USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 465 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 64 THR OG1 : rot 33:sc= 0.239 USER MOD Set 1.2: A 71 GLN : amide:sc= 0 X(o=0.24,f=0.23) USER MOD Set 2.1: A 65 CYS SG : rot 110:sc= -0.948! USER MOD Set 2.2: A 68 CYS SG : rot -39:sc= -0.695 USER MOD Set 2.3: A 81 HIS : no HD1:sc= -11.5! C(o=-14!,f=-18!) USER MOD Set 2.4: A 86 HIS : no HD1:sc= -0.662 K(o=-14,f=-16) USER MOD Set 3.1: A 37 CYS SG : rot 132:sc= 1.35 USER MOD Set 3.2: A 40 CYS SG : rot -75:sc= -0.721 USER MOD Set 3.3: A 54 HIS : no HD1:sc= -0.227 K(o=0.4,f=-0.56) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0268 K(o=-0.027,f=-1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 52:sc= -0.363 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.021 (180deg=-0.191) USER MOD Single : A 55 MET CE :methyl 168:sc= -2.66 (180deg=-3.11!) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 167:sc=-0.00513 (180deg=-0.145) USER MOD Single : A 74 SER OG : rot 21:sc= 0.445 USER MOD Single : A 78 MET CE :methyl 175:sc= 0 (180deg=-0.0145) USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= -0.248 (180deg=-0.714) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -135:sc= -4.26! (180deg=-7.8!) USER MOD Single : A 85 ASN : amide:sc= 0.182 X(o=0.18,f=0) USER MOD ----------------------------------------------------------------- ATOM 262 N SER A 20 -4.431 9.844 -0.868 1.00 0.00 N ATOM 263 CA SER A 20 -4.975 9.518 -2.181 1.00 0.00 C ATOM 264 C SER A 20 -4.358 8.231 -2.720 1.00 0.00 C ATOM 265 O SER A 20 -3.385 7.716 -2.167 1.00 0.00 O ATOM 266 CB SER A 20 -4.726 10.666 -3.160 1.00 0.00 C ATOM 267 OG SER A 20 -5.742 10.725 -4.146 1.00 0.00 O ATOM 0 HA SER A 20 -6.049 9.369 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.687 11.610 -2.616 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.756 10.535 -3.640 1.00 0.00 H new ATOM 0 HG SER A 20 -5.561 11.468 -4.758 1.00 0.00 H new ATOM 273 N LEU A 21 -4.929 7.717 -3.803 1.00 0.00 N ATOM 274 CA LEU A 21 -4.436 6.490 -4.420 1.00 0.00 C ATOM 275 C LEU A 21 -2.930 6.563 -4.649 1.00 0.00 C ATOM 276 O LEU A 21 -2.219 5.573 -4.481 1.00 0.00 O ATOM 277 CB LEU A 21 -5.154 6.239 -5.747 1.00 0.00 C ATOM 278 CG LEU A 21 -6.468 5.463 -5.663 1.00 0.00 C ATOM 279 CD1 LEU A 21 -7.196 5.499 -6.998 1.00 0.00 C ATOM 280 CD2 LEU A 21 -6.213 4.026 -5.231 1.00 0.00 C ATOM 0 H LEU A 21 -5.734 8.131 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.642 5.663 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.354 7.202 -6.217 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.477 5.697 -6.407 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.101 5.939 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.129 4.941 -6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.413 6.533 -7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.568 5.049 -7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.160 3.489 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.560 3.539 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.736 4.020 -4.251 1.00 0.00 H new ATOM 292 N GLU A 22 -2.451 7.743 -5.031 1.00 0.00 N ATOM 293 CA GLU A 22 -1.029 7.945 -5.281 1.00 0.00 C ATOM 294 C GLU A 22 -0.188 7.351 -4.154 1.00 0.00 C ATOM 295 O GLU A 22 0.653 6.484 -4.385 1.00 0.00 O ATOM 296 CB GLU A 22 -0.721 9.437 -5.430 1.00 0.00 C ATOM 297 CG GLU A 22 -0.943 9.966 -6.836 1.00 0.00 C ATOM 298 CD GLU A 22 -2.381 10.378 -7.085 1.00 0.00 C ATOM 299 OE1 GLU A 22 -3.273 9.879 -6.368 1.00 0.00 O ATOM 300 OE2 GLU A 22 -2.614 11.200 -7.996 1.00 0.00 O ATOM 0 H GLU A 22 -3.027 8.573 -5.174 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.774 7.434 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.346 9.999 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.315 9.616 -5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.289 10.822 -7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.659 9.200 -7.557 1.00 0.00 H new ATOM 307 N GLU A 23 -0.424 7.826 -2.935 1.00 0.00 N ATOM 308 CA GLU A 23 0.313 7.343 -1.773 1.00 0.00 C ATOM 309 C GLU A 23 0.456 5.824 -1.812 1.00 0.00 C ATOM 310 O GLU A 23 1.533 5.286 -1.558 1.00 0.00 O ATOM 311 CB GLU A 23 -0.393 7.766 -0.482 1.00 0.00 C ATOM 312 CG GLU A 23 0.207 7.148 0.770 1.00 0.00 C ATOM 313 CD GLU A 23 0.056 8.037 1.989 1.00 0.00 C ATOM 314 OE1 GLU A 23 0.014 9.274 1.820 1.00 0.00 O ATOM 315 OE2 GLU A 23 -0.019 7.496 3.112 1.00 0.00 O ATOM 0 H GLU A 23 -1.118 8.543 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 23 1.309 7.785 -1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.354 8.852 -0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.445 7.489 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.273 6.189 0.963 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.265 6.947 0.600 1.00 0.00 H new ATOM 322 N GLN A 24 -0.638 5.140 -2.133 