOD Single : A 49 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.52) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= -0.0263 (180deg=-0.217) USER MOD Single : A 58 ASN : amide:sc= -0.223 K(o=-0.22,f=-0.85) USER MOD Single : A 64 SER OG : rot -100:sc= -0.4 USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 7 -10.492 2.511 -2.417 1.00 0.00 N ATOM 77 CA GLU A 7 -9.807 2.937 -1.238 1.00 0.00 C ATOM 78 C GLU A 7 -8.362 3.258 -1.599 1.00 0.00 C ATOM 79 O GLU A 7 -7.735 2.552 -2.400 1.00 0.00 O ATOM 80 CB GLU A 7 -9.874 1.875 -0.094 1.00 0.00 C ATOM 81 CG GLU A 7 -11.292 1.495 0.394 1.00 0.00 C ATOM 82 CD GLU A 7 -12.110 0.675 -0.580 1.00 0.00 C ATOM 83 OE1 GLU A 7 -12.006 -0.564 -0.561 1.00 0.00 O ATOM 84 OE2 GLU A 7 -12.900 1.254 -1.366 1.00 0.00 O ATOM 0 HA GLU A 7 -10.302 3.829 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.374 0.969 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.306 2.250 0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.201 0.938 1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.838 2.410 0.622 1.00 0.00 H new ATOM 91 N TYR A 8 -7.861 4.332 -1.081 1.00 0.00 N ATOM 92 CA TYR A 8 -6.496 4.722 -1.313 1.00 0.00 C ATOM 93 C TYR A 8 -5.816 4.864 0.002 1.00 0.00 C ATOM 94 O TYR A 8 -6.467 5.081 1.041 1.00 0.00 O ATOM 95 CB TYR A 8 -6.379 6.050 -2.068 1.00 0.00 C ATOM 96 CG TYR A 8 -7.054 6.086 -3.410 1.00 0.00 C ATOM 97 CD1 TYR A 8 -8.399 6.368 -3.513 1.00 0.00 C ATOM 98 CD2 TYR A 8 -6.341 5.856 -4.574 1.00 0.00 C ATOM 99 CE1 TYR A 8 -9.023 6.417 -4.727 1.00 0.00 C ATOM 100 CE2 TYR A 8 -6.961 5.902 -5.801 1.00 0.00 C ATOM 101 CZ TYR A 8 -8.307 6.183 -5.869 1.00 0.00 C ATOM 102 OH TYR A 8 -8.937 6.244 -7.088 1.00 0.00 O ATOM 0 H TYR A 8 -8.384 4.971 -0.482 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.033 3.951 -1.929 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.799 6.841 -1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.322 6.280 -2.205 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -8.971 6.554 -2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.285 5.638 -4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.078 6.640 -4.785 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.397 5.719 -6.703 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.291 6.055 -7.800 1.00 0.00 H new ATOM 112 N CYS A 9 -4.544 4.779 -0.020 1.00 0.00 N ATOM 113 CA CYS A 9 -3.781 4.882 1.165 1.00 0.00 C ATOM 114 C CYS A 9 -2.585 5.772 0.937 1.00 0.00 C ATOM 115 O CYS A 9 -1.925 5.684 -0.102 1.00 0.00 O ATOM 116 CB CYS A 9 -3.390 3.483 1.655 1.00 0.00 C ATOM 117 SG CYS A 9 -2.698 2.412 0.370 1.00 0.00 S ATOM 0 H CYS A 9 -3.995 4.635 -0.867 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.377 5.346 1.951 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.662 3.583 2.460 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.270 3.000 2.079 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.007 2.884 -0.801 1.00 0.00 H new ATOM 123 N ARG A 10 -2.349 6.665 1.853 1.00 0.00 N ATOM 124 CA ARG A 10 -1.213 7.521 1.766 1.00 0.00 C ATOM 125 C ARG A 10 -0.132 6.996 2.665 1.00 0.00 C ATOM 126 O ARG A 10 -0.395 6.577 3.795 1.00 0.00 O ATOM 127 CB ARG A 10 -1.521 8.993 2.103 1.00 0.00 C ATOM 128 CG ARG A 10 -0.248 9.831 2.125 1.00 0.00 C ATOM 129 CD ARG A 10 -0.447 11.280 2.466 1.00 0.00 C ATOM 130 NE ARG A 10 0.864 11.880 2.754 1.00 0.00 N ATOM 131 CZ ARG A 10 1.319 13.049 2.313 1.00 0.00 C ATOM 132 NH1 ARG A 10 0.560 13.830 1.546 1.00 0.00 N ATOM 133 NH2 ARG A 10 2.555 13.423 2.636 1.00 0.00 N ATOM 0 H ARG A 10 -2.936 6.816 2.673 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.886 7.516 0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.215 9.400 1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.015 9.051 3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.443 9.395 2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.229 9.766 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.927 11.801 1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.106 11.378 3.329 1.00 0.00 H new ATOM 0 HE ARG A 10 1.490 11.344 3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.382 13.534 1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.921 14.725 1.214 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.137 12.816 3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.920 14.317 2.306 1.00 0.00 H new ATOM 147 N THR A 11 1.042 6.992 2.144 1.00 0.00 N ATOM 148 CA THR A 11 2.236 6.582 2.820 1.00 0.00 C ATOM 149 C THR A 11 2.499 7.464 4.049 1.00 0.00 C ATOM 150 O THR A 11 2.356 8.694 3.971 1.00 0.00 O ATOM 151 CB THR A 11 3.356 6.811 1.841 1.00 0.00 C ATOM 152 OG1 THR A 11 3.249 8.192 1.422 1.00 0.00 O ATOM 153 CG2 THR A 11 3.184 5.918 0.627 1.00 0.00 C ATOM 0 H THR A 11 1.213 7.289 1.183 1.00 0.00 H new ATOM 0 HA THR A 11 2.153 5.546 3.149 1.00 0.00 H new ATOM 0 HB THR A 11 4.321 6.590 2.296 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.800 8.712 2.121 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.001 6.094 -0.073 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.192 4.874 0.939 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.235 6.144 0.141 1.00 0.00 H new ATOM 161 N LEU A 12 2.854 6.858 5.151 1.00 0.00 N ATOM 162 CA LEU A 12 3.195 7.612 6.344 1.00 0.00 C ATOM 163 C LEU A 12 4.690 7.541 6.590 1.00 0.00 C ATOM 164 O LEU A 12 5.261 8.381 7.270 1.00 0.00 O ATOM 165 CB LEU A 12 2.462 7.041 7.554 1.00 0.00 C ATOM 166 CG LEU A 12 0.941 7.089 7.508 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.362 6.351 8.699 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.463 8.533 7.497 1.00 0.00 C ATOM 0 H LEU A 12 2.917 5.845 5.255 1.00 0.00 H new ATOM 0 HA LEU A 12 2.897 8.650 6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.767 6.002 7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.794 7.581 8.441 1.00 0.00 H new ATOM 0 HG LEU A 12 0.599 6.602 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.726 6.391 8.658 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.688 5.311 8.676 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.707 6.820 9.620 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.626 8.555 7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.809 9.038 8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.863 9.042 6.620 1.00 0.00 H new ATOM 180 N PHE A 13 5.313 6.565 5.988 1.00 0.00 N ATOM 181 CA PHE A 13 6.730 6.327 6.122 1.00 0.00 C ATOM 182 C PHE A 13 7.210 5.749 4.825 1.00 0.00 C ATOM 183 O PHE A 13 6.413 5.143 4.108 1.00 0.00 O ATOM 184 CB PHE A 13 7.034 5.292 7.238 1.00 0.00 C ATOM 185 CG PHE A 13 6.731 5.715 8.648 1.00 0.00 C ATOM 186 CD1 PHE A 13 7.620 6.512 9.347 1.00 0.00 C ATOM 187 