USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 416 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0375 USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.012 (180deg=-0.172) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.64) USER MOD Single : A 29 THR OG1 : rot 79:sc= 1.16 USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= 2.39 (180deg=2.26) USER MOD Single : A 39 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.02) USER MOD Single : A 40 MET CE :methyl 153:sc= 0 (180deg=-0.749) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.036 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0742 X(o=-0.074,f=-0.11) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.526 F(o=-1.9,f=-0.53) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 155 N THR A 25 3.357 -3.314 -10.220 1.00 0.00 N ATOM 156 CA THR A 25 2.858 -3.122 -11.569 1.00 0.00 C ATOM 157 C THR A 25 1.488 -2.451 -11.551 1.00 0.00 C ATOM 158 O THR A 25 0.785 -2.474 -10.531 1.00 0.00 O ATOM 159 CB THR A 25 2.784 -4.468 -12.326 1.00 0.00 C ATOM 160 OG1 THR A 25 2.324 -4.266 -13.667 1.00 0.00 O ATOM 161 CG2 THR A 25 1.864 -5.445 -11.614 1.00 0.00 C ATOM 0 HA THR A 25 3.556 -2.469 -12.093 1.00 0.00 H new ATOM 0 HB THR A 25 3.789 -4.889 -12.351 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.285 -5.127 -14.133 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.831 -6.383 -12.168 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.240 -5.631 -10.608 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.861 -5.023 -11.555 1.00 0.00 H new ATOM 169 N LYS A 26 1.119 -1.847 -12.674 1.00 0.00 N ATOM 170 CA LYS A 26 -0.161 -1.166 -12.801 1.00 0.00 C ATOM 171 C LYS A 26 -1.312 -2.121 -12.508 1.00 0.00 C ATOM 172 O LYS A 26 -2.267 -1.755 -11.829 1.00 0.00 O ATOM 173 CB LYS A 26 -0.309 -0.577 -14.204 1.00 0.00 C ATOM 174 CG LYS A 26 0.744 0.471 -14.534 1.00 0.00 C ATOM 175 CD LYS A 26 0.702 0.867 -16.002 1.00 0.00 C ATOM 176 CE LYS A 26 -0.640 1.470 -16.387 1.00 0.00 C ATOM 177 NZ LYS A 26 -0.963 2.677 -15.586 1.00 0.00 N ATOM 0 H LYS A 26 1.694 -1.816 -13.516 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.192 -0.356 -12.072 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.251 -1.383 -14.936 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.298 -0.130 -14.300 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.586 1.354 -13.914 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.733 0.083 -14.290 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.495 1.586 -16.207 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.897 -0.009 -16.620 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.629 1.731 -17.445 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.424 0.725 -16.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.785 3.159 -16.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.183 2.397 -14.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.147 3.322 -15.586 1.00 0.00 H new ATOM 191 N TYR A 27 -1.199 -3.351 -12.999 1.00 0.00 N ATOM 192 CA TYR A 27 -2.228 -4.366 -12.784 1.00 0.00 C ATOM 193 C TYR A 27 -2.454 -4.605 -11.298 1.00 0.00 C ATOM 194 O TYR A 27 -3.591 -4.615 -10.824 1.00 0.00 O ATOM 195 CB TYR A 27 -1.832 -5.679 -13.460 1.00 0.00 C ATOM 196 CG TYR A 27 -2.875 -6.768 -13.324 1.00 0.00 C ATOM 197 CD1 TYR A 27 -4.049 -6.729 -14.067 1.00 0.00 C ATOM 198 CD2 TYR A 27 -2.690 -7.830 -12.446 1.00 0.00 C ATOM 199 CE1 TYR A 27 -5.007 -7.717 -13.938 1.00 0.00 C ATOM 200 CE2 TYR A 27 -3.644 -8.820 -12.314 1.00 0.00 C ATOM 201 CZ TYR A 27 -4.800 -8.758 -13.060 1.00 0.00 C ATOM 202 OH TYR A 27 -5.754 -9.743 -12.925 1.00 0.00 O ATOM 0 H TYR A 27 -0.403 -3.671 -13.550 1.00 0.00 H new ATOM 0 HA TYR A 27 -3.155 -4.000 -13.225 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.649 -5.493 -14.518 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.894 -6.030 -13.031 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.215 -5.914 -14.756 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.786 -7.882 -11.858 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.914 -7.673 -14.523 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.484 -9.639 -11.629 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.452 -10.403 -12.267 1.00 0.00 H new ATOM 212 N GLN A 28 -1.360 -4.793 -10.570 1.00 0.00 N ATOM 213 CA GLN A 28 -1.423 -5.032 -9.136 1.00 0.00 C ATOM 214 C GLN A 28 -2.018 -3.825 -8.426 1.00 0.00 C ATOM 215 O GLN A 28 -2.875 -3.959 -7.549 1.00 0.00 O ATOM 216 CB GLN A 28 -0.022 -5.307 -8.598 1.00 0.00 C ATOM 217 CG GLN A 28 0.011 -5.722 -7.138 1.00 0.00 C ATOM 218 CD GLN A 28 1.423 -5.857 -6.615 1.00 0.00 C ATOM 219 OE1 GLN A 28 2.349 -6.142 -7.372 1.00 0.00 O ATOM 220 NE2 GLN A 28 1.603 -5.645 -5.322 1.00 0.00 N ATOM 0 H GLN A 28 -0.415 -4.784 -10.953 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.059 -5.898 -8.951 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.438 -6.092 -9.198 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.586 -4.411 -8.724 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.527 -4.986 -6.541 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.511 -6.672 -7.020 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.808 -5.411 -4.728 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.537 -5.716 -4.919 1.00 0.00 H new ATOM 229 N THR A 29 -1.554 -2.653 -8.825 1.00 0.00 N ATOM 230 CA THR A 29 -2.017 -1.403 -8.249 1.00 0.00 C ATOM 231 C THR A 29 -3.516 -1.219 -8.470 1.00 0.00 C ATOM 232 O THR A 29 -4.260 -0.960 -7.526 1.00 0.00 O ATOM 233 CB THR A 29 -1.249 -0.208 -8.849 1.00 0.00 C ATOM 234 OG1 THR A 29 0.163 -0.460 -8.783 1.00 0.00 O ATOM 235 CG2 THR A 29 -1.571 1.080 -8.106 1.00 0.00 C ATOM 0 H THR A 29 -0.849 -2.542 -9.554 1.00 0.00 H new ATOM 0 HA THR A 29 -1.827 -1.443 -7.177 1.00 0.00 H new ATOM 0 HB THR A 29 -1.557 -0.091 -9.888 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.422 -1.063 -9.511 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.015 1.905 -8.551 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.640 1.283 -8.176 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.289 0.976 -7.058 1.00 0.00 H new ATOM 243 N LEU A 30 -3.953 -1.391 -9.713 1.00 0.00 N ATOM 244 CA LEU A 30 -5.358 -1.237 -10.059 1.00 0.00 C ATOM 245 C LEU A 30 -6.225 -2.250 -9.324 1.00 0.00 C ATOM 