USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 THR OG1 : rot -30:sc= 0.767 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.292 K(o=-0.29,f=-1.4!) USER MOD Single : A 24 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.17) USER MOD Single : A 28 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.6) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 32 THR OG1 : rot 71:sc= 0.718 USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= 1.09 (180deg=0.58) USER MOD Single : A 37 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3.8!) USER MOD Single : A 40 GLN : amide:sc= -0.0019 X(o=-0.0019,f=-0.0023) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00471 USER MOD Single : A 53 TYR OH : rot 15:sc= 0.838 USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= 0.728 (180deg=0.282) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.203 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0528 USER MOD Single : A 60 SER OG : rot -60:sc= 0.912 USER MOD Single : A 66 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.41) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 157:sc= -0.809 USER MOD Single : A 71 ASN : amide:sc=-0.00214 X(o=-0.0021,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 65:sc= 0.109 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -56:sc= -0.667! USER MOD Single : A 90 LYS NZ :NH3+ 141:sc= -0.768 (180deg=-1.73) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0267 USER MOD Single : A 93 THR OG1 : rot 150:sc= -0.746 USER MOD Single : A 99 THR OG1 : rot -170:sc= 0 USER MOD Single : A 100 SER OG : rot 79:sc= -1.16! USER MOD Single : A 101 SER OG : rot 100:sc= -0.121 USER MOD Single : A 103 GLN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -6.077 -24.658 -0.676 1.00 0.00 N ATOM 199 CA THR A 16 -5.148 -23.798 -1.388 1.00 0.00 C ATOM 200 C THR A 16 -5.632 -22.347 -1.356 1.00 0.00 C ATOM 201 O THR A 16 -6.819 -22.089 -1.157 1.00 0.00 O ATOM 202 CB THR A 16 -4.981 -24.352 -2.804 1.00 0.00 C ATOM 203 OG1 THR A 16 -6.297 -24.751 -3.178 1.00 0.00 O ATOM 204 CG2 THR A 16 -4.176 -25.652 -2.834 1.00 0.00 C ATOM 0 HA THR A 16 -4.169 -23.791 -0.909 1.00 0.00 H new ATOM 0 HB THR A 16 -4.489 -23.606 -3.429 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.794 -25.027 -2.380 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.088 -26.002 -3.863 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.182 -25.474 -2.425 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.684 -26.409 -2.236 1.00 0.00 H new ATOM 212 N PRO A 17 -4.665 -21.414 -1.560 1.00 0.00 N ATOM 213 CA PRO A 17 -4.981 -19.995 -1.556 1.00 0.00 C ATOM 214 C PRO A 17 -5.694 -19.589 -2.848 1.00 0.00 C ATOM 215 O PRO A 17 -5.481 -20.197 -3.896 1.00 0.00 O ATOM 216 CB PRO A 17 -3.645 -19.295 -1.370 1.00 0.00 C ATOM 217 CG PRO A 17 -2.583 -20.318 -1.741 1.00 0.00 C ATOM 218 CD PRO A 17 -3.250 -21.682 -1.799 1.00 0.00 C ATOM 0 HA PRO A 17 -5.674 -19.720 -0.760 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.575 -18.412 -2.005 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.520 -18.958 -0.341 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.135 -20.071 -2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.779 -20.317 -1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.095 -22.157 -2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.842 -22.355 -1.045 1.00 0.00 H new ATOM 226 N PRO A 18 -6.547 -18.537 -2.727 1.00 0.00 N ATOM 227 CA PRO A 18 -7.292 -18.042 -3.872 1.00 0.00 C ATOM 228 C PRO A 18 -6.387 -17.245 -4.812 1.00 0.00 C ATOM 229 O PRO A 18 -5.512 -16.507 -4.361 1.00 0.00 O ATOM 230 CB PRO A 18 -8.416 -17.208 -3.279 1.00 0.00 C ATOM 231 CG PRO A 18 -7.989 -16.884 -1.857 1.00 0.00 C ATOM 232 CD PRO A 18 -6.823 -17.793 -1.501 1.00 0.00 C ATOM 0 HA PRO A 18 -7.694 -18.844 -4.492 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.573 -16.297 -3.857 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.357 -17.758 -3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.696 -15.837 -1.776 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.817 -17.037 -1.165 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.954 -17.217 -1.183 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.079 -18.463 -0.680 1.00 0.00 H new ATOM 240 N SER A 19 -6.628 -17.420 -6.103 1.00 0.00 N ATOM 241 CA SER A 19 -5.846 -16.725 -7.112 1.00 0.00 C ATOM 242 C SER A 19 -6.493 -15.379 -7.441 1.00 0.00 C ATOM 243 O SER A 19 -6.453 -14.930 -8.586 1.00 0.00 O ATOM 244 CB SER A 19 -5.705 -17.571 -8.379 1.00 0.00 C ATOM 245 OG SER A 19 -4.403 -17.467 -8.948 1.00 0.00 O ATOM 0 H SER A 19 -7.354 -18.033 -6.474 1.00 0.00 H new ATOM 0 HA SER A 19 -4.847 -16.552 -6.711 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.915 -18.614 -8.144 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.447 -17.253 -9.111 1.00 0.00 H new ATOM 0 HG SER A 19 -4.353 -18.022 -9.754 1.00 0.00 H new ATOM 251 N GLN A 20 -7.075 -14.772 -6.417 1.00 0.00 N ATOM 252 CA GLN A 20 -7.730 -13.486 -6.584 1.00 0.00 C ATOM 253 C GLN A 20 -7.003 -12.410 -5.774 1.00 0.00 C ATOM 254 O GLN A 20 -7.061 -12.408 -4.545 1.00 0.00 O ATOM 255 CB GLN A 20 -9.206 -13.567 -6.187 1.00 0.00 C ATOM 256 CG GLN A 20 -9.695 -12.232 -5.621 1.00 0.00 C ATOM 257 CD GLN A 20 -11.219 -12.124 -5.711 1.00 0.00 C ATOM 258 OE1 GLN A 20 -11.853 -12.653 -6.610 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.770 -11.413 -4.732 1.00 0.00 N ATOM 0 H GLN A 20 -7.107 -15.147 -5.469 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.685 -13.212 -7.638 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.806 -13.839 -7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.344 -14.353 -5.445 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.381 -12.137 -4.582 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.235 -11.410 -6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.181 -10.997 -4.010 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.781 -11.284 -4.703 1.00 0.00 H new ATOM 268 N PRO A 21 -6.317 -11.499 -6.515 1.00 0.00 N ATOM 269 CA PRO A 21 -5.579 -10.421 -5.878 1.00 0.00 C ATOM 270 C PRO A 21 -6.528 -9.338 -5.361 1.00 0.00 C ATOM 271 O PRO A 21 -7.655 -9.215 -5.838 1.00 0.00 O ATOM 272 CB PRO A 21 -4.625 -9.913 -6.947 1.00 0.00 C ATOM 273 CG PRO A 21 -5.182 -10.408 -8.272 1.00 0.00 C ATOM 274 CD PRO A 21 -6.226 -11.471 -7.971 1.00 0.00 C ATOM 0 HA PRO A 21 -5.030 -10.751 -4.996 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.564 -8.825 -6.931 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.616 -10.291 -6.782 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.626 -9.584 -8.831 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.385 -10.820 -8.891 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.186 -11.222 -8.423 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.929 -12.442 -8.368 1.00 0.00 H new ATOM 282 N PRO A 22 -6.024 -8.560 -4.366 1.00 0.00 N ATOM 283 CA PRO A 22 -6.814 -7.491 -3.778 1.00 0.00 C ATOM 284 C PRO A 22 -6.899 -6.290 -4.722 1.00 0.00 C ATOM 285 O PRO A 22 -5.878 -5.799 -5.201 1.00 0.00 O ATOM 286 CB PRO A 22 -6.122 -7.167 -2.464 1.00 0.00 C ATOM 287 CG PRO A 22 -4.718 -7.737 -2.581 1.00 0.00 C ATOM 288 CD PRO A 22 -4.694 -8.677 -3.775 1.00 0.00 C ATOM 0 HA PRO A 22 -7.851 -7.780 -3.605 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.094 -6.091 -2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.655 -7.610 -1.622 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.991 -6.936 -2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.445 -8.270 -1.670 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.918 -8.394 -4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.486 -9.702 -3.468 1.00 0.00 H new ATOM 296 N GLY A 23 -8.126 -5.850 -4.960 1.00 0.00 N ATOM 297 CA GLY A 23 -8.357 -4.716 -5.837 1.00 0.00 C ATOM 298 C GLY A 23 -8.520 -3.425 -5.033 1.00 0.00 C ATOM 299 O GLY A 23 -8.445 -3.440 -3.805 1.00 0.00 O ATOM 0 H GLY A 23 -8.971 -6.259 -4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.523 -4.613 -6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.251 -4.891 -6.436 1.00 0.00 H new ATOM 303 N ASN A 24 -8.740 -2.337 -5.757 1.00 0.00 N ATOM 304 CA ASN A 24 -8.915 -1.040 -5.126 1.00 0.00 C ATOM 305 C ASN A 24 -7.670 -0.707 -4.302 1.00 0.00 C ATOM 306 O ASN A 24 -7.739 0.074 -3.354 1.00 0.00 O ATOM 307 CB ASN A 24 -10.119 -1.045 -4.182 1.00 0.00 C ATOM 308 CG ASN A 24 -10.851 0.298 -4.221 1.00 0.00 C ATOM 309 OD1 ASN A 24 -11.093 0.933 -3.208 1.00 0.00 O ATOM 310 ND2 ASN A 24 -11.190 0.694 -5.445 1.00 0.00 N ATOM 0 H ASN A 24 -8.801 -2.327 -6.775 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.075 -0.302 -5.911 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.804 -1.845 -4.464 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.787 -1.253 -3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.683 1.577 -5.577 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.957 0.114 -6.251 1.00 0.00 H new ATOM 317 N VAL A 25 -6.560 -1.316 -4.694 1.00 0.00 N ATOM 318 CA VAL A 25 -5.301 -1.094 -4.003 1.00 0.00 C ATOM 319 C VAL A 25 -4.862 0.358 -4.207 1.00 0.00 C ATOM 320 O VAL A 25 -4.190 0.675 -5.188 1.00 0.00 O ATOM 321 CB VAL A 25 -4.257 -2.107 -4.478 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.990 -2.029 -3.625 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.831 -3.525 -4.480 1.00 0.00 C ATOM 0 H VAL A 25 -6.507 -1.963 -5.481 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.421 -1.250 -2.931 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.986 -1.854 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.264 -2.759 -3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.564 -1.028 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.237 -2.244 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.069 -4.226 -4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.143 -3.792 -3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.690 -3.569 -5.149 1.00 0.00 H new ATOM 333 N VAL A 26 -5.258 1.201 -3.265 1.00 0.00 N ATOM 334 CA VAL A 26 -4.913 2.611 -3.329 1.00 0.00 C ATOM 335 C VAL A 26 -3.903 2.935 -2.227 1.00 0.00 C ATOM 336 O VAL A 26 -3.849 2.249 -1.207 1.00 0.00 O ATOM 337 CB VAL A 26 -6.181 3.463 -3.247 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.175 3.075 -4.344 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.824 3.359 -1.863 1.00 0.00 C ATOM 0 H