CD2 PHE A 13 5.577 5.289 9.283 1.00 0.00 C ATOM 188 CE1 PHE A 13 7.362 6.880 10.652 1.00 0.00 C ATOM 189 CE2 PHE A 13 5.314 5.658 10.588 1.00 0.00 C ATOM 190 CZ PHE A 13 6.207 6.453 11.271 1.00 0.00 C ATOM 0 H PHE A 13 4.843 5.897 5.377 1.00 0.00 H new ATOM 0 HA PHE A 13 7.223 7.266 6.375 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.468 4.385 7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.090 5.029 7.181 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.526 6.850 8.866 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.875 4.662 8.753 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.064 7.502 11.187 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.409 5.323 11.072 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.002 6.742 12.291 1.00 0.00 H new ATOM 200 N PRO A 14 8.478 5.949 4.470 1.00 0.00 N ATOM 201 CA PRO A 14 9.054 5.295 3.314 1.00 0.00 C ATOM 202 C PRO A 14 9.291 3.815 3.628 1.00 0.00 C ATOM 203 O PRO A 14 9.565 3.443 4.787 1.00 0.00 O ATOM 204 CB PRO A 14 10.385 6.025 3.107 1.00 0.00 C ATOM 205 CG PRO A 14 10.747 6.535 4.457 1.00 0.00 C ATOM 206 CD PRO A 14 9.447 6.840 5.147 1.00 0.00 C ATOM 0 HA PRO A 14 8.417 5.334 2.430 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.150 5.352 2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.283 6.839 2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.320 5.793 5.014 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.368 7.428 4.383 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.502 6.634 6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.171 7.889 5.038 1.00 0.00 H new ATOM 214 N TYR A 15 9.187 2.988 2.643 1.00 0.00 N ATOM 215 CA TYR A 15 9.345 1.576 2.832 1.00 0.00 C ATOM 216 C TYR A 15 10.135 1.004 1.692 1.00 0.00 C ATOM 217 O TYR A 15 9.880 1.330 0.528 1.00 0.00 O ATOM 218 CB TYR A 15 7.975 0.916 2.940 1.00 0.00 C ATOM 219 CG TYR A 15 7.981 -0.579 3.161 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.411 -1.120 4.359 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.511 -1.443 2.188 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.375 -2.477 4.584 1.00 0.00 C ATOM 223 CE2 TYR A 15 7.479 -2.801 2.398 1.00 0.00 C ATOM 224 CZ TYR A 15 7.911 -3.314 3.601 1.00 0.00 C ATOM 225 OH TYR A 15 7.847 -4.668 3.836 1.00 0.00 O ATOM 0 H TYR A 15 8.990 3.267 1.682 1.00 0.00 H new ATOM 0 HA TYR A 15 9.888 1.383 3.757 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.431 1.383 3.761 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.418 1.127 2.027 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.782 -0.465 5.133 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.163 -1.043 1.247 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.710 -2.881 5.528 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.117 -3.462 1.624 1.00 0.00 H new ATOM 0 HH TYR A 15 7.285 -5.092 3.154 1.00 0.00 H new ATOM 235 N THR A 16 11.102 0.208 2.012 1.00 0.00 N ATOM 236 CA THR A 16 11.922 -0.410 1.028 1.00 0.00 C ATOM 237 C THR A 16 11.571 -1.882 0.947 1.00 0.00 C ATOM 238 O THR A 16 11.468 -2.554 1.975 1.00 0.00 O ATOM 239 CB THR A 16 13.407 -0.252 1.404 1.00 0.00 C ATOM 240 OG1 THR A 16 13.657 1.122 1.760 1.00 0.00 O ATOM 241 CG2 THR A 16 14.304 -0.629 0.231 1.00 0.00 C ATOM 0 H THR A 16 11.346 -0.032 2.973 1.00 0.00 H new ATOM 0 HA THR A 16 11.751 0.065 0.062 1.00 0.00 H new ATOM 0 HB THR A 16 13.628 -0.912 2.243 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.600 1.231 2.002 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.349 -0.510 0.519 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.121 -1.666 -0.049 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.085 0.019 -0.617 1.00 0.00 H new ATOM 249 N GLY A 17 11.337 -2.361 -0.246 1.00 0.00 N ATOM 250 CA GLY A 17 11.062 -3.748 -0.436 1.00 0.00 C ATOM 251 C GLY A 17 12.335 -4.524 -0.645 1.00 0.00 C ATOM 252 O GLY A 17 13.222 -4.069 -1.361 1.00 0.00 O ATOM 0 H GLY A 17 11.333 -1.803 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.531 -4.140 0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.406 -3.878 -1.297 1.00 0.00 H new ATOM 256 N THR A 18 12.425 -5.690 -0.047 1.00 0.00 N ATOM 257 CA THR A 18 13.603 -6.507 -0.152 1.00 0.00 C ATOM 258 C THR A 18 13.414 -7.438 -1.322 1.00 0.00 C ATOM 259 O THR A 18 14.364 -8.021 -1.866 1.00 0.00 O ATOM 260 CB THR A 18 13.878 -7.318 1.156 1.00 0.00 C ATOM 261 OG1 THR A 18 15.093 -8.058 1.033 1.00 0.00 O ATOM 262 CG2 THR A 18 12.742 -8.282 1.474 1.00 0.00 C ATOM 0 H THR A 18 11.683 -6.094 0.524 1.00 0.00 H new ATOM 0 HA THR A 18 14.471 -5.866 -0.303 1.00 0.00 H new ATOM 0 HB THR A 18 13.959 -6.597 1.970 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.255 -8.560 1.859 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.972 -8.826 2.390 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.816 -7.722 1.607 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.624 -8.988 0.652 1.00 0.00 H new ATOM 270 N ASN A 19 12.186 -7.542 -1.727 1.00 0.00 N ATOM 271 CA ASN A 19 11.831 -8.334 -2.828 1.00 0.00 C ATOM 272 C ASN A 19 11.068 -7.465 -3.798 1.00 0.00 C ATOM 273 O ASN A 19 10.724 -6.326 -3.457 1.00 0.00 O ATOM 274 CB ASN A 19 11.051 -9.597 -2.417 1.00 0.00 C ATOM 275 CG ASN A 19 9.670 -9.370 -1.836 1.00 0.00 C ATOM 276 OD1 ASN A 19 8.691 -9.263 -2.569 1.00 0.00 O ATOM 277 ND2 ASN A 19 9.562 -9.370 -0.531 1.00 0.00 N ATOM 0 H ASN A 19 11.401 -7.065 -1.284 1.00 0.00 H new ATOM 0 HA ASN A 19 12.730 -8.714 -3.313 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.953 -10.239 -3.292 1.00 0.00 H new ATOM 0 HB3 ASN A 19 11.645 -10.144 -1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.644 -9.279 -0.095 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.396 -9.461 0.050 1.00 0.00 H new ATOM 284 N GLU A 20 10.823 -7.956 -4.972 1.00 0.00 N ATOM 285 CA GLU A 20 10.202 -7.167 -6.024 1.00 0.00 C ATOM 286 C GLU A 20 8.706 -7.004 -5.843 1.00 0.00 C ATOM 287 O GLU A 20 8.135 -5.995 -6.253 1.00 0.00 O ATOM 288 CB GLU A 20 10.547 -7.752 -7.379 1.00 0.00 C ATOM 289 CG GLU A 20 12.012 -7.577 -7.726 1.00 0.00 C ATOM 290 CD GLU A 20 12.359 -6.133 -7.983 1.00 0.00 C ATOM 291 OE1 GLU A 20 12.550 -5.344 -7.019 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.394 -5.734 -9.164 1.00 0.00 O ATOM 0 H GLU A 20 11.043 -8.915 -5.242 1.00 0.00 H new ATOM 0 HA GLU A 20 10.610 -6.158 -5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.298 -8.813 -7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.935 -7.275 -8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.627 -7.959 -6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.250 -8.170 -8.609 1.00 0.00 H new ATOM 299 N ASP A 21 8.081 -7.963 -5.200 1.00 0.00 N ATOM 300 