USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 GLN : amide:sc= -0.319 K(o=-0.043,f=-3.6) USER MOD Set 1.2: A 79 SER OG : rot -65:sc= 0.276 USER MOD Single : A 20 GLN : amide:sc= -0.0185 K(o=-0.018,f=-0.93) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 47 GLN : amide:sc= -6.45! C(o=-6.5!,f=-7.4!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -41:sc= -6.65! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -3.21 K(o=-3.2,f=-8.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00246 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -2.27 K(o=-2.3,f=-7.5!) USER MOD Single : A 77 ASN : amide:sc= -0.982! X(o=-0.98!,f=-0.77) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.099 K(o=-0.099,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.149 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 203 N LEU A 17 -5.140 -6.183 -2.135 1.00 0.00 N ATOM 204 CA LEU A 17 -3.820 -5.684 -1.789 1.00 0.00 C ATOM 205 C LEU A 17 -3.831 -5.182 -0.344 1.00 0.00 C ATOM 206 O LEU A 17 -4.890 -4.877 0.203 1.00 0.00 O ATOM 207 CB LEU A 17 -3.361 -4.633 -2.802 1.00 0.00 C ATOM 208 CG LEU A 17 -3.284 -5.095 -4.259 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.049 -4.140 -5.178 1.00 0.00 C ATOM 210 CD2 LEU A 17 -1.830 -5.273 -4.700 1.00 0.00 C ATOM 0 HA LEU A 17 -3.084 -6.486 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.040 -3.783 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.376 -4.274 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.766 -6.070 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.978 -4.491 -6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.096 -4.106 -4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.618 -3.141 -5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.803 -5.602 -5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.302 -4.324 -4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.348 -6.020 -4.070 1.00 0.00 H new ATOM 222 N TRP A 18 -2.641 -5.111 0.234 1.00 0.00 N ATOM 223 CA TRP A 18 -2.501 -4.651 1.605 1.00 0.00 C ATOM 224 C TRP A 18 -1.018 -4.374 1.862 1.00 0.00 C ATOM 225 O TRP A 18 -0.155 -4.899 1.160 1.00 0.00 O ATOM 226 CB TRP A 18 -3.100 -5.661 2.586 1.00 0.00 C ATOM 227 CG TRP A 18 -2.629 -7.099 2.363 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.089 -7.989 1.473 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.580 -7.782 3.082 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.417 -9.191 1.566 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.470 -9.061 2.575 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.752 -7.334 4.126 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.544 -9.997 3.050 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.168 -8.281 4.590 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.292 -9.573 4.090 1.00 0.00 C ATOM 0 H TRP A 18 -1.765 -5.364 -0.222 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.059 -3.728 1.761 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.846 -5.360 3.602 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.187 -5.629 2.506 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.886 -7.791 0.771 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.585 -10.022 0.999 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.820 -6.338 4.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.478 -10.993 2.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.828 -7.988 5.393 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.030 -10.246 4.502 1.00 0.00 H new ATOM 246 N LEU A 19 -0.769 -3.551 2.869 1.00 0.00 N ATOM 247 CA LEU A 19 0.595 -3.198 3.227 1.00 0.00 C ATOM 248 C LEU A 19 1.059 -4.085 4.384 1.00 0.00 C ATOM 249 O LEU A 19 0.248 -4.527 5.196 1.00 0.00 O ATOM 250 CB LEU A 19 0.702 -1.700 3.519 1.00 0.00 C ATOM 251 CG LEU A 19 0.149 -0.765 2.442 1.00 0.00 C ATOM 252 CD1 LEU A 19 0.550 -1.242 1.044 1.00 0.00 C ATOM 253 CD2 LEU A 19 -1.366 -0.605 2.580 1.00 0.00 C ATOM 0 H LEU A 19 -1.488 -3.118 3.449 1.00 0.00 H new ATOM 0 HA LEU A 19 1.269 -3.385 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.180 -1.494 4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.752 -1.456 3.680 1.00 0.00 H new ATOM 0 HG LEU A 19 0.591 0.221 2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.144 -0.560 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.637 -1.263 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.155 -2.243 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.733 0.065 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.846 -1.578 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.600 -0.187 3.559 1.00 0.00 H new ATOM 265 N GLN A 20 2.363 -4.319 4.422 1.00 0.00 N ATOM 266 CA GLN A 20 2.945 -5.145 5.466 1.00 0.00 C ATOM 267 C GLN A 20 4.016 -4.362 6.227 1.00 0.00 C ATOM 268 O GLN A 20 5.085 -4.080 5.688 1.00 0.00 O ATOM 269 CB GLN A 20 3.520 -6.438 4.885 1.00 0.00 C ATOM 270 CG GLN A 20 3.797 -7.461 5.989 1.00 0.00 C ATOM 271 CD GLN A 20 4.651 -8.617 5.465 1.00 0.00 C ATOM 272 OE1 GLN A 20 5.520 -8.450 4.625 1.00 0.00 O ATOM 273 NE2 GLN A 20 4.356 -9.796 6.005 1.00 0.00 N ATOM 0 H GLN A 20 3.033 -3.951 3.746 1.00 0.00 H new ATOM 0 HA GLN A 20 2.157 -5.419 6.167 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.821 -6.858 4.162 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.442 -6.220 4.347 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.308 -6.975 6.820 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.854 -7.847 6.376 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.616 -9.866 6.704 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.870 -10.630 5.720 1.00 0.00 H new ATOM 349 N PRO A 27 -1.155 -3.681 12.257 1.00 0.00 N ATOM 350 CA PRO A 27 -1.781 -4.666 11.392 1.00 0.00 C ATOM 351 C PRO A 27 -1.791 -4.191 9.938 1.00 0.00 C ATOM 352 O PRO A 27 -1.633 -3.001 9.669 1.00 0.00 O ATOM 353 CB PRO A 27 -3.176 -4.863 11.962 1.00 0.00 C ATOM 354 CG PRO A 27 -3.442 -3.649 12.838 1.00 0.00 C ATOM 355 CD PRO A 27 -2.119 -2.937 13.064 1.00 0.00 C ATOM 0 HA PRO A 27 -1.238 -5.611 11.370 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.916 -4.940 11.166 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.235 -5.784 12.542 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.157 -2.981 12.358 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.879 -3.953 13.789 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.173 -1.893 12.754 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.841 -2.943 14.118 1.00 0.00 H new ATOM 363 N PRO A 28 -1.984 -5.170 9.014 1.00 0.00 N ATOM 364 CA PRO A 28 -2.017 -4.863 7.594 1.00 0.00 C ATOM 365 C PRO A 28 -3.337 -4.192 7.209 1.00 0.00 C ATOM 366 O PRO A 28 -4.410 -4.669 7.575 1.00 0.00 O ATOM 367 CB PRO A 28 -1.804 -6.198 6.898 1.00 0.00 C ATOM 368 CG PRO A 28 -2.123 -7.264 7.934 1.00 0.00 C ATOM 369 CD PRO A 28 -2.175 -6.590 9.296 1.00 0.00 C ATOM 0 HA PRO A 28 -1.248 -4.148 7.300 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.453 -6.293 6.028 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.778 -6.294 6.542 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.076 -7.743 7.708 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.363 -8.046 7.924 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.129 -6.771 9.791 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.396 -6.971 9.956 1.00 0.00 H new ATOM 377 N ILE A 29 -3.214 -3.096 6.475 1.00 0.00 N ATOM 378 CA ILE A 29 -4.384 -2.355 6.036 1.00 0.00 C ATOM 379 C ILE A 29 -4.710 -2.734 4.590 1.00 0.00 C ATOM 380 O ILE A 29 -3.897 -2.524 3.691 1.00 0.00 O ATOM 381 CB ILE A 29 -4.177 -0.853 6.246 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.145 -0.508 7.736 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.234 -0.043 5.492 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.707 -0.314 8.223 1.00 0.00 C ATOM 0 H ILE A 29 -2.322 -2.703 6.173 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.252 -2.622 6.639 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.207 -0.580 5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.719 0.401 7.915 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.622 -1.304 8.308 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.064 1.021 5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.166 -0.259 4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.226 -0.313 5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.712 -0.070 9.285 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.142 -1.233 8.065 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.241 0.499 7.666 1.00 0.00 H new ATOM 396 N PHE A 30 -5.901 -3.285 4.410 1.00 0.00 N ATOM 397 CA PHE A 30 -6.344 -3.696 3.089 1.00 0.00 C ATOM 398 C PHE A 30 -6.978 -2.525 2.335 1.00 0.00 C ATOM 399 O PHE A 30 -8.045 -2.043 2.713 1.00 0.00 O ATOM 400 CB PHE A 30 -7.397 -4.788 3.289 1.00 0.00 C ATOM 401 CG PHE A 30 -6.819 -6.140 3.710 1.00 0.00 C ATOM 402 CD1 PHE A 30 -6.624 -6.416 5.027 1.00 0.00 C ATOM 403 CD2 PHE A 30 -6.499 -7.066 2.766 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.087 -7.671 5.417 1.00 0.00 C ATOM 405 CE2 PHE A 30 -5.962 -8.321 3.157 1.00 0.00 C ATOM 406 CZ PHE A 30 -5.768 -8.598 4.474 1.00 0.00 C ATOM 0 H PHE A 30 -6.573 -3.457 5.158 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.495 -4.052 2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.109 -4.458 4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.954 -4.916 2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.878 -5.681 5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.653 -6.847 1.720 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.932 -7.890 6.463 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.707 -9.056 2.408 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.361 -9.553 4.771 1.00 0.00 H new ATOM 416 N LEU A 31 -6.294 -2.100 1.282 1.00 0.00 N ATOM 417 CA LEU A 31 -6.777 -0.995 0.472 1.00 0.00 C ATOM 418 C LEU A 31 -8.112 -1.382 -0.168 1.00 0.00 C ATOM 419 O LEU A 31 -8.452 -2.562 -0.238 1.00 0.00 O ATOM 420 CB LEU A 31 -5.712 -0.566 -0.539 1.00 0.00 C ATOM 421 CG LEU A 31 -4.258 -0.720 -0.087 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.308 0.007 -1.041 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.082 -0.257 1.361 1.00 0.00 C ATOM 0 H LEU A 31 -5.409 -2.501 0.972 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.963 -0.120 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.851 -1.145 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.883 0.479 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.000 -1.778 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.281 -0.118 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.409 -0.410 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.556 1.068 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.040 -0.377 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.364 0.792 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.716 -0.856 2.014 1.00 0.00 H new ATOM 435 N PRO A 32 -8.851 -0.339 -0.631 1.00 0.00 N ATOM 436 CA PRO A 32 -10.141 -0.559 -1.263 1.00 0.00 C ATOM 437 C PRO A 32 -9.971 -1.112 -2.680 1.00 0.00 C ATOM 438 O PRO A 32 -9.481 -0.415 -3.567 1.00 0.00 O ATOM 439 CB PRO A 32 -10.829 0.797 -1.234 1.00 0.00 C ATOM 440 CG PRO A 32 -9.727 1.819 -1.011 1.00 0.00 C ATOM 441 CD PRO A 32 -8.480 1.071 -0.566 1.00 0.00 C ATOM 0 HA PRO A 32 -10.741 -1.307 -0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.355 0.988 -2.169 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.570 0.842 -0.436 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.531 2.376 -1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.027 2.545 -0.255 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.634 1.288 -1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.186 1.357 0.444 1.00 0.00 H new ATOM 449 N SER A 33 -10.384 -2.359 -2.847 1.00 0.00 N ATOM 450 CA SER A 33 -10.284 -3.014 -4.140 1.00 0.00 C ATOM 451 C SER A 33 -11.210 -2.329 -5.147 1.00 0.00 C ATOM 452 O SER A 33 -10.946 -2.343 -6.348 1.00 0.00 O ATOM 453 CB SER A 33 -10.623 -4.502 -4.032 1.00 0.00 C ATOM 454 OG SER A 33 -10.030 -5.103 -2.884 1.00 0.00 O ATOM 0 H SER A 33 -10.789 -2.934 -2.108 1.00 0.00 H new ATOM 0 HA SER A 33 -9.254 -2.929 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.705 -4.625 -3.987 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.280 -5.018 -4.929 1.00 0.00 H new ATOM 0 HG SER A 33 -10.272 -6.052 -2.850 1.00 0.00 H new ATOM 460 N ASP A 34 -12.278 -1.747 -4.620 1.00 0.00 N ATOM 461 CA ASP A 34 -13.245 -1.059 -5.457 1.00 0.00 C ATOM 462 C ASP A 34 -12.506 -0.138 -6.431 1.00 0.00 C ATOM 463 O ASP A 34 -12.965 0.083 -7.551 1.00 0.00 O ATOM 464 CB ASP A 34 -14.188 -0.197 -4.615 1.00 0.00 C ATOM 465 CG ASP A 34 -15.448 0.280 -5.340 1.00 0.00 C ATOM 466 OD1 ASP A 34 -15.292 0.795 -6.469 1.00 0.00 O ATOM 467 OD2 ASP A 34 -16.538 0.120 -4.750 1.00 0.00 O ATOM 0 H ASP A 34 -12.494 -1.738 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.825 -1.812 -5.991 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.487 -0.766 -3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.639 0.675 -4.260 1.00 0.00 H new ATOM 472 N GLY A 35 -11.375 0.373 -5.969 1.00 0.00 N ATOM 473 CA GLY A 35 -10.569 1.265 -6.785 1.00 0.00 C ATOM 474 C GLY A 35 -10.337 2.600 -6.074 1.00 0.00 C ATOM 475 O GLY A 35 -9.566 3.434 -6.547 1.00 0.00 O ATOM 0 H GLY A 35 -10.997 0.187 -5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.611 0.795 -7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.066 1.439 -7.739 1.00 0.00 H new ATOM 479 N GLN A 36 -11.020 2.761 -4.950 1.00 0.00 N ATOM 480 CA GLN A 36 -10.898 3.981 -4.169 1.00 0.00 C ATOM 481 C GLN A 36 -9.429 4.263 -3.850 1.00 0.00 C ATOM 482 O GLN A 36 -8.550 3.481 -4.212 1.00 0.00 O ATOM 483 CB GLN A 36 -11.731 3.897 -2.889 1.00 0.00 C ATOM 484 CG GLN A 36 -13.077 4.603 -3.063 1.00 0.00 C ATOM 485 CD GLN A 36 -13.822 4.701 -1.730 1.00 0.00 C ATOM 486 OE1 GLN A 36 -14.087 5.775 -1.215 1.00 0.00 O ATOM 487 NE2 GLN A 36 -14.144 3.524 -1.202 1.00 0.00 N ATOM 0 H GLN A 36 -11.659 2.068 -4.561 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.285 4.809 -4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.896 2.852 -2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.182 4.351 -2.064 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.918 5.602 -3.469 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.686 4.059 -3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.892 2.662 -1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.643 3.483 -0.313 1.00 0.00 H new ATOM 496 N ALA A 37 -9.207 5.381 -3.175 1.00 0.00 N ATOM 497 CA ALA A 37 -7.859 5.775 -2.803 1.00 0.00 C ATOM 498 C ALA A 37 -7.786 5.958 -1.286 1.00 0.00 C ATOM 499 O ALA A 37 -8.520 6.766 -0.719 1.00 0.00 O ATOM 500 CB ALA A 37 -7.470 7.045 -3.563 1.00 0.00 C ATOM 0 H ALA A 37 -9.938 6.027 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.143 5.000 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.459 7.341 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.509 6.854 -4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.165 7.847 -3.312 1.00 0.00 H new ATOM 506 N LEU A 38 -6.894 5.195 -0.672 1.00 0.00 N ATOM 507 CA LEU A 38 -6.716 5.263 0.769 1.00 0.00 C ATOM 508 C LEU A 38 -5.633 6.292 1.096 1.00 0.00 C ATOM 509 O LEU A 38 -4.539 6.248 0.535 1.00 0.00 O ATOM 510 CB LEU A 38 -6.435 3.871 1.340 1.00 0.00 C ATOM 511 CG LEU A 38 -7.113 3.544 2.672 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.626 3.752 2.583 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.755 2.130 3.136 1.00 0.00 C ATOM 0 H LEU A 38 -6.287 4.526 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.633 5.601 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.746 3.129 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.358 3.762 1.467 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.737 4.236 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.083 3.513 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.836 4.791 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.038 3.101 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.250 1.922 4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.085 1.408 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.675 2.052 3.265 1.00 0.00 H new ATOM 525 N VAL A 39 -5.975 7.195 2.003 1.00 0.00 N ATOM 526 CA VAL A 39 -5.045 8.234 2.412 1.00 0.00 C ATOM 527 C VAL A 39 -4.328 7.796 3.691 1.00 0.00 C ATOM 528 O VAL A 39 -4.958 7.622 4.732 1.00 0.00 O ATOM 529 CB VAL A 39 -5.783 9.566 2.567 1.00 0.00 C ATOM 530 CG1 VAL A 39 -5.132 10.431 3.649 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.851 10.313 1.234 1.00 0.00 C ATOM 0 H VAL A 39 -6.883 7.229 2.466 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.283 8.387 1.648 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.804 9.349 2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.676 11.371 3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.160 9.903 4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.096 10.635 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.380 11.256 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.841 10.513 0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.381 9.703 0.502 1.00 0.00 H new ATOM 541 N LEU A 40 -3.019 7.631 3.570 1.00 0.00 N ATOM 542 CA LEU A 40 -2.209 7.216 4.703 1.00 0.00 C ATOM 543 C LEU A 40 -1.530 8.443 5.314 1.00 0.00 C ATOM 544 O LEU A 40 -1.527 9.518 4.717 1.00 0.00 O ATOM 545 CB LEU A 40 -1.231 6.115 4.288 1.00 0.00 C ATOM 546 CG LEU A 40 -1.760 4.682 4.370 1.00 0.00 C ATOM 547 CD1 LEU A 40 -2.503 4.447 5.687 1.00 0.00 C ATOM 548 CD2 LEU A 40 -2.628 4.347 3.155 1.00 0.00 C ATOM 0 H LEU A 40 -2.499 7.777 2.705 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.836 6.777 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.914 6.306 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.343 6.190 4.916 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.908 4.002 4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.869 3.421 5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.825 4.618 6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.345 5.135 5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.991 3.323 3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.476 5.030 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.036 4.449 2.246 1.00 0.00 H new ATOM 560 N GLY A 41 -0.970 8.241 6.498 1.00 0.00 N ATOM 561 CA GLY A 41 -0.290 9.318 7.198 1.00 0.00 C ATOM 562 C GLY A 41 -0.432 9.163 8.714 1.00 0.00 C ATOM 563 O GLY A 41 -0.639 8.058 9.212 1.00 0.00 O ATOM 0 H GLY A 41 -0.973 7.348 6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.766 9.323 6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.704 10.277 6.887 1.00 0.00 H new ATOM 567 N ARG A 42 -0.316 10.288 9.404 1.00 0.00 N ATOM 568 CA ARG A 42 -0.429 10.292 10.853 1.00 0.00 C ATOM 569 C ARG A 42 -1.787 9.731 11.280 1.00 0.00 C ATOM 570 O ARG A 42 -2.776 9.873 10.563 1.00 0.00 O ATOM 571 CB ARG A 42 -0.270 11.706 11.414 1.00 0.00 C ATOM 572 CG ARG A 42 1.080 11.868 12.116 1.00 0.00 C ATOM 573 CD ARG A 42 1.083 13.102 13.021 1.00 0.00 C ATOM 574 NE ARG A 42 0.067 12.950 14.086 1.00 0.00 N ATOM 575 CZ ARG A 42 -1.196 13.387 13.988 1.00 0.00 C ATOM 576 NH1 ARG A 42 -1.606 14.005 12.872 1.00 0.00 N ATOM 577 NH2 ARG A 42 -2.049 13.205 15.005 1.00 0.00 N ATOM 0 H ARG A 42 -0.145 11.203 8.987 1.00 0.00 H new ATOM 0 HA ARG A 42 0.369 9.664 11.250 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.354 12.433 10.606 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.077 11.915 12.116 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.295 10.978 12.708 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.872 11.956 11.373 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.070 13.236 13.464 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.874 13.995 12.433 1.00 0.00 H new ATOM 0 HE ARG A 42 0.346 12.483 14.949 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.957 14.143 12.097 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.567 14.338 12.797 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.737 12.734 15.854 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.010 13.538 14.930 1.00 0.00 H new ATOM 591 N GLY A 43 -1.792 9.104 12.448 1.00 0.00 N ATOM 592 CA GLY A 43 -3.012 8.522 12.980 1.00 0.00 C ATOM 593 C GLY A 43 -2.825 7.031 13.272 1.00 0.00 C ATOM 594 O GLY A 43 -1.708 6.520 13.220 1.00 0.00 O ATOM 0 H GLY A 43 -0.970 8.987 13.040 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.299 9.042 13.894 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.825 8.658 12.267 1.00 0.00 H new ATOM 598 N PRO A 44 -3.967 6.359 13.581 1.00 0.00 N ATOM 599 CA PRO A 44 -3.940 4.938 13.881 1.00 0.00 C ATOM 600 C PRO A 44 -3.757 4.111 12.607 1.00 0.00 C ATOM 601 O PRO A 44 -3.721 2.883 12.659 1.00 0.00 O ATOM 602 CB PRO A 44 -5.258 4.660 14.585 1.00 0.00 C ATOM 603 CG PRO A 44 -6.169 5.827 14.241 1.00 0.00 C ATOM 604 CD PRO A 44 -5.308 6.932 13.652 1.00 0.00 C ATOM 0 HA PRO A 44 -3.098 4.658 14.514 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.688 3.716 14.249 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.116 4.580 15.663 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.933 5.517 13.528 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.688 6.181 15.131 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.665 7.229 12.666 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.325 7.824 14.279 1.00 0.00 H new ATOM 612 N LEU A 45 -3.647 4.818 11.492 1.00 0.00 N ATOM 613 CA LEU A 45 -3.468 4.166 10.206 1.00 0.00 C ATOM 614 C LEU A 45 -2.184 3.334 10.235 1.00 0.00 C ATOM 615 O LEU A 45 -2.227 2.114 10.087 1.00 0.00 O ATOM 616 CB LEU A 45 -3.511 5.193 9.073 1.00 0.00 C ATOM 617 CG LEU A 45 -4.895 5.504 8.501 