USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 710 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 17 HIS : no HD1:sc= -3.61 X(o=-6.3,f=-6.4!) USER MOD Set 1.2: A 107 GLN : amide:sc= -2.65 K(o=-6.3,f=-11!) USER MOD Set 2.1: A 25 SER OG : rot -150:sc= 0.0921 USER MOD Set 2.2: A 53 CYS SG : rot 90:sc= -6.23! USER MOD Set 2.3: A 62 HIS : no HD1:sc= -7! C(o=-13!,f=-8.7!) USER MOD Set 3.1: A 36 ASN : amide:sc= -6.31! C(o=-16!,f=-19!) USER MOD Set 3.2: A 56 HIS : no HD1:sc= -9.74! K(o=-16!,f=-14) USER MOD Single : A 27 GLN : amide:sc= -1.8 K(o=-1.8,f=-0.69) USER MOD Single : A 33 SER OG : rot 20:sc= -2.83! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= -0.683 (180deg=-4.15!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -120:sc= 0.489 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -6:sc= 0.605 USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= -0.0197 (180deg=-0.216) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 86 GLN : amide:sc= -1.55! C(o=-1.5!,f=-5.5!) USER MOD Single : A 90 HIS : no HD1:sc= -2.24 X(o=-2.2,f=-1.9) USER MOD Single : A 91 TYR OH : rot -130:sc= -0.589 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 156:sc= -0.554 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -30:sc= -14.7! USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 209 N TRP A 15 2.018 -7.170 -3.121 1.00 0.00 N ATOM 210 CA TRP A 15 1.982 -5.762 -2.745 1.00 0.00 C ATOM 211 C TRP A 15 1.118 -5.551 -1.496 1.00 0.00 C ATOM 212 O TRP A 15 0.891 -4.428 -1.066 1.00 0.00 O ATOM 213 CB TRP A 15 1.443 -4.907 -3.908 1.00 0.00 C ATOM 214 CG TRP A 15 0.244 -5.568 -4.579 1.00 0.00 C ATOM 215 CD1 TRP A 15 -0.586 -6.526 -4.004 1.00 0.00 C ATOM 216 CD2 TRP A 15 -0.250 -5.325 -5.900 1.00 0.00 C ATOM 217 NE1 TRP A 15 -1.561 -6.882 -4.891 1.00 0.00 N ATOM 218 CE2 TRP A 15 -1.393 -6.165 -6.079 1.00 0.00 C ATOM 219 CE3 TRP A 15 0.171 -4.486 -6.922 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -2.098 -6.151 -7.276 1.00 0.00 C ATOM 221 CZ3 TRP A 15 -0.541 -4.464 -8.149 1.00 0.00 C ATOM 222 CH2 TRP A 15 -1.676 -5.298 -8.326 1.00 0.00 C ATOM 0 HA TRP A 15 3.001 -5.449 -2.518 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.156 -3.924 -3.535 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.233 -4.752 -4.643 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -0.476 -6.927 -3.007 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -2.298 -7.565 -4.714 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.036 -3.854 -6.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -2.962 -6.786 -7.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.219 -3.813 -8.948 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.218 -5.282 -9.260 1.00 0.00 H new ATOM 233 N PHE A 16 0.655 -6.687 -0.935 1.00 0.00 N ATOM 234 CA PHE A 16 -0.163 -6.569 0.250 1.00 0.00 C ATOM 235 C PHE A 16 0.273 -7.569 1.315 1.00 0.00 C ATOM 236 O PHE A 16 -0.331 -8.619 1.499 1.00 0.00 O ATOM 237 CB PHE A 16 -1.612 -6.806 -0.122 1.00 0.00 C ATOM 238 CG PHE A 16 -2.496 -6.616 1.076 1.00 0.00 C ATOM 239 CD1 PHE A 16 -2.949 -5.325 1.442 1.00 0.00 C ATOM 240 CD2 PHE A 16 -2.855 -7.728 1.878 1.00 0.00 C ATOM 241 CE1 PHE A 16 -3.747 -5.148 2.597 1.00 0.00 C ATOM 242 CE2 PHE A 16 -3.652 -7.551 3.032 1.00 0.00 C ATOM 243 CZ PHE A 16 -4.098 -6.261 3.390 1.00 0.00 C ATOM 0 H PHE A 16 0.829 -7.634 -1.271 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.046 -5.567 0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.908 -6.118 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.733 -7.815 -0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.684 -4.471 0.836 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.517 -8.717 1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.088 -4.161 2.872 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.920 -8.403 3.640 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.708 -6.126 4.271 1.00 0.00 H new ATOM 253 N HIS A 17 1.353 -7.172 2.005 1.00 0.00 N ATOM 254 CA HIS A 17 1.832 -8.024 3.072 1.00 0.00 C ATOM 255 C HIS A 17 1.369 -7.428 4.394 1.00 0.00 C ATOM 256 O HIS A 17 1.735 -6.322 4.771 1.00 0.00 O ATOM 257 CB HIS A 17 3.352 -8.121 3.045 1.00 0.00 C ATOM 258 CG HIS A 17 3.770 -9.321 2.231 1.00 0.00 C ATOM 259 ND1 HIS A 17 4.649 -10.253 2.660 1.00 0.00 N ATOM 260 CD2 HIS A 17 3.348 -9.680 0.940 1.00 0.00 C ATOM 261 CE1 HIS A 17 4.764 -11.152 1.669 1.00 0.00 C ATOM 262 NE2 HIS A 17 3.988 -10.828 0.619 1.00 0.00 N ATOM 0 H HIS A 17 1.878 -6.312 1.847 1.00 0.00 H new ATOM 0 HA HIS A 17 1.434 -9.031 2.947 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.777 -7.213 2.617 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.739 -8.206 4.061 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.646 -9.142 0.321 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.399 -12.025 1.710 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.899 -11.349 -0.253 1.00 0.00 H new ATOM 353 N GLU A 23 11.068 -0.769 6.955 1.00 0.00 N ATOM 354 CA GLU A 23 12.351 -0.764 6.316 1.00 0.00 C ATOM 355 C GLU A 23 12.401 -1.971 5.396 1.00 0.00 C ATOM 356 O GLU A 23 12.805 -1.910 4.247 1.00 0.00 O ATOM 357 CB GLU A 23 13.407 -0.860 7.413 1.00 0.00 C ATOM 358 CG GLU A 23 13.834 -2.292 7.719 1.00 0.00 C ATOM 359 CD GLU A 23 15.038 -2.283 8.663 1.00 0.00 C ATOM 360 OE1 GLU A 23 15.557 -1.203 8.942 1.00 0.00 O ATOM 361 OE2 GLU A 23 15.442 -3.356 9.110 1.00 0.00 O ATOM 0 HA GLU A 23 12.529 0.138 5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.283 -0.283 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.018 -0.402 8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.008 -2.838 8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.089 -2.811 6.795 1.00 0.00 H new ATOM 368 N GLU A 24 11.952 -3.067 6.016 1.00 0.00 N ATOM 369 CA GLU A 24 11.892 -4.322 5.292 1.00 0.00 C ATOM 370 C GLU A 24 11.154 -4.127 3.958 1.00 0.00 C ATOM 371 O GLU A 24 11.450 -4.765 2.955 1.00 0.00 O ATOM 372 CB GLU A 24 11.168 -5.345 6.159 1.00 0.00 C ATOM 373 CG GLU A 24 11.891 -5.558 7.489 1.00 0.00 C ATOM 374 CD GLU A 24 13.126 -6.436 7.273 1.00 0.00 C ATOM 375 OE1 GLU A 24 12.963 -7.600 6.911 1.00 0.00 O ATOM 376 OE2 GLU A 24 14.237 -5.946 7.470 1.00 0.00 O ATOM 0 H GLU A 24 11.636 -3.104 6.985 1.00 0.00 H new ATOM 0 HA GLU A 24 12.899 -4.676 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.148 -5.009 6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.098 -6.293 5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.186 -4.597 7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.220 -6.029 8.207 1.00 0.00 H new ATOM 383 N SER A 25 10.181 -3.197 4.019 1.00 0.00 N ATOM 384 CA SER A 25 9.392 -2.924 2.826 1.00 0.00 C ATOM 385 C SER A 25 10.094 -1.912 1.905 1.00 0.00 C ATOM 386 O SER A 25 9.830 -1.848 0.711 1.00 0.00 O ATOM 387 CB SER A 25 8.028 -2.391 3.258 1.00 0.00 C ATOM 388 OG SER A 25 8.154 -1.117 3.837 1.00 0.00 O ATOM 0 H SER A 25 9.938 -2.650 4.845 1.00 0.00 H new ATOM 0 HA SER A 25 9.274 -3.847 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.362 -2.340 2.396 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.573 -3.077 3.972 1.00 0.00 H new ATOM 0 HG SER A 25 7.447 -0.989 4.503 1.00 0.00 H new ATOM 394 N GLU A 26 10.999 -1.132 2.529 1.00 0.00 N ATOM 395 CA GLU A 26 11.704 -0.130 1.773 1.00 0.00 C ATOM 396 C GLU A 26 13.012 -0.691 1.186 1.00 0.00 C ATOM 397 O GLU A 26 13.560 -0.161 0.226 1.00 0.00 O ATOM 398 CB GLU A 26 11.961 1.032 2.723 1.00 0.00 C ATOM 399 CG GLU A 26 13.313 1.681 2.478 1.00 0.00 C ATOM 400 CD GLU A 26 13.582 2.751 3.538 1.00 0.00 C ATOM 401 OE1 GLU A 26 12.790 2.863 4.473 1.00 0.00 O ATOM 402 OE2 GLU A 26 14.579 3.460 3.417 1.00 0.00 O ATOM 0 H GLU A 26 11.239 -1.187 3.519 1.00 0.00 H new ATOM 0 HA GLU A 26 11.115 0.201 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.175 1.777 2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.911 0.676 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.098 0.925 2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.336 2.128 1.484 1.00 0.00 H new ATOM 409 N GLN A 27 13.468 -1.791 1.813 1.00 0.00 N ATOM 410 CA GLN A 27 14.689 -2.407 1.317 1.00 0.00 C ATOM 411 C GLN A 27 14.295 -3.285 0.134 1.00 0.00 C ATOM 412 O GLN A 27 15.048 -3.497 -0.806 1.00 0.00 O ATOM 413 CB GLN A 27 15.380 -3.220 2.411 1.00 0.00 C ATOM 414 CG GLN A 27 14.383 -4.010 3.251 1.00 0.00 C ATOM 415 CD GLN A 27 14.778 -5.488 3.271 1.00 0.00 C ATOM 416 OE1 GLN A 27 15.089 -6.089 2.250 1.00 0.00 O ATOM 417 NE2 GLN A 27 14.744 -6.025 4.504 1.00 0.00 N ATOM 0 H GLN A 27 13.032 -2.243 2.617 1.00 0.00 H new ATOM 0 HA GLN A 27 15.406 -1.647 1.005 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.095 -3.906 1.956 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.948 -2.550 3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.358 -3.617 4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.379 -3.898 2.841 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.473 -5.452 5.303 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.989 -7.006 4.640 1.00 0.00 H new ATOM 426 N ILE A 28 13.049 -3.775 0.255 1.00 0.00 N ATOM 427 CA ILE A 28 12.513 -4.565 -0.798 1.00 0.00 C ATOM 428 C ILE A 28 12.368 -3.683 -2.027 1.00 0.00 C ATOM 429 O ILE A 28 12.620 -4.075 -3.159 1.00 0.00 O ATOM 430 CB ILE A 28 11.158 -5.045 -0.321 1.00 0.00 C ATOM 431 CG1 ILE A 28 11.279 -6.295 0.531 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.234 -5.305 -1.491 1.00 0.00 C ATOM 433 CD1 ILE A 28 10.059 -6.445 1.435 1.00 0.00 C ATOM 0 H ILE A 28 12.433 -3.629 1.055 1.00 0.00 H new ATOM 0 HA ILE A 28 13.148 -5.413 -1.054 1.00 0.00 H new ATOM 0 HB ILE A 28 10.733 -4.252 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.374 -7.171 -0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.184 -6.243 1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.268 -5.649 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.099 -4.385 -2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.669 -6.069 -2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.162 -7.346 2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.982 -5.577 2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.160 -6.519 0.823 1.00 0.00 H new ATOM 445 N VAL A 29 11.909 -2.470 -1.716 1.00 0.00 N ATOM 446 CA VAL A 29 11.759 -1.503 -2.773 1.00 0.00 C ATOM 447 C VAL A 29 13.120 -1.205 -3.380 1.00 0.00 C ATOM 448 O VAL A 29 13.246 -0.839 -4.541 1.00 0.00 O ATOM 449 CB VAL A 29 11.155 -0.234 -2.167 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.720 1.017 -2.834 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.627 -0.241 -2.252 1.00 0.00 C ATOM 0 H VAL A 29 11.648 -2.155 -0.782 1.00 0.00 H new ATOM 0 HA VAL A 29 11.108 -1.884 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 29 11.432 -0.217 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.273 1.903 