VAL A 26 -5.815 0.935 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.440 2.846 -4.282 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.896 4.503 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.067 3.696 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.716 3.226 -5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.451 2.027 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.723 3.974 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.088 2.321 -1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.120 3.708 -1.108 1.00 0.00 H new ATOM 349 N TRP A 27 -3.126 3.981 -2.469 1.00 0.00 N ATOM 350 CA TRP A 27 -2.121 4.404 -1.510 1.00 0.00 C ATOM 351 C TRP A 27 -2.359 5.883 -1.197 1.00 0.00 C ATOM 352 O TRP A 27 -3.266 6.500 -1.752 1.00 0.00 O ATOM 353 CB TRP A 27 -0.711 4.124 -2.034 1.00 0.00 C ATOM 354 CG TRP A 27 -0.420 4.744 -3.402 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.646 4.216 -4.613 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.164 6.040 -3.652 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.253 5.073 -5.620 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.255 6.218 -5.017 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.599 7.030 -2.753 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.779 7.374 -5.606 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.121 8.180 -3.358 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.220 8.374 -4.731 1.00 0.00 C ATOM 0 H TRP A 27 -3.173 4.548 -3.316 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.207 3.834 -0.585 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.015 4.502 -1.314 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.566 3.046 -2.097 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.081 3.242 -4.780 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.322 4.899 -6.623 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.536 6.913 -1.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.840 7.489 -6.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.471 8.972 -2.713 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.635 9.292 -5.121 1.00 0.00 H new ATOM 373 N ASN A 28 -1.527 6.408 -0.310 1.00 0.00 N ATOM 374 CA ASN A 28 -1.636 7.803 0.084 1.00 0.00 C ATOM 375 C ASN A 28 -0.412 8.190 0.916 1.00 0.00 C ATOM 376 O ASN A 28 0.356 7.326 1.337 1.00 0.00 O ATOM 377 CB ASN A 28 -2.883 8.039 0.938 1.00 0.00 C ATOM 378 CG ASN A 28 -4.075 8.442 0.068 1.00 0.00 C ATOM 379 OD1 ASN A 28 -5.016 7.690 -0.127 1.00 0.00 O ATOM 380 ND2 ASN A 28 -3.984 9.666 -0.442 1.00 0.00 N ATOM 0 H ASN A 28 -0.775 5.893 0.147 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.701 8.405 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.124 7.133 1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.683 8.820 1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.730 10.028 -1.036 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.168 10.244 -0.239 1.00 0.00 H new ATOM 387 N ALA A 29 -0.268 9.490 1.130 1.00 0.00 N ATOM 388 CA ALA A 29 0.849 10.003 1.904 1.00 0.00 C ATOM 389 C ALA A 29 0.349 11.096 2.851 1.00 0.00 C ATOM 390 O ALA A 29 -0.140 12.132 2.404 1.00 0.00 O ATOM 391 CB ALA A 29 1.940 10.506 0.957 1.00 0.00 C ATOM 0 H ALA A 29 -0.907 10.204 0.780 1.00 0.00 H new ATOM 0 HA ALA A 29 1.287 9.213 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.778 10.891 1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.282 9.685 0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.538 11.301 0.329 1.00 0.00 H new ATOM 397 N THR A 30 0.489 10.827 4.141 1.00 0.00 N ATOM 398 CA THR A 30 0.057 11.775 5.154 1.00 0.00 C ATOM 399 C THR A 30 1.172 12.007 6.176 1.00 0.00 C ATOM 400 O THR A 30 2.122 11.230 6.250 1.00 0.00 O ATOM 401 CB THR A 30 -1.237 11.246 5.775 1.00 0.00 C ATOM 402 OG1 THR A 30 -1.544 12.193 6.795 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.029 9.935 6.535 1.00 0.00 C ATOM 0 H THR A 30 0.895 9.966 4.508 1.00 0.00 H new ATOM 0 HA THR A 30 -0.151 12.753 4.719 1.00 0.00 H new ATOM 0 HB THR A 30 -1.981 11.097 4.992 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.371 11.928 7.249 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.978 9.604 6.956 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.650 9.175 5.852 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.310 10.091 7.340 1.00 0.00 H new ATOM 411 N ASP A 31 1.017 13.080 6.938 1.00 0.00 N ATOM 412 CA ASP A 31 1.999 13.424 7.953 1.00 0.00 C ATOM 413 C ASP A 31 3.405 13.205 7.391 1.00 0.00 C ATOM 414 O ASP A 31 3.964 14.091 6.746 1.00 0.00 O ATOM 415 CB ASP A 31 1.843 12.541 9.192 1.00 0.00 C ATOM 416 CG ASP A 31 0.874 13.076 10.249 1.00 0.00 C ATOM 417 OD1 ASP A 31 1.056 14.248 10.644 1.00 0.00 O ATOM 418 OD2 ASP A 31 -0.026 12.301 10.639 1.00 0.00 O ATOM 0 H ASP A 31 0.227 13.722 6.873 1.00 0.00 H new ATOM 0 HA ASP A 31 1.845 14.467 8.231 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.504 11.554 8.876 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.822 12.410 9.652 1.00 0.00 H new ATOM 423 N THR A 32 3.936 12.021 7.656 1.00 0.00 N ATOM 424 CA THR A 32 5.266 11.675 7.185 1.00 0.00 C ATOM 425 C THR A 32 5.385 10.162 6.986 1.00 0.00 C ATOM 426 O THR A 32 6.387 9.559 7.367 1.00 0.00 O ATOM 427 CB THR A 32 6.282 12.238 8.181 1.00 0.00 C ATOM 428 OG1 THR A 32 6.231 11.332 9.279 1.00 0.00 O ATOM 429 CG2 THR A 32 5.837 13.574 8.779 1.00 0.00 C ATOM 0 H THR A 32 3.469 11.289 8.191 1.00 0.00 H new ATOM 0 HA THR A 32 5.467 12.117 6.209 1.00 0.00 H new ATOM 0 HB THR A 32 7.244 12.365 7.685 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.639 10.480 9.019 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.593 13.929 9.479 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.709 14.305 7.981 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.891 13.441 9.304 1.00 0.00 H new ATOM 437 N LYS A 33 4.348 9.593 6.390 1.00 0.00 N ATOM 438 CA LYS A 33 4.323 8.163 6.136 1.00 0.00 C ATOM 439 C LYS A 33 3.455 7.882 4.908 1.00 0.00 C ATOM 440 O LYS A 33 2.934 8.808 4.287 1.00 0.00 O ATOM 441 CB LYS A 33 3.880 7.404 7.388 1.00 0.00 C ATOM 442 CG LYS A 33 2.360 7.233 7.417 1.00 0.00 C ATOM 443 CD LYS A 33 1.932 6.326 8.573 1.00 0.00 C ATOM 444 CE LYS A 33 1.751 7.129 9.862 1.00 0.00 C ATOM 445 NZ LYS A 33 0.369 6.988 10.371 1.00 0.00 N ATOM 0 H LYS A 33 3.519 10.097 6.076 1.00 0.00 H new ATOM 0 HA LYS A 33 5.325 7.800 5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.360 6.426 7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.206 7.942 8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.883 8.208 7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.020 6.809 6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.999 5.824 8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.681 5.549 8.727 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.459 6.783 10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.971 8.180 9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.358 7.154 11.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.246 7.682 9.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.022 6.028 10.172 1.00 0.00 H new ATOM 459 N VAL A 34 3.325 6.601 4.594 1.00 0.00 N ATOM 460 CA VAL A 34 2.529 6.187 3.451 1.00 0.00 C ATOM 461 C VAL A 34 1.364 5.320 3.934 1.00 0.00 C ATOM 462 O VAL A 34 1.554 4.416 4.746 1.00 0.00 O ATOM 463 CB VAL A 34 3.416 5.480 2.425 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.571 4.687 1.425 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.325 6.478 1.705 1.00 0.00 C ATOM 0 H VAL A 34 3.758 5.836 5.112 1.00 0.00 H new ATOM 0 HA VAL A 34 2.102 7.054 2.948 1.00 0.00 H new ATOM 0 HB VAL A 34 4.052 4.775 2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.225 4.194 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.986 3.937 1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.899 5.365 0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.945 5.949 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.715 7.218 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.964 6.979 2.432 1.00 0.00 H new ATOM 475 N LEU A 35 0.185 5.627 3.413 1.00 0.00 N ATOM 476 CA LEU A 35 -1.010 4.887 3.781 1.00 0.00 C ATOM 477 C LEU A 35 -1.455 4.024 2.598 1.00 0.00 C ATOM 478 O LEU A 35 -1.517 4.502 1.466 1.00 0.00 O ATOM 479 CB LEU A 35 -2.094 5.839 4.290 1.00 0.00 C ATOM 480 CG LEU A 35 -1.606 7.034 5.111 1.00 0.00 C ATOM 481 CD1 LEU A 35 -0.610 6.591 6.185 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.026 8.122 4.205 1.00 0.00 C ATOM 0 H LEU A 35 0.032 6.378 2.740 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.799 4.210 4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.650 6.216 3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.795 5.268 4.898 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.463 7.468 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.279 7.459 6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.091 5.879 6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.250 6.118 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.687 8.960 4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.184 7.717 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.794 8.465 3.511 1.00 0.00 H new ATOM 494 N LEU A 36 -1.752 2.769 2.901 1.00 0.00 N ATOM 495 CA LEU A 36 -2.189 1.836 1.877 1.00 0.00 C ATOM 496 C LEU A 36 -3.615 1.376 2.187 1.00 0.00 C ATOM 497 O LEU A 36 -4.009 1.305 3.350 1.00 0.00 O ATOM 498 CB LEU A 36 -1.189 0.686 1.737 1.00 0.00 C ATOM 499 CG LEU A 36 0.273 1.090 1.530 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.134 -0.126 1.187 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.392 2.193 0.476 1.00 0.00 C ATOM 0 H LEU A 36 -1.699 2.377 3.841 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.216 2.325 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.251 0.066 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.496 0.064 0.896 1.00 0.00 H new ATOM 0 HG LEU A 36 0.651 1.498 2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.168 0.189 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.083 -0.849 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.765 -0.586 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.440 2.462 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.009 1.835 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.170 3.069 0.801 1.00 0.00 H new ATOM 513 N ASN A 