246 O LEU A 30 -7.340 -1.941 -8.924 1.00 0.00 O ATOM 247 CB LEU A 30 -5.562 -1.404 -11.565 1.00 0.00 C ATOM 248 CG LEU A 30 -4.909 -0.338 -12.448 1.00 0.00 C ATOM 249 CD1 LEU A 30 -4.987 -0.749 -13.910 1.00 0.00 C ATOM 250 CD2 LEU A 30 -5.581 1.009 -12.239 1.00 0.00 C ATOM 0 H LEU A 30 -3.351 -1.638 -10.498 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.657 -0.233 -9.757 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.175 -2.379 -11.859 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.633 -1.412 -11.769 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.860 -0.246 -12.166 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.519 0.017 -14.529 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.466 -1.696 -14.050 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.031 -0.863 -14.201 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.105 1.756 -12.874 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.637 0.933 -12.498 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.484 1.306 -11.195 1.00 0.00 H new ATOM 262 N GLU A 31 -5.705 -3.456 -9.146 1.00 0.00 N ATOM 263 CA GLU A 31 -6.449 -4.512 -8.474 1.00 0.00 C ATOM 264 C GLU A 31 -6.744 -4.157 -7.025 1.00 0.00 C ATOM 265 O GLU A 31 -7.895 -4.226 -6.589 1.00 0.00 O ATOM 266 CB GLU A 31 -5.673 -5.828 -8.539 1.00 0.00 C ATOM 267 CG GLU A 31 -6.459 -7.029 -8.042 1.00 0.00 C ATOM 268 CD GLU A 31 -7.651 -7.349 -8.918 1.00 0.00 C ATOM 269 OE1 GLU A 31 -7.477 -7.463 -10.150 1.00 0.00 O ATOM 270 OE2 GLU A 31 -8.770 -7.493 -8.379 1.00 0.00 O ATOM 0 H GLU A 31 -4.772 -3.728 -9.457 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.401 -4.625 -8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.366 -6.008 -9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.762 -5.732 -7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.801 -7.897 -8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.801 -6.839 -7.025 1.00 0.00 H new ATOM 277 N LEU A 32 -5.720 -3.762 -6.288 1.00 0.00 N ATOM 278 CA LEU A 32 -5.910 -3.407 -4.893 1.00 0.00 C ATOM 279 C LEU A 32 -6.717 -2.128 -4.790 1.00 0.00 C ATOM 280 O LEU A 32 -7.650 -2.040 -3.991 1.00 0.00 O ATOM 281 CB LEU A 32 -4.571 -3.265 -4.172 1.00 0.00 C ATOM 282 CG LEU A 32 -3.984 -4.562 -3.600 1.00 0.00 C ATOM 283 CD1 LEU A 32 -3.636 -4.383 -2.132 1.00 0.00 C ATOM 284 CD2 LEU A 32 -4.942 -5.734 -3.777 1.00 0.00 C ATOM 0 H LEU A 32 -4.761 -3.680 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.461 -4.210 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.849 -2.836 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.692 -2.552 -3.357 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.074 -4.788 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.221 -5.312 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.902 -3.584 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.536 -4.124 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.494 -6.636 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.877 -5.521 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.141 -5.884 -4.838 1.00 0.00 H new ATOM 296 N GLU A 33 -6.368 -1.144 -5.609 1.00 0.00 N ATOM 297 CA GLU A 33 -7.078 0.118 -5.628 1.00 0.00 C ATOM 298 C GLU A 33 -8.562 -0.103 -5.917 1.00 0.00 C ATOM 299 O GLU A 33 -9.423 0.544 -5.321 1.00 0.00 O ATOM 300 CB GLU A 33 -6.464 1.019 -6.684 1.00 0.00 C ATOM 301 CG GLU A 33 -5.571 2.100 -6.106 1.00 0.00 C ATOM 302 CD GLU A 33 -4.992 3.018 -7.162 1.00 0.00 C ATOM 303 OE1 GLU A 33 -5.658 3.241 -8.195 1.00 0.00 O ATOM 304 OE2 GLU A 33 -3.872 3.538 -6.956 1.00 0.00 O ATOM 0 H GLU A 33 -5.593 -1.201 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.992 0.592 -4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.884 0.411 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.262 1.487 -7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.143 2.692 -5.392 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.756 1.633 -5.553 1.00 0.00 H new ATOM 311 N LYS A 34 -8.850 -1.036 -6.822 1.00 0.00 N ATOM 312 CA LYS A 34 -10.228 -1.359 -7.186 1.00 0.00 C ATOM 313 C LYS A 34 -10.987 -1.908 -5.985 1.00 0.00 C ATOM 314 O LYS A 34 -12.126 -1.511 -5.719 1.00 0.00 O ATOM 315 CB LYS A 34 -10.253 -2.378 -8.329 1.00 0.00 C ATOM 316 CG LYS A 34 -11.611 -3.029 -8.558 1.00 0.00 C ATOM 317 CD LYS A 34 -11.604 -3.928 -9.784 1.00 0.00 C ATOM 318 CE LYS A 34 -10.591 -5.056 -9.656 1.00 0.00 C ATOM 319 NZ LYS A 34 -11.067 -6.136 -8.750 1.00 0.00 N ATOM 0 H LYS A 34 -8.146 -1.583 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.716 -0.442 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.941 -1.883 -9.249 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.520 -3.157 -8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.887 -3.613 -7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.370 -2.256 -8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.599 -4.349 -9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.375 -3.334 -10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.388 -5.474 -10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.650 -4.656 -9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.394 -6.929 -8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.139 -5.769 -7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.001 -6.467 -9.065 1.00 0.00 H new ATOM 333 N GLU A 35 -10.344 -2.808 -5.253 1.00 0.00 N ATOM 334 CA GLU A 35 -10.956 -3.417 -4.082 1.00 0.00 C ATOM 335 C GLU A 35 -11.149 -2.387 -2.977 1.00 0.00 C ATOM 336 O GLU A 35 -12.114 -2.459 -2.216 1.00 0.00 O ATOM 337 CB GLU A 35 -10.107 -4.584 -3.577 1.00 0.00 C ATOM 338 CG GLU A 35 -9.962 -5.704 -4.593 1.00 0.00 C ATOM 339 CD GLU A 35 -11.294 -6.149 -5.165 1.00 0.00 C ATOM 340 OE1 GLU A 35 -11.944 -7.026 -4.559 1.00 0.00 O ATOM 341 OE2 GLU A 35 -11.700 -5.624 -6.222 1.00 0.00 O ATOM 0 H GLU A 35 -9.397 -3.132 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.935 -3.799 -4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.117 -4.215 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.555 -4.984 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.315 -5.371 -5.405 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.470 -6.555 -4.122 1.00 0.00 H new ATOM 348 N PHE A 36 -10.234 -1.429 -2.900 1.00 0.00 N ATOM 349 CA PHE A 36 -10.309 -0.379 -1.897 1.00 0.00 