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.801 1.046 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.490 0.997 -3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.234 0.676 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.321 -0.302 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.236 -1.101 -1.708 1.00 0.00 H new ATOM 461 N LEU A 30 14.120 -1.378 -2.518 1.00 0.00 N ATOM 462 CA LEU A 30 15.450 -1.144 -2.956 1.00 0.00 C ATOM 463 C LEU A 30 15.761 -2.128 -4.080 1.00 0.00 C ATOM 464 O LEU A 30 16.465 -1.832 -5.038 1.00 0.00 O ATOM 465 CB LEU A 30 16.328 -1.368 -1.732 1.00 0.00 C ATOM 466 CG LEU A 30 17.165 -2.636 -1.819 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.433 -2.395 -2.621 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.504 -3.140 -0.432 1.00 0.00 C ATOM 0 H LEU A 30 14.018 -1.671 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 30 15.614 -0.141 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.990 -0.511 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.697 -1.417 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 30 16.578 -3.397 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 30 19.014 -3.316 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.170 -2.079 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.025 -1.617 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.103 -4.047 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.069 -2.378 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.584 -3.358 0.111 1.00 0.00 H new ATOM 480 N ILE A 31 15.169 -3.322 -3.877 1.00 0.00 N ATOM 481 CA ILE A 31 15.360 -4.364 -4.838 1.00 0.00 C ATOM 482 C ILE A 31 14.796 -3.920 -6.155 1.00 0.00 C ATOM 483 O ILE A 31 15.480 -3.724 -7.152 1.00 0.00 O ATOM 484 CB ILE A 31 14.593 -5.620 -4.430 1.00 0.00 C ATOM 485 CG1 ILE A 31 14.417 -5.762 -2.932 1.00 0.00 C ATOM 486 CG2 ILE A 31 15.266 -6.825 -5.002 1.00 0.00 C ATOM 487 CD1 ILE A 31 15.433 -6.728 -2.321 1.00 0.00 C ATOM 0 H ILE A 31 14.580 -3.560 -3.079 1.00 0.00 H new ATOM 0 HA ILE A 31 16.427 -4.577 -4.902 1.00 0.00 H new ATOM 0 HB ILE A 31 13.586 -5.526 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.519 -4.784 -2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.408 -6.115 -2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 31 14.718 -7.721 -4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.285 -6.749 -6.089 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.287 -6.885 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.268 -6.798 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.314 -7.714 -2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 31 16.442 -6.362 -2.510 1.00 0.00 H new ATOM 499 N GLY A 32 13.473 -3.785 -6.058 1.00 0.00 N ATOM 500 CA GLY A 32 12.728 -3.430 -7.237 1.00 0.00 C ATOM 501 C GLY A 32 12.591 -1.917 -7.419 1.00 0.00 C ATOM 502 O GLY A 32 13.309 -1.124 -6.827 1.00 0.00 O ATOM 0 H GLY A 32 12.925 -3.912 -5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.219 -3.854 -8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.735 -3.876 -7.182 1.00 0.00 H new ATOM 506 N SER A 33 11.625 -1.593 -8.300 1.00 0.00 N ATOM 507 CA SER A 33 11.370 -0.193 -8.600 1.00 0.00 C ATOM 508 C SER A 33 12.413 0.307 -9.602 1.00 0.00 C ATOM 509 O SER A 33 12.605 -0.286 -10.654 1.00 0.00 O ATOM 510 CB SER A 33 11.374 0.628 -7.309 1.00 0.00 C ATOM 511 OG SER A 33 10.789 1.887 -7.521 1.00 0.00 O ATOM 0 H SER A 33 11.034 -2.262 -8.794 1.00 0.00 H new ATOM 0 HA SER A 33 10.385 -0.079 -9.053 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.829 0.094 -6.531 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.397 0.752 -6.954 1.00 0.00 H new ATOM 0 HG SER A 33 10.233 1.858 -8.327 1.00 0.00 H new ATOM 517 N LYS A 34 13.055 1.433 -9.220 1.00 0.00 N ATOM 518 CA LYS A 34 14.070 1.996 -10.106 1.00 0.00 C ATOM 519 C LYS A 34 13.418 2.727 -11.269 1.00 0.00 C ATOM 520 O LYS A 34 13.863 3.778 -11.712 1.00 0.00 O ATOM 521 CB LYS A 34 14.941 0.876 -10.667 1.00 0.00 C ATOM 522 CG LYS A 34 15.376 -0.093 -9.574 1.00 0.00 C ATOM 523 CD LYS A 34 16.825 -0.542 -9.764 1.00 0.00 C ATOM 524 CE LYS A 34 17.292 -1.439 -8.616 1.00 0.00 C ATOM 525 NZ LYS A 34 18.675 -1.870 -8.777 1.00 0.00 N ATOM 0 H LYS A 34 12.894 1.940 -8.350 1.00 0.00 H new ATOM 0 HA LYS A 34 14.676 2.696 -9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.390 0.335 -11.436 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.821 1.304 -11.147 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.267 0.384 -8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.721 -0.964 -9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.919 -1.079 -10.708 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.472 0.333 -9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.189 -0.902 -7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.646 -2.315 -8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.946 -2.475 -7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.771 -2.406 -9.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.297 -1.037 -8.807 1.00 0.00 H new ATOM 539 N THR A 35 12.336 2.090 -11.728 1.00 0.00 N ATOM 540 CA THR A 35 11.641 2.617 -12.864 1.00 0.00 C ATOM 541 C THR A 35 10.554 3.625 -12.485 1.00 0.00 C ATOM 542 O THR A 35 9.876 4.198 -13.329 1.00 0.00 O ATOM 543 CB THR A 35 11.046 1.428 -13.569 1.00 0.00 C ATOM 544 OG1 THR A 35 10.784 0.405 -12.636 1.00 0.00 O ATOM 545 CG2 THR A 35 11.984 0.908 -14.653 1.00 0.00 C ATOM 0 H THR A 35 11.946 1.235 -11.332 1.00 0.00 H new ATOM 0 HA THR A 35 12.331 3.172 -13.500 1.00 0.00 H new ATOM 0 HB THR A 35 10.115 1.741 -14.043 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.395 -0.367 -13.098 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.529 0.049 -15.146 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.164 1.694 -15.386 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.930 0.609 -14.202 1.00 0.00 H new ATOM 553 N ASN A 36 10.442 3.772 -11.176 1.00 0.00 N ATOM 554 CA ASN A 36 9.473 4.703 -10.631 1.00 0.00 C ATOM 555 C ASN A 36 8.062 4.205 -10.922 1.00 0.00 C ATOM 556 O ASN A 36 7.577 4.234 -12.046 1.00 0.00 O ATOM 557 CB ASN A 36 9.701 6.088 -11.231 1.00 0.00 C ATOM 558 CG ASN A 36 8.606 7.047 -10.762 1.00 0.00 C ATOM 559 OD1 ASN A 36 7.728 6.696 -9.984 1.00 0.00 O ATOM 560 ND2 ASN A 36 8.723 8.277 -11.294 1.00 0.00 N ATOM 0 H ASN A 36 10.998 3.269 -10.484 1.00 0.00 H new ATOM 0 HA ASN A 36 9.595 4.772 -9.550 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.679 6.466 -10.933 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.701 6.027 -12.319 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.047 9.002 -11.055 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.488 8.484 -11.936 1.00 0.00 H new ATOM 567 N GLY A 37 7.449 3.747 -9.820 1.00 0.00 N ATOM 568 CA GLY A 37 6.093 3.236 -9.930 1.00 0.00 C ATOM 569 C GLY A 37 5.874 1.977 -9.077 1.00 0.00 C ATOM 570 O GLY A 37 4.786 1.415 -9.045 1.00 0.00 O ATOM 0 H GLY A 37 7.856 3.723 -8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.389 4.009 -9.620 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.877 3.007 -10.974 1.00 0.00 H new ATOM 574 N LYS A 38 6.962 1.567 -8.390 1.00 0.00 N ATOM 575 CA LYS A 38 6.829 0.390 -7.564 1.00 0.00 C ATOM 576 C LYS A 38 6.056 0.766 -6.323 1.00 0.00 C ATOM 577 O LYS A 38 6.120 1.890 -5.844 1.00 0.00 O ATOM 578 CB LYS A 38 8.199 -0.127 -7.169 1.00 0.00 C ATOM 579 CG LYS A 38 8.170 -1.622 -6.875 1.00 0.00 C ATOM 580 CD LYS A 38 8.655 -2.434 -8.071 1.00 0.00 C ATOM 581 CE LYS A 38 9.408 -3.682 -7.626 1.00 0.00 C ATOM 582 NZ LYS A 38 8.536 -4.841 -7.489 1.00 0.00 N ATOM 0 H LYS A 38 7.879 2.013 -8.398 1.00 0.00 H new ATOM 0 HA LYS A 38 6.307 -0.392 -8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.909 0.073 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.552 0.411 -6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.797 -1.836 -6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.155 -1.924 -6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.803 -2.721 -8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.304 -1.817 -8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.193 -3.906 -8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.899 -3.486 -6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.929 -5.489 -6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.590 -4.530 -7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.466 -5.333 -8.403 1.00 0.00 H new ATOM 596 N PHE A 39 5.325 -0.235 -5.831 1.00 0.00 N ATOM 597 CA PHE A 39 4.551 0.052 -4.634 1.00 0.00 C ATOM 598 C PHE A 39 4.130 -1.221 -3.901 1.00 0.00 C ATOM 599 O PHE A 39 4.067 -2.311 -4.453 1.00 0.00 O ATOM 600 CB PHE A 39 3.332 0.896 -5.016 1.00 0.00 C ATOM 601 CG PHE A 39 2.219 0.061 -5.582 1.00 0.00 C ATOM 602 CD1 PHE A 39 2.223 -0.317 -6.946 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.142 -0.337 -4.756 1.00 0.00 C ATOM 604 CE1 PHE A 39 1.160 -1.081 -7.477 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.079 -1.100 -5.286 1.00 0.00 C ATOM 606 CZ PHE A 39 0.088 -1.471 -6.646 1.00 0.00 C ATOM 0 H PHE A 39 5.255 -1.180 -6.209 1.00 0.00 H new ATOM 0 HA PHE A 39 5.180 0.611 -3.942 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.972 1.430 -4.137 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.628 1.648 -5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.042 -0.020 -7.584 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.133 -0.055 -3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.168 -1.367 -8.519 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.741 -1.399 -4.650 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.726 -2.054 -7.052 1.00 0.00 H new ATOM 616 N LEU A 40 3.840 -0.972 -2.613 1.00 0.00 N ATOM 617 CA LEU A 40 3.388 -2.052 -1.755 1.00 0.00 C ATOM 618 C LEU A 40 2.648 -1.443 -0.566 1.00 0.00 C ATOM 619 O LEU A 40 3.152 -0.567 0.126 1.00 0.00 O ATOM 620 CB LEU A 40 4.580 -2.879 -1.286 1.00 0.00 C ATOM 621 CG LEU A 40 5.421 -2.123 -0.255 1.00 0.00 C ATOM 622 CD1 LEU A 40 4.948 -2.441 1.162 1.00 0.00 C ATOM 623 CD2 LEU A 40 6.901 -2.478 -0.406 1.00 0.00 C ATOM 0 H LEU A 40 3.911 -0.059 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 40 2.717 -2.714 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.226 -3.814 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.202 -3.140 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 40 5.297 -1.055 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.558 -1.894 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.905 -2.145 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.043 -3.511 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.484 -1.931 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.035 -3.549 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.240 -2.207 -1.406 1.00 0.00 H new ATOM 635 N ILE A 41 1.424 -1.961 -0.378 1.00 0.00 N ATOM 636 CA ILE A 41 0.623 -1.451 0.721 1.00 0.00 C ATOM 637 C ILE A 41 0.888 -2.277 1.979 1.00 0.00 C ATOM 638 O ILE A 41 1.328 -3.420 1.926 1.00 0.00 O ATOM 639 CB ILE A 41 -0.853 -1.498 0.340 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.734 -1.195 1.553 1.00 0.00 C ATOM 641 CG2 ILE A 41 -1.211 -2.864 -0.239 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.406 0.164 2.171 1.00 0.00 C ATOM 0 H ILE A 41 0.994 -2.693 -0.944 1.00 0.00 H new ATOM 0 HA ILE A 41 0.896 -0.416 0.927 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.033 -0.736 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.782 -1.214 1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.602 -1.976 2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.268 -2.881 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.609 -3.051 -1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.012 -3.637 0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.055 0.339 3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.365 0.175 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.564 0.948 1.431 1.00 0.00 H new ATOM 654 N ARG A 42 0.590 -1.611 3.108 1.00 0.00 N ATOM 655 CA ARG A 42 0.799 -2.268 4.387 1.00 0.00 C ATOM 656 C ARG A 42 -0.477 -2.181 5.222 1.00 0.00 C ATOM 657 O ARG A 42 -1.108 -1.136 5.332 1.00 0.00 O ATOM 658 CB ARG A 42 1.957 -1.592 5.118 1.00 0.00 C ATOM 659 CG ARG A 42 3.220 -2.453 5.094 1.00 0.00 C ATOM 660 CD ARG A 42 4.431 -1.683 5.621 1.00 0.00 C ATOM 661 NE ARG A 42 4.095 -1.001 6.859 1.00 0.00 N ATOM 662 CZ ARG A 42 3.954 -1.729 7.981 1.00 0.00 C ATOM 663 NH1 ARG A 42 4.122 -3.048 7.946 1.00 0.00 N ATOM 664 NH2 ARG A 42 3.645 -1.130 9.128 1.00 0.00 N ATOM 0 H ARG A 42 0.221 -0.661 3.153 1.00 0.00 H new ATOM 0 HA ARG A 42 1.043 -3.318 4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.165 -0.627 4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.670 -1.395 6.151 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.064 -3.347 5.698 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.415 -2.787 4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.261 -2.369 5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.762 -0.958 4.877 1.00 0.00 H new ATOM 0 HE ARG A 42 3.968 0.011 6.877 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.358 -3.509 7.067 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.015 -3.599 8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.515 -0.119 9.156 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.538 -1.682 9.979 1.00 0.00 H new ATOM 678 N ALA A 43 -0.809 -3.349 5.800 1.00 0.00 N ATOM 679 CA ALA A 43 -2.003 -3.400 6.626 1.00 0.00 C ATOM 680 C ALA A 43 -1.688 -2.831 8.008 1.00 0.00 C ATOM 681 O ALA A 43 -0.690 -2.151 8.215 1.00 0.00 O ATOM 682 CB ALA A 43 -2.490 -4.842 6.736 1.00 0.00 C ATOM 0 H ALA A 43 -0.291 -4.223 5.712 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.793 -2.802 6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.386 -4.877 7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.722 -5.225 5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.711 -5.456 7.189 1.00 0.00 H new ATOM 770 N TYR A 50 -3.394 1.964 7.497 1.00 0.00 N ATOM 771 CA TYR A 50 -2.767 1.368 6.329 1.00 0.00 C ATOM 772 C TYR A 50 -1.798 2.374 5.707 1.00 0.00 C ATOM 773 O TYR A 50 -2.160 3.475 5.294 1.00 0.00 O ATOM 774 CB TYR A 50 -3.839 0.949 5.322 1.00 0.00 C ATOM 775 CG TYR A 50 -4.761 -0.083 5.906 1.00 0.00 C ATOM 776 CD1 TYR A 50 -5.665 0.263 6.942 1.00 0.00 C ATOM 777 CD2 TYR A 50 -4.738 -1.415 5.426 1.00 0.00 C ATOM 778 CE1 TYR A 50 -6.532 -0.711 7.489 1.00 0.00 C ATOM 779 CE2 TYR A 50 -5.604 -2.389 5.974 1.00 0.00 C ATOM 780 CZ TYR A 50 -6.501 -2.036 7.005 1.00 0.00 C ATOM 781 OH TYR A 50 -7.347 -2.986 7.539 1.00 0.00 O ATOM 0 HA TYR A 50 -2.209 0.479 6.622 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.415 1.822 5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.364 0.550 4.426 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.692 1.276 7.315 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.054 -1.689 4.636 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.218 -0.441 8.278 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.579 -3.403 5.604 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.198 -3.845 7.092 1.00 0.00 H new ATOM 791 N ALA A 51 -0.533 1.935 5.668 1.00 0.00 N ATOM 792 CA ALA A 51 0.455 2.823 5.098 1.00 0.00 C ATOM 793 C ALA A 51 0.944 2.266 3.770 1.00 0.00 C ATOM 794 O ALA A 51 1.438 1.150 3.670 1.00 0.00 O ATOM 795 CB ALA A 51 1.613 3.021 6.073 1.00 0.00 C ATOM 0 H ALA A 51 -0.196 1.032 6.002 1.00 0.00 H new ATOM 0 HA ALA A 51 0.001 3.797 4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.350 3.692 5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.238 3.454 7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.079 2.059 6.285 1.00 0.00 H new ATOM 801 N LEU A 52 0.766 3.134 2.762 1.00 0.00 N ATOM 802 CA LEU A 52 1.184 2.745 1.426 1.00 0.00 C ATOM 803 C LEU A 52 2.651 3.113 1.224 1.00 0.00 C ATOM 804 O LEU A 52 3.049 4.266 1.306 1.00 0.00 O ATOM 805 CB LEU A 52 0.296 3.437 0.393 1.00 0.00 C ATOM 806 CG LEU A 52 1.038 3.712 -0.915 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.405 2.399 -1.608 1.00 0.00 C ATOM 808 CD2 LEU A 52 0.173 4.572 -1.835 1.00 0.00 C ATOM 0 H LEU A 52 0.355 4.064 2.846 1.00 0.00 H new ATOM 0 HA LEU A 52 1.080 1.667 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.576 2.814 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.072 4.377 0.804 1.00 0.00 H new ATOM 0 HG LEU A 52 1.958 4.251 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.933 2.613 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.047 1.809 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.497 1.837 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.709 4.763 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.758 4.048 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.051 5.519 -1.344 1.00 0.00 H new ATOM 820 N CYS A 53 3.416 2.053 0.930 1.00 0.00 N ATOM 821 CA CYS A 53 4.835 2.263 0.722 1.00 0.00 C ATOM 822 C CYS A 53 5.181 1.971 -0.712 1.00 0.00 C ATOM 823 O CYS A 53 4.978 0.884 -1.228 1.00 0.00 O ATOM 824 CB CYS A 53 5.641 1.365 1.657 1.00 0.00 C ATOM 825 SG CYS A 53 4.674 0.759 3.062 1.00 0.00 S ATOM 0 H CYS A 53 3.088 1.092 0.836 1.00 0.00 H new ATOM 0 HA CYS A 53 5.082 3.301 0.943 1.00 0.00 H new ATOM 0 HB2 CYS A 53 6.025 0.515 1.094 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.504 1.918 2.028 1.00 0.00 H new ATOM 0 HG CYS A 53 4.106 -0.367 2.745 1.00 0.00 H new ATOM 831 N LEU A 54 5.722 3.025 -1.316 1.00 0.00 N ATOM 832 CA LEU A 54 6.081 2.897 -2.683 1.00 0.00 C ATOM 833 C LEU A 54 7.350 3.706 -2.960 1.00 0.00 C ATOM 834 O LEU A 54 7.817 4.447 -2.113 1.00 0.00 O ATOM 835 CB LEU A 54 4.847 3.313 -3.477 1.00 0.00 C ATOM 836 CG LEU A 54 4.656 4.825 -3.751 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.247 5.239 -3.329 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.662 5.716 -3.024 1.00 0.00 C ATOM 0 H LEU A 54 5.907 3.931 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 54 6.346 1.882 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.873 2.797 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.966 2.953 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 54 4.817 4.966 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.108 6.303 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.514 4.669 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.113 5.041 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.464 6.760 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.568 5.568 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.673 5.456 -3.339 1.00 0.00 H new ATOM 850 N LEU A 55 7.895 3.524 -4.174 1.00 0.00 N ATOM 851 CA LEU A 55 9.109 4.265 -4.462 1.00 0.00 C ATOM 852 C LEU A 55 8.914 5.130 -5.699 1.00 0.00 C ATOM 853 O LEU A 55 8.352 4.707 -6.702 1.00 0.00 O ATOM 854 CB LEU A 55 10.258 3.285 -4.657 1.00 0.00 C ATOM 855 CG LEU A 55 11.612 4.001 -4.708 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.344 3.926 -3.373 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.490 3.387 -5.787 1.00 0.00 C ATOM 0 H LEU A 55 7.541 2.917 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 55 9.345 4.924 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.260 2.560 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.107 2.726 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 55 11.414 5.049 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.299 4.446 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.738 4.396 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.519 2.882 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.449 3.904 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.653 2.332 -5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.998 3.484 -6.755 1.00 0.00 H new ATOM 869 N HIS A 56 9.414 6.372 -5.557 1.00 0.00 N ATOM 870 CA HIS A 56 9.299 7.282 -6.676 1.00 0.00 C ATOM 871 C HIS A 56 10.508 7.035 -7.570 1.00 0.00 C ATOM 872 O HIS A 56 10.414 6.523 -8.678 1.00 0.00 O ATOM 873 CB HIS A 56 9.270 8.725 -6.175 1.00 0.00 C ATOM 874 CG HIS A 56 9.137 9.663 -7.351 1.00 0.00 C ATOM 875 ND1 HIS A 56 8.593 9.313 -8.537 1.00 0.00 N ATOM 876 CD2 HIS A 56 9.533 11.011 -7.433 1.00 0.00 C ATOM 877 CE1 HIS A 56 8.653 10.404 -9.319 1.00 0.00 C ATOM 878 NE2 HIS A 56 9.216 11.442 -8.675 1.00 0.00 N ATOM 0 H HIS A 56 9.873 6.739 -4.724 1.00 0.00 H new ATOM 0 HA HIS A 56 8.376 7.116 -7.232 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.436 8.866 -5.487 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.182 8.947 -5.620 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.001 11.591 -6.652 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.294 10.443 -10.337 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.374 12.377 -9.052 1.00 0.00 H new ATOM 886 N GLU A 57 11.645 7.442 -6.990 1.00 0.00 N ATOM 887 CA GLU A 57 12.900 7.236 -7.655 1.00 0.00 C ATOM 888 C GLU A 57 13.987 7.262 -6.597 1.00 0.00 C ATOM 889 O GLU A 57 14.507 8.303 -6.220 1.00 0.00 O ATOM 890 CB GLU A 57 13.161 8.316 -8.664 1.00 0.00 C ATOM 891 CG GLU A 57 12.617 9.670 -8.208 1.00 0.00 C ATOM 892 CD GLU A 57 12.998 10.750 -9.222 1.00 0.00 C ATOM 893 OE1 GLU A 57 14.096 11.293 -9.116 1.00 0.00 O ATOM 894 OE2 GLU A 57 12.191 11.037 -10.105 1.00 0.00 O ATOM 0 H GLU A 57 11.704 7.904 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 57 12.883 6.283 -8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.234 8.397 -8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.703 8.043 -9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.533 9.621 -8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.019 9.922 -7.227 1.00 0.00 H new ATOM 901 N GLY A 58 14.295 6.046 -6.162 1.00 0.00 N ATOM 902 CA GLY A 58 15.293 5.914 -5.120 1.00 0.00 C ATOM 903 C GLY A 58 14.863 6.641 -3.829 1.00 0.00 C ATOM 904 O GLY A 58 15.645 6.806 -2.900 1.00 0.00 O ATOM 0 H GLY A 58 13.886 5.175 -6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.459 4.858 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.241 6.322 -5.470 1.00 0.00 H new ATOM 908 N LYS A 59 13.572 7.050 -3.830 1.00 0.00 N ATOM 909 CA LYS A 59 13.056 7.738 -2.671 1.00 0.00 C ATOM 910 C LYS A 59 11.790 7.028 -2.243 1.00 0.00 C ATOM 911 O LYS A 59 10.685 7.344 -2.665 1.00 0.00 O ATOM 912 CB LYS A 59 12.749 9.191 -2.993 1.00 0.00 C ATOM 913 CG LYS A 59 13.963 9.932 -3.554 1.00 0.00 C ATOM 914 CD LYS A 59 15.212 9.688 -2.709 1.00 0.00 C ATOM 915 CE LYS A 59 16.036 10.966 -2.545 1.00 0.00 C ATOM 916 NZ LYS A 59 17.226 10.759 -1.728 1.00 0.00 N ATOM 0 H LYS A 59 12.911 6.914 -4.594 1.00 0.00 H new ATOM 0 HA LYS A 59 13.798 7.727 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.934 9.236 -3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.404 9.695 -2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.147 9.607 -4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.752 11.001 -3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.921 9.313 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.824 8.917 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.333 11.332 -3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.416 11.739 -2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.751 11.653 -1.