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.509 4.265 7.846 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.811 6.098 9.574 1.00 0.00 C ATOM 0 H LEU A 45 -3.678 5.837 11.453 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.290 3.477 10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.072 6.123 9.435 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.876 4.836 8.262 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.781 6.257 7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.493 4.514 7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.865 3.925 7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.608 3.473 8.588 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.789 6.310 9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.923 5.386 10.392 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.375 7.022 9.954 1.00 0.00 H new ATOM 631 N THR A 46 -1.072 4.029 10.425 1.00 0.00 N ATOM 632 CA THR A 46 0.222 3.370 10.475 1.00 0.00 C ATOM 633 C THR A 46 0.911 3.647 11.813 1.00 0.00 C ATOM 634 O THR A 46 2.126 3.501 11.932 1.00 0.00 O ATOM 635 CB THR A 46 1.036 3.833 9.265 1.00 0.00 C ATOM 636 OG1 THR A 46 1.074 5.252 9.396 1.00 0.00 O ATOM 637 CG2 THR A 46 0.302 3.600 7.943 1.00 0.00 C ATOM 0 H THR A 46 -1.040 5.041 10.546 1.00 0.00 H new ATOM 0 HA THR A 46 0.116 2.287 10.418 1.00 0.00 H new ATOM 0 HB THR A 46 1.991 3.309 9.247 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.584 5.636 8.653 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.923 3.946 7.116 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.098 2.536 7.823 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.638 4.152 7.946 1.00 0.00 H new ATOM 645 N GLN A 47 0.104 4.043 12.787 1.00 0.00 N ATOM 646 CA GLN A 47 0.620 4.342 14.111 1.00 0.00 C ATOM 647 C GLN A 47 1.701 5.422 14.028 1.00 0.00 C ATOM 648 O GLN A 47 2.528 5.549 14.930 1.00 0.00 O ATOM 649 CB GLN A 47 1.158 3.080 14.789 1.00 0.00 C ATOM 650 CG GLN A 47 0.013 2.196 15.287 1.00 0.00 C ATOM 651 CD GLN A 47 -1.174 2.241 14.323 1.00 0.00 C ATOM 652 OE1 GLN A 47 -2.248 2.726 14.643 1.00 0.00 O ATOM 653 NE2 GLN A 47 -0.923 1.712 13.129 1.00 0.00 N ATOM 0 H GLN A 47 -0.904 4.164 12.685 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.200 4.721 14.721 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.775 2.520 14.086 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.799 3.357 15.626 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.362 1.169 15.393 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.304 2.528 16.276 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.002 1.323 12.927 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.651 1.695 12.415 1.00 0.00 H new ATOM 662 N VAL A 48 1.659 6.173 12.937 1.00 0.00 N ATOM 663 CA VAL A 48 2.625 7.238 12.724 1.00 0.00 C ATOM 664 C VAL A 48 2.164 8.494 13.467 1.00 0.00 C ATOM 665 O VAL A 48 1.008 8.900 13.350 1.00 0.00 O ATOM 666 CB VAL A 48 2.826 7.470 11.226 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.645 8.738 10.972 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.480 6.254 10.566 1.00 0.00 C ATOM 0 H VAL A 48 0.971 6.065 12.191 1.00 0.00 H new ATOM 0 HA VAL A 48 3.598 6.959 13.129 1.00 0.00 H new ATOM 0 HB VAL A 48 1.844 7.609 10.774 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.773 8.879 9.899 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.123 9.598 11.392 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.622 8.641 11.444 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.612 6.445 9.501 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.452 6.070 11.025 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.843 5.380 10.702 1.00 0.00 H new ATOM 678 N THR A 49 3.091 9.075 14.214 1.00 0.00 N ATOM 679 CA THR A 49 2.794 10.276 14.975 1.00 0.00 C ATOM 680 C THR A 49 3.888 11.325 14.764 1.00 0.00 C ATOM 681 O THR A 49 4.146 12.144 15.645 1.00 0.00 O ATOM 682 CB THR A 49 2.612 9.875 16.441 1.00 0.00 C ATOM 683 OG1 THR A 49 3.835 9.224 16.777 1.00 0.00 O ATOM 684 CG2 THR A 49 1.550 8.789 16.622 1.00 0.00 C ATOM 0 H THR A 49 4.048 8.736 14.308 1.00 0.00 H new ATOM 0 HA THR A 49 1.870 10.742 14.633 1.00 0.00 H new ATOM 0 HB THR A 49 2.338 10.753 17.027 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.804 8.932 17.712 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.460 8.541 17.680 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.591 9.152 16.252 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.841 7.899 16.064 1.00 0.00 H new ATOM 692 N ASP A 50 4.501 11.266 13.591 1.00 0.00 N ATOM 693 CA ASP A 50 5.561 12.201 13.253 1.00 0.00 C ATOM 694 C ASP A 50 4.948 13.460 12.636 1.00 0.00 C ATOM 695 O ASP A 50 4.095 13.371 11.754 1.00 0.00 O ATOM 696 CB ASP A 50 6.524 11.595 12.231 1.00 0.00 C ATOM 697 CG ASP A 50 7.600 12.550 11.710 1.00 0.00 C ATOM 698 OD1 ASP A 50 7.641 13.691 12.219 1.00 0.00 O ATOM 699 OD2 ASP A 50 8.358 12.118 10.815 1.00 0.00 O ATOM 0 H ASP A 50 4.284 10.585 12.863 1.00 0.00 H new ATOM 0 HA ASP A 50 6.106 12.437 14.167 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.013 10.732 12.683 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.946 11.226 11.384 1.00 0.00 H new ATOM 704 N ARG A 51 5.406 14.603 13.125 1.00 0.00 N ATOM 705 CA ARG A 51 4.913 15.878 12.632 1.00 0.00 C ATOM 706 C ARG A 51 5.160 15.997 11.127 1.00 0.00 C ATOM 707 O ARG A 51 4.304 16.483 10.390 1.00 0.00 O ATOM 708 CB ARG A 51 5.595 17.046 13.348 1.00 0.00 C ATOM 709 CG ARG A 51 5.123 17.149 14.800 1.00 0.00 C ATOM 710 CD ARG A 51 5.966 18.159 15.580 1.00 0.00 C ATOM 711 NE ARG A 51 5.808 17.936 17.035 1.00 0.00 N ATOM 712 CZ ARG A 51 6.318 18.739 17.978 1.00 0.00 C ATOM 713 NH1 ARG A 51 7.023 19.823 17.626 1.00 0.00 N ATOM 714 NH2 ARG A 51 6.124 18.458 19.274 1.00 0.00 N ATOM 0 H ARG A 51 6.113 14.673 13.857 1.00 0.00 H new ATOM 0 HA ARG A 51 3.842 15.919 12.832 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.676 16.912 13.322 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.376 17.976 12.824 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.075 17.448 14.825 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.187 16.171 15.277 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.015 18.062 15.301 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.661 19.174 15.324 1.00 0.00 H new ATOM 0 HE ARG A 51 5.277 17.119 17.338 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.171 20.037 16.640 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.411 20.434 18.344 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.588 17.633 19.542 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.512 19.069 19.992 1.00 0.00 H new ATOM 728 N LYS A 52 6.336 15.546 10.715 1.00 0.00 N ATOM 729 CA LYS A 52 6.707 15.597 9.312 1.00 0.00 C ATOM 730 C LYS A 52 5.638 14.885 8.480 1.00 0.00 C ATOM 731 O LYS A 52 5.447 15.201 7.307 1.00 0.00 O ATOM 732 CB LYS A 52 8.117 15.037 9.110 1.00 0.00 C ATOM 733 CG LYS A 52 9.145 15.838 9.912 1.00 0.00 C ATOM 734 CD LYS A 52 10.281 16.328 9.012 1.00 0.00 C ATOM 735 CE LYS A 52 11.218 17.268 9.774 1.00 0.00 C ATOM 736 NZ LYS A 52 11.823 18.256 8.853 1.00 0.00 N ATOM 0 H LYS A 52 7.044 15.144 11.329 1.00 0.00 H new ATOM 0 HA LYS A 52 6.746 16.630 8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.145 13.992 9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.375 15.064 8.051 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.658 16.690 10.386 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.551 15.218 10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.844 15.475 8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.867 16.845 8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.665 17.785 10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.002 16.691 10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.456 18.886 9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.367 17.759 8.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.072 18.819 8.405 1.00 0.00 H new ATOM 750 N CYS A 53 4.970 13.937 9.121 1.00 0.00 N ATOM 751 CA CYS A 53 3.925 13.178 8.455 1.00 0.00 C ATOM 752 C CYS A 53 2.664 14.042 8.401 1.00 0.00 C ATOM 753 O CYS A 53 2.553 15.031 9.123 1.00 0.00 O ATOM 754 CB CYS A 53 3.670 11.838 9.148 1.00 0.00 C ATOM 755 SG CYS A 53 4.338 10.470 8.132 1.00 0.00 S ATOM 0 H CYS A 53 5.132 13.677 10.094 1.00 0.00 H new ATOM 0 HA CYS A 53 4.240 12.933 7.441 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.139 11.833 10.132 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.600 11.698 9.304 1.00 0.00 H new ATOM 0 HG CYS A 53 4.076 10.692 6.878 1.00 0.00 H new ATOM 761 N SER A 54 1.744 13.636 7.538 1.00 0.00 N ATOM 762 CA SER A 54 0.494 14.361 7.381 1.00 0.00 C ATOM 763 C SER A 54 -0.648 13.381 7.106 1.00 0.00 C ATOM 764 O SER A 54 -0.482 12.423 6.353 1.00 0.00 O ATOM 765 CB SER A 54 0.593 15.390 6.253 1.00 0.00 C ATOM 766 OG SER A 54 -0.092 16.599 6.572 1.00 0.00 O ATOM 0 H SER A 54 1.839 12.815 6.941 1.00 0.00 H new ATOM 0 HA SER A 54 0.290 14.896 8.308 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.642 15.609 6.053 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.176 14.967 5.339 1.00 0.00 H new ATOM 0 HG SER A 54 -0.004 17.231 5.828 1.00 0.00 H new ATOM 772 N ARG A 55 -1.783 13.654 7.732 1.00 0.00 N ATOM 773 CA ARG A 55 -2.953 12.809 7.565 1.00 0.00 C ATOM 774 C ARG A 55 -3.062 12.334 6.115 1.00 0.00 C ATOM 775 O ARG A 55 -3.456 11.198 5.857 1.00 0.00 O ATOM 776 CB ARG A 55 -4.232 13.556 7.947 1.00 0.00 C ATOM 777 CG ARG A 55 -4.758 13.085 9.304 1.00 0.00 C ATOM 778 CD ARG A 55 -6.283 13.196 9.371 1.00 0.00 C ATOM 779 NE ARG A 55 -6.673 14.565 9.776 1.00 0.00 N ATOM 780 CZ ARG A 55 -7.915 15.055 9.667 1.00 0.00 C ATOM 781 NH1 ARG A 55 -8.895 14.292 9.164 1.00 0.00 N ATOM 782 NH2 ARG A 55 -8.178 16.309 10.060 1.00 0.00 N ATOM 0 H ARG A 55 -1.917 14.449 8.356 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.837 11.949 8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.035 14.627 7.981 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.993 13.396 7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.457 12.051 9.475 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.311 13.683 10.098 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.716 12.958 8.400 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.678 12.471 10.083 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.951 15.173 10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.695 13.338 8.864 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.841 14.665 9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.432 16.891 10.442 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.124 16.682 9.977 1.00 0.00 H new ATOM 796 N ASN A 56 -2.705 13.228 5.205 1.00 0.00 N ATOM 797 CA ASN A 56 -2.757 12.915 3.787 1.00 0.00 C ATOM 798 C ASN A 56 -1.375 13.135 3.169 1.00 0.00 C ATOM 799 O ASN A 56 -1.204 14.003 2.314 1.00 0.00 O ATOM 