C ATOM 350 C PHE A 36 -11.440 0.586 -2.224 1.00 0.00 C ATOM 351 O PHE A 36 -12.149 1.047 -1.338 1.00 0.00 O ATOM 352 CB PHE A 36 -8.979 0.368 -1.820 1.00 0.00 C ATOM 353 CG PHE A 36 -8.962 1.482 -0.813 1.00 0.00 C ATOM 354 CD1 PHE A 36 -9.128 1.225 0.539 1.00 0.00 C ATOM 355 CD2 PHE A 36 -8.771 2.788 -1.224 1.00 0.00 C ATOM 356 CE1 PHE A 36 -9.102 2.253 1.462 1.00 0.00 C ATOM 357 CE2 PHE A 36 -8.746 3.821 -0.307 1.00 0.00 C ATOM 358 CZ PHE A 36 -8.912 3.554 1.039 1.00 0.00 C ATOM 0 H PHE A 36 -9.430 -1.359 -3.523 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.513 -0.834 -0.928 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.189 -0.342 -1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.746 0.777 -2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.279 0.210 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.640 3.003 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.230 2.039 2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.597 4.837 -0.642 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.893 4.360 1.758 1.00 0.00 H new ATOM 368 N LEU A 37 -11.600 0.885 -3.505 1.00 0.00 N ATOM 369 CA LEU A 37 -12.653 1.784 -3.953 1.00 0.00 C ATOM 370 C LEU A 37 -14.014 1.136 -3.759 1.00 0.00 C ATOM 371 O LEU A 37 -15.000 1.800 -3.442 1.00 0.00 O ATOM 372 CB LEU A 37 -12.448 2.155 -5.420 1.00 0.00 C ATOM 373 CG LEU A 37 -11.367 3.208 -5.675 1.00 0.00 C ATOM 374 CD1 LEU A 37 -11.056 3.305 -7.159 1.00 0.00 C ATOM 375 CD2 LEU A 37 -11.801 4.560 -5.128 1.00 0.00 C ATOM 0 H LEU A 37 -11.013 0.517 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.610 2.695 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.193 1.252 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.393 2.521 -5.822 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.459 2.903 -5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.285 4.059 -7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.701 2.340 -7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.958 3.586 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.021 5.297 -5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.722 4.872 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.971 4.480 -4.054 1.00 0.00 H new ATOM 387 N PHE A 38 -14.053 -0.168 -3.955 1.00 0.00 N ATOM 388 CA PHE A 38 -15.278 -0.939 -3.794 1.00 0.00 C ATOM 389 C PHE A 38 -15.623 -1.078 -2.323 1.00 0.00 C ATOM 390 O PHE A 38 -16.741 -0.787 -1.895 1.00 0.00 O ATOM 391 CB PHE A 38 -15.100 -2.329 -4.399 1.00 0.00 C ATOM 392 CG PHE A 38 -16.354 -2.896 -5.001 1.00 0.00 C ATOM 393 CD1 PHE A 38 -17.028 -2.215 -6.001 1.00 0.00 C ATOM 394 CD2 PHE A 38 -16.853 -4.113 -4.569 1.00 0.00 C ATOM 395 CE1 PHE A 38 -18.177 -2.738 -6.558 1.00 0.00 C ATOM 396 CE2 PHE A 38 -18.002 -4.642 -5.124 1.00 0.00 C ATOM 397 CZ PHE A 38 -18.664 -3.953 -6.120 1.00 0.00 C ATOM 0 H PHE A 38 -13.243 -0.724 -4.229 1.00 0.00 H new ATOM 0 HA PHE A 38 -16.086 -0.416 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.328 -2.284 -5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.741 -3.008 -3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.650 -1.265 -6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -16.338 -4.655 -3.789 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -18.695 -2.197 -7.336 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -18.381 -5.593 -4.779 1.00 0.00 H new ATOM 0 HZ PHE A 38 -19.562 -4.364 -6.556 1.00 0.00 H new ATOM 407 N ASN A 39 -14.644 -1.529 -1.559 1.00 0.00 N ATOM 408 CA ASN A 39 -14.805 -1.729 -0.128 1.00 0.00 C ATOM 409 C ASN A 39 -13.632 -1.115 0.620 1.00 0.00 C ATOM 410 O ASN A 39 -12.612 -1.773 0.834 1.00 0.00 O ATOM 411 CB ASN A 39 -14.899 -3.224 0.225 1.00 0.00 C ATOM 412 CG ASN A 39 -15.401 -4.088 -0.921 1.00 0.00 C ATOM 413 OD1 ASN A 39 -16.607 -4.278 -1.093 1.00 0.00 O ATOM 414 ND2 ASN A 39 -14.477 -4.629 -1.704 1.00 0.00 N ATOM 0 H ASN A 39 -13.717 -1.767 -1.911 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.734 -1.242 0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.916 -3.579 0.533 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.564 -3.346 1.080 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.755 -5.227 -2.482 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.489 -4.447 -1.528 1.00 0.00 H new ATOM 421 N MET A 40 -13.771 0.151 0.992 1.00 0.00 N ATOM 422 CA MET A 40 -12.732 0.862 1.730 1.00 0.00 C ATOM 423 C MET A 40 -12.509 0.201 3.081 1.00 0.00 C ATOM 424 O MET A 40 -11.389 0.153 3.596 1.00 0.00 O ATOM 425 CB MET A 40 -13.127 2.324 1.926 1.00 0.00 C ATOM 426 CG MET A 40 -12.573 3.254 0.864 1.00 0.00 C ATOM 427 SD MET A 40 -12.724 4.989 1.323 1.00 0.00 S ATOM 428 CE MET A 40 -11.878 5.771 -0.046 1.00 0.00 C ATOM 0 H MET A 40 -14.600 0.711 0.793 1.00 0.00 H new ATOM 0 HA MET A 40 -11.806 0.822 1.156 1.00 0.00 H new ATOM 0 HB2 MET A 40 -14.214 2.400 1.931 1.00 0.00 H new ATOM 0 HB3 MET A 40 -12.780 2.657 2.904 1.00 0.00 H new ATOM 0 HG2 MET A 40 -11.523 3.017 0.690 1.00 0.00 H new ATOM 0 HG3 MET A 40 -13.099 3.083 -0.075 1.00 0.00 H new ATOM 0 HE1 MET A 40 -12.269 6.779 -0.188 1.00 0.00 H new ATOM 0 HE2 MET A 40 -10.810 5.823 0.168 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.038 5.189 -0.953 1.00 0.00 H new ATOM 438 N TYR A 41 -13.594 -0.291 3.651 1.00 0.00 N ATOM 439 CA TYR A 41 -13.566 -0.967 4.915 1.00 0.00 C ATOM 440 C TYR A 41 -13.484 -2.466 4.682 1.00 0.00 C ATOM 441 O TYR A 41 -14.244 -3.016 3.883 1.00 0.00 O ATOM 442 CB TYR A 41 -14.824 -0.621 5.698 1.00 0.00 C ATOM 443 CG TYR A 41 -15.978 -0.136 4.845 1.00 0.00 C ATOM 444 CD1 TYR A 41 -16.821 -1.037 4.205 1.00 0.00 C ATOM 445 CD2 TYR A 41 -16.226 1.221 4.684 1.00 0.00 C ATOM 446 CE1 TYR A 41 -17.876 -0.598 3.431 1.00 0.00 C ATOM 447 CE2 TYR A 41 -17.281 1.667 3.910 1.00 0.00 C ATOM 448 CZ TYR A 41 -18.103 0.755 3.286 1.00 0.00 C ATOM 449 OH TYR A 41 -19.157 1.195 2.517 1.00 0.00 O ATOM 0 H TYR A 41 -14.524 -0.227 3.237 1.00 0.00 H new ATOM 0 HA TYR A 41 -12.694 -0.650 5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.145 -1.502 6.255 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.581 0.148 6.431 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -16.648 -2.097 4.315 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -15.584 1.940 5.172 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -18.522 -1.311 2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -17.460 2.726 3.795 1.00 0.00 H new ATOM 0 HH TYR A 41 -19.177 2.175 2.520 1.00 0.00 H new ATOM 459 N LEU A 42 -12.565 -3.121 5.367 1.00 0.00 N ATOM 460 CA LEU A 42 -12.384 -4.545 5.222 1.00 0.00 C ATOM 461 C LEU A 42 -12.020 -5.175 6.551 1.00 0.00 C ATOM 462 O LEU A 42 -11.845 -4.488 7.560 1.00 0.00 O ATOM 463 CB LEU A 42 -11.277 -4.839 4.206 1.00 0.00 C ATOM 464 CG LEU A 42 -11.709 -4.868 2.738 1.00 0.00 C ATOM 465 CD1 LEU A 42 -10.515 -5.153 1.840 1.00 0.00 C ATOM 466 CD2 LEU A 42 -12.798 -5.906 2.521 1.00 0.00 C ATOM 0 H LEU A 42 -11.930 -2.681 6.033 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.324 -4.970 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.496 -4.087 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.830 -5.802 4.453 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.112 -3.889 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.838 -5.170 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.765 -4.374 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.085 -6.120 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -13.092 -5.911 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.422 -6.891 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.662 -5.661 3.138 1.00 0.00 H new ATOM 478 N THR A 43 -11.902 -6.483 6.539 1.00 0.00 N ATOM 479 CA THR A 43 -11.537 -7.237 7.719 1.00 0.00 C ATOM 480 C THR A 43 -10.078 -7.649 7.635 1.00 0.00 C ATOM 481 O THR A 43 -9.507 -7.706 6.542 1.00 0.00 O ATOM 482 CB THR A 43 -12.408 -8.497 7.865 1.00 0.00 C ATOM 483 OG1 THR A 43 -12.904 -8.893 6.581 1.00 0.00 O ATOM 484 CG2 THR A 43 -13.571 -8.254 8.812 1.00 0.00 C ATOM 0 H THR A 43 -12.056 -7.056 5.710 1.00 0.00 H new ATOM 0 HA THR A 43 -11.697 -6.599 8.588 1.00 0.00 H new ATOM 0 HB THR A 43 -11.790 -9.292 8.282 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.457 -9.696 6.677 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.168 -9.162 8.895 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.188 -7.980 9.795 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.192 -7.445 8.426 1.00 0.00 H new ATOM 492 N ARG A 44 -9.479 -7.928 8.779 1.00 0.00 N ATOM 493 CA ARG A 44 -8.088 -8.344 8.833 1.00 0.00 C ATOM 494 C ARG A 44 -7.880 -9.617 8.019 1.00 0.00 C ATOM 495 O ARG A 44 -6.948 -9.712 7.219 1.00 0.00 O ATOM 496 CB ARG A 44 -7.663 -8.578 10.281 1.00 0.00 C ATOM 497 CG ARG A 44 -7.119 -7.335 10.967 1.00 0.00 C ATOM 498 CD ARG A 44 -6.560 -7.657 12.342 1.00 0.00 C ATOM 499 NE ARG A 44 -6.238 -6.453 13.104 1.00 0.00 N ATOM 500 CZ ARG A 44 -6.236 -6.397 14.433 1.00 0.00 C ATOM 501 NH1 ARG A 44 -6.461 -7.499 15.143 1.00 0.00 N ATOM 502 NH2 ARG A 44 -5.981 -5.249 15.046 1.00 0.00 N ATOM 0 H ARG A 44 -9.937 -7.874 9.689 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.474 -7.551 8.406 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.518 -8.949 10.846 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.902 -9.358 10.305 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.338 -6.891 10.351 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.912 -6.593 11.060 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.285 -8.252 12.897 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.663 -8.267 12.234 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.001 -5.606 12.587 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.635 -8.385 14.668 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.460 -7.458 16.162 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.787 -4.411 14.498 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.979 -5.204 16.065 1.00 0.00 H new ATOM 516 N ASP A 45 -8.768 -10.578 8.224 1.00 0.00 N ATOM 517 CA ASP A 45 -8.716 -11.860 7.524 1.00 0.00 C ATOM 518 C ASP A 45 -8.859 -11.672 6.023 1.00 0.00 C ATOM 519 O ASP A 45 -8.127 -12.274 5.239 1.00 0.00 O ATOM 520 CB ASP A 45 -9.820 -12.780 8.038 1.00 0.00 C ATOM 521 CG ASP A 45 -9.667 -14.206 7.557 1.00 0.00 C ATOM 522 OD1 ASP A 45 -8.882 -14.965 8.161 1.00 0.00 O ATOM 523 OD2 ASP A 45 -10.350 -14.587 6.584 1.00 0.00 O ATOM 0 H ASP A 45 -9.546 -10.495 8.879 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.744 -12.313 7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.819 -12.767 9.128 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.787 -12.395 7.715 1.00 0.00 H new ATOM 528 N ARG A 46 -9.803 -10.832 5.632 1.00 0.00 N ATOM 529 CA ARG A 46 -10.033 -10.547 4.221 1.00 0.00 C ATOM 530 C ARG A 46 -8.810 -9.861 3.628 1.00 0.00 C ATOM 531 O ARG A 46 -8.390 -10.174 2.518 1.00 0.00 O ATOM 532 CB ARG A 46 -11.271 -9.668 4.044 1.00 0.00 C ATOM 533 CG ARG A 46 -11.583 -9.316 2.597 1.00 0.00 C ATOM 534 CD ARG A 46 -11.921 -10.546 1.766 1.00 0.00 C ATOM 535 NE ARG A 46 -12.601 -10.187 0.519 1.00 0.00 N ATOM 536 CZ ARG A 46 -12.772 -11.013 -0.515 1.00 0.00 C ATOM 537 NH1 ARG A 46 -12.264 -12.237 -0.491 1.00 0.00 N ATOM 538 NH2 ARG A 46 -13.444 -10.601 -1.585 1.00 0.00 N ATOM 0 H ARG A 46 -10.424 -10.334 6.270 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.204 -11.487 3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.131 -10.180 4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.132 -8.746 4.609 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.420 -8.618 2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.727 -8.806 2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.007 -11.093 1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.556 -11.215 2.347 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.969 -9.240 0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.737 -12.555 0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.400 -12.861 -1.286 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.827 -9.656 -1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.577 -11.230 -2.377 1.00 0.00 H new ATOM 552 N ARG A 47 -8.241 -8.934 4.387 1.00 0.00 N ATOM 553 CA ARG A 47 -7.054 -8.212 3.957 1.00 0.00 C ATOM 554 C ARG A 47 -5.886 -9.175 3.806 1.00 0.00 C ATOM 555 O ARG A 47 -5.121 -9.084 2.850 1.00 0.00 O ATOM 556 CB ARG A 47 -6.706 -7.112 4.960 1.00 0.00 C ATOM 557 CG ARG A 47 -5.598 -6.188 4.488 1.00 0.00 C ATOM 558 CD ARG A 47 -5.336 -5.072 5.487 1.00 0.00 C ATOM 559 NE ARG A 47 -6.575 -4.460 5.970 1.00 0.00 N ATOM 560 CZ ARG A 47 -7.247 -3.501 5.327 1.00 