CA ASP A 21 6.635 -7.910 -4.967 1.00 0.00 C ATOM 301 C ASP A 21 6.331 -7.062 -3.730 1.00 0.00 C ATOM 302 O ASP A 21 5.205 -6.675 -3.467 1.00 0.00 O ATOM 303 CB ASP A 21 6.063 -9.329 -4.839 1.00 0.00 C ATOM 304 CG ASP A 21 4.569 -9.368 -4.586 1.00 0.00 C ATOM 305 OD1 ASP A 21 3.777 -9.213 -5.553 1.00 0.00 O ATOM 306 OD2 ASP A 21 4.165 -9.611 -3.441 1.00 0.00 O ATOM 0 H ASP A 21 8.540 -8.793 -4.825 1.00 0.00 H new ATOM 0 HA ASP A 21 6.151 -7.436 -5.821 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.282 -9.882 -5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.573 -9.844 -4.025 1.00 0.00 H new ATOM 311 N GLU A 22 7.354 -6.766 -2.993 1.00 0.00 N ATOM 312 CA GLU A 22 7.247 -5.921 -1.845 1.00 0.00 C ATOM 313 C GLU A 22 7.404 -4.494 -2.347 1.00 0.00 C ATOM 314 O GLU A 22 8.496 -4.080 -2.765 1.00 0.00 O ATOM 315 CB GLU A 22 8.324 -6.320 -0.849 1.00 0.00 C ATOM 316 CG GLU A 22 8.212 -5.702 0.514 1.00 0.00 C ATOM 317 CD GLU A 22 9.129 -6.380 1.501 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.324 -6.134 1.480 1.00 0.00 O ATOM 319 OE2 GLU A 22 8.643 -7.175 2.323 1.00 0.00 O ATOM 0 H GLU A 22 8.298 -7.108 -3.173 1.00 0.00 H new ATOM 0 HA GLU A 22 6.291 -6.012 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.307 -7.404 -0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.295 -6.058 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.457 -4.642 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.182 -5.772 0.864 1.00 0.00 H new ATOM 326 N LEU A 23 6.309 -3.774 -2.354 1.00 0.00 N ATOM 327 CA LEU A 23 6.235 -2.482 -3.006 1.00 0.00 C ATOM 328 C LEU A 23 7.018 -1.423 -2.228 1.00 0.00 C ATOM 329 O LEU A 23 6.919 -1.319 -1.011 1.00 0.00 O ATOM 330 CB LEU A 23 4.740 -2.111 -3.251 1.00 0.00 C ATOM 331 CG LEU A 23 4.403 -0.968 -4.246 1.00 0.00 C ATOM 332 CD1 LEU A 23 4.615 0.405 -3.638 1.00 0.00 C ATOM 333 CD2 LEU A 23 5.224 -1.104 -5.518 1.00 0.00 C ATOM 0 H LEU A 23 5.439 -4.065 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 23 6.717 -2.529 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.230 -3.010 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.304 -1.848 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 23 3.344 -1.062 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.366 1.171 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.974 0.519 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.658 0.514 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.973 -0.293 -6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.285 -1.056 -5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.004 -2.060 -5.993 1.00 0.00 H new ATOM 345 N THR A 24 7.803 -0.666 -2.952 1.00 0.00 N ATOM 346 CA THR A 24 8.669 0.332 -2.379 1.00 0.00 C ATOM 347 C THR A 24 8.063 1.729 -2.567 1.00 0.00 C ATOM 348 O THR A 24 7.803 2.165 -3.695 1.00 0.00 O ATOM 349 CB THR A 24 10.058 0.232 -3.053 1.00 0.00 C ATOM 350 OG1 THR A 24 10.593 -1.091 -2.815 1.00 0.00 O ATOM 351 CG2 THR A 24 11.025 1.280 -2.527 1.00 0.00 C ATOM 0 H THR A 24 7.859 -0.727 -3.969 1.00 0.00 H new ATOM 0 HA THR A 24 8.779 0.161 -1.308 1.00 0.00 H new ATOM 0 HB THR A 24 9.936 0.413 -4.121 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.473 -1.169 -3.239 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.987 1.172 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.624 2.275 -2.721 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.158 1.146 -1.454 1.00 0.00 H new ATOM 359 N PHE A 25 7.828 2.408 -1.471 1.00 0.00 N ATOM 360 CA PHE A 25 7.213 3.711 -1.504 1.00 0.00 C ATOM 361 C PHE A 25 7.928 4.716 -0.619 1.00 0.00 C ATOM 362 O PHE A 25 8.708 4.336 0.269 1.00 0.00 O ATOM 363 CB PHE A 25 5.714 3.631 -1.194 1.00 0.00 C ATOM 364 CG PHE A 25 5.354 2.858 0.046 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.348 3.463 1.284 1.00 0.00 C ATOM 366 CD2 PHE A 25 4.995 1.526 -0.043 1.00 0.00 C ATOM 367 CE1 PHE A 25 4.994 2.760 2.407 1.00 0.00 C ATOM 368 CE2 PHE A 25 4.638 0.817 1.075 1.00 0.00 C ATOM 369 CZ PHE A 25 4.637 1.431 2.303 1.00 0.00 C ATOM 0 H PHE A 25 8.057 2.074 -0.535 1.00 0.00 H new ATOM 0 HA PHE A 25 7.314 4.082 -2.524 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.325 4.645 -1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.207 3.176 -2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.625 4.503 1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.996 1.037 -1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.995 3.246 3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.358 -0.223 0.990 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.357 0.875 3.186 1.00 0.00 H new ATOM 379 N ARG A 26 7.670 5.973 -0.877 1.00 0.00 N ATOM 380 CA ARG A 26 8.242 7.090 -0.144 1.00 0.00 C ATOM 381 C ARG A 26 7.131 7.753 0.651 1.00 0.00 C ATOM 382 O ARG A 26 5.977 7.437 0.445 1.00 0.00 O ATOM 383 CB ARG A 26 8.776 8.096 -1.144 1.00 0.00 C ATOM 384 CG ARG A 26 9.753 7.516 -2.131 1.00 0.00 C ATOM 385 CD ARG A 26 9.979 8.471 -3.268 1.00 0.00 C ATOM 386 NE ARG A 26 10.890 7.931 -4.277 1.00 0.00 N ATOM 387 CZ ARG A 26 10.547 7.649 -5.537 1.00 0.00 C ATOM 388 NH1 ARG A 26 9.259 7.651 -5.904 1.00 0.00 N ATOM 389 NH2 ARG A 26 11.482 7.301 -6.418 1.00 0.00 N ATOM 0 H ARG A 26 7.038 6.263 -1.624 1.00 0.00 H new ATOM 0 HA ARG A 26 9.039 6.748 0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.938 8.531 -1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.260 8.909 -0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.699 7.303 -1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.374 6.568 -2.514 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.023 8.708 -3.735 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.384 9.405 -2.879 1.00 0.00 H new ATOM 0 HE ARG A 26 11.856 7.757 -3.999 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.534 7.869 -5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.003 7.435 -6.867 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.459 7.250 -6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.221 7.085 -7.380 1.00 0.00 H new ATOM 403 N GLU A 27 7.466 8.681 1.520 1.00 0.00 N ATOM 404 CA GLU A 27 6.459 9.383 2.285 1.00 0.00 C ATOM 405 C GLU A 27 5.945 10.536 1.443 1.00 0.00 C ATOM 406 O GLU A 27 6.680 11.482 1.131 1.00 0.00 O ATOM 407 CB GLU A 27 7.036 9.885 3.631 1.00 0.00 C ATOM 408 CG GLU A 27 6.010 10.425 4.665 1.00 0.00 C ATOM 409 CD GLU A 27 5.259 11.683 4.243 1.00 0.00 C ATOM 410 OE1 GLU A 27 5.871 12.765 4.198 1.00 0.00 O ATOM 411 OE2 GLU A 27 4.036 11.614 3.977 1.00 0.00 O ATOM 0 H GLU A 27 8.426 8.967 1.714 1.00 0.00 H new ATOM 0 HA GLU A 27 5.637 8.709 2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.587 9.066 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.756 