800 CB ASN A 56 -3.750 13.823 3.058 1.00 0.00 C ATOM 801 CG ASN A 56 -5.082 13.892 3.808 1.00 0.00 C ATOM 802 OD1 ASN A 56 -5.136 14.013 5.021 1.00 0.00 O ATOM 803 ND2 ASN A 56 -6.151 13.809 3.021 1.00 0.00 N ATOM 0 H ASN A 56 -2.378 14.170 5.422 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.073 11.877 3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.330 14.824 2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.916 13.449 2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.086 13.846 3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.035 13.709 2.013 1.00 0.00 H new ATOM 810 N GLN A 57 -0.424 12.333 3.625 1.00 0.00 N ATOM 811 CA GLN A 57 0.938 12.429 3.128 1.00 0.00 C ATOM 812 C GLN A 57 1.024 11.874 1.705 1.00 0.00 C ATOM 813 O GLN A 57 1.755 12.406 0.871 1.00 0.00 O ATOM 814 CB GLN A 57 1.914 11.706 4.059 1.00 0.00 C ATOM 815 CG GLN A 57 3.310 11.630 3.437 1.00 0.00 C ATOM 816 CD GLN A 57 3.905 13.028 3.254 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.424 14.011 3.794 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.974 13.061 2.464 1.00 0.00 N ATOM 0 H GLN A 57 -0.570 11.614 4.333 1.00 0.00 H new ATOM 0 HA GLN A 57 1.222 13.481 3.104 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.965 12.228 5.014 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.548 10.700 4.265 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.964 11.033 4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.255 11.125 2.473 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.324 12.200 2.044 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.444 13.947 2.278 1.00 0.00 H new ATOM 827 N VAL A 58 0.267 10.812 1.472 1.00 0.00 N ATOM 828 CA VAL A 58 0.248 10.179 0.164 1.00 0.00 C ATOM 829 C VAL A 58 -1.123 9.543 -0.070 1.00 0.00 C ATOM 830 O VAL A 58 -1.890 9.347 0.872 1.00 0.00 O ATOM 831 CB VAL A 58 1.399 9.178 0.050 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.720 9.892 -0.246 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.510 8.324 1.315 1.00 0.00 C ATOM 0 H VAL A 58 -0.338 10.374 2.167 1.00 0.00 H new ATOM 0 HA VAL A 58 0.401 10.920 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 58 1.183 8.513 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.522 9.157 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.636 10.437 -1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.944 10.591 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.336 7.621 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.692 8.969 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.581 7.773 1.465 1.00 0.00 H new ATOM 843 N GLU A 59 -1.391 9.236 -1.331 1.00 0.00 N ATOM 844 CA GLU A 59 -2.656 8.626 -1.701 1.00 0.00 C ATOM 845 C GLU A 59 -2.418 7.255 -2.337 1.00 0.00 C ATOM 846 O GLU A 59 -1.896 7.163 -3.447 1.00 0.00 O ATOM 847 CB GLU A 59 -3.450 9.535 -2.641 1.00 0.00 C ATOM 848 CG GLU A 59 -4.948 9.235 -2.558 1.00 0.00 C ATOM 849 CD GLU A 59 -5.754 10.521 -2.358 1.00 0.00 C ATOM 850 OE1 GLU A 59 -5.424 11.511 -3.045 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.683 10.484 -1.522 1.00 0.00 O ATOM 0 H GLU A 59 -0.753 9.399 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.248 8.488 -0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.270 10.578 -2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.104 9.396 -3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.274 8.735 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.140 8.549 -1.733 1.00 0.00 H new ATOM 858 N LEU A 60 -2.812 6.222 -1.606 1.00 0.00 N ATOM 859 CA LEU A 60 -2.648 4.860 -2.084 1.00 0.00 C ATOM 860 C LEU A 60 -3.933 4.412 -2.784 1.00 0.00 C ATOM 861 O LEU A 60 -5.031 4.786 -2.374 1.00 0.00 O ATOM 862 CB LEU A 60 -2.217 3.939 -0.942 1.00 0.00 C ATOM 863 CG LEU A 60 -0.726 3.949 -0.598 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.468 4.709 0.704 1.00 0.00 C ATOM 865 CD2 LEU A 60 -0.165 2.526 -0.553 1.00 0.00 C ATOM 0 H LEU A 60 -3.245 6.302 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.848 4.809 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.777 4.214 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.504 2.919 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.196 4.479 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.599 4.701 0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.808 5.739 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.011 4.230 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.896 2.561 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.695 1.950 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.296 2.052 -1.526 1.00 0.00 H new ATOM 877 N ILE A 61 -3.754 3.617 -3.829 1.00 0.00 N ATOM 878 CA ILE A 61 -4.885 3.114 -4.590 1.00 0.00 C ATOM 879 C ILE A 61 -4.613 1.666 -5.003 1.00 0.00 C ATOM 880 O ILE A 61 -3.659 1.393 -5.731 1.00 0.00 O ATOM 881 CB ILE A 61 -5.194 4.041 -5.766 1.00 0.00 C ATOM 882 CG1 ILE A 61 -5.736 5.386 -5.277 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.143 3.368 -6.760 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.569 6.467 -6.347 1.00 0.00 C ATOM 0 H ILE A 61 -2.842 3.309 -4.167 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.785 3.107 -3.975 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.263 4.243 -6.295 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.790 5.285 -5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.212 5.684 -4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.347 4.049 -7.587 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.682 2.458 -7.144 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.077 3.117 -6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.962 7.412 -5.974 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.512 6.583 -6.585 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.114 6.177 -7.245 1.00 0.00 H new ATOM 896 N ALA A 62 -5.467 0.776 -4.520 1.00 0.00 N ATOM 897 CA ALA A 62 -5.331 -0.637 -4.830 1.00 0.00 C ATOM 898 C ALA A 62 -5.784 -0.885 -6.270 1.00 0.00 C ATOM 899 O ALA A 62 -6.867 -0.456 -6.666 1.00 0.00 O ATOM 900 CB ALA A 62 -6.128 -1.461 -3.817 1.00 0.00 C ATOM 0 H ALA A 62 -6.256 1.006 -3.916 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.289 -0.948 -4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.026 -2.521 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.747 -1.271 -2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.180 -1.179 -3.865 1.00 0.00 H new ATOM 906 N ASP A 63 -4.933 -1.576 -7.014 1.00 0.00 N ATOM 907 CA ASP A 63 -5.233 -1.886 -8.402 1.00 0.00 C ATOM 908 C ASP A 63 -5.071 -3.390 -8.630 1.00 0.00 C ATOM 909 O ASP A 63 -4.008 -3.847 -9.047 1.00 0.00 O ATOM 910 CB ASP A 63 -4.276 -1.158 -9.348 1.00 0.00 C ATOM 911 CG ASP A 63 -4.083 0.330 -9.053 1.00 0.00 C ATOM 912 OD1 ASP A 63 -5.036 0.930 -8.511 1.00 0.00 O ATOM 913 OD2 ASP A 63 -2.986 0.835 -9.376 1.00 0.00 O ATOM 0 H ASP A 63 -4.036 -1.930 -6.682 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.255 -1.566 -8.606 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.304 -1.650 -9.307 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.645 -1.266 -10.368 1.00 0.00 H new ATOM 918 N PRO A 64 -6.170 -4.137 -8.340 1.00 0.00 N ATOM 919 CA PRO A 64 -6.160 -5.580 -8.509 1.00 0.00 C ATOM 920 C PRO A 64 -6.250 -5.959 -9.989 1.00 0.00 C ATOM 921 O PRO A 64 -6.267 -7.141 -10.331 1.00 0.00 O ATOM 922 CB PRO A 64 -7.341 -6.080 -7.695 1.00 0.00 C ATOM 923 CG PRO A 64 -8.240 -4.873 -7.480 1.00 0.00 C ATOM 924 CD PRO A 64 -7.446 -3.630 -7.844 1.00 0.00 C ATOM 0 HA PRO A 64 -5.233 -6.038 -8.163 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.871 -6.873 -8.223 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.011 -6.496 -6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.135 -4.949 -8.098 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.572 -4.824 -6.443 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.960 -3.040 -8.603 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.305 -2.982 -6.979 1.00 0.00 H new ATOM 932 N GLU A 65 -6.307 -4.934 -10.827 1.00 0.00 N ATOM 933 CA GLU A 65 -6.395 -5.145 -12.262 1.00 0.00 C ATOM 934 C GLU A 65 -5.062 -5.661 -12.806 1.00 0.00 C ATOM 935 O GLU A 65 -5.033 -6.602 -13.598 1.00 0.00 O ATOM 936 CB GLU A 65 -6.821 -3.863 -12.979 1.00 0.00 C ATOM 937 CG GLU A 65 -8.317 -3.883 -13.297 1.00 0.00 C ATOM 938 CD GLU A 65 -8.559 -3.757 -14.803 1.00 0.00 C ATOM 939 OE1 GLU A 65 -8.589 -2.601 -15.278 1.00 0.00 O ATOM 940 OE2 GLU A 65 -8.709 -4.819 -15.444 1.00 0.00 O ATOM 0 H GLU A 65 -6.294 -3.955 -10.540 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.158 -5.899 -12.452 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.590 -2.999 -12.355 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.251 -3.752 -13.901 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.758 -4.810 -12.930 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.814 -3.065 -12.775 1.00 0.00 H new ATOM 947 N SER A 66 -3.990 -5.023 -12.359 1.00 0.00 N ATOM 948 CA SER A 66 -2.657 -5.405 -12.791 1.00 0.00 C ATOM 949 C SER A 66 -1.725 -5.509 -11.583 1.00 0.00 C ATOM 950 O SER A 66 -0.522 -5.281 -11.701 1.00 0.00 O ATOM 951 CB SER A 66 -2.099 -4.406 -13.807 1.00 0.00 C ATOM 952 OG SER A 66 -2.034 -4.959 -15.119 1.00 0.00 O ATOM 0 H SER A 66 -4.018 -4.244 -11.702 1.00 0.00 H new ATOM 0 HA SER A 66 -2.722 -6.378 -13.277 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.725 -3.514 -13.820 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.103 -4.091 -13.496 1.00 0.00 H new ATOM 0 HG SER A 66 -1.674 -4.290 -15.738 1.00 0.00 H new ATOM 958 N ARG A 67 -2.315 -5.854 -10.448 1.00 0.00 N ATOM 959 CA ARG A 67 -1.553 -5.991 -9.219 1.00 0.00 C ATOM 960 C ARG A 67 -0.594 -4.810 -9.055 1.00 0.00 C ATOM 961 O ARG A 67 0.613 -5.001 -8.910 1.00 0.00 O ATOM 962 CB ARG A 67 -0.752 -7.294 -9.210 1.00 0.00 C ATOM 963 CG ARG A 67 -1.668 -8.502 -9.415 1.00 0.00 C ATOM 964 CD ARG A 67 -2.607 -8.687 -8.221 1.00 0.00 C ATOM 965 NE ARG A 67 -2.907 -10.124 -8.031 1.00 0.00 N ATOM 966 CZ ARG A 67 -3.847 -10.792 -8.713 1.00 0.00 C ATOM 967 NH1 ARG A 67 -4.585 -10.157 -9.633 1.00 0.00 N ATOM 968 NH2 ARG A 67 -4.050 -12.095 -8.474 1.00 0.00 N ATOM 0 H ARG A 67 -3.313 -6.043 -10.354 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.261 -6.007 -8.390 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.002 -7.267 -9.997 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.221 -7.392 -8.263 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.253 -8.369 -10.325 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.066 -9.400 -9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.147 -8.281 -7.320 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.531 -8.133 -8.385 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.364 -10.638 -7.337 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.431 -9.165 -9.814 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.301 -10.665 -10.152 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.489 -12.578 -7.773 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.766 -12.603 -8.993 1.00 0.00 H new ATOM 982 N THR A 68 -1.166 -3.616 -9.082 1.00 0.00 N ATOM 983 CA THR A 68 -0.377 -2.404 -8.939 1.00 0.00 C ATOM 984 C THR A 68 -1.047 -1.446 -7.952 1.00 0.00 C ATOM 985 O THR A 68 -2.135 -1.725 -7.451 1.00 0.00 O ATOM 986 CB THR A 68 -0.179 -1.801 -10.331 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.425 -2.021 -10.986 1.00 0.00 O ATOM 988 CG2 THR A 68 0.829 -2.589 -11.171 1.00 0.00 C ATOM 0 H THR A 68 -2.167 -3.461 -9.201 1.00 0.00 H new ATOM 0 HA THR A 68 0.606 -2.619 -8.520 1.00 0.00 H new ATOM 0 HB THR A 68 0.156 -0.768 -10.235 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.385 -1.659 -11.896 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.933 -2.120 -12.149 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.796 -2.596 -10.667 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.477 -3.613 -11.295 1.00 0.00 H new ATOM 996 N VAL A 69 -0.369 -0.335 -7.702 1.00 0.00 N ATOM 997 CA VAL A 69 -0.884 0.666 -6.783 1.00 0.00 C ATOM 998 C VAL A 69 -0.290 2.030 -7.137 1.00 0.00 C ATOM 999 O VAL A 69 0.896 2.133 -7.449 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.601 0.247 -5.339 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -1.087 1.312 -4.354 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -1.229 -1.114 -5.030 1.00 0.00 C ATOM 0 H VAL A 69 0.533 -0.106 -8.120 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.967 0.749 -6.876 1.00 0.00 H new ATOM 0 HB VAL A 69 0.479 0.152 -5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.874 0.989 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.573 2.252 -4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.161 1.454 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.013 -1.388 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.308 -1.057 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.814 -1.867 -5.700 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.140 3.045 -7.078 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.714 4.398 -7.388 1.00 0.00 C ATOM 1014 C ALA A 70 -0.479 5.166 -6.085 1.00 0.00 C ATOM 1015 O ALA A 70 -1.238 5.019 -5.129 1.00 0.00 O ATOM 1016 CB ALA A 70 -1.759 5.071 -8.281 1.00 0.00 C ATOM 0 H ALA A 70 -2.123 2.956 -6.820 1.00 0.00 H new ATOM 0 HA ALA A 70 0.227 4.387 -7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.439 6.087 -8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.867 4.504 -9.206 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.716 5.102 -7.761 1.00 0.00 H new ATOM 1022 N VAL A 71 0.576 5.967 -6.090 1.00 0.00 N ATOM 1023 CA VAL A 71 0.920 6.758 -4.921 1.00 0.00 C ATOM 1024 C VAL A 71 1.013 8.233 -5.317 1.00 0.00 C ATOM 1025 O VAL A 71 1.884 8.616 -6.097 1.00 0.00 O ATOM 1026 CB VAL A 71 2.209 6.226 -4.290 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.681 7.137 -3.155 1.00 0.00 C ATOM 1028 CG2 VAL A 71 2.026 4.788 -3.799 1.00 0.00 C ATOM 0 H VAL A 71 1.204 6.085 -6.885 1.00 0.00 H new ATOM 0 HA VAL A 71 0.143 6.674 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 71 2.981 6.222 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.598 6.736 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.870 8.137 -3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.911 7.188 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.956 4.434 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.233 4.757 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.758 4.148 -4.640 1.00 0.00 H new ATOM 1038 N LYS A 72 0.104 9.020 -4.761 1.00 0.00 N ATOM 1039 CA LYS A 72 0.073 10.445 -5.047 1.00 0.00 C ATOM 1040 C LYS A 72 0.379 11.224 -3.766 1.00 0.00 C ATOM 1041 O LYS A 72 -0.338 11.101 -2.774 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.256 10.831 -5.699 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.403 12.352 -5.784 1.00 0.00 C ATOM 1044 CD LYS A 72 -2.105 12.763 -7.080 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.436 13.457 -6.786 1.00 0.00 C ATOM 1046 NZ LYS A 72 -3.820 14.340 -7.911 1.00 0.00 N ATOM 0 H LYS A 72 -0.616 8.699 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 72 0.845 10.706 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.314 10.400 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.082 10.414 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.971 12.715 -4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.420 12.819 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.460 13.432 -7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.279 11.883 -7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.213 12.711 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.354 14.041 -5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.726 14.803 -7.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.086 15.063 -8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.919 13.774 -8.778 1.00 0.00 H new ATOM 1060 N GLN A 73 1.444 12.009 -3.829 1.00 0.00 N ATOM 1061 CA GLN A 73 1.853 12.808 -2.687 1.00 0.00 C ATOM 1062 C GLN A 73 0.921 14.010 -2.518 1.00 0.00 C ATOM 1063 O GLN A 73 0.774 14.819 -3.432 1.00 0.00 O ATOM 1064 CB GLN A 73 3.309 13.259 -2.826 1.00 0.00 C ATOM 1065 CG GLN A 73 3.629 14.389 -1.845 1.00 0.00 C ATOM 1066 CD GLN A 73 5.141 14.565 -1.687 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.905 13.615 -1.679 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.527 15.832 -1.561 1.00 0.00 N ATOM 0 H GLN A 73 2.036 12.109 -4.653 1.00 0.00 H new ATOM 0 HA GLN A 73 1.782 12.189 -1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.974 12.415 -2.643 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.494 13.595 -3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.186 15.320 -2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.181 14.172 -0.875 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.834 16.580 -1.576 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.516 16.055 -1.449 1.00 0.00 H new ATOM 1077 N LEU A 74 0.315 14.088 -1.342 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.599 15.176 -1.042 1.00 0.00 C ATOM 1079 C LEU A 74 -0.071 15.964 0.159 1.00 0.00 C ATOM 1080 O LEU A 74 -0.693 16.932 0.593 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.021 14.645 -0.851 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.396 13.418 -1.684 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.189 12.410 -0.850 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -3.144 13.825 -2.955 1.00 0.00 C ATOM 0 H LEU A 74 0.440 13.415 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.653 15.870 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.158 14.400 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.721 15.447 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.476 12.924 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.443 11.548 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.586 12.085 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.104 12.878 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.399 12.934 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.057 14.356 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.510 14.475 -3.558 1.00 0.00 H new ATOM 1096 N GLY A 75 1.072 15.519 0.661 1.00 0.00 N ATOM 1097 CA GLY A 75 1.691 16.170 1.803 1.00 0.00 C ATOM 1098 C GLY A 75 2.706 17.222 1.351 1.00 0.00 C ATOM 1099 O GLY A 75 2.481 17.924 0.367 1.00 0.00 O ATOM 0 H GLY A 75 1.585 14.716 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.924 16.640 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.187 15.425 2.426 1.00 0.00 H new ATOM 1103 N VAL A 76 3.802 17.297 2.092 1.00 0.00 N ATOM 1104 CA VAL A 76 4.852 18.251 1.780 1.00 0.00 C ATOM 1105 C VAL A 76 6.173 17.504 1.587 1.00 0.00 C ATOM 1106 O VAL A 76 6.846 17.676 0.572 1.00 0.00 O ATOM 1107 CB VAL A 76 4.925 19.324 2.869 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.699 18.715 4.254 1.00 0.00 C ATOM 1109 CG2 VAL A 76 6.257 20.074 2.810 1.00 0.00 C ATOM 0 H VAL A 76 3.985 16.712 2.908 1.00 0.00 H new ATOM 0 HA VAL A 76 4.632 18.769 0.846 1.00 0.00 H new ATOM 0 HB VAL A 76 4.127 20.044 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.756 19.498 5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.715 18.247 4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.465 17.965 4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.283 20.831 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.077 19.371 2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.361 20.555 1.838 1.00 0.00 H new ATOM 1119 N ASN A 77 6.506 16.689 2.578 1.00 0.00 N ATOM 1120 CA ASN A 77 7.734 15.915 2.530 1.00 0.00 C ATOM 1121 C ASN A 77 7.704 14.994 1.309 1.00 0.00 C ATOM 1122 O ASN A 77 6.664 14.427 0.980 1.00 0.00 O ATOM 1123 CB ASN A 77 7.884 15.042 3.778 1.00 0.00 C ATOM 1124 CG ASN A 77 8.276 15.884 4.993 1.00 0.00 C ATOM 1125 OD1 ASN A 77 9.414 16.292 5.157 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.273 16.121 5.834 1.00 0.00 N ATOM 0 H ASN A 77 5.946 16.548 3.419 1.00 0.00 H new ATOM 0 HA ASN A 77 8.570 16.612 2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.946 14.523 3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.640 14.277 3.602 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.433 16.674 6.676 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.344 15.750 5.637 1.00 0.00 H new ATOM 1133 N PRO A 78 8.889 14.871 0.653 1.00 0.00 N ATOM 1134 CA PRO A 78 9.008 14.029 -0.525 1.00 0.00 C ATOM 1135 C PRO A 78 9.028 12.548 -0.140 1.00 0.00 C ATOM 1136 O PRO A 78 9.887 12.113 0.625 1.00 0.00 O ATOM 1137 CB PRO A 78 10.289 14.482 -1.205 1.00 0.00 C ATOM 1138 CG PRO A 78 11.079 15.236 -0.147 1.00 0.00 C ATOM 1139 CD PRO A 78 10.142 15.528 1.013 1.00 0.00 C ATOM 0 HA PRO A 78 8.158 14.128 -1.200 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.854 13.629 -1.581 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.072 15.122 -2.060 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.930 14.643 0.189 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.479 16.163 -0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.539 15.137 1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.002 16.600 1.148 1.00 0.00 H new ATOM 1147 N SER A 79 8.071 11.814 -0.689 1.00 0.00 N ATOM 1148 CA SER A 79 7.967 10.391 -0.413 1.00 0.00 C ATOM 1149 C SER A 79 8.764 9.598 -1.451 1.00 0.00 C ATOM 1150 O SER A 79 9.046 10.099 -2.538 1.00 0.00 O ATOM 1151 CB SER A 79 6.506 9.937 -0.404 1.00 0.00 C ATOM 1152 OG SER A 79 5.889 10.149 0.862 1.00 0.00 O ATOM 0 H SER A 79 7.361 12.178 -1.324 1.00 0.00 H new ATOM 0 HA SER A 79 8.383 10.203 0.577 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.953 10.479 -1.172 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.454 8.879 -0.660 1.00 0.00 H new ATOM 0 HG SER A 79 6.317 9.579 1.534 1.00 