0.00 C ATOM 561 NH1 ARG A 47 -6.793 -3.007 4.184 1.00 0.00 N ATOM 562 NH2 ARG A 47 -8.376 -3.030 5.832 1.00 0.00 N ATOM 0 H ARG A 47 -8.586 -8.664 5.308 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.257 -7.748 2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.599 -6.521 5.163 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.408 -7.572 5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.684 -6.763 4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.868 -5.758 3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.775 -5.468 6.333 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.713 -4.308 5.021 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.951 -4.789 6.859 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.922 -3.359 3.786 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.315 -2.275 3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.734 -3.399 6.713 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.888 -2.298 5.340 1.00 0.00 H new ATOM 576 N TYR A 48 -5.766 -10.105 4.749 1.00 0.00 N ATOM 577 CA TYR A 48 -4.703 -11.098 4.706 1.00 0.00 C ATOM 578 C TYR A 48 -4.894 -11.994 3.493 1.00 0.00 C ATOM 579 O TYR A 48 -3.931 -12.377 2.834 1.00 0.00 O ATOM 580 CB TYR A 48 -4.697 -11.942 5.984 1.00 0.00 C ATOM 581 CG TYR A 48 -3.490 -12.847 6.109 1.00 0.00 C ATOM 582 CD1 TYR A 48 -2.205 -12.346 5.958 1.00 0.00 C ATOM 583 CD2 TYR A 48 -3.637 -14.202 6.376 1.00 0.00 C ATOM 584 CE1 TYR A 48 -1.101 -13.165 6.072 1.00 0.00 C ATOM 585 CE2 TYR A 48 -2.538 -15.031 6.492 1.00 0.00 C ATOM 586 CZ TYR A 48 -1.272 -14.506 6.340 1.00 0.00 C ATOM 587 OH TYR A 48 -0.172 -15.325 6.456 1.00 0.00 O ATOM 0 H TYR A 48 -6.392 -10.190 5.550 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.745 -10.583 4.632 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.733 -11.278 6.848 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.601 -12.551 6.011 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.067 -11.296 5.747 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.628 -14.615 6.495 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.108 -12.758 5.952 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.669 -16.083 6.700 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.465 -16.241 6.647 1.00 0.00 H new ATOM 597 N GLU A 49 -6.147 -12.318 3.211 1.00 0.00 N ATOM 598 CA GLU A 49 -6.486 -13.156 2.070 1.00 0.00 C ATOM 599 C GLU A 49 -6.119 -12.453 0.781 1.00 0.00 C ATOM 600 O GLU A 49 -5.397 -13.000 -0.047 1.00 0.00 O ATOM 601 CB GLU A 49 -7.978 -13.478 2.070 1.00 0.00 C ATOM 602 CG GLU A 49 -8.381 -14.485 1.007 1.00 0.00 C ATOM 603 CD GLU A 49 -9.856 -14.820 1.048 1.00 0.00 C ATOM 604 OE1 GLU A 49 -10.690 -13.900 0.909 1.00 0.00 O ATOM 605 OE2 GLU A 49 -10.192 -16.009 1.216 1.00 0.00 O ATOM 0 H GLU A 49 -6.950 -12.011 3.760 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.923 -14.086 2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.258 -13.864 3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.540 -12.557 1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.130 -14.088 0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.801 -15.399 1.140 1.00 0.00 H new ATOM 612 N VAL A 50 -6.623 -11.240 0.629 1.00 0.00 N ATOM 613 CA VAL A 50 -6.349 -10.434 -0.551 1.00 0.00 C ATOM 614 C VAL A 50 -4.840 -10.285 -0.743 1.00 0.00 C ATOM 615 O VAL A 50 -4.323 -10.391 -1.857 1.00 0.00 O ATOM 616 CB VAL A 50 -7.013 -9.043 -0.435 1.00 0.00 C ATOM 617 CG1 VAL A 50 -6.536 -8.111 -1.536 1.00 0.00 C ATOM 618 CG2 VAL A 50 -8.528 -9.171 -0.467 1.00 0.00 C ATOM 0 H VAL A 50 -7.229 -10.788 1.314 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.771 -10.940 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.719 -8.611 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.021 -7.141 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.455 -7.987 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.789 -8.536 -2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.979 -8.182 -0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.834 -9.632 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.858 -9.791 0.366 1.00 0.00 H new ATOM 628 N ALA A 51 -4.142 -10.064 0.363 1.00 0.00 N ATOM 629 CA ALA A 51 -2.695 -9.926 0.344 1.00 0.00 C ATOM 630 C ALA A 51 -2.029 -11.240 -0.057 1.00 0.00 C ATOM 631 O ALA A 51 -1.088 -11.252 -0.856 1.00 0.00 O ATOM 632 CB ALA A 51 -2.196 -9.482 1.709 1.00 0.00 C ATOM 0 H ALA A 51 -4.559 -9.976 1.289 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.432 -9.170 -0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.111 -9.381 1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.644 -8.522 1.965 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.475 -10.224 2.457 1.00 0.00 H new ATOM 638 N ARG A 52 -2.537 -12.341 0.490 1.00 0.00 N ATOM 639 CA ARG A 52 -2.008 -13.665 0.213 1.00 0.00 C ATOM 640 C ARG A 52 -2.234 -14.030 -1.242 1.00 0.00 C ATOM 641 O ARG A 52 -1.375 -14.639 -1.881 1.00 0.00 O ATOM 642 CB ARG A 52 -2.695 -14.677 1.115 1.00 0.00 C ATOM 643 CG ARG A 52 -1.789 -15.800 1.585 1.00 0.00 C ATOM 644 CD ARG A 52 -2.269 -16.379 2.905 1.00 0.00 C ATOM 645 NE ARG A 52 -1.691 -17.692 3.174 1.00 0.00 N ATOM 646 CZ ARG A 52 -2.411 -18.788 3.404 1.00 0.00 C ATOM 647 NH1 ARG A 52 -3.735 -18.709 3.468 1.00 0.00 N ATOM 648 NH2 ARG A 52 -1.805 -19.954 3.598 1.00 0.00 N ATOM 0 H ARG A 52 -3.326 -12.336 1.136 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.935 -13.671 0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.096 -14.159 1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.543 -15.107 0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.758 -16.586 0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.771 -15.426 1.698 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.010 -15.697 3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.356 -16.458 2.891 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.674 -17.775 3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.199 -17.810 3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.288 -19.548 3.644 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.787 -20.010 3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.358 -20.793 3.774 1.00 0.00 H new ATOM 662 N VAL A 53 -3.408 -13.660 -1.742 1.00 0.00 N ATOM 663 CA VAL A 53 -3.780 -13.905 -3.136 1.00 0.00 C ATOM 664 C VAL A 53 -2.683 -13.420 -4.082 1.00 0.00 C ATOM 665 O VAL A 53 -2.366 -14.081 -5.074 1.00 0.00 O ATOM 666 CB VAL A 53 -5.121 -13.214 -3.490 1.00 0.00 C ATOM 667 CG1 VAL A 53 -5.330 -13.130 -4.997 1.00 0.00 C ATOM 668 CG2 VAL A 53 -6.283 -13.949 -2.842 1.00 0.00 C ATOM 0 H VAL A 53 -4.127 -13.184 -1.198 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.904 -14.981 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.079 -12.197 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.281 -12.639 -5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.519 -12.556 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.340 -14.135 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.218 -13.451 -3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.308 -14.978 -3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.157 -13.946 -1.759 1.00 0.00 H new ATOM 678 N LEU A 54 -2.087 -12.277 -3.761 1.00 0.00 N ATOM 679 CA LEU A 54 -1.027 -11.724 -4.575 1.00 0.00 C ATOM 680 C LEU A 54 0.329 -12.212 -4.072 1.00 0.00 C ATOM 681 O LEU A 54 0.860 -13.206 -4.565 1.00 0.00 O ATOM 682 CB LEU A 54 -1.090 -10.196 -4.556 1.00 0.00 C ATOM 683 CG LEU A 54 -2.379 -9.587 -5.108 1.00 0.00 C ATOM 684 CD1 LEU A 54 -2.336 -8.072 -5.012 1.00 0.00 C ATOM 685 CD2 LEU A 54 -2.605 -10.022 -6.547 1.00 0.00 C ATOM 0 H LEU A 54 -2.325 -11.720 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.157 -12.062 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.958 -9.856 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.249 -9.807 -5.130 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.213 -9.948 -4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.262 -7.656 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.224 -7.777 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.492 -7.695 -5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.527 -9.578 -6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.768 -9.692 -7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.682 -11.108 -6.591 1.00 0.00 H new ATOM 697 N ASN A 55 0.866 -11.520 -3.070 1.00 0.00 N ATOM 698 CA ASN A 55 2.158 -11.872 -2.480 1.00 0.00 C ATOM 699 C ASN A 55 2.525 -10.890 -1.374 1.00 0.00 C ATOM 700 O ASN A 55 3.684 -10.793 -0.971 1.00 0.00 O ATOM 701 CB ASN A 55 3.258 -11.859 -3.543 1.00 0.00 C ATOM 702 CG ASN A 55 4.458 -12.701 -3.154 1.00 0.00 C ATOM 703 OD1 ASN A 55 4.338 -13.910 -2.947 1.00 0.00 O ATOM 704 ND2 ASN A 55 5.621 -12.074 -3.060 1.00 0.00 N ATOM 0 H ASN A 55 0.423 -10.705 -2.646 1.00 0.00 H new ATOM 0 HA ASN A 55 2.072 -12.875 -2.062 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.851 -12.227 -4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.580 -10.832 -3.714 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.462 -12.594 -2.808 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.676 -11.071 -3.240 1.00 0.00 H new ATOM 711 N LEU A 56 1.533 -10.173 -0.866 1.00 0.00 N ATOM 712 CA LEU A 56 1.777 -9.176 0.171 1.00 0.00 C ATOM 713 C LEU A 56 1.284 -9.652 1.523 1.00 0.00 C ATOM 714 O LEU A 56 0.718 -10.738 1.647 1.00 0.00 O ATOM 715 CB LEU A 56 1.075 -7.852 -0.163 1.00 0.00 C ATOM 716 CG LEU A 56 1.446 -7.199 -1.504 1.00 0.00 C ATOM 717 CD1 LEU A 56 2.911 -7.413 -1.837 1.00 0.00 C ATOM 718 CD2 LEU A 56 0.559 -7.721 -2.623 1.00 0.00 C ATOM 0 H LEU A 56 0.558 -10.260 -1.151 1.00 0.00 H new ATOM 0 HA LEU A 56 2.855 -9.023 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.001 -8.025 -0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.291 -7.141 0.634 1.00 0.00 H new ATOM 0 HG LEU A 56 1.280 -6.126 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.140 -6.939 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.530 -6.973 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.117 -8.481 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.840 -7.245 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.683 -8.800 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.483 -7.493 -2.398 1.00 0.00 H new ATOM 730 N THR A 57 1.511 -8.834 2.533 1.00 0.00 N ATOM 731 CA THR A 57 1.055 -9.138 3.872 1.00 0.00 C ATOM 732 C THR A 57 -0.010 -8.124 4.283 1.00 0.00 C ATOM 733 O THR A 57 -0.305 -7.195 3.526 1.00 0.00 O ATOM 734 CB THR A 57 2.215 -9.122 4.878 1.00 0.00 C ATOM 735 OG1 THR A 57 3.462 -9.255 4.185 1.00 0.00 O ATOM 736 CG2 THR A 57 2.067 -10.256 5.884 1.00 0.00 C ATOM 0 H THR A 57 2.012 -7.949 2.449 1.00 0.00 H new ATOM 0 HA THR A 57 0.631 -10.142 3.873 1.00 0.00 H new ATOM 0 HB THR A 57 2.195 -8.173 5.414 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.198 -9.242 4.831 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.898 -10.228 6.588 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.128 -10.142 6.426 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.069 -11.211 5.359 1.00 0.00 H new ATOM 744 N GLU A 58 -0.557 -8.279 5.480 1.00 0.00 N ATOM 745 CA GLU A 58 -1.604 -7.391 5.975 1.00 0.00 C ATOM 746 C GLU A 58 -1.095 -5.962 6.074 1.00 0.00 C ATOM 747 O GLU A 58 -1.768 -5.016 5.664 1.00 0.00 O ATOM 748 CB GLU A 58 -2.078 -7.855 7.352 1.00 0.00 C ATOM 749 CG GLU A 58 -2.604 -9.277 7.378 1.00 0.00 C ATOM 750 CD GLU A 58 -2.916 -9.750 8.781 1.00 0.00 C ATOM 751 OE1 GLU A 58 -3.775 -9.129 9.447 1.00 0.00 O ATOM 752 OE2 GLU A 58 -2.307 -10.739 9.231 1.00 0.00 O ATOM 0 H GLU A 58 -0.292 -9.017 6.132 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.436 -7.422 5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.250 -7.772 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.862 -7.182 7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.505 -9.340 6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.867 -9.943 6.928 1.00 0.00 H new ATOM 759 N ARG A 59 0.109 -5.827 6.602 1.00 0.00 N ATOM 760 CA ARG A 59 0.735 -4.529 6.784 1.00 0.00 C ATOM 761 C ARG A 59 0.922 -3.794 5.469 1.00 0.00 C ATOM 762 O ARG A 59 0.701 -2.588 5.397 1.00 0.00 O ATOM 763 CB ARG A 59 2.086 -4.693 7.482 1.00 0.00 C ATOM 764 CG ARG A 59 2.773 -3.380 7.815 1.00 0.00 C ATOM 765 CD ARG A 59 4.161 -3.620 8.383 1.00 0.00 C ATOM 766 NE ARG A 59 4.649 -2.471 9.141 1.00 0.00 N ATOM 767 CZ ARG A 59 5.414 -2.569 10.229 1.00 0.00 C ATOM 768 NH1 ARG A 59 5.798 -3.764 10.673 1.00 0.00 N ATOM 769 NH2 ARG A 59 5.801 -1.470 10.864 1.00 0.00 N ATOM 0 H ARG A 59 0.679 -6.612 