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.945 10.435 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.832 10.041 -2.174 1.00 0.00 H new ATOM 930 N VAL A 60 12.036 6.052 -1.378 1.00 0.00 N ATOM 931 CA VAL A 60 10.923 5.268 -0.893 1.00 0.00 C ATOM 932 C VAL A 60 10.038 6.135 -0.014 1.00 0.00 C ATOM 933 O VAL A 60 10.490 7.001 0.724 1.00 0.00 O ATOM 934 CB VAL A 60 11.427 4.071 -0.099 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.705 4.477 1.342 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.396 2.945 -0.125 1.00 0.00 C ATOM 0 H VAL A 60 12.954 5.797 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 60 10.346 4.904 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 60 12.351 3.717 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.065 3.613 1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.462 5.261 1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.788 4.848 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.770 2.096 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.463 3.296 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.218 2.638 -1.156 1.00 0.00 H new ATOM 946 N LEU A 61 8.752 5.810 -0.136 1.00 0.00 N ATOM 947 CA LEU A 61 7.770 6.546 0.625 1.00 0.00 C ATOM 948 C LEU A 61 6.871 5.624 1.408 1.00 0.00 C ATOM 949 O LEU A 61 6.890 4.404 1.291 1.00 0.00 O ATOM 950 CB LEU A 61 6.927 7.395 -0.316 1.00 0.00 C ATOM 951 CG LEU A 61 7.825 8.105 -1.306 1.00 0.00 C ATOM 952 CD1 LEU A 61 7.021 8.983 -2.263 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.828 8.925 -0.519 1.00 0.00 C ATOM 0 H LEU A 61 8.385 5.069 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 61 8.301 7.183 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.211 6.766 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.351 8.124 0.254 1.00 0.00 H new ATOM 0 HG LEU A 61 8.344 7.373 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.698 9.477 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.316 8.365 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.474 9.735 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.490 9.449 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.300 9.651 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.417 8.266 0.119 1.00 0.00 H new ATOM 965 N HIS A 62 6.073 6.333 2.204 1.00 0.00 N ATOM 966 CA HIS A 62 5.114 5.648 3.050 1.00 0.00 C ATOM 967 C HIS A 62 3.944 6.589 3.327 1.00 0.00 C ATOM 968 O HIS A 62 4.124 7.707 3.763 1.00 0.00 O ATOM 969 CB HIS A 62 5.781 5.270 4.376 1.00 0.00 C ATOM 970 CG HIS A 62 6.693 4.080 4.195 1.00 0.00 C ATOM 971 ND1 HIS A 62 7.993 4.168 3.834 1.00 0.00 N ATOM 972 CD2 HIS A 62 6.392 2.724 4.414 1.00 0.00 C ATOM 973 CE1 HIS A 62 8.474 2.912 3.834 1.00 0.00 C ATOM 974 NE2 HIS A 62 7.525 2.023 4.179 1.00 0.00 N ATOM 0 H HIS A 62 6.073 7.350 2.277 1.00 0.00 H new ATOM 0 HA HIS A 62 4.760 4.745 2.552 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.352 6.117 4.756 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.018 5.040 5.120 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.437 2.319 4.713 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.493 2.650 3.588 1.00 0.00 H new ATOM 0 HE2 HIS A 62 7.638 1.012 4.250 1.00 0.00 H new ATOM 982 N TYR A 63 2.736 6.083 3.041 1.00 0.00 N ATOM 983 CA TYR A 63 1.580 6.908 3.306 1.00 0.00 C ATOM 984 C TYR A 63 0.847 6.297 4.507 1.00 0.00 C ATOM 985 O TYR A 63 1.233 5.253 5.000 1.00 0.00 O ATOM 986 CB TYR A 63 0.727 7.003 2.043 1.00 0.00 C ATOM 987 CG TYR A 63 1.429 7.855 1.014 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.680 9.233 1.261 1.00 0.00 C ATOM 989 CD2 TYR A 63 1.932 7.273 -0.179 1.00 0.00 C ATOM 990 CE1 TYR A 63 2.426 9.995 0.340 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.678 8.045 -1.094 1.00 0.00 C ATOM 992 CZ TYR A 63 2.923 9.404 -0.836 1.00 0.00 C ATOM 993 OH TYR A 63 3.653 10.157 -1.733 1.00 0.00 O ATOM 0 H TYR A 63 2.551 5.160 2.649 1.00 0.00 H new ATOM 0 HA TYR A 63 1.847 7.933 3.563 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.545 6.007 1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.246 7.433 2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.297 9.697 2.158 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.742 6.231 -0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.617 11.039 0.538 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.062 7.590 -1.995 1.00 0.00 H new ATOM 0 HH TYR A 63 4.119 9.562 -2.356 1.00 0.00 H new ATOM 1003 N ARG A 64 -0.199 7.015 4.956 1.00 0.00 N ATOM 1004 CA ARG A 64 -0.914 6.548 6.158 1.00 0.00 C ATOM 1005 C ARG A 64 -2.340 6.060 5.870 1.00 0.00 C ATOM 1006 O ARG A 64 -3.174 5.931 6.758 1.00 0.00 O ATOM 1007 CB ARG A 64 -1.018 7.726 7.084 1.00 0.00 C ATOM 1008 CG ARG A 64 -0.122 7.579 8.315 1.00 0.00 C ATOM 1009 CD ARG A 64 -0.944 7.409 9.593 1.00 0.00 C ATOM 1010 NE ARG A 64 -1.703 8.616 9.869 1.00 0.00 N ATOM 1011 CZ ARG A 64 -2.746 8.542 10.717 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -3.065 7.381 11.283 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -3.459 9.632 10.989 1.00 0.00 N ATOM 0 H ARG A 64 -0.553 7.873 4.533 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.361 5.706 6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.745 8.634 6.545 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.054 7.844 7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.535 6.718 8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.517 8.457 8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.621 6.562 9.488 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.284 7.187 10.431 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.451 9.501 9.430 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.519 6.545 11.075 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.856 7.327 11.925 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.215 10.522 10.555 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.249 9.577 11.631 1.00 0.00 H new ATOM 1027 N ILE A 65 -2.528 5.827 4.591 1.00 0.00 N ATOM 1028 CA ILE A 65 -3.824 5.376 4.075 1.00 0.00 C ATOM 1029 C ILE A 65 -4.707 4.766 5.171 1.00 0.00 C ATOM 1030 O ILE A 65 -4.365 3.779 5.806 1.00 0.00 O ATOM 1031 CB ILE A 65 -3.589 4.344 2.976 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -2.611 4.880 1.934 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -4.915 3.962 2.319 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.625 4.024 0.666 1.00 0.00 C ATOM 0 H ILE A 65 -1.806 5.939 3.879 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.349 6.246 3.682 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.152 3.452 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.871 5.909 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.605 4.898 2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.734 3.225 1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.584 3.539 3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.374 4.849 1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.918 4.432 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.341 3.001 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.626 4.028 0.235 1.00 0.00 H new ATOM 1046 N ASP A 66 -5.866 5.432 5.353 1.00 0.00 N ATOM 1047 CA ASP A 66 -6.807 4.932 6.337 1.00 0.00 C ATOM 1048 C ASP A 66 -8.219 5.317 5.933 1.00 0.00 C ATOM 1049 O ASP A 66 -8.445 6.047 4.981 1.00 0.00 O ATOM 1050 CB ASP A 66 -6.490 5.502 7.703 1.00 0.00 C ATOM 1051 CG ASP A 66 -7.194 4.688 8.788 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -7.267 3.468 8.651 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -7.661 5.283 9.758 1.00 0.00 O ATOM 0 H ASP A 66 -6.151 6.274 4.853 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.727 3.846 6.384 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.413 5.490 7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.809 6.543 7.754 1.00 0.00 H new ATOM 1058 N LYS A 67 -9.143 4.810 6.760 1.00 0.00 N ATOM 1059 CA LYS A 67 -10.542 5.074 6.486 1.00 0.00 C ATOM 1060 C LYS A 67 -11.008 6.312 7.249 1.00 0.00 C ATOM 1061 O LYS A 67 -10.246 7.233 7.518 1.00 0.00 O ATOM 1062 CB LYS A 67 -11.371 3.856 6.887 1.00 0.00 C ATOM 1063 CG LYS A 67 -11.306 3.599 8.388 1.00 0.00 C ATOM 1064 CD LYS A 67 -9.934 3.090 8.825 1.00 0.00 C ATOM 1065 CE LYS A 67 -10.058 1.925 9.808 1.00 0.00 C ATOM 1066 NZ LYS A 67 -8.761 1.440 10.262 1.00 0.00 N ATOM 0 H LYS A 67 -8.951 4.242 7.585 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.673 5.263 5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.408 4.008 6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.010 2.978 6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.538 4.520 8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.067 2.869 8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.367 2.771 7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.374 3.902 9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.646 2.241 10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.602 1.109 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.654 0.439 10.