0.00 H new ATOM 1158 N THR A 80 9.104 8.372 -1.079 1.00 0.00 N ATOM 1159 CA THR A 80 9.862 7.505 -1.964 1.00 0.00 C ATOM 1160 C THR A 80 9.075 6.227 -2.261 1.00 0.00 C ATOM 1161 O THR A 80 8.794 5.442 -1.357 1.00 0.00 O ATOM 1162 CB THR A 80 11.224 7.243 -1.316 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.885 8.504 -1.376 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.105 6.319 -2.160 1.00 0.00 C ATOM 0 H THR A 80 8.868 7.959 -0.177 1.00 0.00 H new ATOM 0 HA THR A 80 10.031 7.978 -2.932 1.00 0.00 H new ATOM 0 HB THR A 80 11.079 6.804 -0.329 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.776 8.426 -0.975 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.059 6.166 -1.656 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.605 5.359 -2.291 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.279 6.773 -3.135 1.00 0.00 H new ATOM 1172 N VAL A 81 8.741 6.058 -3.532 1.00 0.00 N ATOM 1173 CA VAL A 81 7.991 4.889 -3.960 1.00 0.00 C ATOM 1174 C VAL A 81 8.964 3.824 -4.470 1.00 0.00 C ATOM 1175 O VAL A 81 9.149 3.675 -5.677 1.00 0.00 O ATOM 1176 CB VAL A 81 6.944 5.291 -5.001 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.427 4.066 -5.758 1.00 0.00 C ATOM 1178 CG2 VAL A 81 5.793 6.061 -4.351 1.00 0.00 C ATOM 0 H VAL A 81 8.976 6.711 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 81 7.446 4.456 -3.121 1.00 0.00 H new ATOM 0 HB VAL A 81 7.424 5.953 -5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.684 4.379 -6.492 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.257 3.576 -6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.971 3.369 -5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.063 6.335 -5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.315 5.434 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.180 6.964 -3.878 1.00 0.00 H new ATOM 1188 N GLY A 82 9.560 3.111 -3.526 1.00 0.00 N ATOM 1189 CA GLY A 82 10.509 2.064 -3.865 1.00 0.00 C ATOM 1190 C GLY A 82 11.948 2.567 -3.739 1.00 0.00 C ATOM 1191 O GLY A 82 12.509 2.587 -2.645 1.00 0.00 O ATOM 0 H GLY A 82 9.404 3.238 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.361 1.207 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.328 1.720 -4.883 1.00 0.00 H new ATOM 1195 N VAL A 83 12.505 2.961 -4.875 1.00 0.00 N ATOM 1196 CA VAL A 83 13.868 3.463 -4.906 1.00 0.00 C ATOM 1197 C VAL A 83 13.899 4.797 -5.655 1.00 0.00 C ATOM 1198 O VAL A 83 14.958 5.240 -6.098 1.00 0.00 O ATOM 1199 CB VAL A 83 14.798 2.413 -5.517 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.544 2.262 -7.018 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.264 2.752 -5.241 1.00 0.00 C ATOM 0 H VAL A 83 12.037 2.943 -5.781 1.00 0.00 H new ATOM 0 HA VAL A 83 14.229 3.650 -3.895 1.00 0.00 H new ATOM 0 HB VAL A 83 14.580 1.456 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.218 1.510 -7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.512 1.953 -7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.721 3.216 -7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 83 16.904 1.990 -5.686 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.501 3.723 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.433 2.785 -4.165 1.00 0.00 H new ATOM 1211 N GLN A 84 12.725 5.400 -5.773 1.00 0.00 N ATOM 1212 CA GLN A 84 12.605 6.675 -6.460 1.00 0.00 C ATOM 1213 C GLN A 84 11.936 7.707 -5.550 1.00 0.00 C ATOM 1214 O GLN A 84 10.989 7.387 -4.833 1.00 0.00 O ATOM 1215 CB GLN A 84 11.834 6.519 -7.773 1.00 0.00 C ATOM 1216 CG GLN A 84 11.464 7.884 -8.356 1.00 0.00 C ATOM 1217 CD GLN A 84 11.329 7.812 -9.878 1.00 0.00 C ATOM 1218 OE1 GLN A 84 12.071 7.125 -10.561 1.00 0.00 O ATOM 1219 NE2 GLN A 84 10.344 8.558 -10.370 1.00 0.00 N ATOM 0 H GLN A 84 11.849 5.030 -5.405 1.00 0.00 H new ATOM 0 HA GLN A 84 13.606 7.030 -6.705 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.439 5.965 -8.491 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.929 5.936 -7.601 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.526 8.227 -7.920 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.226 8.616 -8.089 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.760 9.110 -9.742 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.173 8.578 -11.375 1.00 0.00 H new ATOM 1228 N GLU A 85 12.454 8.925 -5.609 1.00 0.00 N ATOM 1229 CA GLU A 85 11.919 10.006 -4.800 1.00 0.00 C ATOM 1230 C GLU A 85 10.770 10.701 -5.534 1.00 0.00 C ATOM 1231 O GLU A 85 10.880 11.002 -6.722 1.00 0.00 O ATOM 1232 CB GLU A 85 13.015 11.006 -4.426 1.00 0.00 C ATOM 1233 CG GLU A 85 12.416 12.268 -3.802 1.00 0.00 C ATOM 1234 CD GLU A 85 13.491 13.336 -3.585 1.00 0.00 C ATOM 1235 OE1 GLU A 85 14.559 12.965 -3.051 1.00 0.00 O ATOM 1236 OE2 GLU A 85 13.220 14.497 -3.958 1.00 0.00 O ATOM 0 H GLU A 85 13.239 9.187 -6.205 1.00 0.00 H new ATOM 0 HA GLU A 85 11.529 9.582 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.710 10.544 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.588 11.272 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.633 12.662 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.947 12.020 -2.850 1.00 0.00 H new ATOM 1243 N LEU A 86 9.694 10.935 -4.797 1.00 0.00 N ATOM 1244 CA LEU A 86 8.527 11.588 -5.364 1.00 0.00 C ATOM 1245 C LEU A 86 8.594 13.088 -5.070 1.00 0.00 C ATOM 1246 O LEU A 86 9.605 13.582 -4.572 1.00 0.00 O ATOM 1247 CB LEU A 86 7.244 10.921 -4.863 1.00 0.00 C ATOM 1248 CG LEU A 86 6.834 9.633 -5.580 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.395 9.246 -5.234 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.048 9.754 -7.091 1.00 0.00 C ATOM 0 H LEU A 86 9.606 10.684 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 86 8.516 11.475 -6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.363 10.701 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.427 11.638 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 86 7.477 8.827 -5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.130 8.327 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.309 9.089 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.720 10.045 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.749 8.825 -7.576 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.447 10.576 -7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.101 9.947 -7.295 1.00 0.00 H new ATOM 1262 N LYS A 87 7.506 13.771 -5.392 1.00 0.00 N ATOM 1263 CA LYS A 87 7.429 15.205 -5.169 1.00 0.00 C ATOM 1264 C LYS A 87 6.006 15.575 -4.746 1.00 0.00 C ATOM 1265 O LYS A 87 5.108 14.734 -4.771 1.00 0.00 O ATOM 1266 CB LYS A 87 7.921 15.966 -6.401 1.00 0.00 C ATOM 1267 CG LYS A 87 9.285 16.608 -6.140 1.00 0.00 C ATOM 1268 CD LYS A 87 9.963 17.008 -7.452 1.00 0.00 C ATOM 1269 CE LYS A 87 9.707 18.482 -7.774 1.00 0.00 C ATOM 1270 NZ LYS A 87 10.944 19.127 -8.268 1.00 0.00 N ATOM 0 H LYS A 87 6.670 13.358 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 87 8.091 15.500 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.992 15.285 -7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.198 16.736 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.162 17.487 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.921 15.910 -5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.036 16.829 -7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.589 16.384 -8.264 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.922 18.565 -8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.351 18.999 -6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.753 20.127 -8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.683 19.064 -7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.267 18.644 -9.131 1.00 0.00 H new ATOM 1284 N PRO A 88 5.840 16.868 -4.356 1.00 0.00 N ATOM 1285 CA PRO A 88 4.541 17.360 -3.929 1.00 0.00 C ATOM 1286 C PRO A 88 3.611 17.564 -5.126 1.00 0.00 C ATOM 1287 O PRO A 88 3.861 18.421 -5.972 1.00 0.00 O ATOM 1288 CB PRO A 88 4.836 18.648 -3.179 1.00 0.00 C ATOM 1289 CG PRO A 88 6.231 19.072 -3.611 1.00 0.00 C ATOM 1290 CD PRO A 88 6.880 17.891 -4.314 1.00 0.00 C ATOM 0 HA PRO A 88 4.013 16.654 -3.288 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.102 19.417 -3.420 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.792 18.491 -2.101 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.179 19.932 -4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.823 19.374 -2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.211 18.160 -5.317 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.758 17.541 -3.771 1.00 0.00 H new ATOM 1298 N GLY A 89 2.556 16.762 -5.159 1.00 0.00 N ATOM 1299 CA GLY A 89 1.587 16.845 -6.238 1.00 0.00 C ATOM 1300 C GLY A 89 1.910 15.837 -7.343 1.00 0.00 C ATOM 1301 O GLY A 89 1.238 15.803 -8.373 1.00 0.00 O ATOM 0 H GLY A 89 2.352 16.052 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.587 16.655 -5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.582 17.854 -6.651 1.00 0.00 H new ATOM 1305 N LEU A 90 2.939 15.041 -7.092 1.00 0.00 N ATOM 1306 CA LEU A 90 3.360 14.035 -8.053 1.00 0.00 C ATOM 1307 C LEU A 90 2.543 12.760 -7.840 1.00 0.00 C ATOM 1308 O LEU A 90 1.678 12.710 -6.966 1.00 0.00 O ATOM 1309 CB LEU A 90 4.872 13.817 -7.973 1.00 0.00 C ATOM 1310 CG LEU A 90 5.577 13.513 -9.296 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.043 14.404 -10.419 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.095 13.626 -9.148 1.00 0.00 C ATOM 0 H LEU A 90 3.494 15.072 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 90 3.164 14.374 -9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.325 14.708 -7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.064 12.994 -7.284 1.00 0.00 H new ATOM 0 HG LEU A 90 5.357 12.481 -9.571 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.561 14.168 -11.349 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.974 14.230 -10.545 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.213 15.450 -10.165 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.571 13.405 -10.103 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.356 14.638 -8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.441 12.916 -8.397 1.00 0.00 H new ATOM 1324 N SER A 91 2.845 11.759 -8.654 1.00 0.00 N ATOM 1325 CA SER A 91 2.149 10.486 -8.566 1.00 0.00 C ATOM 1326 C SER A 91 2.985 9.386 -9.221 1.00 0.00 C ATOM 1327 O SER A 91 3.491 9.562 -10.328 1.00 0.00 O ATOM 1328 CB SER A 91 0.769 10.566 -9.222 1.00 0.00 C ATOM 1329 OG SER A 91 0.476 11.880 -9.690 1.00 0.00 O ATOM 0 H SER A 91 3.562 11.804 -9.378 1.00 0.00 H new ATOM 0 HA SER A 91 2.007 10.246 -7.512 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.723 9.865 -10.056 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.008 10.259 -8.505 1.00 0.00 H new ATOM 0 HG SER A 91 -0.412 11.889 -10.103 1.00 0.00 H new ATOM 1335 N GLY A 92 3.106 8.275 -8.509 1.00 0.00 N ATOM 1336 CA GLY A 92 3.873 7.146 -9.007 1.00 0.00 C ATOM 1337 C GLY A 92 3.086 5.842 -8.862 1.00 0.00 C ATOM 1338 