6.916 1.00 0.00 H new ATOM 0 HA ARG A 59 0.068 -3.930 7.404 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.942 -5.259 8.402 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.744 -5.284 6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.845 -2.765 6.918 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.173 -2.824 8.535 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.142 -4.498 9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.853 -3.838 7.569 1.00 0.00 H new ATOM 0 HE ARG A 59 4.389 -1.539 8.819 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.507 -4.609 10.181 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.383 -3.835 11.505 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.513 -0.554 10.520 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.386 -1.541 11.696 1.00 0.00 H new ATOM 783 N GLN A 60 1.288 -4.514 4.416 1.00 0.00 N ATOM 784 CA GLN A 60 1.517 -3.876 3.141 1.00 0.00 C ATOM 785 C GLN A 60 0.212 -3.341 2.571 1.00 0.00 C ATOM 786 O GLN A 60 0.168 -2.256 1.996 1.00 0.00 O ATOM 787 CB GLN A 60 2.164 -4.868 2.182 1.00 0.00 C ATOM 788 CG GLN A 60 1.767 -4.650 0.743 1.00 0.00 C ATOM 789 CD GLN A 60 2.942 -4.323 -0.150 1.00 0.00 C ATOM 790 OE1 GLN A 60 4.086 -4.927 0.130 1.00 0.00 O flip ATOM 791 NE2 GLN A 60 2.816 -3.549 -1.096 1.00 0.00 N flip ATOM 0 H GLN A 60 1.429 -5.524 4.425 1.00 0.00 H new ATOM 0 HA GLN A 60 2.192 -3.031 3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.248 -4.793 2.268 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.890 -5.881 2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.271 -5.546 0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.041 -3.839 0.691 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.915 -3.105 -1.275 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.612 -3.350 -1.702 1.00 0.00 H new ATOM 800 N VAL A 61 -0.854 -4.092 2.778 1.00 0.00 N ATOM 801 CA VAL A 61 -2.160 -3.717 2.264 1.00 0.00 C ATOM 802 C VAL A 61 -2.772 -2.594 3.096 1.00 0.00 C ATOM 803 O VAL A 61 -3.425 -1.697 2.566 1.00 0.00 O ATOM 804 CB VAL A 61 -3.113 -4.930 2.228 1.00 0.00 C ATOM 805 CG1 VAL A 61 -4.460 -4.547 1.644 1.00 0.00 C ATOM 806 CG2 VAL A 61 -2.493 -6.061 1.424 1.00 0.00 C ATOM 0 H VAL A 61 -0.842 -4.968 3.300 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.021 -3.358 1.244 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.271 -5.268 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.112 -5.420 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.912 -3.766 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.324 -4.180 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.175 -6.911 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.307 -5.723 0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.552 -6.361 1.884 1.00 0.00 H new ATOM 816 N LYS A 62 -2.544 -2.644 4.402 1.00 0.00 N ATOM 817 CA LYS A 62 -3.066 -1.634 5.311 1.00 0.00 C ATOM 818 C LYS A 62 -2.461 -0.278 5.009 1.00 0.00 C ATOM 819 O LYS A 62 -3.166 0.719 4.864 1.00 0.00 O ATOM 820 CB LYS A 62 -2.708 -2.006 6.745 1.00 0.00 C ATOM 821 CG LYS A 62 -3.366 -1.127 7.798 1.00 0.00 C ATOM 822 CD LYS A 62 -4.883 -1.170 7.717 1.00 0.00 C ATOM 823 CE LYS A 62 -5.503 -0.101 8.599 1.00 0.00 C ATOM 824 NZ LYS A 62 -6.975 -0.252 8.701 1.00 0.00 N ATOM 0 H LYS A 62 -1.999 -3.377 4.856 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.147 -1.587 5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.994 -3.043 6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.626 -1.949 6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.048 -1.450 8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.026 -0.099 7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.200 -1.024 6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.240 -2.153 8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.063 -0.152 9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.266 0.884 8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.359 0.497 9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.398 -0.178 7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.201 -1.181 9.109 1.00 0.00 H new ATOM 838 N ILE A 63 -1.151 -0.271 4.881 1.00 0.00 N ATOM 839 CA ILE A 63 -0.418 0.956 4.609 1.00 0.00 C ATOM 840 C ILE A 63 -0.645 1.449 3.181 1.00 0.00 C ATOM 841 O ILE A 63 -0.741 2.654 2.948 1.00 0.00 O ATOM 842 CB ILE A 63 1.091 0.783 4.864 1.00 0.00 C ATOM 843 CG1 ILE A 63 1.345 0.281 6.289 1.00 0.00 C ATOM 844 CG2 ILE A 63 1.826 2.092 4.632 1.00 0.00 C ATOM 845 CD1 ILE A 63 0.860 1.223 7.370 1.00 0.00 C ATOM 0 H ILE A 63 -0.566 -1.103 4.961 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.806 1.706 5.299 1.00 0.00 H new ATOM 0 HB ILE A 63 1.470 0.041 4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.855 -0.684 6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.414 0.115 6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.891 1.949 4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.677 2.415 3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.438 2.852 5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.077 0.796 8.349 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.369 2.182 7.272 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.215 1.371 7.268 1.00 0.00 H new ATOM 857 N TRP A 64 -0.745 0.528 2.229 1.00 0.00 N ATOM 858 CA TRP A 64 -0.964 0.905 0.838 1.00 0.00 C ATOM 859 C TRP A 64 -2.285 1.659 0.690 1.00 0.00 C ATOM 860 O TRP A 64 -2.355 2.677 0.000 1.00 0.00 O ATOM 861 CB TRP A 64 -0.940 -0.325 -0.078 1.00 0.00 C ATOM 862 CG TRP A 64 -0.749 0.018 -1.526 1.00 0.00 C ATOM 863 CD1 TRP A 64 -0.408 1.235 -2.041 1.00 0.00 C ATOM 864 CD2 TRP A 64 -0.888 -0.863 -2.647 1.00 0.00 C ATOM 865 NE1 TRP A 64 -0.340 1.167 -3.408 1.00 0.00 N ATOM 866 CE2 TRP A 64 -0.627 -0.110 -3.805 1.00 0.00 C ATOM 867 CE3 TRP A 64 -1.205 -2.216 -2.787 1.00 0.00 C ATOM 868 CZ2 TRP A 64 -0.682 -0.661 -5.081 1.00 0.00 C ATOM 869 CZ3 TRP A 64 -1.257 -2.758 -4.057 1.00 0.00 C ATOM 870 CH2 TRP A 64 -0.997 -1.983 -5.185 1.00 0.00 C ATOM 0 H TRP A 64 -0.679 -0.477 2.393 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.151 1.565 0.535 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.137 -0.991 0.240 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.874 -0.874 0.038 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.219 2.123 -1.456 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.112 1.943 -4.029 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.406 -2.827 -1.