10.675 3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.283 9.641 4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.534 10.631 5.598 1.00 0.00 H new ATOM 418 N GLY A 28 4.716 10.440 1.066 1.00 0.00 N ATOM 419 CA GLY A 28 4.090 11.461 0.294 1.00 0.00 C ATOM 420 C GLY A 28 3.575 10.936 -1.016 1.00 0.00 C ATOM 421 O GLY A 28 3.416 11.697 -1.979 1.00 0.00 O ATOM 0 H GLY A 28 4.113 9.647 1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.265 11.892 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.803 12.264 0.108 1.00 0.00 H new ATOM 425 N GLU A 29 3.313 9.653 -1.079 1.00 0.00 N ATOM 426 CA GLU A 29 2.812 9.054 -2.290 1.00 0.00 C ATOM 427 C GLU A 29 1.448 8.420 -2.024 1.00 0.00 C ATOM 428 O GLU A 29 1.170 7.963 -0.901 1.00 0.00 O ATOM 429 CB GLU A 29 3.829 8.040 -2.861 1.00 0.00 C ATOM 430 CG GLU A 29 5.218 8.656 -3.083 1.00 0.00 C ATOM 431 CD GLU A 29 6.218 7.735 -3.749 1.00 0.00 C ATOM 432 OE1 GLU A 29 6.437 6.611 -3.266 1.00 0.00 O ATOM 433 OE2 GLU A 29 6.863 8.161 -4.747 1.00 0.00 O ATOM 0 H GLU A 29 3.439 9.003 -0.303 1.00 0.00 H new ATOM 0 HA GLU A 29 2.679 9.825 -3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.916 7.195 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.454 7.649 -3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.110 9.554 -3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.619 8.971 -2.120 1.00 0.00 H new ATOM 440 N ILE A 30 0.595 8.432 -3.021 1.00 0.00 N ATOM 441 CA ILE A 30 -0.740 7.883 -2.891 1.00 0.00 C ATOM 442 C ILE A 30 -0.770 6.505 -3.512 1.00 0.00 C ATOM 443 O ILE A 30 -0.504 6.344 -4.703 1.00 0.00 O ATOM 444 CB ILE A 30 -1.816 8.785 -3.580 1.00 0.00 C ATOM 445 CG1 ILE A 30 -1.835 10.201 -2.963 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.211 8.146 -3.507 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.199 10.246 -1.490 1.00 0.00 C ATOM 0 H ILE A 30 0.802 8.820 -3.941 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.981 7.833 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.541 8.875 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.852 10.653 -3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.545 10.815 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.936 8.798 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.195 7.180 -4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.493 8.006 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.187 11.279 -1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.195 9.828 -1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.476 9.663 -0.919 1.00 0.00 H new ATOM 459 N ILE A 31 -1.087 5.529 -2.726 1.00 0.00 N ATOM 460 CA ILE A 31 -1.118 4.177 -3.188 1.00 0.00 C ATOM 461 C ILE A 31 -2.564 3.776 -3.401 1.00 0.00 C ATOM 462 O ILE A 31 -3.435 4.088 -2.564 1.00 0.00 O ATOM 463 CB ILE A 31 -0.455 3.214 -2.158 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.976 3.667 -1.839 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.449 1.773 -2.680 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.662 2.826 -0.782 1.00 0.00 C ATOM 0 H ILE A 31 -1.333 5.645 -1.743 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.558 4.107 -4.120 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.045 3.245 -1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.568 3.639 -2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.953 4.705 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.019 1.121 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.474 1.445 -2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.112 1.726 -3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.669 3.207 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.093 2.874 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.718 1.791 -1.120 1.00 0.00 H new ATOM 478 N HIS A 32 -2.817 3.084 -4.476 1.00 0.00 N ATOM 479 CA HIS A 32 -4.135 2.615 -4.792 1.00 0.00 C ATOM 480 C HIS A 32 -4.269 1.272 -4.130 1.00 0.00 C ATOM 481 O HIS A 32 -3.568 0.333 -4.479 1.00 0.00 O ATOM 482 CB HIS A 32 -4.293 2.488 -6.323 1.00 0.00 C ATOM 483 CG HIS A 32 -5.655 2.052 -6.797 1.00 0.00 C ATOM 484 ND1 HIS A 32 -6.556 2.887 -7.417 1.00 0.00 N ATOM 485 CD2 HIS A 32 -6.247 0.831 -6.760 1.00 0.00 C ATOM 486 CE1 HIS A 32 -7.637 2.175 -7.725 1.00 0.00 C ATOM 487 NE2 HIS A 32 -7.500 0.913 -7.349 1.00 0.00 N ATOM 0 H HIS A 32 -2.108 2.828 -5.163 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.905 3.302 -4.442 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.060 3.451 -6.777 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.554 1.776 -6.690 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.811 -0.063 -6.339 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.512 2.574 -8.217 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -8.175 0.158 -7.468 1.00 0.00 H new ATOM 495 N LEU A 33 -5.120 1.202 -3.159 1.00 0.00 N ATOM 496 CA LEU A 33 -5.268 0.025 -2.360 1.00 0.00 C ATOM 497 C LEU A 33 -6.048 -1.018 -3.165 1.00 0.00 C ATOM 498 O LEU A 33 -7.152 -0.759 -3.628 1.00 0.00 O ATOM 499 CB LEU A 33 -5.980 0.429 -1.053 1.00 0.00 C ATOM 500 CG LEU A 33 -5.936 -0.520 0.147 1.00 0.00 C ATOM 501 CD1 LEU A 33 -6.544 0.180 1.339 1.00 0.00 C ATOM 502 CD2 LEU A 33 -6.694 -1.794 -0.117 1.00 0.00 C ATOM 0 H LEU A 33 -5.740 1.967 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.309 -0.421 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.560 1.383 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.028 0.607 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.896 -0.784 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.520 -0.485 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.975 1.083 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.577 0.447 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.638 -2.439 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.737 -1.560 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.257 -2.307 -0.974 1.00 0.00 H new ATOM 514 N ILE A 34 -5.450 -2.166 -3.348 1.00 0.00 N ATOM 515 CA ILE A 34 -6.059 -3.233 -4.108 1.00 0.00 C ATOM 516 C ILE A 34 -6.745 -4.230 -3.170 1.00 0.00 C ATOM 517 O ILE A 34 -7.836 -4.724 -3.458 1.00 0.00 O ATOM 518 CB ILE A 34 -5.014 -3.957 -5.022 1.00 0.00 C ATOM 519 CG1 ILE A 34 -4.449 -2.988 -6.075 1.00 0.00 C ATOM 520 CG2 ILE A 34 -5.613 -5.180 -5.697 1.00 0.00 C ATOM 521 CD1 ILE A 34 -3.512 -3.640 -7.069 1.00 0.00 C ATOM 0 H ILE A 34 -4.527 -2.391 -2.976 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.813 -2.792 -4.761 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.199 -4.295 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.278 -2.532 -6.617 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.920 -2.182 -5.566 