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.006 1.998 9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.697 1.536 11.296 1.00 0.00 H new ATOM 1080 N ASP A 68 -12.314 6.264 7.576 1.00 0.00 N ATOM 1081 CA ASP A 68 -12.887 7.386 8.300 1.00 0.00 C ATOM 1082 C ASP A 68 -13.402 6.901 9.650 1.00 0.00 C ATOM 1083 O ASP A 68 -12.857 7.204 10.705 1.00 0.00 O ATOM 1084 CB ASP A 68 -14.023 7.992 7.480 1.00 0.00 C ATOM 1085 CG ASP A 68 -14.418 9.351 8.063 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -13.551 10.215 8.178 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -15.589 9.528 8.396 1.00 0.00 O ATOM 0 H ASP A 68 -12.953 5.499 7.359 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.128 8.151 8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.712 8.108 6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.883 7.322 7.482 1.00 0.00 H new ATOM 1092 N LYS A 69 -14.491 6.128 9.532 1.00 0.00 N ATOM 1093 CA LYS A 69 -15.102 5.577 10.734 1.00 0.00 C ATOM 1094 C LYS A 69 -16.074 4.452 10.364 1.00 0.00 C ATOM 1095 O LYS A 69 -16.492 3.657 11.197 1.00 0.00 O ATOM 1096 CB LYS A 69 -15.824 6.689 11.483 1.00 0.00 C ATOM 1097 CG LYS A 69 -16.904 7.328 10.610 1.00 0.00 C ATOM 1098 CD LYS A 69 -16.885 8.851 10.713 1.00 0.00 C ATOM 1099 CE LYS A 69 -17.559 9.336 11.997 1.00 0.00 C ATOM 1100 NZ LYS A 69 -17.644 10.789 12.065 1.00 0.00 N ATOM 0 H LYS A 69 -14.946 5.882 8.653 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.329 5.157 11.378 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.276 6.287 12.390 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.106 7.448 11.794 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.755 7.032 9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -17.883 6.955 10.911 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.855 9.205 10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.393 9.281 9.850 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -18.562 8.913 12.060 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -17.002 8.967 12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -18.108 11.068 12.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.687 11.195 12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.198 11.142 11.259 1.00 0.00 H new ATOM 1114 N THR A 70 -16.393 4.446 9.065 1.00 0.00 N ATOM 1115 CA THR A 70 -17.266 3.431 8.549 1.00 0.00 C ATOM 1116 C THR A 70 -16.428 2.217 8.143 1.00 0.00 C ATOM 1117 O THR A 70 -16.902 1.089 8.084 1.00 0.00 O ATOM 1118 CB THR A 70 -17.942 4.015 7.322 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.151 4.630 7.690 1.00 0.00 O ATOM 1120 CG2 THR A 70 -18.193 2.960 6.260 1.00 0.00 C ATOM 0 H THR A 70 -16.060 5.124 8.379 1.00 0.00 H new ATOM 0 HA THR A 70 -18.003 3.121 9.290 1.00 0.00 H new ATOM 0 HB THR A 70 -17.270 4.759 6.893 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.582 5.007 6.894 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.678 3.419 5.399 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.244 2.522 5.951 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.837 2.181 6.667 1.00 0.00 H new ATOM 1128 N GLY A 71 -15.151 2.540 7.866 1.00 0.00 N ATOM 1129 CA GLY A 71 -14.251 1.498 7.442 1.00 0.00 C ATOM 1130 C GLY A 71 -13.731 1.713 6.013 1.00 0.00 C ATOM 1131 O GLY A 71 -12.763 1.099 5.581 1.00 0.00 O ATOM 0 H GLY A 71 -14.750 3.476 7.929 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.406 1.451 8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.762 0.537 7.498 1.00 0.00 H new ATOM 1135 N LYS A 72 -14.438 2.619 5.318 1.00 0.00 N ATOM 1136 CA LYS A 72 -14.043 2.904 3.947 1.00 0.00 C ATOM 1137 C LYS A 72 -12.621 3.438 3.971 1.00 0.00 C ATOM 1138 O LYS A 72 -12.336 4.449 4.588 1.00 0.00 O ATOM 1139 CB LYS A 72 -14.988 3.934 3.325 1.00 0.00 C ATOM 1140 CG LYS A 72 -16.404 3.823 3.893 1.00 0.00 C ATOM 1141 CD LYS A 72 -17.361 4.810 3.222 1.00 0.00 C ATOM 1142 CE LYS A 72 -17.616 4.441 1.761 1.00 0.00 C ATOM 1143 NZ LYS A 72 -18.539 5.362 1.108 1.00 0.00 N ATOM 0 H LYS A 72 -15.244 3.138 5.667 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.094 1.998 3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.602 4.937 3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.018 3.794 2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.773 2.807 3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.381 4.010 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.307 4.827 3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.945 5.816 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.670 4.435 1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.019 3.430 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.680 5.070 0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.452 5.350 1.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.144 6.324 1.132 1.00 0.00 H new ATOM 1157 N LEU A 73 -11.760 2.736 3.218 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.378 3.152 3.222 1.00 0.00 C ATOM 1159 C LEU A 73 -10.247 4.378 2.342 1.00 0.00 C ATOM 1160 O LEU A 73 -10.945 4.538 1.354 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.501 2.019 2.703 1.00 0.00 C ATOM 1162 CG LEU A 73 -9.686 0.741 3.520 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -8.907 -0.413 2.891 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -9.230 0.961 4.963 1.00 0.00 C ATOM 0 H LEU A 73 -11.989 1.929 2.637 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.054 3.395 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.742 1.821 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.455 2.324 2.736 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.745 0.485 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.050 -1.315 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.268 -0.586 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.847 -0.162 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.368 0.042 5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.176 1.239 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.820 1.759 5.414 1.00 0.00 H new ATOM 1176 N SER A 74 -9.313 5.231 2.772 1.00 0.00 N ATOM 1177 CA SER A 74 -9.116 6.453 2.027 1.00 0.00 C ATOM 1178 C SER A 74 -7.826 7.120 2.477 1.00 0.00 C ATOM 1179 O SER A 74 -6.993 6.531 3.154 1.00 0.00 O ATOM 1180 CB SER A 74 -10.306 7.383 2.254 1.00 0.00 C ATOM 1181 OG SER A 74 -10.432 7.705 3.616 1.00 0.00 O ATOM 0 H SER A 74 -8.716 5.101 3.589 1.00 0.00 H new ATOM 0 HA SER A 74 -9.042 6.229 0.963 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.178 8.294 1.670 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.220 6.905 1.902 1.00 0.00 H new ATOM 0 HG SER A 74 -9.790 7.179 4.137 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.740 8.393 2.069 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.552 9.152 2.396 1.00 0.00 C ATOM 1189 C ILE A 75 -6.905 10.639 2.435 1.00 0.00 C ATOM 1190 O ILE A 75 -7.687 11.133 1.632 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.518 8.878 1.308 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.370 7.373 1.087 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -4.163 9.506 1.641 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.194 7.059 0.173 1.00 0.00 C ATOM 0 H ILE A 75 -8.452 8.892 1.535 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.153 8.866 3.369 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.875 9.340 0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.230 6.875 2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.287 6.976 0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.455 9.288 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.277 10.585 1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.791 9.093 2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.117 5.980 0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.347 7.537 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.274 7.435 0.621 1.00 0.00 H new ATOM 1206 N PRO A 76 -6.287 11.332 3.418 1.00 0.00 N ATOM 1207 CA PRO A 76 -6.491 12.755 3.599 1.00 0.00 C ATOM 1208 C PRO A 76 -6.253 13.517 2.299 1.00 0.00 C ATOM 1209 O PRO A 76 -7.155 14.103 1.712 1.00 0.00 O ATOM 1210 CB PRO A 76 -5.479 13.184 4.665 1.00 0.00 C ATOM 1211 CG PRO A 76 -4.795 11.906 5.178 1.00 0.00 C ATOM 1212 CD PRO A 76 -5.348 10.740 4.353 1.00 0.00 C ATOM 0 HA PRO A 76 -7.516 12.972 3.900 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.745 13.872 4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.977 13.708 5.480 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.713 11.977 5.068 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.999 11.759 6.239 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.548 10.218 3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.841 10.007 4.992 1.00 0.00 H new ATOM 1220 N GLU A 77 -4.974 13.465 1.899 1.00 0.00 N ATOM 1221 CA GLU A 77 -4.603 14.132 0.662 1.00 0.00 C ATOM 1222 C GLU A 77 -4.786 13.172 -0.524 1.00 0.00 C ATOM 1223 O GLU A 77 -5.126 13.579 -1.628 1.00 0.00 O ATOM 1224 CB GLU A 77 -3.157 14.615 0.751 1.00 0.00 C ATOM 1225 CG GLU A 77 -2.251 13.581 1.418 1.00 0.00 C ATOM 1226 CD GLU A 77 -2.419 13.641 2.938 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -2.812 14.691 3.444 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -2.155 12.637 3.598 1.00 0.00 O ATOM 0 H GLU A 77 -4.218 12.990 2.392 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.248 14.997 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.784 14.832 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.120 15.547 1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.497 12.583 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.211 13.770 1.151 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.537 11.879 -0.223 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.686 10.878 -1.266 1.00 0.00 C ATOM 1237 C GLY A 78 -6.076 10.976 -1.918 1.00 0.00 C ATOM 1238 O GLY A 78 -6.387 11.918 -2.636 1.00 0.00 O ATOM 0 H GLY A 78 -4.247 11.529 0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.913 11.016 -2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.546 9.883 -0.845 1.00 0.00 H new ATOM 1242 N LYS A 79 -6.881 9.935 -1.617 1.00 0.00 N ATOM 1243 CA LYS A 79 -8.229 9.910 -2.161 1.00 0.00 C ATOM 1244 C LYS A 79 -9.172 9.210 -1.176 1.00 0.00 C ATOM 1245 O LYS A 79 -9.129 9.413 0.031 1.00 0.00 O ATOM 1246 CB LYS A 79 -8.218 9.174 -3.498 1.00 0.00 C ATOM 1247 CG LYS A 79 -9.471 9.479 -4.321 1.00 0.00 C ATOM 1248 CD LYS A 79 -9.197 10.549 -5.379 1.00 0.00 C ATOM 1249 CE LYS A 79 -10.473 10.942 -6.125 1.00 0.00 C ATOM 1250 NZ LYS A 79 -11.448 11.588 -5.254 1.00 0.00 N ATOM 0 H LYS A 79 -6.626 9.142 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.582 10.929 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.332 9.461 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.150 8.100 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.821 8.567 -4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.270 9.815 -3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.767 11.430 -4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.459 10.178 -6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.219 11.615 -6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.920 10.053 -6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.173 12.059 -5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.899 10.873 -4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.968 12.293 -4.659 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.019 8.379 -1.798 1.00 0.00 N ATOM 1265 CA LYS A 80 -10.995 7.623 -1.021 1.00 0.00 C ATOM 1266 C LYS A 80 -11.393 6.370 -1.804 1.00 0.00 C ATOM 1267 O LYS A 80 -11.515 6.389 -3.023 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.218 8.496 -0.748 1.00 0.00 C ATOM 1269 CG LYS A 80 -13.302 7.726 0.008 1.00 0.00 C ATOM 1270 CD LYS A 80 -14.561 8.573 0.202 1.00 0.00 C ATOM 1271 CE LYS A 80 -14.283 9.805 1.063 1.00 0.00 C ATOM 1272 NZ LYS A 80 -15.471 10.628 1.255 1.00 0.00 N ATOM 0 H LYS A 80 -10.046 8.219 -2.805 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.563 7.324 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.920 9.370 -0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.622 8.862 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.554 6.818 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.918 7.415 0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.943 8.886 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.338 7.969 0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.903 9.488 2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.501 10.403 0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.232 11.451 1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.820 10.954 0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.209 10.067 1.726 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.587 5.281 -1.030 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.945 4.043 -1.673 1.00 0.00 C ATOM 1288 C PHE A 81 -12.662 3.097 -0.707 1.00 0.00 C ATOM 1289 O PHE A 81 -12.711 3.293 0.508 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.674 3.391 -2.156 1.00 0.00 C ATOM 1291 CG PHE A 81 -10.090 4.127 -3.325 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.611 3.932 -4.627 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -9.007 5.020 -3.138 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -10.055 4.621 -5.729 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.450 5.707 -4.240 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.975 5.508 -5.534 1.00 0.00 C ATOM 0 H PHE A 81 -11.503 5.250 -0.014 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.625 4.251 -2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.948 3.361 -1.344 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.878 2.359 -2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -11.437 3.253 -4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.605 5.177 -2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.457 4.469 -6.720 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.622 6.385 -4.092 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.550 6.035 -6.376 1.00 0.00 H new ATOM 1306 N ASP A 82 -13.175 2.030 -1.348 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.897 1.027 -0.588 1.00 0.00 C ATOM 1308 C ASP A 82 -12.908 0.086 0.098 1.00 0.00 C ATOM 1309 O ASP A 82 -12.987 -0.165 1.295 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.814 0.247 -1.526 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.584 -0.813 -0.736 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -15.669 -0.689 0.484 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -16.088 -1.751 -1.351 1.00 0.00 O ATOM 0 H ASP A 82 -13.101 1.855 -2.350 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.502 1.511 0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.511 0.927 -2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.227 -0.228 -2.312 1.00 0.00 H new ATOM 1318 N THR A 83 -11.973 -0.419 -0.733 1.00 0.00 N ATOM 1319 CA THR A 83 -10.990 -1.319 -0.189 1.00 0.00 C ATOM 1320 C THR A 83 -9.661 -1.020 -0.855 1.00 0.00 C ATOM 1321 O THR A 83 -9.578 -0.317 -1.855 1.00 0.00 O ATOM 1322 CB THR A 83 -11.406 -2.767 -0.449 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.555 -2.967 -1.833 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.709 -3.126 0.263 1.00 0.00 C ATOM 0 H THR A 83 -11.894 -0.220 -1.730 1.00 0.00 H new ATOM 0 HA THR A 83 -10.904 -1.183 0.889 1.00 0.00 H new ATOM 0 HB THR A 83 -10.624 -3.415 -0.053 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.820 -3.895 -2.003 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.966 -4.164 0.050 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.584 -2.996 1.338 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.508 -2.474 -0.090 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.632 -1.596 -0.235 1.00 0.00 N ATOM 1333 CA LEU A 84 -7.315 -1.416 -0.749 1.00 0.00 C ATOM 1334 C LEU A 84 -7.159 -2.000 -2.151 1.00 0.00 C ATOM 1335 O LEU A 84 -6.111 -1.907 -2.770 1.00 0.00 O ATOM 1336 CB LEU A 84 -6.408 -2.139 0.213 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.639 -1.177 1.101 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.790 -1.948 2.107 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.772 -0.263 0.247 1.00 0.00 C ATOM 0 H LEU A 84 -8.701 -2.174 0.603 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.079 -0.355 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.000 -2.811 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.705 -2.757 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.347 -0.562 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.244 -1.245 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.436 -2.567 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.082 -2.583 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.223 0.424 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.067 -0.863 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.404 0.305 -0.435 1.00 0.00 H new ATOM 1351 N TRP A 85 -8.259 -2.600 -2.596 1.00 0.00 N ATOM 1352 CA TRP A 85 -8.253 -3.193 -3.922 1.00 0.00 C ATOM 1353 C TRP A 85 -8.593 -2.136 -4.948 1.00 0.00 C ATOM 1354 O TRP A 85 -8.157 -2.167 -6.092 1.00 0.00 O ATOM 1355 CB TRP A 85 -9.306 -4.288 -3.972 1.00 0.00 C ATOM 1356 CG TRP A 85 -8.663 -5.603 -4.332 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -7.794 -5.809 -5.401 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -8.829 -6.856 -3.668 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -7.417 -7.122 -5.430 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -8.032 -7.808 -4.376 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -9.568 -7.242 -2.558 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -7.988 -9.133 -3.964 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -9.530 -8.592 -2.128 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -8.739 -9.539 -2.832 1.00 0.00 C ATOM 0 H TRP A 85 -9.134 -2.686 -2.078 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.268 -3.607 -4.137 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -9.804 -4.369 -3.006 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -10.072 -4.035 -4.705 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -7.469 -5.050 -6.097 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.785 -7.538 -6.114 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -10.168 -6.519 -2.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -7.386 -9.850 -4.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.102 -8.901 -1.266 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -8.710 -10.568 -2.505 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.405 -1.204 -4.454 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.819 -0.140 -5.333 1.00 0.00 C ATOM 1377 C GLN A 86 -8.824 0.990 -5.243 1.00 0.00 C ATOM 1378 O GLN A 86 -8.432 1.576 -6.232 1.00 0.00 O ATOM 1379 CB GLN A 86 -11.226 0.327 -4.970 1.00 0.00 C ATOM 1380 CG GLN A 86 -12.244 -0.809 -5.089 1.00 0.00 C ATOM 1381 CD GLN A 86 -12.369 -1.242 -6.551 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -11.672 -0.753 -7.432 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -13.305 -2.189 -6.741 1.00 0.00 N ATOM 0 H GLN A 86 -9.767 -1.169 -3.501 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.848 -0.499 -6.362 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.230 0.715 -3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.518 1.148 -5.625 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.933 -1.654 -4.475 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.213 -0.482 -4.713 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.842 -2.542 -5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.478 -2.555 -7.677 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.427 1.258 -4.007 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.460 2.316 -3.862 1.00 0.00 C ATOM 1394 C LEU A 87 -6.147 1.925 -4.537 1.00 0.00 C ATOM 1395 O LEU A 87 -5.385 2.774 -4.971 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.241 2.614 -2.385 1.00 0.00 C ATOM 1397 CG LEU A 87 -6.142 3.650 -2.186 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -6.242 4.267 -0.793 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.772 3.005 -2.392 1.00 0.00 C ATOM 0 H LEU A 87 -8.736 0.793 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.837 3.217 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.169 2.976 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.976 1.695 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.267 4.444 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.451 5.005 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.212 4.751 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.135 3.486 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.992 3.753 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.638 2.198 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.707 2.604 -3.403 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.934 0.598 -4.614 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.728 0.141 -5.226 1.00 0.00 C ATOM 1413 C VAL A 88 -4.879 0.141 -6.728 1.00 0.00 C ATOM 1414 O VAL A 88 -4.045 0.652 -7.447 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.432 -1.268 -4.771 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.543 -1.940 -5.799 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.771 -1.262 -3.397 1.00 0.00 C ATOM 0 H VAL A 88 -6.564 -0.127 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.915 0.807 -4.938 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.364 -1.827 -4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.323 -2.959 -5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.054 -1.964 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.612 -1.381 -5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.566 -2.287 -3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.836 -0.704 -3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.438 -0.791 -2.675 1.00 0.00 H new ATOM 1427 N GLU A 89 -5.973 -0.507 -7.156 1.00 0.00 N ATOM 1428 CA GLU A 89 -6.167 -0.588 -8.588 1.00 0.00 C ATOM 1429 C GLU A 89 -6.293 0.801 -9.172 1.00 0.00 C ATOM 1430 O GLU A 89 -5.720 1.127 -10.205 1.00 0.00 O ATOM 1431 CB GLU A 89 -7.392 -1.409 -8.896 1.00 0.00 C ATOM 1432 CG GLU A 89 -8.661 -0.785 -8.350 1.00 0.00 C ATOM 1433 CD GLU A 89 -9.445 -0.118 -9.482 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -10.040 -0.835 -10.285 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -9.452 1.110 -9.547 1.00 0.00 O ATOM 0 H GLU A 89 -6.683 -0.949 -6.572 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.303 -1.075 -9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.484 -1.527 -9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.272 -2.407 -8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.275 -1.548 -7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.414 -0.049 -7.585 1.00 0.00 H new ATOM 1442 N HIS A 90 -7.076 1.594 -8.443 1.00 0.00 N ATOM 1443 CA HIS A 90 -7.273 2.949 -8.916 1.00 0.00 C ATOM 1444 C HIS A 90 -5.934 3.604 -9.104 1.00 0.00 C ATOM 1445 O HIS A 90 -5.576 4.079 -10.167 1.00 0.00 O ATOM 1446 CB HIS A 90 -8.087 3.751 -7.917 1.00 0.00 C ATOM 1447 CG HIS A 90 -8.743 4.911 -8.624 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -9.991 4.875 -9.138 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -8.204 6.186 -8.871 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -10.213 6.084 -9.681 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -9.149 6.893 -9.533 1.00 0.00 N ATOM 0 H HIS A 90 -7.554 1.340 -7.579 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.813 2.917 -9.862 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.844 3.117 -7.455 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.444 4.115 -7.116 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -7.222 6.535 -8.586 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -11.130 6.370 -10.174 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -9.069 7.857 -9.858 1.00 0.00 H new ATOM 1459 N TYR A 91 -5.242 3.605 -7.981 1.00 0.00 N ATOM 1460 CA TYR A 91 -3.925 4.198 -7.981 1.00 0.00 C ATOM 1461 C TYR A 91 -3.028 3.474 -8.985 1.00 0.00 C ATOM 1462 O TYR A 91 -2.054 4.025 -9.481 1.00 0.00 O ATOM 1463 CB TYR A 91 -3.345 4.156 -6.583 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.791 5.360 -5.790 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -5.041 5.977 -6.067 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -2.979 5.890 -4.758 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.470 7.097 -5.324 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.412 7.015 -4.016 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.656 7.614 -4.298 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.074 8.710 -3.571 1.00 0.00 O ATOM 0 H TYR A 91 -5.556 3.218 -7.091 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.991 5.242 -8.286 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.662 3.243 -6.079 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.257 4.130 -6.635 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.668 5.585 -6.854 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.025 5.434 -4.536 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.422 7.558 -5.542 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.787 7.415 -3.231 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.357 9.378 -3.545 1.00 0.00 H new ATOM 1480 N SER A 92 -3.408 2.207 -9.261 1.00 0.00 N ATOM 1481 CA SER A 92 -2.636 1.479 -10.252 1.00 0.00 C ATOM 1482 C SER A 92 -2.713 2.222 -11.590 1.00 0.00 C ATOM 1483 O SER A 92 -1.963 1.970 -12.526 1.00 0.00 O ATOM 1484 CB SER A 92 -3.238 0.105 -10.395 1.00 0.00 C ATOM 1485 OG SER A 92 -2.242 -0.883 -10.465 1.00 0.00 O ATOM 0 H SER A 92 -4.190 1.708 -8.838 1.00 0.00 H new ATOM 0 HA SER A 92 -1.592 1.400 -9.948 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.895 -0.097 -9.549 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.855 0.067 -11.293 1.00 0.00 H new ATOM 0 HG SER A 92 -2.661 -1.764 -10.556 1.00 0.00 H new ATOM 1491 N TYR A 93 -3.682 3.151 -11.593 1.00 0.00 N ATOM 1492 CA TYR A 93 -3.915 3.946 -12.771 1.00 0.00 C ATOM 1493 C TYR A 93 -3.049 5.182 -12.698 1.00 0.00 C ATOM 1494 O TYR A 93 -2.233 5.466 -13.561 1.00 0.00 O ATOM 1495 CB TYR A 93 -5.376 4.381 -12.799 1.00 0.00 C ATOM 1496 CG TYR A 93 -6.327 3.221 -12.683 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -5.890 1.896 -12.932 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -7.675 3.448 -12.318 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -6.791 0.813 -12.819 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -8.577 2.365 -12.204 1.00 0.00 C ATOM 1501 CZ TYR A 93 -8.134 1.048 -12.455 1.00 0.00 C ATOM 1502 OH TYR A 93 -9.015 -0.009 -12.345 1.00 0.00 O ATOM 0 H TYR A 93 -4.295 3.355 -10.804 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.680 3.366 -13.663 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.559 5.079 -11.982 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.574 4.917 -13.727 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.863 1.713 -13.210 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.017 4.454 -12.125 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.452 -0.194 -13.011 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.605 2.545 -11.925 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.748 0.238 -11.744 1.00 0.00 H new ATOM 1512 N LYS A 94 -3.353 5.908 -11.615 1.00 0.00 N ATOM 1513 CA LYS A 94 -2.658 7.127 -11.343 1.00 0.00 C ATOM 1514 C LYS A 94 -2.162 7.178 -9.915 1.00 0.00 C ATOM 1515 O LYS A 94 -2.336 6.276 -9.107 1.00 0.00 O ATOM 1516 CB LYS A 94 -3.646 8.247 -11.507 1.00 0.00 C ATOM 1517 CG LYS A 94 -4.937 7.950 -10.731 1.00 0.00 C ATOM 1518 CD LYS A 94 -6.001 9.019 -10.971 1.00 0.00 C ATOM 1519 CE LYS A 94 -6.918 8.640 -12.135 1.00 0.00 C ATOM 1520 NZ LYS A 94 -7.917 9.665 -12.412 1.00 0.00 N ATOM 0 H LYS A 94 -4.070 5.659 -10.933 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.805 7.204 -12.017 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.208 9.180 -11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.875 8.385 -12.564 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.326 6.977 -11.031 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.715 7.891 -9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.595 9.154 -10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.519 9.974 -11.181 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.316 8.472 -13.028 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.420 7.700 -11.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.514 9.362 -13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.510 9.808 -11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.441 10.557 -12.656 1.00 0.00 H new ATOM 1534 N ALA A 95 -1.542 8.331 -9.691 1.00 0.00 N ATOM 1535 CA ALA A 95 -1.025 8.620 -8.369 1.00 0.00 C ATOM 1536 C ALA A 95 -2.174 9.141 -7.502 1.00 0.00 C ATOM 1537 O ALA A 95 -2.361 8.739 -6.363 1.00 0.00 O ATOM 1538 CB ALA A 95 0.086 9.662 -8.472 1.00 0.00 C ATOM 0 H ALA A 95 -1.390 9.059 -10.389 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.610 7.719 -7.917 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.475 9.879 -7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.890 9.276 -9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.312 10.576 -8.913 1.00 0.00 H new ATOM 1544 N ASP A 96 -2.940 10.054 -8.133 1.00 0.00 N ATOM 1545 CA ASP A 96 -4.077 10.630 -7.417 1.00 0.00 C ATOM 1546 C ASP A 96 -3.619 11.607 -6.335 1.00 0.00 C ATOM 1547 O ASP A 96 -4.403 12.322 -5.722 1.00 0.00 O ATOM 1548 CB ASP A 96 -4.889 9.513 -6.806 1.00 0.00 C ATOM 1549 CG ASP A 96 -6.313 9.541 -7.363 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -6.824 10.632 -7.613 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -6.896 8.474 -7.541 1.00 0.00 O ATOM 0 H ASP A 96 -2.798 10.389 -9.086 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.689 11.191 -8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.423 8.552 -7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.911 9.619 -5.721 1.00 0.00 H new ATOM 1556 N GLY A 97 -2.306 11.576 -6.158 1.00 0.00 N ATOM 1557 CA GLY A 97 -1.697 12.442 -5.166 1.00 0.00 C ATOM 1558 C GLY A 97 -0.320 11.926 -4.728 1.00 0.00 C ATOM 1559 O GLY A 97 0.518 12.673 -4.237 1.00 0.00 O ATOM 0 H GLY A 97 -1.660 10.978 -6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.595 13.447 -5.574 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.351 12.516 -4.297 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.148 10.604 -4.934 1.00 0.00 N ATOM 1564 CA LEU A 98 1.106 10.000 -4.548 1.00 0.00 C ATOM 1565 C LEU A 98 2.245 10.812 -5.143 1.00 0.00 C ATOM 1566 O LEU A 98 2.046 11.849 -5.764 1.00 0.00 O ATOM 1567 CB LEU A 98 1.175 8.584 -5.109 1.00 0.00 C ATOM 1568 CG LEU A 98 -0.033 7.750 -4.716 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -0.126 6.513 -5.601 1.00 0.00 C ATOM 1570 CD2 LEU A 98 0.066 7.355 -3.244 1.00 0.00 C ATOM 0 H LEU A 98 -0.836 9.974 -5.347 1.00 0.00 H new ATOM 0 HA LEU A 98 1.184 9.975 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.245 8.629 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.082 8.097 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.938 8.341 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.995 5.923 -5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.226 6.818 -6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.776 5.913 -5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.803 6.757 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.973 6.772 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.099 8.253 -2.628 1.00 0.00 H new ATOM 1582 N LEU A 99 3.449 10.267 -4.922 1.00 0.00 N ATOM 1583 CA LEU A 99 4.604 10.916 -5.504 1.00 0.00 C ATOM 1584 C LEU A 99 4.519 10.715 -7.019 1.00 0.00 C ATOM 1585 O LEU A 99 4.728 11.622 -7.816 1.00 0.00 O ATOM 1586 CB LEU A 99 5.880 10.294 -4.947 1.00 0.00 C ATOM 1587 CG LEU A 99 7.005 11.320 -4.839 1.00 0.00 C ATOM 1588 CD1 LEU A 99 7.092 12.151 -6.116 1.00 0.00 C ATOM 1589 CD2 LEU A 99 6.783 12.226 -3.628 1.00 0.00 C ATOM 0 H LEU A 99 3.633 9.426 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 99 4.622 11.979 -5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.679 9.869 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.196 9.473 -5.591 1.00 0.00 H new ATOM 0 HG LEU A 99 7.948 10.789 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.899 12.878 -6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.290 11.495 -6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.149 12.674 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.593 