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.482 -0.063 -5.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.504 -3.802 -4.177 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.046 -2.439 -6.163 1.00 0.00 H new ATOM 881 N PHE A 65 -3.333 1.175 1.350 1.00 0.00 N ATOM 882 CA PHE A 65 -4.618 1.825 1.292 1.00 0.00 C ATOM 883 C PHE A 65 -4.609 3.098 2.117 1.00 0.00 C ATOM 884 O PHE A 65 -5.317 4.062 1.818 1.00 0.00 O ATOM 885 CB PHE A 65 -5.678 0.861 1.779 1.00 0.00 C ATOM 886 CG PHE A 65 -5.938 -0.254 0.814 1.00 0.00 C ATOM 887 CD1 PHE A 65 -5.712 -0.087 -0.543 1.00 0.00 C ATOM 888 CD2 PHE A 65 -6.410 -1.466 1.265 1.00 0.00 C ATOM 889 CE1 PHE A 65 -5.957 -1.116 -1.430 1.00 0.00 C ATOM 890 CE2 PHE A 65 -6.659 -2.500 0.384 1.00 0.00 C ATOM 891 CZ PHE A 65 -6.432 -2.324 -0.966 1.00 0.00 C ATOM 0 H PHE A 65 -3.308 0.335 1.928 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.842 2.108 0.263 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.369 0.442 2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.605 1.407 1.955 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.340 0.858 -0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.588 -1.610 2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.777 -0.975 -2.485 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.031 -3.445 0.751 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.626 -3.131 -1.657 1.00 0.00 H new ATOM 901 N GLN A 66 -3.788 3.089 3.148 1.00 0.00 N ATOM 902 CA GLN A 66 -3.634 4.240 4.022 1.00 0.00 C ATOM 903 C GLN A 66 -2.973 5.366 3.238 1.00 0.00 C ATOM 904 O GLN A 66 -3.262 6.545 3.440 1.00 0.00 O ATOM 905 CB GLN A 66 -2.784 3.870 5.238 1.00 0.00 C ATOM 906 CG GLN A 66 -3.377 4.310 6.568 1.00 0.00 C ATOM 907 CD GLN A 66 -3.495 5.815 6.693 1.00 0.00 C ATOM 908 OE1 GLN A 66 -2.571 6.490 7.146 1.00 0.00 O ATOM 909 NE2 GLN A 66 -4.638 6.358 6.304 1.00 0.00 N ATOM 0 H GLN A 66 -3.210 2.289 3.405 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.612 4.566 4.377 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.644 2.789 5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.796 4.317 5.127 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.364 3.862 6.686 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.756 3.931 7.380 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.383 5.768 5.933 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.774 7.366 6.375 1.00 0.00 H new ATOM 918 N ASN A 67 -2.090 4.974 2.328 1.00 0.00 N ATOM 919 CA ASN A 67 -1.380 5.911 1.470 1.00 0.00 C ATOM 920 C ASN A 67 -2.372 6.702 0.627 1.00 0.00 C ATOM 921 O ASN A 67 -2.211 7.901 0.424 1.00 0.00 O ATOM 922 CB ASN A 67 -0.408 5.162 0.561 1.00 0.00 C ATOM 923 CG ASN A 67 0.776 6.014 0.146 1.00 0.00 C ATOM 924 OD1 ASN A 67 0.696 6.787 -0.808 1.00 0.00 O ATOM 925 ND2 ASN A 67 1.886 5.869 0.853 1.00 0.00 N ATOM 0 H ASN A 67 -1.847 3.997 2.165 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.816 6.601 2.097 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.047 4.272 1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.937 4.823 -0.330 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.717 6.410 0.614 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.910 5.217 1.637 1.00 0.00 H new ATOM 932 N ARG A 68 -3.408 6.021 0.155 1.00 0.00 N ATOM 933 CA ARG A 68 -4.444 6.657 -0.652 1.00 0.00 C ATOM 934 C ARG A 68 -5.104 7.788 0.134 1.00 0.00 C ATOM 935 O ARG A 68 -5.358 8.867 -0.396 1.00 0.00 O ATOM 936 CB ARG A 68 -5.496 5.623 -1.069 1.00 0.00 C ATOM 937 CG ARG A 68 -6.667 6.196 -1.857 1.00 0.00 C ATOM 938 CD ARG A 68 -6.250 6.664 -3.242 1.00 0.00 C ATOM 939 NE ARG A 68 -5.913 8.088 -3.266 1.00 0.00 N ATOM 940 CZ ARG A 68 -4.907 8.609 -3.968 1.00 0.00 C ATOM 941 NH1 ARG A 68 -4.085 7.820 -4.650 1.00 0.00 N ATOM 942 NH2 ARG A 68 -4.713 9.921 -3.964 1.00 0.00 N ATOM 0 H ARG A 68 -3.554 5.025 0.317 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.984 7.074 -1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.012 4.853 -1.670 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.881 5.134 -0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.446 5.439 -1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.099 7.032 -1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.390 6.083 -3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.058 6.472 -3.947 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.485 8.723 -2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.222 6.809 -4.638 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.317 8.225 -5.185 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.332 10.526 -3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.944 10.325 -4.500 1.00 0.00 H new ATOM 956 N ARG A 69 -5.361 7.534 1.409 1.00 0.00 N ATOM 957 CA ARG A 69 -5.983 8.524 2.274 1.00 0.00 C ATOM 958 C ARG A 69 -4.988 9.628 2.629 1.00 0.00 C ATOM 959 O ARG A 69 -5.349 10.808 2.683 1.00 0.00 O ATOM 960 CB ARG A 69 -6.510 7.864 3.549 1.00 0.00 C ATOM 961 CG ARG A 69 -7.268 8.817 4.459 1.00 0.00 C ATOM 962 CD ARG A 69 -8.771 8.723 4.247 1.00 0.00 C ATOM 963 NE ARG A 69 -9.189 9.186 2.920 1.00 0.00 N ATOM 964 CZ ARG A 69 -10.394 8.943 2.400 1.00 0.00 C ATOM 965 NH1 ARG A 69 -11.265 8.195 3.063 1.00 0.00 N ATOM 966 NH2 ARG A 69 -10.719 9.427 1.206 1.00 0.00 N ATOM 0 H ARG A 69 -5.147 6.648 1.868 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.821 8.969 1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.166 7.037 3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.672 7.438 4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.033 8.591 5.499 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.937 9.839 4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.088 7.689 4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.278 9.314 5.009 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.523 9.723 2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.015 7.805 3.971 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.186 8.010 2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.046 9.987 0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.641 9.238 0.813 1.00 0.00 H new