37 -4.349 1.074 1.126 1.00 0.00 N ATOM 514 CA ASN A 37 -5.723 0.623 1.271 1.00 0.00 C ATOM 515 C ASN A 37 -6.121 -0.188 0.036 1.00 0.00 C ATOM 516 O ASN A 37 -6.052 0.310 -1.087 1.00 0.00 O ATOM 517 CB ASN A 37 -6.683 1.809 1.387 1.00 0.00 C ATOM 518 CG ASN A 37 -5.976 3.030 1.979 1.00 0.00 C ATOM 519 OD1 ASN A 37 -5.064 3.594 1.397 1.00 0.00 O ATOM 520 ND2 ASN A 37 -6.447 3.406 3.165 1.00 0.00 N ATOM 0 H ASN A 37 -4.018 1.133 0.163 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.786 0.018 2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.082 2.057 0.403 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.531 1.535 2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.042 4.211 3.643 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.213 2.889 3.597 1.00 0.00 H new ATOM 527 N TRP A 38 -6.529 -1.423 0.285 1.00 0.00 N ATOM 528 CA TRP A 38 -6.939 -2.308 -0.792 1.00 0.00 C ATOM 529 C TRP A 38 -8.165 -3.092 -0.320 1.00 0.00 C ATOM 530 O TRP A 38 -8.351 -3.297 0.878 1.00 0.00 O ATOM 531 CB TRP A 38 -5.784 -3.211 -1.229 1.00 0.00 C ATOM 532 CG TRP A 38 -5.224 -4.091 -0.110 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.629 -5.314 0.259 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.132 -3.764 0.776 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.882 -5.797 1.314 1.00 0.00 N ATOM 536 CE2 TRP A 38 -3.943 -4.824 1.639 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.332 -2.610 0.847 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -2.958 -4.837 2.634 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.352 -2.638 1.846 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.149 -3.698 2.722 1.00 0.00 C ATOM 0 H TRP A 38 -6.585 -1.832 1.218 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.212 -1.735 -1.678 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.124 -3.850 -2.044 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.981 -2.590 -1.625 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.438 -5.854 -0.210 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.997 -6.701 1.771 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.463 -1.768 0.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.829 -5.680 3.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.709 -1.776 1.943 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.370 -3.643 3.468 1.00 0.00 H new ATOM 551 N GLU A 39 -8.969 -3.509 -1.287 1.00 0.00 N ATOM 552 CA GLU A 39 -10.172 -4.266 -0.986 1.00 0.00 C ATOM 553 C GLU A 39 -9.813 -5.574 -0.277 1.00 0.00 C ATOM 554 O GLU A 39 -8.670 -5.767 0.135 1.00 0.00 O ATOM 555 CB GLU A 39 -10.984 -4.534 -2.255 1.00 0.00 C ATOM 556 CG GLU A 39 -12.339 -3.826 -2.199 1.00 0.00 C ATOM 557 CD GLU A 39 -13.457 -4.809 -1.846 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.857 -5.565 -2.758 1.00 0.00 O ATOM 559 OE2 GLU A 39 -13.887 -4.782 -0.673 1.00 0.00 O ATOM 0 H GLU A 39 -8.811 -3.337 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.793 -3.672 -0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.427 -4.191 -3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.135 -5.607 -2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.305 -3.027 -1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.550 -3.360 -3.162 1.00 0.00 H new ATOM 566 N GLN A 40 -10.810 -6.438 -0.158 1.00 0.00 N ATOM 567 CA GLN A 40 -10.613 -7.722 0.493 1.00 0.00 C ATOM 568 C GLN A 40 -10.771 -8.860 -0.518 1.00 0.00 C ATOM 569 O GLN A 40 -11.563 -8.758 -1.454 1.00 0.00 O ATOM 570 CB GLN A 40 -11.578 -7.895 1.668 1.00 0.00 C ATOM 571 CG GLN A 40 -13.032 -7.837 1.196 1.00 0.00 C ATOM 572 CD GLN A 40 -13.997 -8.044 2.365 1.00 0.00 C ATOM 573 OE1 GLN A 40 -13.912 -9.006 3.111 1.00 0.00 O ATOM 574 NE2 GLN A 40 -14.917 -7.090 2.484 1.00 0.00 N ATOM 0 H GLN A 40 -11.756 -6.274 -0.501 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.599 -7.754 0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.390 -8.849 2.161 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.400 -7.114 2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.227 -6.873 0.725 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.203 -8.602 0.439 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.932 -6.311 1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.607 -7.137 3.234 1.00 0.00 H new ATOM 583 N VAL A 41 -10.005 -9.917 -0.295 1.00 0.00 N ATOM 584 CA VAL A 41 -10.050 -11.073 -1.175 1.00 0.00 C ATOM 585 C VAL A 41 -10.850 -12.190 -0.502 1.00 0.00 C ATOM 586 O VAL A 41 -10.425 -12.738 0.513 1.00 0.00 O ATOM 587 CB VAL A 41 -8.629 -11.499 -1.551 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.595 -12.964 -1.991 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.053 -10.587 -2.637 1.00 0.00 C ATOM 0 H VAL A 41 -9.349 -9.998 0.482 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.559 -10.825 -2.107 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.003 -11.401 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.574 -13.242 -2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.946 -13.597 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.241 -13.098 -2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.043 -10.911 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.681 -10.639 -3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.025 -9.560 -2.273 1.00 0.00 H new ATOM 599 N LYS A 42 -11.995 -12.493 -1.096 1.00 0.00 N ATOM 600 CA LYS A 42 -12.859 -13.535 -0.567 1.00 0.00 C ATOM 601 C LYS A 42 -12.810 -14.752 -1.493 1.00 0.00 C ATOM 602 O LYS A 42 -13.268 -14.688 -2.632 1.00 0.00 O ATOM 603 CB LYS A 42 -14.272 -12.994 -0.337 1.00 0.00 C ATOM 604 CG LYS A 42 -14.318 -12.085 0.892 1.00 0.00 C ATOM 605 CD LYS A 42 -14.597 -12.892 2.161 1.00 0.00 C ATOM 606 CE LYS A 42 -16.012 -13.473 2.142 1.00 0.00 C ATOM 607 NZ LYS A 42 -16.472 -13.764 3.518 1.00 0.00 N ATOM 0 H LYS A 42 -12.344 -12.036 -1.938 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.505 -13.863 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.600 -12.440 -1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.966 -13.824 -0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.370 -11.557 0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.092 -11.329 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.870 -13.699 2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.474 -12.254 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.694 -12.769 1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.029 -14.386 1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.434 -14.158 3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.830 -14.453 3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.475 -12.886 4.076 1.00 0.00 H new ATOM 621 N ALA A 43 -12.249 -15.832 -0.969 1.00 0.00 N ATOM 622 CA ALA A 43 -12.133 -17.061 -1.734 1.00 0.00 C ATOM 623 C ALA A 43 -13.521 -17.684 -1.903 1.00 0.00 C ATOM 624 O ALA A 43 -14.413 -17.450 -1.090 1.00 0.00 O ATOM 625 CB ALA A 43 -11.152 -18.006 -1.038 1.00 0.00 C ATOM 0 H ALA A 43 -11.870 -15.881 -0.023 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.739 -16.857 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.065 -18.928 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.175 -17.529 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.516 -18.235 -0.037 1.00 0.00 H new ATOM 677 N GLU A 47 -12.047 -22.881 -2.087 1.00 0.00 N ATOM 678 CA GLU A 47 -10.718 -22.353 -1.828 1.00 0.00 C ATOM 679 C GLU A 47 -10.576 -21.971 -0.354 1.00 0.00 C ATOM 680 O GLU A 47 -11.478 -22.220 0.445 1.00 0.00 O ATOM 681 CB GLU A 47 -10.415 -21.160 -2.736 1.00 0.00 C ATOM 682 CG GLU A 47 -9.995 -21.625 -4.132 1.00 0.00 C ATOM 683 CD GLU A 47 -8.721 -20.910 -4.587 1.00 0.00 C ATOM 684 OE1 GLU A 47 -7.701 -21.064 -3.882 1.00 0.00 O ATOM 685 OE2 GLU A 47 -8.796 -20.226 -5.631 1.00 0.00 O ATOM 0 HA GLU A 47 -9.989 -23.132 -2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.296 -20.523 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.621 -20.556 -2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.829 -22.702 -4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.799 -21.430 -4.842 1.00 0.00 H new ATOM 692 N SER A 48 -9.438 -21.371 -0.037 1.00 0.00 N ATOM 693 CA SER A 48 -9.167 -20.952 1.327 1.00 0.00 C ATOM 694 C SER A 48 -9.342 -19.437 1.453 1.00 0.00 C ATOM 695 O SER A 48 -8.824 -18.679 0.635 1.00 0.00 O ATOM 696 CB SER A 48 -7.758 -21.362 1.760 1.00 0.00 C ATOM 697 OG SER A 48 -7.725 -22.687 2.282 1.00 0.00 O ATOM 0 H SER A 48 -8.693 -21.165 -0.702 1.00 0.00 H new ATOM 0 HA SER A 48 -9.879 -21.450 1.986 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.082 -21.291 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.394 -20.666 2.515 1.00 0.00 H new ATOM 0 HG SER A 48 -6.808 -22.912 2.546 1.00 0.00 H new ATOM 703 N GLU A 49 -10.072 -19.041 2.485 1.00 0.00 N ATOM 704 CA GLU A 49 -10.321 -17.631 2.729 1.00 0.00 C ATOM 705 C GLU A 49 -9.026 -16.925 3.135 1.00 0.00 C ATOM 706 O GLU A 49 -8.063 -17.574 3.543 1.00 0.00 O ATOM 707 CB GLU A 49 -11.405 -17.441 3.792 1.00 0.00 C ATOM 708 CG GLU A 49 -10.829 -17.613 5.199 1.00 0.00 C ATOM 709 CD GLU A 49 -11.855 -18.252 6.138 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.816 -17.539 6.498 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.654 -19.439 6.473 1.00 0.00 O ATOM 0 H GLU A 49 -10.499 -19.673 3.162 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.682 -17.181 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.845 -16.449 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.206 -18.162 3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.934 -18.234 5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.525 -16.643 5.593 1.00 0.00 H new ATOM 718 N VAL A 50 -9.043 -15.607 3.008 1.00 0.00 N ATOM 719 CA VAL A 50 -7.881 -14.806 3.357 1.00 0.00 C ATOM 720 C VAL A 50 -7.975 -14.391 4.826 1.00 0.00 C ATOM 721 O VAL A 50 -8.983 -13.829 5.253 1.00 0.00 O ATOM 722 CB VAL A 50 -7.763 -13.614 2.405 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.663 -12.654 2.864 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.518 -14.081 0.969 1.00 0.00 C ATOM 0 H VAL A 50 -9.843 -15.073 2.668 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.967 -15.389 3.242 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.710 -13.074 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.599 -11.815 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.897 -12.283 3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.708 -13.179 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.438 -13.214 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.592 -14.655 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.349 -14.707 0.643 1.00 0.00 H new ATOM 734 N THR A 51 -6.912 -14.684 5.560 1.00 0.00 N ATOM 735 CA THR A 51 -6.862 -14.348 6.973 1.00 0.00 C ATOM 736 C THR A 51 -5.875 -13.204 7.215 1.00 0.00 C ATOM 737 O THR A 51 -5.811 -12.656 8.314 1.00 0.00 O ATOM 738 CB THR A 51 -6.520 -15.621 7.750 1.00 0.00 C ATOM 739 OG1 THR A 51 -5.275 -16.040 7.198 1.00 0.00 O ATOM 740 CG2 THR A 51 -7.475 -16.774 7.435 1.00 0.00 C ATOM 0 H THR A 51 -6.078 -15.151 5.203 1.00 0.00 H new ATOM 0 HA THR A 51 -7.826 -13.983 7.327 1.00 0.00 H new ATOM 0 HB THR A 51 -6.545 -15.411 8.819 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.978 -16.859 7.646 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.188 -17.653 8.013 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.493 -16.485 7.696 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.426 -17.007 6.371 1.00 0.00 H new ATOM 748 N GLY A 52 -5.129 -12.878 6.169 1.00 0.00 N ATOM 749 CA GLY A 52 -4.147 -11.810 6.254 1.00 0.00 C ATOM 750 C GLY A 52 -3.620 -11.439 4.867 1.00 0.00 C ATOM 751 O GLY A 52 -4.192 -11.838 3.854 1.00 0.00 O ATOM 0 H GLY A 52 -5.185 -13.335 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.596 -10.934 6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.319 -12.122 6.890 1.00 0.00 H new ATOM 755 N TYR A 53 -2.535 -10.678 4.866 1.00 0.00 N ATOM 756 CA TYR A 53 -1.924 -10.248 3.619 1.00 0.00 C ATOM 757 C TYR A 53 -0.453 -9.881 3.828 1.00 0.00 C ATOM 758 O TYR A 53 -0.010 -9.699 4.961 1.00 0.00 O ATOM 759 CB TYR A 53 -2.692 -9.000 3.182 1.00 0.00 C ATOM 760 CG TYR A 53 -4.115 -9.283 2.696 1.00 0.00 C ATOM 761 CD1 TYR A 53 -5.141 -9.423 3.609 1.00 0.00 C ATOM 762 CD2 TYR A 53 -4.373 -9.399 1.345 1.00 0.00 C ATOM 763 CE1 TYR A 53 -6.480 -9.689 3.152 1.00 0.00 C ATOM 764 CE2 TYR A 53 -5.712 -9.666 0.888 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.700 -9.798 1.814 1.00 0.00 C ATOM 766 OH TYR A 53 -7.965 -10.050 1.383 1.00 0.00 O ATOM 0 H TYR A 53 -2.063 -10.348 5.708 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.964 -11.045 2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.737 -8.302 4.018 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.138 -8.506 2.384 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.939 -9.333 4.666 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.570 -9.289 0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.292 -9.800 3.856 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.927 -9.759 -0.166 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.598 -9.885 2.113 1.00 0.00 H new ATOM 776 N LYS A 54 0.262 -9.782 2.717 1.00 0.00 N ATOM 777 CA LYS A 54 1.673 -9.439 2.764 1.00 0.00 C ATOM 778 C LYS A 54 1.924 -8.210 1.889 1.00 0.00 C ATOM 779 O LYS A 54 1.712 -8.251 0.678 1.00 0.00 O ATOM 780 CB LYS A 54 2.531 -10.649 2.386 1.00 0.00 C ATOM 781 CG LYS A 54 2.417 -11.753 3.438 1.00 0.00 C ATOM 782 CD LYS A 54 3.358 -12.916 3.118 1.00 0.00 C ATOM 783 CE LYS A 54 3.575 -13.800 4.347 1.00 0.00 C ATOM 784 NZ LYS A 54 4.428 -14.961 4.007 1.00 0.00 N ATOM 0 H LYS A 54 -0.109 -9.933 1.779 1.00 0.00 H new ATOM 0 HA LYS A 54 1.967 -9.173 3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.217 -11.033 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.573 -10.344 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.655 -11.348 4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.389 -12.114 3.482 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.942 -13.512 2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.316 -12.528 2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.042 -13.219 5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.614 -14.146 4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.174 -15.767 4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.283 -15.218 3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.427 -14.714 4.160 1.00 0.00 H new ATOM 798 N VAL A 55 2.373 -7.144 2.536 1.00 0.00 N ATOM 799 CA VAL A 55 2.655 -5.905 1.832 1.00 0.00 C ATOM 800 C VAL A 55 4.115 -5.904 1.375 1.00 0.00 C ATOM 801 O VAL A 55 5.015 -5.615 2.162 1.00 0.00 O ATOM 802 CB VAL A 55 2.306 -4.708 2.719 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.442 -3.395 1.946 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.901 -4.854 3.308 1.00 0.00 C ATOM 0 H VAL A 55 2.548 -7.113 3.540 1.00 0.00 H new ATOM 0 HA VAL A 55 2.035 -5.823 0.939 1.00 0.00 H new ATOM 0 HB VAL A 55 3.016 -4.685 3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.188 -2.560 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.468 -3.283 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.766 -3.405 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.678 -3.990 3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.172 -4.914 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.851 -5.761 3.910 1.00 0.00 H new ATOM 814 N PHE A 56 4.305 -6.231 0.105 1.00 0.00 N ATOM 815 CA PHE A 56 5.640 -6.271 -0.466 1.00 0.00 C ATOM 816 C PHE A 56 6.057 -4.894 -0.984 1.00 0.00 C ATOM 817 O PHE A 56 5.645 -4.484 -2.069 1.00 0.00 O ATOM 818 CB PHE A 56 5.596 -7.253 -1.638 1.00 0.00 C ATOM 819 CG PHE A 56 5.678 -8.723 -1.223 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.637 -9.305 -0.569 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.793 -9.449 -1.508 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.714 -10.669 -0.184 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.869 -10.813 -1.123 1.00 0.00 C ATOM 824 CZ PHE A 56 5.828 -11.395 -0.469 1.00 0.00 C ATOM 0 H PHE A 56 3.556 -6.471 -0.545 1.00 0.00 H new ATOM 0 HA PHE A 56 6.360 -6.576 0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.673 -7.095 -2.196 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.421 -7.031 -2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.752 -8.729 -0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.620 -8.987 -2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.887 -11.131 0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.754 -11.389 -1.349 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.886 -12.433 -0.176 1.00 0.00 H new ATOM 834 N TYR A 57 6.868 -4.216 -0.186 1.00 0.00 N ATOM 835 CA TYR A 57 7.345 -2.893 -0.550 1.00 0.00 C ATOM 836 C TYR A 57 8.838 -2.921 -0.885 1.00 0.00 C ATOM 837 O TYR A 57 9.626 -3.542 -0.173 1.00 0.00 O ATOM 838 CB TYR A 57 7.128 -2.012 0.681 1.00 0.00 C ATOM 839 CG TYR A 57 7.665 -2.615 1.981 1.00 0.00 C ATOM 840 CD1 TYR A 57 8.966 -2.368 2.369 1.00 0.00 C ATOM 841 CD2 TYR A 57 6.849 -3.406 2.764 1.00 0.00 C ATOM 842 CE1 TYR A 57 9.472 -2.935 3.592 1.00 0.00 C ATOM 843 CE2 TYR A 57 7.355 -3.973 3.987 1.00 0.00 C ATOM 844 CZ TYR A 57 8.642 -3.710 4.341 1.00 0.00 C ATOM 845 OH TYR A 57 9.119 -4.246 5.496 1.00 0.00 O ATOM 0 H TYR A 57 7.207 -4.559 0.713 1.00 0.00 H new ATOM 0 HA TYR A 57 6.815 -2.523 -1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.608 -1.048 0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.061 -1.821 0.795 1.00 0.00 H new ATOM 0 HD1 TYR A 57 9.604 -1.750 1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.831 -3.600 2.459 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.488 -2.749 3.908 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.727 -4.593 4.609 1.00 0.00 H new ATOM 0 HH TYR A 57 8.415 -4.775 5.926 1.00 0.00 H new ATOM 855 N ARG A 58 9.182 -2.242 -1.970 1.00 0.00 N ATOM 856 CA ARG A 58 10.566 -2.181 -2.408 1.00 0.00 C ATOM 857 C ARG A 58 10.793 -0.944 -3.278 1.00 0.00 C ATOM 858 O ARG A 58 10.006 -0.662 -4.180 1.00 0.00 O ATOM 859 CB ARG A 58 10.947 -3.432 -3.202 1.00 0.00 C ATOM 860 CG ARG A 58 9.818 -3.847 -4.147 1.00 0.00 C ATOM 861 CD ARG A 58 10.371 -4.564 -5.380 1.00 0.00 C ATOM 862 NE ARG A 58 10.623 -3.587 -6.463 1.00 0.00 N ATOM 863 CZ ARG A 58 10.952 -3.924 -7.717 1.00 0.00 C ATOM 864 NH1 ARG A 58 11.071 -5.215 -8.055 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.163 -2.970 -8.634 1.00 0.00 N ATOM 0 H ARG A 58 8.526 -1.729 -2.559 1.00 0.00 H new ATOM 0 HA ARG A 58 11.194 -2.124 -1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.854 -3.241 -3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.170 -4.249 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.122 -4.502 -3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.255 -2.966 -4.456 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.295 -5.083 -5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.663 -5.321 -5.719 1.00 0.00 H new ATOM 0 HE ARG A 58 10.541 -2.595 -6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.911 -5.942 -7.357 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.322 -5.471 -9.010 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.073 -1.987 -8.377 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.414 -3.227 -9.589 1.00 0.00 H new ATOM 879 N THR A 59 11.873 -0.238 -2.976 1.00 0.00 N ATOM 880 CA THR A 59 12.214 0.963 -3.720 1.00 0.00 C ATOM 881 C THR A 59 12.391 0.639 -5.204 1.00 0.00 C ATOM 882 O THR A 59 12.500 -0.527 -5.580 1.00 0.00 O ATOM 883 CB THR A 59 13.461 1.577 -3.080 1.00 0.00 C ATOM 884 OG1 THR A 59 13.258 1.397 -1.681 1.00 0.00 O ATOM 885 CG2 THR A 59 13.521 3.096 -3.255 1.00 0.00 C ATOM 0 H THR A 59 12.523 -0.475 -2.226 1.00 0.00 H new ATOM 0 HA THR A 59 11.411 1.698 -3.674 1.00 0.00 H new ATOM 0 HB THR A 59 14.352 1.126 -3.516 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.022 1.766 -1.190 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.425 3.481 -2.783 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.534 3.340 -4.317 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.647 3.551 -2.790 1.00 0.00 H new ATOM 893 N SER A 60 12.413 1.692 -6.008 1.00 0.00 N ATOM 894 CA SER A 60 12.574 1.534 -7.444 1.00 0.00 C ATOM 895 C SER A 60 13.904 0.842 -7.748 1.00 0.00 C ATOM 896 O SER A 60 14.934 1.501 -7.884 1.00 0.00 O ATOM 897 CB SER A 60 12.503 2.885 -8.158 1.00 0.00 C ATOM 898 OG SER A 60 13.555 3.044 -9.106 1.00 0.00 O ATOM 0 H SER A 60 12.322 2.658 -5.693 1.00 0.00 H new ATOM 0 HA SER A 60 11.757 0.915 -7.814 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.542 2.977 -8.664 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.554 