O GLY A 92 1.890 5.863 -8.572 1.00 0.00 O ATOM 0 H GLY A 92 2.685 8.133 -7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.126 7.308 -10.055 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.813 7.071 -8.460 1.00 0.00 H new ATOM 1342 N SER A 93 3.788 4.738 -9.070 1.00 0.00 N ATOM 1343 CA SER A 93 3.171 3.427 -8.966 1.00 0.00 C ATOM 1344 C SER A 93 4.004 2.527 -8.052 1.00 0.00 C ATOM 1345 O SER A 93 5.217 2.700 -7.942 1.00 0.00 O ATOM 1346 CB SER A 93 3.011 2.782 -10.344 1.00 0.00 C ATOM 1347 OG SER A 93 4.221 2.178 -10.794 1.00 0.00 O ATOM 0 H SER A 93 4.779 4.725 -9.310 1.00 0.00 H new ATOM 0 HA SER A 93 2.177 3.551 -8.535 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.224 2.029 -10.303 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.693 3.537 -11.063 1.00 0.00 H new ATOM 0 HG SER A 93 4.078 1.776 -11.676 1.00 0.00 H new ATOM 1353 N LEU A 94 3.320 1.585 -7.419 1.00 0.00 N ATOM 1354 CA LEU A 94 3.983 0.657 -6.518 1.00 0.00 C ATOM 1355 C LEU A 94 3.672 -0.777 -6.950 1.00 0.00 C ATOM 1356 O LEU A 94 2.516 -1.199 -6.931 1.00 0.00 O ATOM 1357 CB LEU A 94 3.604 0.957 -5.066 1.00 0.00 C ATOM 1358 CG LEU A 94 4.742 1.433 -4.161 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.496 2.864 -3.677 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.958 0.464 -2.997 1.00 0.00 C ATOM 0 H LEU A 94 2.314 1.444 -7.512 1.00 0.00 H new ATOM 0 HA LEU A 94 5.065 0.780 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.823 1.717 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.172 0.056 -4.630 1.00 0.00 H new ATOM 0 HG LEU A 94 5.662 1.445 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.320 3.178 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.430 3.532 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.563 2.903 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.772 0.825 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.045 0.397 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.211 -0.522 -3.387 1.00 0.00 H new ATOM 1372 N SER A 95 4.724 -1.488 -7.331 1.00 0.00 N ATOM 1373 CA SER A 95 4.577 -2.866 -7.767 1.00 0.00 C ATOM 1374 C SER A 95 4.657 -3.808 -6.564 1.00 0.00 C ATOM 1375 O SER A 95 5.296 -3.488 -5.563 1.00 0.00 O ATOM 1376 CB SER A 95 5.645 -3.233 -8.800 1.00 0.00 C ATOM 1377 OG SER A 95 5.866 -2.181 -9.736 1.00 0.00 O ATOM 0 H SER A 95 5.681 -1.135 -7.347 1.00 0.00 H new ATOM 0 HA SER A 95 3.600 -2.973 -8.239 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.579 -3.466 -8.289 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.340 -4.134 -9.332 1.00 0.00 H new ATOM 0 HG SER A 95 6.555 -2.453 -10.377 1.00 0.00 H new ATOM 1383 N LEU A 96 3.999 -4.949 -6.702 1.00 0.00 N ATOM 1384 CA LEU A 96 3.988 -5.940 -5.639 1.00 0.00 C ATOM 1385 C LEU A 96 5.416 -6.158 -5.136 1.00 0.00 C ATOM 1386 O LEU A 96 6.246 -6.729 -5.841 1.00 0.00 O ATOM 1387 CB LEU A 96 3.298 -7.222 -6.108 1.00 0.00 C ATOM 1388 CG LEU A 96 1.989 -7.578 -5.401 1.00 0.00 C ATOM 1389 CD1 LEU A 96 1.345 -8.815 -6.028 1.00 0.00 C ATOM 1390 CD2 LEU A 96 2.208 -7.746 -3.896 1.00 0.00 C ATOM 0 H LEU A 96 3.469 -5.210 -7.534 1.00 0.00 H new ATOM 0 HA LEU A 96 3.403 -5.583 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.098 -7.133 -7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.993 -8.052 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 96 1.292 -6.751 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.416 -9.046 -5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.132 -8.621 -7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.027 -9.661 -5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.262 -7.999 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.929 -8.545 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.589 -6.814 -3.478 1.00 0.00 H new ATOM 1402 N GLY A 97 5.659 -5.692 -3.919 1.00 0.00 N ATOM 1403 CA GLY A 97 6.973 -5.829 -3.314 1.00 0.00 C ATOM 1404 C GLY A 97 7.623 -4.461 -3.098 1.00 0.00 C ATOM 1405 O GLY A 97 8.440 -4.293 -2.194 1.00 0.00 O ATOM 0 H GLY A 97 4.968 -5.219 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.885 -6.349 -2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.609 -6.441 -3.953 1.00 0.00 H new ATOM 1409 N ASP A 98 7.235 -3.517 -3.944 1.00 0.00 N ATOM 1410 CA ASP A 98 7.770 -2.169 -3.857 1.00 0.00 C ATOM 1411 C ASP A 98 7.469 -1.594 -2.472 1.00 0.00 C ATOM 1412 O ASP A 98 6.469 -1.950 -1.851 1.00 0.00 O ATOM 1413 CB ASP A 98 7.126 -1.253 -4.899 1.00 0.00 C ATOM 1414 CG ASP A 98 7.753 -1.318 -6.293 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.128 -2.440 -6.695 1.00 0.00 O ATOM 1416 OD2 ASP A 98 7.843 -0.243 -6.925 1.00 0.00 O ATOM 0 H ASP A 98 6.557 -3.659 -4.692 1.00 0.00 H new ATOM 0 HA ASP A 98 8.844 -2.220 -4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.069 -1.507 -4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.180 -0.225 -4.540 1.00 0.00 H new ATOM 1421 N VAL A 99 8.354 -0.713 -2.027 1.00 0.00 N ATOM 1422 CA VAL A 99 8.195 -0.085 -0.726 1.00 0.00 C ATOM 1423 C VAL A 99 7.623 1.322 -0.911 1.00 0.00 C ATOM 1424 O VAL A 99 7.676 1.879 -2.006 1.00 0.00 O ATOM 1425 CB VAL A 99 9.528 -0.095 0.025 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.382 0.544 1.408 1.00 0.00 C ATOM 1427 CG2 VAL A 99 10.086 -1.515 0.133 1.00 0.00 C ATOM 0 H VAL A 99 9.183 -0.420 -2.544 1.00 0.00 H new ATOM 0 HA VAL A 99 7.488 -0.645 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 99 10.239 0.501 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.343 0.524 1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.050 1.576 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.648 -0.013 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.034 -1.494 0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.377 -2.144 0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.245 -1.920 -0.866 1.00 0.00 H new ATOM 1437 N LEU A 100 7.089 1.856 0.178 1.00 0.00 N ATOM 1438 CA LEU A 100 6.508 3.188 0.150 1.00 0.00 C ATOM 1439 C LEU A 100 6.851 3.917 1.451 1.00 0.00 C ATOM 1440 O LEU A 100 6.059 3.921 2.392 1.00 0.00 O ATOM 1441 CB LEU A 100 5.006 3.111 -0.133 1.00 0.00 C ATOM 1442 CG LEU A 100 4.237 4.430 -0.039 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.894 5.510 -0.901 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.762 4.232 -0.394 1.00 0.00 C ATOM 0 H LEU A 100 7.046 1.391 1.085 1.00 0.00 H new ATOM 0 HA LEU A 100 6.934 3.772 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.866 2.702 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.561 2.403 0.566 1.00 0.00 H new ATOM 0 HG LEU A 100 4.276 4.775 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.328 6.438 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.916 5.676 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.907 5.187 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.239 5.185 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.681 3.852 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.314 3.517 0.296 1.00 0.00 H new ATOM 1456 N TYR A 101 8.033 4.515 1.462 1.00 0.00 N ATOM 1457 CA TYR A 101 8.491 5.246 2.631 1.00 0.00 C ATOM 1458 C TYR A 101 7.548 6.405 2.958 1.00 0.00 C ATOM 1459 O TYR A 101 7.624 7.465 2.338 1.00 0.00 O ATOM 1460 CB TYR A 101 9.866 5.809 2.265 1.00 0.00 C ATOM 1461 CG TYR A 101 10.932 4.740 2.022 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.544 4.119 3.092 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.283 4.396 0.732 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.548 3.113 2.863 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.287 3.389 0.503 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.870 2.798 1.580 1.00 0.00 C ATOM 1467 OH TYR A 101 13.818 1.847 1.364 1.00 0.00 O ATOM 0 H TYR A 101 8.688 4.508 0.680 1.00 0.00 H new ATOM 0 HA TYR A 101 8.526 4.592 3.503 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.769 6.421 1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.202 6.467 3.066 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.270 4.388 4.101 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.805 4.882 -0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 101 13.034 2.620 3.691 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.570 3.110 -0.501 1.00 0.00 H new ATOM 0 HH TYR A 101 13.945 1.724 0.400 1.00 0.00 H new ATOM 1477 N LEU A 102 6.681 6.165 3.930 1.00 0.00 N ATOM 1478 CA LEU A 102 5.724 7.176 4.346 1.00 0.00 C ATOM 1479 C LEU A 102 6.391 8.552 4.303 1.00 0.00 C ATOM 1480 O LEU A 102 5.923 9.451 3.607 1.00 0.00 O ATOM 1481 CB LEU A 102 5.131 6.822 5.712 1.00 0.00 C ATOM 1482 CG LEU A 102 3.604 6.744 5.780 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.150 5.401 6.354 1.00 0.00 C ATOM 1484 CD2 LEU A 102 3.029 7.926 6.563 1.00 0.00 C ATOM 0 H LEU A 102 6.621 5.285 4.442 1.00 0.00 H new ATOM 0 HA LEU A 102 4.880 7.209 3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.538 5.861 6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.470 7.563 6.436 1.00 0.00 H new ATOM 0 HG LEU A 102 3.212 6.810 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.061 5.371 6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.514 4.593 5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.551 5.281 7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.942 7.846 6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.425 7.917 7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.310 8.858 6.073 1.00 0.00 H new ATOM 1496 N VAL A 103 7.475 8.673 5.056 1.00 0.00 N ATOM 1497 CA VAL A 103 8.211 9.924 5.113 1.00 0.00 C ATOM 1498 C VAL A 103 9.596 9.669 5.711 1.00 0.00 C ATOM 1499 O VAL A 103 9.886 8.564 6.166 1.00 0.00 O ATOM 1500 CB VAL A 103 7.407 10.970 5.889 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.340 10.616 7.376 1.00 0.00 C ATOM 1502 CG2 VAL A 103 7.988 12.370 5.684 1.00 0.00 C ATOM 0 H VAL A 103 7.861 7.925 5.632 1.00 0.00 H new ATOM 0 HA VAL A 103 8.359 10.326 4.111 1.00 0.00 H new ATOM 0 HB VAL A 103 6.389 10.969 5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.763 11.375 7.905 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.860 9.645 7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.349 10.576 7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.398 13.094 6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.020 12.391 6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.961 12.624 4.624 1.00 0.00 H new ATOM 1512 N ASN A 104 10.414 10.711 5.692 1.00 0.00 N ATOM 1513 CA ASN A 104 11.762 10.614 6.227 1.00 0.00 C ATOM 1514 C ASN A 104 12.388 9.291 5.783 1.00 0.00 C ATOM 1515 O ASN A 104 13.137 8.670 6.537 1.00 0.00 O ATOM 1516 CB ASN A 104 11.750 10.641 7.757 1.00 0.00 C ATOM 1517 CG ASN A 104 12.616 11.784 8.291 1.00 0.00 C ATOM 1518 OD1 ASN A 104 13.826 11.676 8.413 1.00 0.00 O ATOM 1519 ND2 ASN A 104 11.933 12.881 8.602 1.00 0.00 N ATOM 0 H ASN A 104 10.170 11.627 5.315 1.00 0.00 H new ATOM 0 HA ASN A 104 12.335 11.464 5.855 