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.858 -5.656 -6.323 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.952 -5.885 -4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.458 -4.877 -6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.156 -2.892 -7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.662 -4.071 -6.539 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.042 -4.427 -7.606 1.00 0.00 H new ATOM 533 N SER A 35 -6.123 -4.508 -2.045 1.00 0.00 N ATOM 534 CA SER A 35 -6.697 -5.418 -1.083 1.00 0.00 C ATOM 535 C SER A 35 -6.066 -5.210 0.278 1.00 0.00 C ATOM 536 O SER A 35 -4.858 -5.002 0.380 1.00 0.00 O ATOM 537 CB SER A 35 -6.510 -6.873 -1.534 1.00 0.00 C ATOM 538 OG SER A 35 -7.190 -7.769 -0.663 1.00 0.00 O ATOM 0 H SER A 35 -5.220 -4.116 -1.776 1.00 0.00 H new ATOM 0 HA SER A 35 -7.765 -5.212 -1.013 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.885 -6.993 -2.550 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.448 -7.117 -1.555 1.00 0.00 H new ATOM 0 HG SER A 35 -6.535 -8.278 -0.141 1.00 0.00 H new ATOM 544 N LYS A 36 -6.888 -5.246 1.309 1.00 0.00 N ATOM 545 CA LYS A 36 -6.430 -5.113 2.688 1.00 0.00 C ATOM 546 C LYS A 36 -6.094 -6.479 3.266 1.00 0.00 C ATOM 547 O LYS A 36 -5.571 -6.589 4.369 1.00 0.00 O ATOM 548 CB LYS A 36 -7.497 -4.429 3.537 1.00 0.00 C ATOM 549 CG LYS A 36 -7.743 -2.981 3.164 1.00 0.00 C ATOM 550 CD LYS A 36 -9.021 -2.442 3.772 1.00 0.00 C ATOM 551 CE LYS A 36 -9.289 -1.034 3.282 1.00 0.00 C ATOM 552 NZ LYS A 36 -10.608 -0.537 3.700 1.00 0.00 N ATOM 0 H LYS A 36 -7.897 -5.369 1.219 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.530 -4.498 2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.432 -4.982 3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.201 -4.479 4.585 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.901 -2.374 3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.793 -2.891 2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.857 -3.090 3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.944 -2.446 4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.515 -0.367 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.223 -1.012 2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.717 0.453 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.352 -1.116 3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.689 -0.595 4.735 1.00 0.00 H new ATOM 566 N GLU A 37 -6.421 -7.515 2.535 1.00 0.00 N ATOM 567 CA GLU A 37 -6.089 -8.842 2.957 1.00 0.00 C ATOM 568 C GLU A 37 -5.331 -9.563 1.868 1.00 0.00 C ATOM 569 O GLU A 37 -5.728 -9.555 0.688 1.00 0.00 O ATOM 570 CB GLU A 37 -7.316 -9.635 3.415 1.00 0.00 C ATOM 571 CG GLU A 37 -8.414 -9.808 2.380 1.00 0.00 C ATOM 572 CD GLU A 37 -9.526 -10.668 2.902 1.00 0.00 C ATOM 573 OE1 GLU A 37 -10.409 -10.155 3.607 1.00 0.00 O ATOM 574 OE2 GLU A 37 -9.515 -11.896 2.663 1.00 0.00 O ATOM 0 H GLU A 37 -6.917 -7.460 1.645 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.442 -8.759 3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.987 -10.623 3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.740 -9.140 4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.808 -8.832 2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.998 -10.256 1.477 1.00 0.00 H new ATOM 581 N THR A 38 -4.233 -10.138 2.239 1.00 0.00 N ATOM 582 CA THR A 38 -3.388 -10.848 1.316 1.00 0.00 C ATOM 583 C THR A 38 -3.150 -12.263 1.822 1.00 0.00 C ATOM 584 O THR A 38 -2.174 -12.919 1.472 1.00 0.00 O ATOM 585 CB THR A 38 -2.045 -10.104 1.184 1.00 0.00 C ATOM 586 OG1 THR A 38 -1.547 -9.788 2.498 1.00 0.00 O ATOM 587 CG2 THR A 38 -2.203 -8.827 0.379 1.00 0.00 C ATOM 0 H THR A 38 -3.889 -10.132 3.199 1.00 0.00 H new ATOM 0 HA THR A 38 -3.872 -10.899 0.341 1.00 0.00 H new ATOM 0 HB THR A 38 -1.340 -10.751 0.661 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.840 -8.888 2.751 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.239 -8.323 0.303 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.566 -9.069 -0.620 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.917 -8.170 0.875 1.00 0.00 H new ATOM 595 N GLY A 39 -4.062 -12.734 2.637 1.00 0.00 N ATOM 596 CA GLY A 39 -3.901 -14.009 3.280 1.00 0.00 C ATOM 597 C GLY A 39 -3.545 -13.777 4.714 1.00 0.00 C ATOM 598 O GLY A 39 -4.024 -14.460 5.614 1.00 0.00 O ATOM 0 H GLY A 39 -4.928 -12.248 2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.821 -14.588 3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.121 -14.587 2.785 1.00 0.00 H new ATOM 602 N GLU A 40 -2.716 -12.780 4.908 1.00 0.00 N ATOM 603 CA GLU A 40 -2.307 -12.313 6.195 1.00 0.00 C ATOM 604 C GLU A 40 -3.050 -11.012 6.476 1.00 0.00 C ATOM 605 O GLU A 40 -3.220 -10.176 5.569 1.00 0.00 O ATOM 606 CB GLU A 40 -0.779 -12.076 6.198 1.00 0.00 C ATOM 607 CG GLU A 40 -0.219 -11.442 7.472 1.00 0.00 C ATOM 608 CD GLU A 40 -0.409 -12.284 8.709 1.00 0.00 C ATOM 609 OE1 GLU A 40 -1.538 -12.361 9.219 1.00 0.00 O ATOM 610 OE2 GLU A 40 0.583 -12.861 9.218 1.00 0.00 O ATOM 0 H GLU A 40 -2.296 -12.257 4.139 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.539 -13.047 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.279 -13.031 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.525 -11.437 5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.845 -11.252 7.334 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.698 -10.475 7.626 1.00 0.00 H new ATOM 617 N ALA A 41 -3.487 -10.841 7.695 1.00 0.00 N ATOM 618 CA ALA A 41 -4.191 -9.650 8.088 1.00 0.00 C ATOM 619 C ALA A 41 -3.189 -8.654 8.629 1.00 0.00 C ATOM 620 O ALA A 41 -2.685 -8.803 9.749 1.00 0.00 O ATOM 621 CB ALA A 41 -5.259 -9.968 9.123 1.00 0.00 C ATOM 0 H ALA A 41 -3.365 -11.523 8.443 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.699 -9.222 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.777 -9.051 9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.974 -10.675 8.702 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.792 -10.406 10.005 1.00 0.00 H new ATOM 627 N GLY A 42 -2.854 -7.689 7.820 1.00 0.00 N ATOM 628 CA GLY A 42 -1.873 -6.706 8.203 1.00 0.00 C ATOM 629 C GLY A 42 -1.064 -6.286 7.019 1.00 0.00 C ATOM 630 O GLY A 42 -0.544 -5.181 6.966 1.00 0.00 O ATOM 0 H GLY A 42 -3.246 -7.559 6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.369 -5.839 8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.218 -7.117 8.971 1.00 0.00 H new ATOM 634 N TRP A 43 -0.967 -7.174 6.066 1.00 0.00 N ATOM 635 CA TRP A 43 -0.283 -6.889 4.844 1.00 0.00 C ATOM 636 C TRP A 43 -1.280 -6.521 3.782 1.00 0.00 C ATOM 637 O TRP A 43 -2.222 -7.282 3.502 1.00 0.00 O ATOM 638 CB TRP A 43 0.596 -8.062 4.404 1.00 0.00 C ATOM 639 CG TRP A 43 1.857 -8.202 5.205 1.00 0.00 C ATOM 640 CD1 TRP A 43 1.980 -8.649 6.490 1.00 0.00 C ATOM 641 CD2 TRP A 43 3.181 -7.893 4.760 1.00 0.00 C ATOM 642 NE1 TRP A 43 3.297 -8.624 6.868 1.00 0.00 N ATOM 643 CE2 TRP A 43 4.055 -8.168 5.827 1.00 0.00 C ATOM 644 CE3 TRP A 43 3.710 -7.409 3.562 1.00 0.00 C ATOM 645 CZ2 TRP A 43 5.431 -7.973 5.731 1.00 0.00 C ATOM 646 CZ3 TRP A 43 5.073 -7.214 3.467 1.00 0.00 C ATOM 647 CH2 TRP A 43 5.920 -7.498 4.545 1.00 0.00 C ATOM 0 H TRP A 43 -1.361 -8.113 6.120 1.00 0.00 H new ATOM 0 HA TRP A 43 0.384 -6.042 5.008 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.021 -8.985 4.482 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.855 -7.936 3.353 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.161 -8.974 7.115 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.655 -8.902 7.782 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.064 -7.191 2.