3.687 -7.422 1.00 0.00 H new ATOM 0 HG SER A 60 14.420 2.980 -8.649 1.00 0.00 H new ATOM 960 N VAL A 65 12.825 -7.371 -1.938 1.00 0.00 N ATOM 961 CA VAL A 65 11.653 -6.725 -1.372 1.00 0.00 C ATOM 962 C VAL A 65 11.373 -7.311 0.013 1.00 0.00 C ATOM 963 O VAL A 65 11.701 -8.466 0.281 1.00 0.00 O ATOM 964 CB VAL A 65 10.468 -6.860 -2.330 1.00 0.00 C ATOM 965 CG1 VAL A 65 10.117 -8.331 -2.564 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.255 -6.083 -1.814 1.00 0.00 C ATOM 0 HA VAL A 65 11.829 -5.657 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 65 10.760 -6.429 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.271 -8.399 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.975 -8.846 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.854 -8.798 -1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.427 -6.195 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.962 -6.472 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.511 -5.028 -1.722 1.00 0.00 H new ATOM 976 N GLN A 66 10.769 -6.488 0.857 1.00 0.00 N ATOM 977 CA GLN A 66 10.440 -6.910 2.208 1.00 0.00 C ATOM 978 C GLN A 66 8.961 -7.290 2.301 1.00 0.00 C ATOM 979 O GLN A 66 8.194 -7.044 1.372 1.00 0.00 O ATOM 980 CB GLN A 66 10.791 -5.821 3.224 1.00 0.00 C ATOM 981 CG GLN A 66 12.260 -5.912 3.640 1.00 0.00 C ATOM 982 CD GLN A 66 12.529 -5.070 4.890 1.00 0.00 C ATOM 983 OE1 GLN A 66 12.421 -3.855 4.886 1.00 0.00 O ATOM 984 NE2 GLN A 66 12.884 -5.783 5.955 1.00 0.00 N ATOM 0 H GLN A 66 10.499 -5.531 0.632 1.00 0.00 H new ATOM 0 HA GLN A 66 11.037 -7.790 2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.591 -4.840 2.794 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.154 -5.920 4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.523 -6.952 3.834 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.895 -5.570 2.823 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.955 -6.798 5.888 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.085 -5.315 6.838 1.00 0.00 H new ATOM 993 N VAL A 67 8.605 -7.885 3.430 1.00 0.00 N ATOM 994 CA VAL A 67 7.232 -8.301 3.656 1.00 0.00 C ATOM 995 C VAL A 67 6.737 -7.716 4.981 1.00 0.00 C ATOM 996 O VAL A 67 7.463 -7.718 5.974 1.00 0.00 O ATOM 997 CB VAL A 67 7.132 -9.827 3.603 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.854 -10.318 4.287 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.211 -10.332 2.161 1.00 0.00 C ATOM 0 H VAL A 67 9.244 -8.089 4.198 1.00 0.00 H new ATOM 0 HA VAL A 67 6.583 -7.918 2.869 1.00 0.00 H new ATOM 0 HB VAL A 67 7.982 -10.237 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.808 -11.406 4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.857 -10.005 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.986 -9.894 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.138 -11.419 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.391 -9.908 1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.161 -10.029 1.721 1.00 0.00 H new ATOM 1009 N LEU A 68 5.505 -7.229 4.952 1.00 0.00 N ATOM 1010 CA LEU A 68 4.905 -6.642 6.138 1.00 0.00 C ATOM 1011 C LEU A 68 3.613 -7.389 6.474 1.00 0.00 C ATOM 1012 O LEU A 68 2.744 -7.550 5.618 1.00 0.00 O ATOM 1013 CB LEU A 68 4.713 -5.135 5.951 1.00 0.00 C ATOM 1014 CG LEU A 68 3.523 -4.514 6.686 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.853 -3.099 7.165 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.264 -4.547 5.817 1.00 0.00 C ATOM 0 H LEU A 68 4.906 -7.229 4.126 1.00 0.00 H new ATOM 0 HA LEU A 68 5.569 -6.752 6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.621 -4.630 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.603 -4.932 4.886 1.00 0.00 H new ATOM 0 HG LEU A 68 3.317 -5.114 7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.991 -2.680 7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.704 -3.134 7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.100 -2.473 6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.433 -4.100 6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.440 -3.985 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.021 -5.580 5.568 1.00 0.00 H new ATOM 1028 N ASN A 69 3.528 -7.826 7.722 1.00 0.00 N ATOM 1029 CA ASN A 69 2.356 -8.552 8.182 1.00 0.00 C ATOM 1030 C ASN A 69 1.236 -7.559 8.495 1.00 0.00 C ATOM 1031 O ASN A 69 1.448 -6.586 9.217 1.00 0.00 O ATOM 1032 CB ASN A 69 2.662 -9.339 9.458 1.00 0.00 C ATOM 1033 CG ASN A 69 2.593 -10.846 9.203 1.00 0.00 C ATOM 1034 OD1 ASN A 69 1.711 -11.542 9.679 1.00 0.00 O ATOM 1035 ND2 ASN A 69 3.569 -11.309 8.429 1.00 0.00 N ATOM 0 H ASN A 69 4.251 -7.691 8.429 1.00 0.00 H new ATOM 0 HA ASN A 69 2.057 -9.244 7.395 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.654 -9.074 9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.951 -9.066 10.237 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.611 -12.302 8.200 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.276 -10.671 8.063 1.00 0.00 H new ATOM 1042 N THR A 70 0.067 -7.839 7.938 1.00 0.00 N ATOM 1043 CA THR A 70 -1.087 -6.982 8.149 1.00 0.00 C ATOM 1044 C THR A 70 -2.373 -7.813 8.160 1.00 0.00 C ATOM 1045 O THR A 70 -2.748 -8.396 7.145 1.00 0.00 O ATOM 1046 CB THR A 70 -1.074 -5.897 7.071 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.446 -5.544 6.917 1.00 0.00 O ATOM 1048 CG2 THR A 70 -0.674 -6.441 5.698 1.00 0.00 C ATOM 0 H THR A 70 -0.106 -8.648 7.341 1.00 0.00 H new ATOM 0 HA THR A 70 -1.044 -6.493 9.122 1.00 0.00 H new ATOM 0 HB THR A 70 -0.385 -5.104 7.363 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.511 -4.643 6.536 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.681 -5.630 4.969 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.326 -6.870 5.754 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.382 -7.210 5.391 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.012 -7.839 9.321 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.247 -8.588 9.478 1.00 0.00 C ATOM 1058 C ASN A 71 -5.434 -7.683 9.141 1.00 0.00 C ATOM 1059 O ASN A 71 -6.446 -7.694 9.840 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.417 -9.074 10.918 1.00 0.00 C ATOM 1061 CG ASN A 71 -3.336 -10.092 11.285 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -3.381 -11.250 10.901 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -2.364 -9.599 12.047 1.00 0.00 N ATOM 0 H ASN A 71 -2.698 -7.354 10.161 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.207 -9.448 8.810 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.369 -8.225 11.600 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.402 -9.525 11.039 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.595 -10.200 12.345 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.387 -8.620 12.333 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.269 -6.920 8.070 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.314 -6.010 7.632 1.00 0.00 C ATOM 1072 C LYS A 72 -6.226 -5.831 6.115 1.00 0.00 C ATOM 1073 O LYS A 72 -5.409 -6.474 5.457 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.242 -4.696 8.412 1.00 0.00 C ATOM 1075 CG LYS A 72 -4.813 -4.149 8.434 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.487 -3.522 9.790 1.00 0.00 C ATOM 1077 CE LYS A 72 -3.125 -2.825 9.759 1.00 0.00 C ATOM 1078 NZ LYS A 72 -3.090 -1.710 10.732 1.00 0.00 N ATOM 0 H LYS A 72 -4.428 -6.913 7.493 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.298 -6.428 7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.909 -3.963 7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.590 -4.855 9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.109 -4.953 8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.693 -3.405 7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.261 -2.803 10.058 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.488 -4.293 10.561 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.338 -3.542 9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.926 -2.447 8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.159 -1.248 10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.829 -1.018 10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.258 -2.079 11.690 1.00 0.00 H new ATOM 1092 N THR A 73 -7.077 -4.953 5.605 1.00 0.00 N ATOM 1093 CA THR A 73 -7.105 -4.681 4.178 1.00 0.00 C ATOM 1094 C THR A 73 -6.353 -3.386 3.867 1.00 0.00 C ATOM 1095 O THR A 73 -6.364 -2.915 2.731 1.00 0.00 O ATOM 1096 CB THR A 73 -8.568 -4.657 3.729 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.287 -4.309 4.909 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.093 -6.049 3.370 1.00 0.00 C ATOM 0 H THR A 73 -7.752 -4.421 6.154 1.00 0.00 H new ATOM 0 HA THR A 73 -6.591 -5.461 3.617 1.00 0.00 H new ATOM 0 HB THR A 73 -8.673 -3.996 2.868 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.042 -3.401 5.185 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.135 -5.976 3.058 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.499 -6.463 2.555 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.020 -6.701 4.240 1.00 0.00 H new ATOM 1106 N SER A 74 -5.718 -2.846 4.897 1.00 0.00 N ATOM 1107 CA SER A 74 -4.962 -1.614 4.748 1.00 0.00 C ATOM 1108 C SER A 74 -3.542 -1.804 5.285 1.00 0.00 C ATOM 1109 O SER A 74 -3.185 -2.890 5.738 1.00 0.00 O ATOM 1110 CB SER A 74 -5.652 -0.454 5.469 1.00 0.00 C ATOM 1111 OG SER A 74 -6.401 -0.897 6.597 1.00 0.00 O ATOM 0 H SER A 74 -5.712 -3.239 5.838 1.00 0.00 H new ATOM 0 HA SER A 74 -4.913 -1.369 3.687 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.903 0.269 5.792 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.314 0.062 4.774 1.00 0.00 H new ATOM 0 HG SER A 74 -6.825 -0.127 7.031 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.769 -0.729 5.216 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.396 -0.763 5.690 1.00 0.00 C ATOM 1119 C ALA A 75 -0.834 0.659 5.712 1.00 0.00 C ATOM 1120 O ALA A 75 -1.472 1.591 5.226 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.574 -1.702 4.804 1.00 0.00 C ATOM 0 H ALA A 75 -3.068 0.170 4.839 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.350 -1.151 6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.456 -1.728 5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.998 -2.705 4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.594 -1.342 3.775 1.00 0.00 H new ATOM 1127 N GLU A 76 0.356 0.782 6.282 1.00 0.00 N ATOM 1128 CA GLU A 76 1.012 2.075 6.375 1.00 