12.953 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.833 12.750 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.764 11.622 -2.721 1.00 0.00 H new ATOM 1601 N ARG A 100 4.189 9.446 -7.341 1.00 0.00 N ATOM 1602 CA ARG A 100 4.033 9.073 -8.726 1.00 0.00 C ATOM 1603 C ARG A 100 3.107 7.855 -8.795 1.00 0.00 C ATOM 1604 O ARG A 100 2.965 7.101 -7.841 1.00 0.00 O ATOM 1605 CB ARG A 100 5.395 8.739 -9.308 1.00 0.00 C ATOM 1606 CG ARG A 100 5.376 8.749 -10.838 1.00 0.00 C ATOM 1607 CD ARG A 100 4.744 10.029 -11.385 1.00 0.00 C ATOM 1608 NE ARG A 100 5.298 11.191 -10.716 1.00 0.00 N ATOM 1609 CZ ARG A 100 6.450 11.715 -11.174 1.00 0.00 C ATOM 1610 NH1 ARG A 100 7.061 11.170 -12.223 1.00 0.00 N ATOM 1611 NH2 ARG A 100 6.979 12.779 -10.577 1.00 0.00 N ATOM 0 H ARG A 100 4.033 8.695 -6.668 1.00 0.00 H new ATOM 0 HA ARG A 100 3.600 9.891 -9.301 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.130 9.459 -8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.711 7.757 -8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.394 8.655 -11.216 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.820 7.884 -11.201 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.921 10.100 -12.458 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.664 9.999 -11.242 1.00 0.00 H new ATOM 0 HE ARG A 100 4.823 11.603 -9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.656 10.354 -12.682 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.934 11.569 -12.569 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.512 13.197 -9.773 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.852 13.177 -10.923 1.00 0.00 H new ATOM 1625 N VAL A 101 2.491 7.721 -9.978 1.00 0.00 N ATOM 1626 CA VAL A 101 1.591 6.613 -10.180 1.00 0.00 C ATOM 1627 C VAL A 101 2.247 5.311 -9.721 1.00 0.00 C ATOM 1628 O VAL A 101 3.417 5.257 -9.363 1.00 0.00 O ATOM 1629 CB VAL A 101 1.303 6.503 -11.664 1.00 0.00 C ATOM 1630 CG1 VAL A 101 0.035 5.719 -11.886 1.00 0.00 C ATOM 1631 CG2 VAL A 101 1.197 7.886 -12.314 1.00 0.00 C ATOM 0 H VAL A 101 2.603 8.349 -10.774 1.00 0.00 H new ATOM 0 HA VAL A 101 0.677 6.778 -9.610 1.00 0.00 H new ATOM 0 HB VAL A 101 2.134 5.978 -12.134 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.164 5.645 -12.955 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.148 4.719 -11.468 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.797 6.226 -11.396 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.990 7.773 -13.378 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.389 8.448 -11.845 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.136 8.423 -12.182 1.00 0.00 H new ATOM 1641 N LEU A 102 1.397 4.275 -9.768 1.00 0.00 N ATOM 1642 CA LEU A 102 1.861 2.942 -9.429 1.00 0.00 C ATOM 1643 C LEU A 102 2.027 2.184 -10.726 1.00 0.00 C ATOM 1644 O LEU A 102 1.479 2.539 -11.762 1.00 0.00 O ATOM 1645 CB LEU A 102 0.839 2.229 -8.566 1.00 0.00 C ATOM 1646 CG LEU A 102 0.850 2.701 -7.113 1.00 0.00 C ATOM 1647 CD1 LEU A 102 0.979 4.216 -7.010 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -0.422 2.238 -6.413 1.00 0.00 C ATOM 0 H LEU A 102 0.414 4.339 -10.031 1.00 0.00 H new ATOM 0 HA LEU A 102 2.798 2.999 -8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.155 2.386 -8.985 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.032 1.157 -8.595 1.00 0.00 H new ATOM 0 HG LEU A 102 1.721 2.263 -6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.983 4.510 -5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.910 4.535 -7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.137 4.688 -7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.411 2.576 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.290 2.656 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.476 1.150 -6.439 1.00 0.00 H new ATOM 1660 N THR A 103 2.813 1.124 -10.599 1.00 0.00 N ATOM 1661 CA THR A 103 3.064 0.335 -11.777 1.00 0.00 C ATOM 1662 C THR A 103 3.326 -1.126 -11.415 1.00 0.00 C ATOM 1663 O THR A 103 2.940 -2.045 -12.127 1.00 0.00 O ATOM 1664 CB THR A 103 4.276 0.953 -12.475 1.00 0.00 C ATOM 1665 OG1 THR A 103 3.885 1.485 -13.715 1.00 0.00 O ATOM 1666 CG2 THR A 103 5.407 -0.044 -12.677 1.00 0.00 C ATOM 0 H THR A 103 3.262 0.809 -9.739 1.00 0.00 H new ATOM 0 HA THR A 103 2.195 0.340 -12.435 1.00 0.00 H new ATOM 0 HB THR A 103 4.656 1.743 -11.827 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.662 1.882 -14.160 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.241 0.448 -13.177 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.736 -0.422 -11.709 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.055 -0.874 -13.290 1.00 0.00 H new ATOM 1674 N VAL A 104 4.006 -1.277 -10.267 1.00 0.00 N ATOM 1675 CA VAL A 104 4.366 -2.641 -9.872 1.00 0.00 C ATOM 1676 C VAL A 104 4.280 -2.872 -8.362 1.00 0.00 C ATOM 1677 O VAL A 104 4.542 -1.988 -7.560 1.00 0.00 O ATOM 1678 CB VAL A 104 5.818 -2.860 -10.292 1.00 0.00 C ATOM 1679 CG1 VAL A 104 6.357 -4.197 -9.783 1.00 0.00 C ATOM 1680 CG2 VAL A 104 5.974 -2.796 -11.813 1.00 0.00 C ATOM 0 H VAL A 104 4.299 -0.529 -9.638 1.00 0.00 H new ATOM 0 HA VAL A 104 3.666 -3.328 -10.349 1.00 0.00 H new ATOM 0 HB VAL A 104 6.398 -2.055 -9.841 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.392 -4.317 -10.102 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.308 -4.218 -8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.756 -5.010 -10.190 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.019 -2.956 -12.079 1.00 0.00 H new ATOM 0 HG22 VAL A 104 5.360 -3.569 -12.275 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.654 -1.817 -12.171 1.00 0.00 H new ATOM 1690 N PRO A 105 3.895 -4.137 -8.018 1.00 0.00 N ATOM 1691 CA PRO A 105 3.861 -4.591 -6.639 1.00 0.00 C ATOM 1692 C PRO A 105 5.301 -4.768 -6.154 1.00 0.00 C ATOM 1693 O PRO A 105 6.144 -5.310 -6.856 1.00 0.00 O ATOM 1694 CB PRO A 105 3.135 -5.933 -6.653 1.00 0.00 C ATOM 1695 CG PRO A 105 2.939 -6.318 -8.129 1.00 0.00 C ATOM 1696 CD PRO A 105 3.392 -5.116 -8.968 1.00 0.00 C ATOM 0 HA PRO A 105 3.357 -3.887 -5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.716 -6.692 -6.130 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.175 -5.858 -6.142 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.523 -7.204 -8.378 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.895 -6.558 -8.330 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.166 -5.405 -9.679 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.563 -4.709 -9.547 1.00 0.00 H new ATOM 1704 N CYS A 106 5.534 -4.306 -4.925 1.00 0.00 N ATOM 1705 CA CYS A 106 6.907 -4.353 -4.452 1.00 0.00 C ATOM 1706 C CYS A 106 7.271 -5.657 -3.760 1.00 0.00 C ATOM 1707 O CYS A 106 8.155 -6.383 -4.198 1.00 0.00 O ATOM 1708 CB CYS A 106 7.155 -3.195 -3.510 1.00 0.00 C ATOM 1709 SG CYS A 106 8.812 -2.503 -3.701 1.00 0.00 S ATOM 0 H CYS A 106 4.842 -3.922 -4.282 1.00 0.00 H new ATOM 0 HA CYS A 106 7.543 -4.283 -5.335 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.415 -2.416 -3.692 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.019 -3.530 -2.482 1.00 0.00 H new ATOM 0 HG CYS A 106 9.632 -3.438 -4.081 1.00 0.00 H new ATOM 1715 N GLN A 107 6.558 -5.896 -2.649 1.00 0.00 N ATOM 1716 CA GLN A 107 6.866 -7.062 -1.870 1.00 0.00 C ATOM 1717 C GLN A 107 7.247 -8.240 -2.730 1.00 0.00 C ATOM 1718 O GLN A 107 6.973 -8.334 -3.920 1.00 0.00 O ATOM 1719 CB GLN A 107 5.699 -7.418 -1.000 1.00 0.00 C ATOM 1720 CG GLN A 107 6.150 -7.692 0.428 1.00 0.00 C ATOM 1721 CD GLN A 107 6.821 -9.062 0.529 1.00 0.00 C ATOM 1722 OE1 GLN A 107 6.430 -10.023 -0.122 1.00 0.00 O ATOM 1723 NE2 GLN A 107 7.855 -9.078 1.389 1.00 0.00 N ATOM 0 H GLN A 107 5.799 -5.314 -2.296 1.00 0.00 H new ATOM 0 HA GLN A 107 7.729 -6.821 -1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.974 -6.604 -1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.196 -8.297 -1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.845 -6.917 0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.293 -7.651 1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.114 -8.229 1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.381 -9.939 1.539 1.00 0.00 H new ATOM 1857 N GLU B 3 4.766 10.138 3.824 1.00 0.00 N ATOM 1858 CA GLU B 3 4.873 11.084 2.730 1.00 0.00 C ATOM 1859 C GLU B 3 3.549 11.809 2.622 1.00 0.00 C ATOM 1860 O GLU B 3 2.599 11.520 3.339 1.00 0.00 O ATOM 1861 CB GLU B 3 5.191 10.378 1.425 1.00 0.00 C ATOM 1862 CG GLU B 3 6.699 10.243 1.204 1.00 0.00 C ATOM 1863 CD GLU B 3 7.421 11.550 1.540 1.00 0.00 C ATOM 1864 OE1 GLU B 3 7.132 12.561 0.902 1.00 0.00 O ATOM 1865 OE2 GLU B 3 8.264 11.542 2.436 1.00 0.00 O ATOM 0 HA GLU B 3 5.685 11.785 2.924 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.734 9.388 1.427 1.00 0.00 H new ATOM 0 HB3 GLU B 3 4.750 10.931 0.596 1.00 0.00 H new ATOM 0 HG2 GLU B 3 7.091 9.437 1.825 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.895 9.971 0.167 1.00 0.00 H new ATOM 1872 N THR B 4 3.536 12.765 1.688 1.00 0.00 N ATOM 1873 CA THR B 4 2.301 13.493 1.512 1.00 0.00 C ATOM 1874 C THR B 4 1.686 13.134 0.173 1.00 0.00 C ATOM 1875 O THR B 4 2.194 13.439 -0.900 1.00 0.00 O ATOM 1876 CB THR B 4 2.543 14.992 1.632 1.00 0.00 C ATOM 1877 OG1 THR B 4 1.452 15.596 2.286 1.00 0.00 O ATOM 1878 CG2 THR B 4 2.738 15.645 0.266 1.00 0.00 C ATOM 0 H THR B 4 4.314 13.032 1.085 1.00 0.00 H new ATOM 0 HA THR B 4 1.600 13.213 2.298 1.00 0.00 H new ATOM 0 HB THR B 4 3.456 15.136 2.209 1.00 0.00 H new ATOM 0 HG1 THR B 4 1.610 16.560 2.364 1.00 0.00 H new ATOM 0 HG21 THR B 4 2.908 16.714 0.395 1.00 0.00 H new ATOM 0 HG22 THR B 4 3.599 15.198 -0.231 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.847 15.490 -0.342 1.00 0.00 H new ATOM 1886 N LEU B 5 0.554 12.454 0.344 1.00 0.00 N ATOM 1887 CA LEU B 5 -0.189 11.994 -0.787 1.00 0.00 C ATOM 1888 C LEU B 5 -0.981 13.153 -1.394 1.00 0.00 C ATOM 1889 O LEU B 5 -2.160 13.037 -1.705 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.113 10.892 -0.314 1.00 0.00 C ATOM 1891 CG LEU B 5 -0.919 9.680 -1.184 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.596 8.471 -0.605 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -1.482 9.957 -2.546 1.00 0.00 C ATOM 0 H LEU B 5 0.149 12.220 1.251 1.00 0.00 H new ATOM 0 HA LEU B 5 0.476 11.609 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.902 10.646 0.727 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.150 11.225 -0.359 1.00 0.00 H new ATOM 0 HG LEU B 5 0.149 9.473 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.435 7.615 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.180 8.258 0.380 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.665 8.662 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.344 9.082 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -2.545 10.180 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.966 10.810 -2.986 1.00 0.00 H new