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.087 -8.189 6.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.493 -6.836 2.546 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.983 -7.339 4.438 1.00 0.00 H new ATOM 658 N TRP A 44 -1.062 -5.394 3.190 1.00 0.00 N ATOM 659 CA TRP A 44 -1.931 -4.843 2.202 1.00 0.00 C ATOM 660 C TRP A 44 -1.298 -4.957 0.864 1.00 0.00 C ATOM 661 O TRP A 44 -0.082 -5.038 0.748 1.00 0.00 O ATOM 662 CB TRP A 44 -2.203 -3.356 2.483 1.00 0.00 C ATOM 663 CG TRP A 44 -3.183 -3.087 3.575 1.00 0.00 C ATOM 664 CD1 TRP A 44 -3.717 -3.986 4.436 1.00 0.00 C ATOM 665 CD2 TRP A 44 -3.760 -1.821 3.912 1.00 0.00 C ATOM 666 NE1 TRP A 44 -4.609 -3.373 5.260 1.00 0.00 N ATOM 667 CE2 TRP A 44 -4.650 -2.044 4.971 1.00 0.00 C ATOM 668 CE3 TRP A 44 -3.611 -0.523 3.418 1.00 0.00 C ATOM 669 CZ2 TRP A 44 -5.398 -1.028 5.545 1.00 0.00 C ATOM 670 CZ3 TRP A 44 -4.354 0.491 3.994 1.00 0.00 C ATOM 671 CH2 TRP A 44 -5.237 0.229 5.047 1.00 0.00 C ATOM 0 H TRP A 44 -0.248 -4.812 3.386 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.871 -5.395 2.230 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.260 -2.871 2.735 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.566 -2.890 1.567 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.470 -5.037 4.464 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.161 -3.837 5.982 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.931 -0.316 2.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.083 -1.226 6.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.251 1.501 3.625 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.804 1.043 5.475 1.00 0.00 H new ATOM 682 N LYS A 45 -2.114 -4.994 -0.127 1.00 0.00 N ATOM 683 CA LYS A 45 -1.680 -5.045 -1.478 1.00 0.00 C ATOM 684 C LYS A 45 -2.142 -3.756 -2.118 1.00 0.00 C ATOM 685 O LYS A 45 -3.333 -3.401 -2.033 1.00 0.00 O ATOM 686 CB LYS A 45 -2.331 -6.263 -2.160 1.00 0.00 C ATOM 687 CG LYS A 45 -2.030 -6.466 -3.640 1.00 0.00 C ATOM 688 CD LYS A 45 -2.832 -7.656 -4.174 1.00 0.00 C ATOM 689 CE LYS A 45 -2.720 -7.810 -5.685 1.00 0.00 C ATOM 690 NZ LYS A 45 -1.371 -8.208 -6.138 1.00 0.00 N ATOM 0 H LYS A 45 -3.128 -4.990 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.598 -5.147 -1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.019 -7.159 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.411 -6.181 -2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.283 -5.565 -4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.964 -6.641 -3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.483 -8.570 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.880 -7.534 -3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.442 -8.554 -6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.991 -6.867 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.183 -7.795 -7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.662 -7.864 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.317 -9.245 -6.200 1.00 0.00 H new ATOM 704 N GLY A 46 -1.248 -3.080 -2.753 1.00 0.00 N ATOM 705 CA GLY A 46 -1.569 -1.826 -3.342 1.00 0.00 C ATOM 706 C GLY A 46 -0.764 -1.586 -4.568 1.00 0.00 C ATOM 707 O GLY A 46 0.270 -2.228 -4.768 1.00 0.00 O ATOM 0 H GLY A 46 -0.281 -3.378 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.630 -1.799 -3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.389 -1.027 -2.623 1.00 0.00 H new ATOM 711 N GLU A 47 -1.226 -0.690 -5.378 1.00 0.00 N ATOM 712 CA GLU A 47 -0.582 -0.366 -6.604 1.00 0.00 C ATOM 713 C GLU A 47 -0.129 1.075 -6.606 1.00 0.00 C ATOM 714 O GLU A 47 -0.877 1.992 -6.223 1.00 0.00 O ATOM 715 CB GLU A 47 -1.496 -0.727 -7.796 1.00 0.00 C ATOM 716 CG GLU A 47 -0.970 -0.406 -9.198 1.00 0.00 C ATOM 717 CD GLU A 47 -1.347 0.975 -9.676 1.00 0.00 C ATOM 718 OE1 GLU A 47 -2.533 1.178 -10.006 1.00 0.00 O ATOM 719 OE2 GLU A 47 -0.480 1.876 -9.740 1.00 0.00 O ATOM 0 H GLU A 47 -2.076 -0.155 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 47 0.323 -0.964 -6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.707 -1.795 -7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.446 -0.209 -7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.116 -0.500 -9.201 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.356 -1.144 -9.901 1.00 0.00 H new ATOM 726 N LEU A 48 1.096 1.252 -6.979 1.00 0.00 N ATOM 727 CA LEU A 48 1.716 2.531 -7.110 1.00 0.00 C ATOM 728 C LEU A 48 2.601 2.483 -8.330 1.00 0.00 C ATOM 729 O LEU A 48 3.371 1.537 -8.497 1.00 0.00 O ATOM 730 CB LEU A 48 2.549 2.861 -5.864 1.00 0.00 C ATOM 731 CG LEU A 48 3.318 4.193 -5.887 1.00 0.00 C ATOM 732 CD1 LEU A 48 2.372 5.379 -5.993 1.00 0.00 C ATOM 733 CD2 LEU A 48 4.201 4.318 -4.661 1.00 0.00 C ATOM 0 H LEU A 48 1.718 0.478 -7.210 1.00 0.00 H new ATOM 0 HA LEU A 48 0.958 3.308 -7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.884 2.865 -5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.267 2.055 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 48 3.952 4.197 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.948 6.304 -6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.791 5.300 -6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.698 5.384 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.737 5.266 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.584 4.281 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.917 3.496 -4.643 1.00 0.00 H new ATOM 745 N ASN A 49 2.420 3.446 -9.214 1.00 0.00 N ATOM 746 CA ASN A 49 3.217 3.609 -10.449 1.00 0.00 C ATOM 747 C ASN A 49 2.950 2.484 -11.433 1.00 0.00 C ATOM 748 O ASN A 49 3.683 2.307 -12.406 1.00 0.00 O ATOM 749 CB ASN A 49 4.734 3.698 -10.156 1.00 0.00 C ATOM 750 CG ASN A 49 5.099 4.812 -9.200 1.00 0.00 C ATOM 751 OD1 ASN A 49 4.430 5.848 -9.131 1.00 0.00 O ATOM 752 ND2 ASN