0.00 C ATOM 1129 C GLU A 76 2.532 1.904 6.322 1.00 0.00 C ATOM 1130 O GLU A 76 3.115 1.232 7.171 1.00 0.00 O ATOM 1131 CB GLU A 76 0.588 2.815 7.645 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.837 3.358 7.513 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.325 3.943 8.839 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -0.453 4.355 9.633 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -2.561 3.966 9.029 1.00 0.00 O ATOM 0 H GLU A 76 0.883 0.007 6.684 1.00 0.00 H new ATOM 0 HA GLU A 76 0.704 2.679 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.647 2.141 8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.278 3.637 7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.867 4.125 6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.507 2.559 7.195 1.00 0.00 H new ATOM 1142 N LEU A 77 3.130 2.525 5.315 1.00 0.00 N ATOM 1143 CA LEU A 77 4.570 2.450 5.140 1.00 0.00 C ATOM 1144 C LEU A 77 5.190 3.811 5.463 1.00 0.00 C ATOM 1145 O LEU A 77 4.484 4.745 5.841 1.00 0.00 O ATOM 1146 CB LEU A 77 4.914 1.935 3.741 1.00 0.00 C ATOM 1147 CG LEU A 77 4.465 0.507 3.424 1.00 0.00 C ATOM 1148 CD1 LEU A 77 5.260 -0.513 4.241 1.00 0.00 C ATOM 1149 CD2 LEU A 77 2.956 0.350 3.623 1.00 0.00 C ATOM 0 H LEU A 77 2.643 3.082 4.613 1.00 0.00 H new ATOM 0 HA LEU A 77 5.001 1.729 5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.467 2.607 3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.994 1.993 3.609 1.00 0.00 H new ATOM 0 HG LEU A 77 4.674 0.309 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.921 -1.519 3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.320 -0.420 4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.106 -0.327 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.663 -0.674 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.700 0.575 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.428 1.037 2.961 1.00 0.00 H new ATOM 1161 N VAL A 78 6.503 3.881 5.302 1.00 0.00 N ATOM 1162 CA VAL A 78 7.226 5.112 5.572 1.00 0.00 C ATOM 1163 C VAL A 78 7.222 5.987 4.317 1.00 0.00 C ATOM 1164 O VAL A 78 6.489 5.712 3.367 1.00 0.00 O ATOM 1165 CB VAL A 78 8.636 4.792 6.073 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.588 4.055 7.412 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.418 3.988 5.032 1.00 0.00 C ATOM 0 H VAL A 78 7.085 3.105 4.988 1.00 0.00 H new ATOM 0 HA VAL A 78 6.735 5.677 6.364 1.00 0.00 H new ATOM 0 HB VAL A 78 9.158 5.736 6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.603 3.840 7.745 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.087 4.679 8.153 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.039 3.121 7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.417 3.774 5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.898 3.052 4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.497 4.565 4.111 1.00 0.00 H new ATOM 1177 N LEU A 79 8.048 7.022 4.352 1.00 0.00 N ATOM 1178 CA LEU A 79 8.149 7.938 3.229 1.00 0.00 C ATOM 1179 C LEU A 79 9.331 7.530 2.348 1.00 0.00 C ATOM 1180 O LEU A 79 10.365 7.097 2.852 1.00 0.00 O ATOM 1181 CB LEU A 79 8.221 9.384 3.723 1.00 0.00 C ATOM 1182 CG LEU A 79 6.896 10.008 4.167 1.00 0.00 C ATOM 1183 CD1 LEU A 79 7.104 11.439 4.667 1.00 0.00 C ATOM 1184 CD2 LEU A 79 5.855 9.939 3.048 1.00 0.00 C ATOM 0 H LEU A 79 8.654 7.247 5.141 1.00 0.00 H new ATOM 0 HA LEU A 79 7.254 7.881 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.918 9.427 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.640 9.999 2.927 1.00 0.00 H new ATOM 0 HG LEU A 79 6.509 9.427 5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.147 11.859 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.788 11.432 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.525 12.047 3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.923 10.389 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.221 10.481 2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.678 8.898 2.780 1.00 0.00 H new ATOM 1196 N PRO A 80 9.132 7.686 1.011 1.00 0.00 N ATOM 1197 CA PRO A 80 10.169 7.338 0.055 1.00 0.00 C ATOM 1198 C PRO A 80 11.282 8.388 0.047 1.00 0.00 C ATOM 1199 O PRO A 80 11.010 9.586 -0.029 1.00 0.00 O ATOM 1200 CB PRO A 80 9.450 7.225 -1.280 1.00 0.00 C ATOM 1201 CG PRO A 80 8.133 7.963 -1.109 1.00 0.00 C ATOM 1202 CD PRO A 80 7.919 8.196 0.378 1.00 0.00 C ATOM 0 HA PRO A 80 10.673 6.404 0.302 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.043 7.666 -2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.281 6.181 -1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.155 8.912 -1.645 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.312 7.380 -1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.773 9.254 0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.034 7.671 0.738 1.00 0.00 H new ATOM 1210 N ILE A 81 12.511 7.901 0.127 1.00 0.00 N ATOM 1211 CA ILE A 81 13.666 8.783 0.130 1.00 0.00 C ATOM 1212 C ILE A 81 13.826 9.411 -1.256 1.00 0.00 C ATOM 1213 O ILE A 81 13.615 10.611 -1.425 1.00 0.00 O ATOM 1214 CB ILE A 81 14.910 8.034 0.613 1.00 0.00 C ATOM 1215 CG1 ILE A 81 14.686 7.439 2.005 1.00 0.00 C ATOM 1216 CG2 ILE A 81 16.145 8.935 0.567 1.00 0.00 C ATOM 1217 CD1 ILE A 81 14.082 6.037 1.912 1.00 0.00 C ATOM 0 H ILE A 81 12.733 6.907 0.190 1.00 0.00 H new ATOM 0 HA ILE A 81 13.520 9.601 0.836 1.00 0.00 H new ATOM 0 HB ILE A 81 15.093 7.202 -0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 81 15.633 7.396 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 81 14.023 8.087 2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 81 17.015 8.378 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.314 9.269 -0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.988 9.801 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 81 13.933 5.638 2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 81 13.123 6.087 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 81 14.758 5.385 1.359 1.00 0.00 H new ATOM 1229 N LYS A 82 14.198 8.573 -2.212 1.00 0.00 N ATOM 1230 CA LYS A 82 14.389 9.031 -3.577 1.00 0.00 C ATOM 1231 C LYS A 82 13.669 8.081 -4.535 1.00 0.00 C ATOM 1232 O LYS A 82 12.491 8.271 -4.835 1.00 0.00 O ATOM 1233 CB LYS A 82 15.879 9.200 -3.882 1.00 0.00 C ATOM 1234 CG LYS A 82 16.325 10.646 -3.655 1.00 0.00 C ATOM 1235 CD LYS A 82 17.593 10.701 -2.802 1.00 0.00 C ATOM 1236 CE LYS A 82 17.572 11.911 -1.866 1.00 0.00 C ATOM 1237 NZ LYS A 82 18.881 12.069 -1.194 1.00 0.00 N ATOM 0 H LYS A 82 14.372 7.578 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 82 13.946 10.017 -3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.462 8.532 -3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.077 8.912 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.507 11.129 -4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.527 11.203 -3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.682 9.786 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.469 10.752 -3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.336 12.812 -2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.786 11.788 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.850 12.895 -0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.091 11.216 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.624 12.208 -1.909 1.00 0.00 H new ATOM 1251 N GLU A 83 14.406 7.078 -4.989 1.00 0.00 N ATOM 1252 CA GLU A 83 13.853 6.098 -5.907 1.00 0.00 C ATOM 1253 C GLU A 83 12.396 5.798 -5.549 1.00 0.00 C ATOM 1254 O GLU A 83 12.044 5.728 -4.372 1.00 0.00 O ATOM 1255 CB GLU A 83 14.690 4.817 -5.913 1.00 0.00 C ATOM 1256 CG GLU A 83 15.838 4.918 -6.920 1.00 0.00 C ATOM 1257 CD GLU A 83 17.191 4.732 -6.229 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.422 3.612 -5.726 1.00 0.00 O ATOM 1259 OE2 GLU A 83 17.963 5.715 -6.221 1.00 0.00 O ATOM 0 H GLU A 83 15.382 6.923 -4.738 1.00 0.00 H new ATOM 0 HA GLU A 83 13.882 6.516 -6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.091 4.635 -4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.057 3.965 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.714 4.162 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.808 5.889 -7.415 1.00 0.00 H new ATOM 1266 N ASP A 84 11.587 5.629 -6.585 1.00 0.00 N ATOM 1267 CA ASP A 84 10.177 5.338 -6.393 1.00 0.00 C ATOM 1268 C ASP A 84 10.029 4.170 -5.417 1.00 0.00 C ATOM 1269 O ASP A 84 11.023 3.635 -4.928 1.00 0.00 O ATOM 1270 CB ASP A 84 9.513 4.938 -7.713 1.00 0.00 C ATOM 1271 CG ASP A 84 8.848 6.086 -8.476 1.00 0.00 C ATOM 1272 OD1 ASP A 84 9.586 6.789 -9.199 1.00 0.00 O ATOM 1273 OD2 ASP A 84 7.617 6.233 -8.319 1.00 0.00 O ATOM 0 H ASP A 84 11.882 5.688 -7.560 1.00 0.00 H new ATOM 0 HA ASP A 84 9.697 6.237 -6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.265 4.481 -8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.762 4.175 -7.508 1.00 0.00 H new ATOM 1278 N TYR A 85 8.780 3.809 -5.161 1.00 0.00 N ATOM 1279 CA TYR A 85 8.489 2.714 -4.251 1.00 0.00 C ATOM 1280 C TYR A 85 7.499 1.729 -4.877 1.00 0.00 C ATOM 1281 O TYR A 85 6.387 2.109 -5.241 1.00 0.00 O ATOM 1282 CB TYR A 85 7.847 3.350 -3.017 1.00 0.00 C ATOM 1283 CG TYR A 85 8.083 2.571 -1.721 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.327 2.039 -1.452 1.00 0.00 C ATOM 1285 CD2 TYR A 85 7.050 2.399 -0.822 1.00 0.00 C ATOM 1286 CE1 TYR A 85 9.549 1.306 -0.233 1.00 0.00 C ATOM 1287 CE2 TYR A 85 7.271 1.666 0.397 1.00 0.00 C ATOM 1288 CZ TYR A 85 8.510 1.155 0.632 1.00 0.00 C ATOM 1289 OH TYR A 85 8.719 0.463 1.783 1.00 0.00 O ATOM 0 H TYR A 85 7.958 4.255 -5.568 1.00 0.00 H new ATOM 0 HA TYR A 85 9.398 2.162 -4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.237 4.361 -2.897 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.774 3.440 -3.184 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.135 2.172 -2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.076 2.814 -1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.519 0.885 -0.010 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.471 1.525 1.109 1.00 0.00 H new ATOM 0 HH TYR A 85 9.058 -0.432 1.570 1.00 0.00 H new ATOM 1299 N ILE A 86 7.938 0.484 -4.981 1.00 0.00 N ATOM 1300 CA ILE A 86 7.104 -0.558 -5.556 1.00 0.00 C ATOM 1301 C ILE A 86 6.475 -1.382 -4.431 1.00 0.00 C ATOM 1302 O ILE A 86 7.168 -2.131 -3.744 1.00 0.00 O ATOM 1303 CB ILE A 86 7.904 -1.394 -6.557 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.216 -0.587 -7.820 1.00 0.00 C ATOM 1305 CG2 ILE A 86 7.182 -2.704 -6.878 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.918 0.727 -7.471 1.00 0.00 C ATOM 0 H ILE A 86 8.861 0.173 -4.677 1.00 0.00 H new ATOM 0 HA ILE A 86 6.285 -0.118 -6.126 1.00 0.00 H new ATOM 0 HB ILE A 86 8.857 -1.656 -6.098 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.848 -1.176 -8.485 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.292 -0.378 -8.360 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.772 -3.279 -7.592 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.054 -3.283 -5.963 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.205 -2.485 -7.308 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.128 1.281 -8.386 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.273 1.324 -6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.853 0.514 -6.953 1.00 0.00 H new ATOM 1318 N ILE A 87 5.170 -1.215 -4.276 1.00 0.00 N ATOM 1319 CA ILE A 87 4.441 -1.933 -3.245 1.00 0.00 C ATOM 1320 C ILE A 87 3.603 -3.037 -3.894 1.00 0.00 C ATOM 1321 O ILE A 87 3.096 -2.865 -5.002 1.00 0.00 O ATOM 1322 CB ILE A 87 3.623 -0.962 -2.391 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.355 0.371 -2.223 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.259 -1.590 -1.044 1.00 0.00 C ATOM 1325 CD1 ILE A 87 3.893 1.095 -0.957 1.00 0.00 C ATOM 0 H ILE A 87 4.599 -0.593 -4.847 1.00 0.00 H new ATOM 0 HA ILE A 87 5.133 -2.419 -2.558 1.00 0.00 H new ATOM 0 HB ILE A 87 2.689 -0.753 -2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.430 0.196 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.174 1.002 -3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.678 -0.879 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.669 -2.491 -1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.170 -1.847 -0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.429 2.039 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.822 1.290 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.098 0.472 -0.086 1.00 0.00 H new ATOM 1337 N GLU A 88 3.484 -4.145 -3.177 1.00 0.00 N ATOM 1338 CA GLU A 88 2.716 -5.276 -3.670 1.00 0.00 C ATOM 1339 C GLU A 88 1.892 -5.892 -2.537 1.00 0.00 C ATOM 1340 O GLU A 88 2.443 -6.307 -1.519 1.00 0.00 O ATOM 1341 CB GLU A 88 3.630 -6.320 -4.313 1.00 0.00 C ATOM 1342 CG GLU A 88 3.632 -6.182 -5.837 1.00 0.00 C ATOM 1343 CD GLU A 88 3.628 -7.556 -6.512 1.00 0.00 C ATOM 1344 OE1 GLU A 88 4.075 -8.516 -5.847 1.00 0.00 O ATOM 1345 OE2 GLU A 88 3.178 -7.615 -7.677 1.00 0.00 O ATOM 0 H GLU A 88 3.906 -4.284 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 88 2.031 -4.918 -4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.645 -6.204 -3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.298 -7.320 -4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.758 -5.614 -6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.510 -5.620 -6.154 1.00 0.00 H new ATOM 1352 N VAL A 89 0.585 -5.931 -2.753 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.320 -6.489 -1.763 1.00 0.00 C ATOM 1354 C VAL A 89 -0.534 -7.976 -2.055 1.00 0.00 C ATOM 1355 O VAL A 89 -0.875 -8.349 -3.176 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.625 -5.690 -1.737 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.580 -6.234 -0.673 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.351 -4.201 -1.520 1.00 0.00 C ATOM 0 H VAL A 89 0.132 -5.585 -3.599 1.00 0.00 H new ATOM 0 HA VAL A 89 0.111 -6.413 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.107 -5.803 -2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.499 -5.648 -0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.813 -7.276 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.109 -6.166 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.295 -3.656 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.836 -4.061 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.727 -3.824 -2.330 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.326 -8.784 -1.026 1.00 0.00 N ATOM 1369 CA LYS A 90 -0.493 -10.221 -1.158 1.00 0.00 C ATOM 1370 C LYS A 90 -1.457 -10.720 -0.080 1.00 0.00 C ATOM 1371 O LYS A 90 -1.562 -10.122 0.989 1.00 0.00 O ATOM 1372 CB LYS A 90 0.867 -10.922 -1.139 1.00 0.00 C ATOM 1373 CG LYS A 90 1.341 -11.239 -2.558 1.00 0.00 C ATOM 1374 CD LYS A 90 2.096 -12.569 -2.601 1.00 0.00 C ATOM 1375 CE LYS A 90 3.059 -12.615 -3.789 1.00 0.00 C ATOM 1376 NZ LYS A 90 2.382 -13.166 -4.984 1.00 0.00 N ATOM 0 H LYS A 90 -0.043 -8.471 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.939 -10.466 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.600 -10.288 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.797 -11.843 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.484 -11.282 -3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.988 -10.438 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.651 -12.706 -1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.385 -13.392 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.429 -11.613 -4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.925 -13.228 -3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.691 -12.645 -5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.626 -14.171 -5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.352 -13.069 -4.875 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.138 -11.811 -0.399 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.090 -12.397 0.529 1.00 0.00 C ATOM 1392 C ALA A 91 -2.499 -13.680 1.117 1.00 0.00 C ATOM 1393 O ALA A 91 -1.744 -14.384 0.449 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.418 -12.644 -0.190 1.00 0.00 C ATOM 0 H ALA A 91 -2.049 -12.304 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.288 -11.716 1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.132 -13.084 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.811 -11.698 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.258 -13.326 -1.025 1.00 0.00 H new ATOM 1400 N THR A 92 -2.865 -13.945 2.363 1.00 0.00 N ATOM 1401 CA THR A 92 -2.380 -15.130 3.049 1.00 0.00 C ATOM 1402 C THR A 92 -3.554 -16.000 3.505 1.00 0.00 C ATOM 1403 O THR A 92 -4.598 -15.482 3.899 1.00 0.00 O ATOM 1404 CB THR A 92 -1.478 -14.676 4.199 1.00 0.00 C ATOM 1405 OG1 THR A 92 -2.389 -14.214 5.193 1.00 0.00 O ATOM 1406 CG2 THR A 92 -0.656 -13.436 3.842 1.00 0.00 C ATOM 0 H THR A 92 -3.492 -13.359 2.915 1.00 0.00 H new ATOM 0 HA THR A 92 -1.789 -15.758 2.382 1.00 0.00 H new ATOM 0 HB THR A 92 -0.807 -15.489 4.478 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.889 -13.902 5.976 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.033 -13.155 4.691 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.021 -13.655 2.983 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.327 -12.613 3.596 1.00 0.00 H new ATOM 1414 N THR A 93 -3.343 -17.306 3.437 1.00 0.00 N ATOM 1415 CA THR A 93 -4.370 -18.252 3.838 1.00 0.00 C ATOM 1416 C THR A 93 -3.754 -19.400 4.640 1.00 0.00 C ATOM 1417 O THR A 93 -2.592 -19.330 5.038 1.00 0.00 O ATOM 1418 CB THR A 93 -5.103 -18.716 2.577 1.00 0.00 C ATOM 1419 OG1 THR A 93 -4.098 -19.383 1.818 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.531 -17.549 1.686 1.00 0.00 C ATOM 0 H THR A 93 -2.476 -17.731 3.110 1.00 0.00 H new ATOM 0 HA THR A 93 -5.098 -17.787 4.503 1.00 0.00 H new ATOM 0 HB THR A 93 -5.981 -19.297 2.860 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.510 -20.091 1.281 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.046 -17.933 0.806 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.202 -16.894 2.242 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.650 -16.987 1.374 1.00 0.00 H new ATOM 1428 N ASP A 94 -4.560 -20.429 4.854 1.00 0.00 N ATOM 1429 CA ASP A 94 -4.109 -21.591 5.602 1.00 0.00 C ATOM 1430 C ASP A 94 -3.093 -22.368 4.763 1.00 0.00 C ATOM 1431 O ASP A 94 -2.401 -23.246 5.276 1.00 0.00 O ATOM 1432 CB ASP A 94 -5.275 -22.528 5.920 1.00 0.00 C ATOM 1433 CG ASP A 94 -5.405 -22.921 7.393 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -4.761 -23.923 7.772 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -6.145 -22.210 8.107 1.00 0.00 O ATOM 0 H ASP A 94 -5.523 -20.483 4.523 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.664 -21.241 6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.202 -22.050 5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.165 -23.435 5.326 1.00 0.00 H new ATOM 1440 N GLY A 95 -3.035 -22.018 3.486 1.00 0.00 N ATOM 1441 CA GLY A 95 -2.115 -22.673 2.572 1.00 0.00 C ATOM 1442 C GLY A 95 -0.809 -21.885 2.451 1.00 0.00 C ATOM 1443 O GLY A 95 0.226 -22.443 2.089 1.00 0.00 O ATOM 0 H GLY A 95 -3.610 -21.289 3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.904 -23.683 2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.579 -22.769 1.590 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.899 -20.600 2.762 1.00 0.00 N ATOM 1448 CA GLY A 96 0.263 -19.730 2.692 1.00 0.00 C ATOM 1449 C GLY A 96 -0.098 -18.382 2.065 1.00 0.00 C ATOM 1450 O GLY A 96 -1.159 -17.827 2.346 1.00 0.00 O ATOM 0 H GLY A 96 -1.758 -20.140 3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.665 -19.573 3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.046 -20.210 2.105 1.00 0.00 H new ATOM 1454 N ASP A 97 0.805 -17.895 1.227 1.00 0.00 N ATOM 1455 CA ASP A 97 0.595 -16.623 0.557 1.00 0.00 C ATOM 1456 C ASP A 97 -0.387 -16.816 -0.600 1.00 0.00 C ATOM 1457 O ASP A 97 -0.908 -17.912 -0.800 1.00 0.00 O ATOM 1458 CB ASP A 97 1.905 -16.081 -0.020 1.00 0.00 C ATOM 1459 CG ASP A 97 3.165 -16.484 0.748 1.00 0.00 C ATOM 1460 OD1 ASP A 97 3.362 -17.707 0.915 1.00 0.00 O ATOM 1461 OD2 ASP A 97 3.903 -15.559 1.152 1.00 0.00 O ATOM 0 H ASP A 97 1.684 -18.358 0.997 1.00 0.00 H new ATOM 0 HA ASP A 97 0.204 -15.917 1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.000 -16.424 -1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.849 -14.993 -0.050 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.610 -15.735 -1.332 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.521 -15.772 -2.464 1.00 0.00 C ATOM 1468 C GLY A 98 -0.938 -15.017 -3.660 1.00 0.00 C ATOM 1469 O GLY A 98 0.247 -15.146 -3.963 1.00 0.00 O ATOM 0 H GLY A 98 -0.176 -14.828 -1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.718 -16.807 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.477 -15.331 -2.181 1.00 0.00 H new ATOM 1473 