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.727 10.757 8.114 1.00 0.00 H new ATOM 0 HB3 ASN A 104 12.117 9.690 8.144 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.421 13.699 8.967 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.921 12.905 8.476 1.00 0.00 H new ATOM 1526 N GLY A 105 12.059 8.897 4.562 1.00 0.00 N ATOM 1527 CA GLY A 105 12.580 7.659 4.008 1.00 0.00 C ATOM 1528 C GLY A 105 12.448 6.512 5.012 1.00 0.00 C ATOM 1529 O GLY A 105 13.172 5.521 4.926 1.00 0.00 O ATOM 0 H GLY A 105 11.437 9.414 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.042 7.411 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.627 7.790 3.736 1.00 0.00 H new ATOM 1533 N LEU A 106 11.519 6.684 5.940 1.00 0.00 N ATOM 1534 CA LEU A 106 11.283 5.675 6.959 1.00 0.00 C ATOM 1535 C LEU A 106 9.843 5.170 6.847 1.00 0.00 C ATOM 1536 O LEU A 106 9.139 5.498 5.893 1.00 0.00 O ATOM 1537 CB LEU A 106 11.637 6.220 8.344 1.00 0.00 C ATOM 1538 CG LEU A 106 13.130 6.336 8.658 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.354 6.885 10.068 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.841 4.998 8.444 1.00 0.00 C ATOM 0 H LEU A 106 10.920 7.507 6.008 1.00 0.00 H new ATOM 0 HA LEU A 106 11.936 4.816 6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.186 7.207 8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.177 5.577 9.094 1.00 0.00 H new ATOM 0 HG LEU A 106 13.570 7.050 7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.424 6.957 10.265 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.903 7.874 10.149 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.895 6.216 10.796 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.901 5.108 8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.404 4.245 9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.726 4.687 7.406 1.00 0.00 H new ATOM 1552 N TYR A 107 9.449 4.379 7.835 1.00 0.00 N ATOM 1553 CA TYR A 107 8.106 3.825 7.859 1.00 0.00 C ATOM 1554 C TYR A 107 7.691 3.333 6.471 1.00 0.00 C ATOM 1555 O TYR A 107 6.717 3.821 5.900 1.00 0.00 O ATOM 1556 CB TYR A 107 7.184 4.973 8.276 1.00 0.00 C ATOM 1557 CG TYR A 107 7.807 5.935 9.290 1.00 0.00 C ATOM 1558 CD1 TYR A 107 8.287 5.455 10.491 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.889 7.282 9.002 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.874 6.360 11.445 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.475 8.187 9.956 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.939 7.682 11.131 1.00 0.00 C ATOM 1563 OH TYR A 107 9.493 8.537 12.032 1.00 0.00 O ATOM 0 H TYR A 107 10.036 4.109 8.624 1.00 0.00 H new ATOM 0 HA TYR A 107 8.053 2.977 8.541 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.896 5.535 7.388 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.271 4.556 8.700 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.223 4.401 10.716 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.514 7.657 8.061 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.254 5.997 12.389 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.545 9.244 9.744 1.00 0.00 H new ATOM 0 HH TYR A 107 9.473 9.449 11.673 1.00 0.00 H new ATOM 1573 N PRO A 108 8.470 2.345 5.955 1.00 0.00 N ATOM 1574 CA PRO A 108 8.194 1.781 4.645 1.00 0.00 C ATOM 1575 C PRO A 108 6.984 0.846 4.695 1.00 0.00 C ATOM 1576 O PRO A 108 6.861 0.032 5.608 1.00 0.00 O ATOM 1577 CB PRO A 108 9.477 1.070 4.244 1.00 0.00 C ATOM 1578 CG PRO A 108 10.260 0.866 5.531 1.00 0.00 C ATOM 1579 CD PRO A 108 9.632 1.742 6.603 1.00 0.00 C ATOM 0 HA PRO A 108 7.927 2.539 3.909 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.261 0.116 3.763 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.047 1.665 3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.235 -0.182 5.831 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.307 1.131 5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.340 1.155 7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.330 2.503 6.952 1.00 0.00 H new ATOM 1587 N LEU A 109 6.120 0.995 3.701 1.00 0.00 N ATOM 1588 CA LEU A 109 4.923 0.175 3.620 1.00 0.00 C ATOM 1589 C LEU A 109 5.001 -0.711 2.375 1.00 0.00 C ATOM 1590 O LEU A 109 4.634 -0.284 1.282 1.00 0.00 O ATOM 1591 CB LEU A 109 3.669 1.050 3.675 1.00 0.00 C ATOM 1592 CG LEU A 109 3.290 1.592 5.055 1.00 0.00 C ATOM 1593 CD1 LEU A 109 3.102 0.453 6.059 1.00 0.00 C ATOM 1594 CD2 LEU A 109 4.313 2.622 5.539 1.00 0.00 C ATOM 0 H LEU A 109 6.225 1.672 2.945 1.00 0.00 H new ATOM 0 HA LEU A 109 4.857 -0.490 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.810 1.895 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.829 0.471 3.290 1.00 0.00 H new ATOM 0 HG LEU A 109 2.332 2.106 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.833 0.866 7.031 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.308 -0.209 5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.031 -0.110 6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.020 2.991 6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.296 2.155 5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.352 3.454 4.836 1.00 0.00 H new ATOM 1606 N THR A 110 5.481 -1.928 2.583 1.00 0.00 N ATOM 1607 CA THR A 110 5.611 -2.878 1.492 1.00 0.00 C ATOM 1608 C THR A 110 4.231 -3.301 0.985 1.00 0.00 C ATOM 1609 O THR A 110 3.329 -3.568 1.778 1.00 0.00 O ATOM 1610 CB THR A 110 6.463 -4.050 1.984 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.675 -3.439 2.419 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.900 -4.975 0.846 1.00 0.00 C ATOM 0 H THR A 110 5.785 -2.278 3.492 1.00 0.00 H new ATOM 0 HA THR A 110 6.114 -2.429 0.635 1.00 0.00 H new ATOM 0 HB THR A 110 5.901 -4.623 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.286 -4.127 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.502 -5.789 1.250 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.019 -5.385 0.352 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.491 -4.410 0.125 1.00 0.00 H new ATOM 1620 N LEU A 111 4.109 -3.350 -0.333 1.00 0.00 N ATOM 1621 CA LEU A 111 2.854 -3.736 -0.955 1.00 0.00 C ATOM 1622 C LEU A 111 2.780 -5.261 -1.040 1.00 0.00 C ATOM 1623 O LEU A 111 3.729 -5.909 -1.479 1.00 0.00 O ATOM 1624 CB LEU A 111 2.687 -3.036 -2.306 1.00 0.00 C ATOM 1625 CG LEU A 111 1.634 -3.629 -3.243 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.250 -3.615 -2.591 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.638 -2.913 -4.595 1.00 0.00 C ATOM 0 H LEU A 111 4.859 -3.129 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 111 2.011 -3.409 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.435 -1.992 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.648 -3.046 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 111 1.891 -4.672 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.480 -4.042 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.274 -4.204 -1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.031 -2.589 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.880 -3.354 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.418 -1.856 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.618 -3.019 -5.060 1.00 0.00 H new ATOM 1639 N ARG A 112 1.643 -5.792 -0.613 1.00 0.00 N ATOM 1640 CA ARG A 112 1.433 -7.229 -0.635 1.00 0.00 C ATOM 1641 C ARG A 112 0.065 -7.556 -1.236 1.00 0.00 C ATOM 1642 O ARG A 112 -0.780 -6.674 -1.382 1.00 0.00 O ATOM 1643 CB ARG A 112 1.518 -7.820 0.774 1.00 0.00 C ATOM 1644 CG ARG A 112 2.919 -7.637 1.362 1.00 0.00 C ATOM 1645 CD ARG A 112 3.929 -8.554 0.668 1.00 0.00 C ATOM 1646 NE ARG A 112 5.299 -8.237 1.129 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.366 -9.015 0.903 1.00 0.00 C ATOM 1648 NH1 ARG A 112 6.228 -10.161 0.221 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.571 -8.649 1.359 1.00 0.00 N ATOM 0 H ARG A 112 0.858 -5.252 -0.250 1.00 0.00 H new ATOM 0 HA ARG A 112 2.218 -7.669 -1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.783 -7.338 1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.268 -8.881 0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.230 -6.598 1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.900 -7.853 2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.695 -9.596 0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.862 -8.430 -0.413 1.00 0.00 H new ATOM 0 HE ARG A 112 5.440 -7.372 1.651 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.310 -10.441 -0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 112 7.041 -10.753 0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.677 -7.778 1.879 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.383 -9.242 1.187 1.00 0.00 H new ATOM 1663 N TRP A 113 -0.112 -8.827 -1.568 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.363 -9.281 -2.150 1.00 0.00 C ATOM 1665 C TRP A 113 -1.876 -10.455 -1.313 1.00 0.00 C ATOM 1666 O TRP A 113 -1.087 -11.248 -0.802 1.00 0.00 O ATOM 1667 CB TRP A 113 -1.185 -9.634 -3.628 1.00 0.00 C ATOM 1668 CG TRP A 113 -2.377 -10.372 -4.240 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -2.683 -11.673 -4.139 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.417 -9.795 -5.058 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -3.839 -11.975 -4.829 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -4.300 -10.798 -5.405 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.606 -8.471 -5.489 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -5.432 -10.580 -6.199 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.742 -8.270 -6.283 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.641 -9.268 -6.641 1.00 0.00 C ATOM 0 H TRP A 113 0.591 -9.556 -1.445 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.108 -8.486 -2.129 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.010 -8.717 -4.191 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.293 -10.251 -3.739 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -2.098 -12.394 -3.587 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.275 -12.894 -4.903 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.929 -7.671 -5.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -6.108 -11.381 -6.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -4.933 -7.270 -6.642 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.496 -9.033 -7.257 1.00 0.00 H new ATOM 1687 N SER A 114 -3.193 -10.528 -1.198 1.00 0.00 N ATOM 1688 CA SER A 114 -3.820 -11.591 -0.432 1.00 0.00 C ATOM 1689 C SER A 114 -4.110 -12.789 -1.339 1.00 0.00 C ATOM 1690 O SER A 114 -4.615 -12.624 -2.448 1.00 0.00 O ATOM 1691 CB SER A 114 -5.109 -11.105 0.233 1.00 0.00 C ATOM 1692 OG SER A 114 -5.664 -12.087 1.105 1.00 0.00 O ATOM 0 H SER A 114 -3.844 -9.868 -1.623 1.00 0.00 H new ATOM 0 HA SER A 114 -3.131 -11.897 0.355 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.905 -10.194 0.796 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.839 -10.848 -0.535 1.00 0.00 H new ATOM 0 HG SER A 114 -6.485 -11.738 1.511 1.00 0.00 H new