A 49 6.160 4.618 -8.462 1.00 0.00 N ATOM 0 H ASN A 49 1.701 4.162 -9.105 1.00 0.00 H new ATOM 0 HA ASN A 49 2.902 4.552 -10.896 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.072 2.748 -9.741 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.269 3.845 -11.094 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.460 5.335 -7.802 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.688 3.749 -8.546 1.00 0.00 H new ATOM 759 N GLY A 50 1.878 1.750 -11.210 1.00 0.00 N ATOM 760 CA GLY A 50 1.564 0.637 -12.056 1.00 0.00 C ATOM 761 C GLY A 50 2.077 -0.656 -11.475 1.00 0.00 C ATOM 762 O GLY A 50 1.926 -1.714 -12.074 1.00 0.00 O ATOM 0 H GLY A 50 1.217 1.911 -10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.484 0.574 -12.191 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.000 0.793 -13.043 1.00 0.00 H new ATOM 766 N LYS A 51 2.698 -0.574 -10.315 1.00 0.00 N ATOM 767 CA LYS A 51 3.225 -1.739 -9.650 1.00 0.00 C ATOM 768 C LYS A 51 2.358 -2.093 -8.484 1.00 0.00 C ATOM 769 O LYS A 51 2.064 -1.247 -7.648 1.00 0.00 O ATOM 770 CB LYS A 51 4.670 -1.550 -9.159 1.00 0.00 C ATOM 771 CG LYS A 51 5.763 -1.580 -10.218 1.00 0.00 C ATOM 772 CD LYS A 51 5.694 -0.414 -11.191 1.00 0.00 C ATOM 773 CE LYS A 51 6.852 -0.443 -12.171 1.00 0.00 C ATOM 774 NZ LYS A 51 6.921 -1.717 -12.928 1.00 0.00 N ATOM 0 H LYS A 51 2.849 0.301 -9.812 1.00 0.00 H new ATOM 0 HA LYS A 51 3.232 -2.542 -10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.729 -0.595 -8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.885 -2.328 -8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.736 -1.576 -9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.692 -2.514 -10.776 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.752 -0.449 -11.738 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.707 0.525 -10.638 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.753 0.387 -12.870 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.786 -0.294 -11.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.590 -1.616 -13.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.242 -2.479 -12.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.979 -1.951 -13.301 1.00 0.00 H new ATOM 788 N GLU A 52 1.978 -3.319 -8.418 1.00 0.00 N ATOM 789 CA GLU A 52 1.154 -3.800 -7.352 1.00 0.00 C ATOM 790 C GLU A 52 1.965 -4.711 -6.487 1.00 0.00 C ATOM 791 O GLU A 52 2.533 -5.709 -6.960 1.00 0.00 O ATOM 792 CB GLU A 52 -0.133 -4.497 -7.850 1.00 0.00 C ATOM 793 CG GLU A 52 0.085 -5.579 -8.894 1.00 0.00 C ATOM 794 CD GLU A 52 -1.194 -6.258 -9.292 1.00 0.00 C ATOM 795 OE1 GLU A 52 -1.664 -7.135 -8.554 1.00 0.00 O ATOM 796 OE2 GLU A 52 -1.749 -5.929 -10.359 1.00 0.00 O ATOM 0 H GLU A 52 2.229 -4.029 -9.106 1.00 0.00 H new ATOM 0 HA GLU A 52 0.815 -2.941 -6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.644 -4.937 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.800 -3.741 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.550 -5.140 -9.777 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.781 -6.322 -8.504 1.00 0.00 H new ATOM 803 N GLY A 53 2.053 -4.379 -5.257 1.00 0.00 N ATOM 804 CA GLY A 53 2.815 -5.161 -4.361 1.00 0.00 C ATOM 805 C GLY A 53 2.183 -5.218 -3.023 1.00 0.00 C ATOM 806 O GLY A 53 1.077 -4.694 -2.833 1.00 0.00 O ATOM 0 H GLY A 53 1.603 -3.563 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.923 -6.171 -4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.818 -4.744 -4.274 1.00 0.00 H new ATOM 810 N VAL A 54 2.866 -5.812 -2.102 1.00 0.00 N ATOM 811 CA VAL A 54 2.371 -5.964 -0.760 1.00 0.00 C ATOM 812 C VAL A 54 3.240 -5.188 0.202 1.00 0.00 C ATOM 813 O VAL A 54 4.438 -4.968 -0.064 1.00 0.00 O ATOM 814 CB VAL A 54 2.283 -7.452 -0.320 1.00 0.00 C ATOM 815 CG1 VAL A 54 1.301 -8.220 -1.193 1.00 0.00 C ATOM 816 CG2 VAL A 54 3.650 -8.117 -0.353 1.00 0.00 C ATOM 0 H VAL A 54 3.792 -6.212 -2.253 1.00 0.00 H new ATOM 0 HA VAL A 54 1.356 -5.566 -0.745 1.00 0.00 H new ATOM 0 HB VAL A 54 1.920 -7.470 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.258 -9.259 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.311 -7.771 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.630 -8.181 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.556 -9.157 -0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.049 -8.077 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.325 -7.594 0.324 1.00 0.00 H new ATOM 826 N PHE A 55 2.639 -4.743 1.280 1.00 0.00 N ATOM 827 CA PHE A 55 3.308 -3.940 2.269 1.00 0.00 C ATOM 828 C PHE A 55 2.521 -3.988 3.593 1.00 0.00 C ATOM 829 O PHE A 55 1.316 -4.208 3.570 1.00 0.00 O ATOM 830 CB PHE A 55 3.417 -2.493 1.740 1.00 0.00 C ATOM 831 CG PHE A 55 2.096 -1.758 1.543 1.00 0.00 C ATOM 832 CD1 PHE A 55 1.399 -1.867 0.347 1.00 0.00 C ATOM 833 CD2 PHE A 55 1.567 -0.955 2.545 1.00 0.00 C ATOM 834 CE1 PHE A 55 0.211 -1.197 0.157 1.00 0.00 C ATOM 835 CE2 PHE A 55 0.378 -0.280 2.358 1.00 0.00 C ATOM 836 CZ PHE A 55 -0.302 -0.402 1.162 1.00 0.00 C ATOM 0 H PHE A 55 1.660 -4.932 1.495 1.00 0.00 H new ATOM 0 HA PHE A 55 4.310 -4.325 2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.031 -1.918 2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.946 -2.513 0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.794 -2.486 -0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.093 -0.858 3.483 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.320 -1.294 -0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.020 0.343 3.146 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.234 0.124 1.013 1.00 0.00 H new ATOM 846 N PRO A 56 3.182 -3.838 4.758 1.00 0.00 N ATOM 847 CA PRO A 56 2.489 -3.797 6.048 1.00 0.00 C ATOM 848 C PRO A 56 1.681 -2.496 6.192 1.00 0.00 C ATOM 849 O PRO A 56 2.170 -1.399 5.854 1.00 0.00 O ATOM 850 CB PRO A 56 3.625 -3.847 7.085 1.00 0.00 C ATOM 851 CG PRO A 56 4.846 -4.224 6.313 1.00 0.00 C ATOM 852 CD PRO A 56 4.631 -3.708 4.925 1.00 0.00 C ATOM 0 HA PRO A 56 1.776 -4.613 6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.752 -2.882 7.576 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.413 -4.577 7.866 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.740 -3.786 6.758 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.988 -5.305 6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.960 -2.674 4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.179 -4.293 4.186 1.00 0.00 H new ATOM 860 N ASP A 57 0.473 -2.614 6.720 1.00 0.00 N ATOM 861 CA ASP A 57 -0.481 -1.493 6.806 1.00 0.00 C ATOM 862 C ASP A 57 0.004 -0.366 7.722 1.00 0.00 C ATOM 863 O ASP A 57 -0.482 0.757 7.629 1.00 0.00 O ATOM 864 CB ASP A 57 -1.875 -1.965 7.276 1.00 0.00 C ATOM 865 CG ASP A 57 -2.048 -1.993 8.789 1.00 