N THR A 99 -1.799 -14.246 -4.309 1.00 0.00 N ATOM 1474 CA THR A 99 -1.385 -13.470 -5.466 1.00 0.00 C ATOM 1475 C THR A 99 -1.046 -12.036 -5.053 1.00 0.00 C ATOM 1476 O THR A 99 -1.539 -11.546 -4.038 1.00 0.00 O ATOM 1477 CB THR A 99 -2.496 -13.555 -6.514 1.00 0.00 C ATOM 1478 OG1 THR A 99 -2.691 -14.954 -6.701 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.045 -13.054 -7.887 1.00 0.00 C ATOM 0 H THR A 99 -2.782 -14.142 -4.055 1.00 0.00 H new ATOM 0 HA THR A 99 -0.472 -13.872 -5.906 1.00 0.00 H new ATOM 0 HB THR A 99 -3.355 -12.973 -6.180 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.277 -15.102 -7.472 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.871 -13.136 -8.594 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.735 -12.012 -7.810 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.207 -13.657 -8.237 1.00 0.00 H new ATOM 1487 N SER A 100 -0.208 -11.404 -5.862 1.00 0.00 N ATOM 1488 CA SER A 100 0.202 -10.037 -5.594 1.00 0.00 C ATOM 1489 C SER A 100 -0.530 -9.077 -6.535 1.00 0.00 C ATOM 1490 O SER A 100 -0.574 -9.301 -7.743 1.00 0.00 O ATOM 1491 CB SER A 100 1.716 -9.876 -5.744 1.00 0.00 C ATOM 1492 OG SER A 100 2.101 -9.689 -7.103 1.00 0.00 O ATOM 0 H SER A 100 0.198 -11.814 -6.703 1.00 0.00 H new ATOM 0 HA SER A 100 -0.061 -9.797 -4.564 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.050 -9.024 -5.152 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.216 -10.758 -5.344 1.00 0.00 H new ATOM 0 HG SER A 100 1.931 -8.761 -7.366 1.00 0.00 H new ATOM 1498 N SER A 101 -1.085 -8.029 -5.944 1.00 0.00 N ATOM 1499 CA SER A 101 -1.813 -7.035 -6.715 1.00 0.00 C ATOM 1500 C SER A 101 -0.846 -6.255 -7.609 1.00 0.00 C ATOM 1501 O SER A 101 0.361 -6.492 -7.578 1.00 0.00 O ATOM 1502 CB SER A 101 -2.576 -6.077 -5.797 1.00 0.00 C ATOM 1503 OG SER A 101 -1.698 -5.233 -5.057 1.00 0.00 O ATOM 0 H SER A 101 -1.045 -7.847 -4.941 1.00 0.00 H new ATOM 0 HA SER A 101 -2.540 -7.553 -7.341 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.251 -5.464 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.194 -6.651 -5.107 1.00 0.00 H new ATOM 0 HG SER A 101 -1.651 -4.353 -5.486 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.412 -5.343 -8.384 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.616 -4.527 -9.285 1.00 0.00 C ATOM 1511 C GLU A 102 0.378 -3.676 -8.492 1.00 0.00 C ATOM 1512 O GLU A 102 -0.013 -2.940 -7.588 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.508 -3.651 -10.166 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.685 -4.269 -11.554 1.00 0.00 C ATOM 1515 CD GLU A 102 -2.752 -5.365 -11.535 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -3.935 -5.010 -11.724 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -2.359 -6.535 -11.331 1.00 0.00 O ATOM 0 H GLU A 102 -2.413 -5.150 -8.407 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.053 -5.190 -9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.482 -3.526 -9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.069 -2.658 -10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.967 -3.495 -12.267 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.737 -4.686 -11.894 1.00 0.00 H new ATOM 1524 N GLN A 103 1.644 -3.805 -8.860 1.00 0.00 N ATOM 1525 CA GLN A 103 2.697 -3.056 -8.194 1.00 0.00 C ATOM 1526 C GLN A 103 2.344 -1.568 -8.151 1.00 0.00 C ATOM 1527 O GLN A 103 1.942 -0.992 -9.161 1.00 0.00 O ATOM 1528 CB GLN A 103 4.046 -3.280 -8.880 1.00 0.00 C ATOM 1529 CG GLN A 103 4.765 -4.497 -8.292 1.00 0.00 C ATOM 1530 CD GLN A 103 5.797 -5.052 -9.276 1.00 0.00 C ATOM 1531 OE1 GLN A 103 5.987 -6.250 -9.405 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.450 -4.117 -9.960 1.00 0.00 N ATOM 0 H GLN A 103 1.965 -4.417 -9.611 1.00 0.00 H new ATOM 0 HA GLN A 103 2.782 -3.419 -7.170 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.895 -3.424 -9.950 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.669 -2.393 -8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.258 -4.218 -7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.037 -5.271 -8.048 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.241 -3.131 -9.803 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.159 -4.386 -10.642 1.00 0.00 H new ATOM 1541 N ILE A 104 2.507 -0.988 -6.971 1.00 0.00 N ATOM 1542 CA ILE A 104 2.211 0.422 -6.783 1.00 0.00 C ATOM 1543 C ILE A 104 3.450 1.250 -7.130 1.00 0.00 C ATOM 1544 O ILE A 104 4.564 0.728 -7.147 1.00 0.00 O ATOM 1545 CB ILE A 104 1.679 0.673 -5.371 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.797 -0.485 -4.902 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.951 2.017 -5.290 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.274 0.002 -3.924 1.00 0.00 C ATOM 0 H ILE A 104 2.840 -1.469 -6.136 1.00 0.00 H new ATOM 0 HA ILE A 104 1.417 0.738 -7.459 1.00 0.00 H new ATOM 0 HB ILE A 104 2.529 0.725 -4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.322 -0.956 -5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.414 -1.245 -4.423 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.583 2.171 -4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.640 2.820 -5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.111 2.018 -5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.887 -0.841 -3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.205 0.451 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.904 0.744 -4.414 1.00 0.00 H new ATOM 1560 N ARG A 105 3.214 2.526 -7.397 1.00 0.00 N ATOM 1561 CA ARG A 105 4.297 3.430 -7.743 1.00 0.00 C ATOM 1562 C ARG A 105 4.179 4.730 -6.943 1.00 0.00 C ATOM 1563 O ARG A 105 3.340 5.576 -7.248 1.00 0.00 O ATOM 1564 CB ARG A 105 4.287 3.756 -9.237 1.00 0.00 C ATOM 1565 CG ARG A 105 5.701 3.703 -9.820 1.00 0.00 C ATOM 1566 CD ARG A 105 5.691 3.104 -11.228 1.00 0.00 C ATOM 1567 NE ARG A 105 6.997 3.335 -11.885 1.00 0.00 N ATOM 1568 CZ ARG A 105 7.386 4.513 -12.390 1.00 0.00 C ATOM 1569 NH1 ARG A 105 6.572 5.575 -12.317 1.00 0.00 N ATOM 1570 NH2 ARG A 105 8.589 4.630 -12.969 1.00 0.00 N ATOM 0 H ARG A 105 2.289 2.955 -7.381 1.00 0.00 H new ATOM 0 HA ARG A 105 5.235 2.932 -7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.646 3.048 -9.763 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.862 4.748 -9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.123 4.707 -9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.343 3.107 -9.172 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.485 2.035 -11.176 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.893 3.554 -11.818 1.00 0.00 H new ATOM 0 HE ARG A 105 7.641 2.548 -11.958 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.656 5.486 -11.877 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.868 6.472 -12.702 1.00 0.00 H new ATOM 0 HH21 ARG A 105 9.209 3.822 -13.025 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.885 5.527 -13.353 1.00 0.00 H new ATOM 1584 N ILE A 106 5.031 4.847 -5.936 1.00 0.00 N ATOM 1585 CA ILE A 106 5.033 6.029 -5.091 1.00 0.00 C ATOM 1586 C ILE A 106 6.362 6.768 -5.257 1.00 0.00 C ATOM 1587 O ILE A 106 7.389 6.329 -4.743 1.00 0.00 O ATOM 1588 CB ILE A 106 4.716 5.652 -3.642 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.334 5.003 -3.534 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.855 6.863 -2.717 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.371 3.787 -2.607 1.00 0.00 C ATOM 0 H ILE A 106 5.725 4.143 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 106 4.245 6.717 -5.397 1.00 0.00 H new ATOM 0 HB ILE A 106 5.446 4.912 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.615 5.730 -3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.992 4.700 -4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.624 6.567 -1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.876 7.241 -2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.164 7.644 -3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.377 3.344 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.073 3.051 -3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.690 4.098 -1.612 1.00 0.00 H new ATOM 1603 N PRO A 107 6.297 7.908 -5.996 1.00 0.00 N ATOM 1604 CA PRO A 107 7.482 8.713 -6.237 1.00 0.00 C ATOM 1605 C PRO A 107 7.871 9.504 -4.987 1.00 0.00 C ATOM 1606 O PRO A 107 7.034 9.754 -4.121 1.00 0.00 O ATOM 1607 CB PRO A 107 7.122 9.603 -7.415 1.00 0.00 C ATOM 1608 CG PRO A 107 5.604 9.595 -7.493 1.00 0.00 C ATOM 1609 CD PRO A 107 5.097 8.459 -6.620 1.00 0.00 C ATOM 0 HA PRO A 107 8.360 8.109 -6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.501 10.615 -7.270 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.563 9.227 -8.338 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.199 10.548 -7.152 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.276 9.460 -8.524 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.391 8.819 -5.872 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.577 7.706 -7.212 1.00 0.00 H new ATOM 1617 N ARG A 108 9.141 9.878 -4.932 1.00 0.00 N ATOM 1618 CA ARG A 108 9.651 10.636 -3.802 1.00 0.00 C ATOM 1619 C ARG A 108 8.739 11.829 -3.509 1.00 0.00 C ATOM 1620 O ARG A 108 7.746 12.042 -4.204 1.00 0.00 O ATOM 1621 CB ARG A 108 11.069 11.142 -4.073 1.00 0.00 C ATOM 1622 CG ARG A 108 11.222 11.592 -5.528 1.00 0.00 C ATOM 1623 CD ARG A 108 12.253 10.732 -6.262 1.00 0.00 C ATOM 1624 NE ARG A 108 12.998 11.559 -7.238 1.00 0.00 N ATOM 1625 CZ ARG A 108 13.947 11.083 -8.056 1.00 0.00 C ATOM 1626 NH1 ARG A 108 14.272 9.783 -8.020 1.00 0.00 N ATOM 1627 NH2 ARG A 108 14.570 11.906 -8.909 1.00 0.00 N ATOM 0 H ARG A 108 9.832 9.670 -5.652 1.00 0.00 H new ATOM 0 HA ARG A 108 9.674 9.970 -2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.296 11.973 -3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 108 11.788 10.353 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.260 11.526 -6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.527 12.638 -5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.945 10.288 -5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.754 9.910 -6.775 1.00 0.00 H new ATOM 0 HE ARG A 108 12.775 12.553 -7.291 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.797 9.156 -7.370 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.994 9.420 -8.642 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.322 12.895 -8.936 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.292 11.544 -9.532 1.00 0.00 H new