0.00 C ATOM 866 OD1 ASP A 57 -1.570 -2.943 9.451 1.00 0.00 O ATOM 867 OD2 ASP A 57 -2.689 -1.065 9.344 1.00 0.00 O ATOM 0 H ASP A 57 0.115 -3.488 7.105 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.555 -1.097 5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.632 -1.308 6.847 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.060 -2.964 6.882 1.00 0.00 H new ATOM 872 N ASN A 58 0.990 -0.645 8.567 1.00 0.00 N ATOM 873 CA ASN A 58 1.493 0.357 9.529 1.00 0.00 C ATOM 874 C ASN A 58 2.318 1.446 8.830 1.00 0.00 C ATOM 875 O ASN A 58 2.798 2.383 9.466 1.00 0.00 O ATOM 876 CB ASN A 58 2.315 -0.295 10.674 1.00 0.00 C ATOM 877 CG ASN A 58 3.684 -0.837 10.253 1.00 0.00 C ATOM 878 OD1 ASN A 58 3.809 -1.983 9.814 1.00 0.00 O ATOM 879 ND2 ASN A 58 4.719 -0.041 10.431 1.00 0.00 N ATOM 0 H ASN A 58 1.462 -1.548 8.614 1.00 0.00 H new ATOM 0 HA ASN A 58 0.616 0.826 9.975 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.459 0.442 11.464 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.732 -1.111 11.101 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.658 -0.367 10.204 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.581 0.901 10.796 1.00 0.00 H new ATOM 886 N PHE A 59 2.476 1.316 7.532 1.00 0.00 N ATOM 887 CA PHE A 59 3.213 2.282 6.745 1.00 0.00 C ATOM 888 C PHE A 59 2.289 3.213 5.971 1.00 0.00 C ATOM 889 O PHE A 59 2.761 4.142 5.307 1.00 0.00 O ATOM 890 CB PHE A 59 4.151 1.581 5.770 1.00 0.00 C ATOM 891 CG PHE A 59 5.331 0.929 6.405 1.00 0.00 C ATOM 892 CD1 PHE A 59 5.246 -0.347 6.922 1.00 0.00 C ATOM 893 CD2 PHE A 59 6.532 1.598 6.480 1.00 0.00 C ATOM 894 CE1 PHE A 59 6.341 -0.941 7.505 1.00 0.00 C ATOM 895 CE2 PHE A 59 7.628 1.015 7.057 1.00 0.00 C ATOM 896 CZ PHE A 59 7.534 -0.258 7.574 1.00 0.00 C ATOM 0 H PHE A 59 2.098 0.538 6.991 1.00 0.00 H new ATOM 0 HA PHE A 59 3.794 2.881 7.447 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.587 0.827 5.222 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.504 2.308 5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.311 -0.885 6.869 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.611 2.597 6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.265 -1.940 7.907 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.564 1.552 7.107 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.396 -0.720 8.033 1.00 0.00 H new ATOM 906 N ALA A 60 0.989 2.994 6.057 1.00 0.00 N ATOM 907 CA ALA A 60 0.064 3.799 5.288 1.00 0.00 C ATOM 908 C ALA A 60 -1.210 4.093 6.062 1.00 0.00 C ATOM 909 O ALA A 60 -1.568 3.372 6.994 1.00 0.00 O ATOM 910 CB ALA A 60 -0.263 3.112 3.969 1.00 0.00 C ATOM 0 H ALA A 60 0.558 2.278 6.641 1.00 0.00 H new ATOM 0 HA ALA A 60 0.550 4.753 5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.960 3.728 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.652 2.974 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.716 2.141 4.167 1.00 0.00 H new ATOM 916 N VAL A 61 -1.863 5.165 5.687 1.00 0.00 N ATOM 917 CA VAL A 61 -3.132 5.557 6.262 1.00 0.00 C ATOM 918 C VAL A 61 -4.177 5.567 5.149 1.00 0.00 C ATOM 919 O VAL A 61 -3.897 6.026 4.028 1.00 0.00 O ATOM 920 CB VAL A 61 -3.057 6.965 6.954 1.00 0.00 C ATOM 921 CG1 VAL A 61 -2.737 8.090 5.969 1.00 0.00 C ATOM 922 CG2 VAL A 61 -4.329 7.269 7.726 1.00 0.00 C ATOM 0 H VAL A 61 -1.526 5.801 4.964 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.404 4.842 7.038 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.228 6.917 7.660 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.698 9.040 6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.773 7.898 5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.512 8.135 5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.245 8.250 8.193 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.179 7.263 7.044 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.477 6.512 8.496 1.00 0.00 H new ATOM 932 N GLN A 62 -5.335 5.037 5.413 1.00 0.00 N ATOM 933 CA GLN A 62 -6.378 5.018 4.425 1.00 0.00 C ATOM 934 C GLN A 62 -7.041 6.385 4.362 1.00 0.00 C ATOM 935 O GLN A 62 -7.641 6.844 5.335 1.00 0.00 O ATOM 936 CB GLN A 62 -7.402 3.952 4.751 1.00 0.00 C ATOM 937 CG GLN A 62 -8.470 3.785 3.685 1.00 0.00 C ATOM 938 CD GLN A 62 -9.514 2.769 4.064 1.00 0.00 C ATOM 939 OE1 GLN A 62 -10.076 2.099 3.222 1.00 0.00 O ATOM 940 NE2 GLN A 62 -9.796 2.655 5.314 1.00 0.00 N ATOM 0 H GLN A 62 -5.583 4.611 6.306 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.942 4.784 3.454 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.890 3.000 4.892 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.882 4.199 5.698 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.952 4.746 3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.999 3.485 2.749 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.309 3.230 6.001 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.507 1.989 5.618 1.00 0.00 H new ATOM 949 N ILE A 63 -6.947 7.023 3.219 1.00 0.00 N ATOM 950 CA ILE A 63 -7.489 8.369 3.059 1.00 0.00 C ATOM 951 C ILE A 63 -8.948 8.340 2.647 1.00 0.00 C ATOM 952 O ILE A 63 -9.625 9.376 2.594 1.00 0.00 O ATOM 953 CB ILE A 63 -6.684 9.218 2.061 1.00 0.00 C ATOM 954 CG1 ILE A 63 -6.601 8.541 0.679 1.00 0.00 C ATOM 955 CG2 ILE A 63 -5.295 9.515 2.619 1.00 0.00 C ATOM 956 CD1 ILE A 63 -5.895 9.376 -0.375 1.00 0.00 C ATOM 0 H ILE A 63 -6.504 6.641 2.384 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.408 8.839 4.039 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.207 10.164 1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.080 7.589 0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.610 8.317 0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.736 10.117 1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.389 10.062 3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.766 8.578 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.877 8.831 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.427 10.318 -0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.873 9.579 -0.054 1.00 0.00 H new ATOM 968 N SER A 64 -9.396 7.181 2.329 1.00 0.00 N ATOM 969 CA SER A 64 -10.757 6.935 1.967 1.00 0.00 C ATOM 970 C SER A 64 -11.617 6.860 3.224 1.00 0.00 C ATOM 971 O SER A 64 -12.386 7.810 3.493 1.00 0.00 O ATOM 972 CB SER A 64 -10.819 5.650 1.181 1.00 0.00 C ATOM 973 OG SER A 64 -9.908 5.735 0.096 1.00 0.00 O ATOM 974 OXT SER A 64 -11.467 5.899 3.993 1.00 0.00 O ATOM 0 H SER A 64 -8.812 6.345 2.311 1.00 0.00 H new ATOM 0 HA SER A 64 -11.143 7.746 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.567 4.804 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.831 5.481 0.812 1.00 0.00 H new ATOM 0 HG SER A 64 -10.396 5.957 -0.724 1.00 0.00 H new