1.00 0.00 N ATOM 323 CA GLN A 24 -0.634 3.684 -2.204 1.00 0.00 C ATOM 324 C GLN A 24 0.359 3.193 -3.253 1.00 0.00 C ATOM 325 O GLN A 24 1.342 2.527 -2.927 1.00 0.00 O ATOM 326 CB GLN A 24 -2.036 3.165 -2.530 1.00 0.00 C ATOM 327 CG GLN A 24 -3.114 3.706 -1.605 1.00 0.00 C ATOM 328 CD GLN A 24 -4.445 3.003 -1.787 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.494 1.818 -2.120 1.00 0.00 O ATOM 330 NE2 GLN A 24 -5.534 3.730 -1.568 1.00 0.00 N ATOM 0 H GLN A 24 -1.537 5.571 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.328 3.298 -1.232 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.283 3.431 -3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.034 2.076 -2.474 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.788 3.597 -0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.243 4.773 -1.788 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.447 4.709 -1.294 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.457 3.310 -1.674 1.00 0.00 H new ATOM 339 N TRP A 25 0.095 3.525 -4.511 1.00 0.00 N ATOM 340 CA TRP A 25 0.965 3.117 -5.608 1.00 0.00 C ATOM 341 C TRP A 25 2.433 3.289 -5.231 1.00 0.00 C ATOM 342 O TRP A 25 3.209 2.334 -5.267 1.00 0.00 O ATOM 343 CB TRP A 25 0.650 3.929 -6.866 1.00 0.00 C ATOM 344 CG TRP A 25 -0.787 3.845 -7.282 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.639 2.797 -7.081 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.540 4.849 -7.971 1.00 0.00 C ATOM 347 NE1 TRP A 25 -2.876 3.089 -7.604 1.00 0.00 N ATOM 348 CE2 TRP A 25 -2.841 4.342 -8.155 1.00 0.00 C ATOM 349 CE3 TRP A 25 -1.241 6.128 -8.449 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -3.839 5.070 -8.797 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -2.233 6.849 -9.087 1.00 0.00 C ATOM 352 CH2 TRP A 25 -3.519 6.319 -9.255 1.00 0.00 C ATOM 0 H TRP A 25 -0.715 4.076 -4.797 1.00 0.00 H new ATOM 0 HA TRP A 25 0.782 2.062 -5.811 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.910 4.973 -6.691 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.279 3.577 -7.684 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.379 1.874 -6.584 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.688 2.472 -7.585 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.253 6.545 -8.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.831 4.663 -8.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.013 7.838 -9.462 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -4.273 6.908 -9.756 1.00 0.00 H new ATOM 363 N TYR A 26 2.806 4.512 -4.871 1.00 0.00 N ATOM 364 CA TYR A 26 4.182 4.809 -4.489 1.00 0.00 C ATOM 365 C TYR A 26 4.786 3.659 -3.689 1.00 0.00 C ATOM 366 O TYR A 26 5.924 3.251 -3.929 1.00 0.00 O ATOM 367 CB TYR A 26 4.239 6.100 -3.670 1.00 0.00 C ATOM 368 CG TYR A 26 5.616 6.416 -3.133 1.00 0.00 C ATOM 369 CD1 TYR A 26 6.615 6.899 -3.970 1.00 0.00 C ATOM 370 CD2 TYR A 26 5.919 6.232 -1.790 1.00 0.00 C ATOM 371 CE1 TYR A 26 7.876 7.189 -3.484 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.177 6.520 -1.295 1.00 0.00 C ATOM 373 CZ TYR A 26 8.151 6.998 -2.146 1.00 0.00 C ATOM 374 OH TYR A 26 9.405 7.286 -1.657 1.00 0.00 O ATOM 0 H TYR A 26 2.176 5.313 -4.836 1.00 0.00 H new ATOM 0 HA TYR A 26 4.765 4.939 -5.401 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.901 6.930 -4.291 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.542 6.022 -2.836 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.402 7.050 -5.018 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.158 5.857 -1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.641 7.563 -4.148 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.396 6.372 -0.248 1.00 0.00 H new ATOM 0 HH TYR A 26 9.433 7.097 -0.696 1.00 0.00 H new ATOM 384 N LEU A 27 4.017 3.140 -2.739 1.00 0.00 N ATOM 385 CA LEU A 27 4.475 2.036 -1.903 1.00 0.00 C ATOM 386 C LEU A 27 4.884 0.840 -2.756 1.00 0.00 C ATOM 387 O LEU A 27 5.963 0.277 -2.575 1.00 0.00 O ATOM 388 CB LEU A 27 3.376 1.624 -0.921 1.00 0.00 C ATOM 389 CG LEU A 27 2.905 2.706 0.052 1.00 0.00 C ATOM 390 CD1 LEU A 27 1.620 2.279 0.744 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.988 3.010 1.075 1.00 0.00 C ATOM 0 H LEU A 27 3.074 3.466 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 27 5.347 2.374 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.515 1.279 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.735 0.773 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 27 2.703 3.615 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.300 3.061 1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.843 2.112 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.794 1.357 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.636 3.782 1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.222 2.106 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.884 3.360 0.563 1.00 0.00 H new ATOM 403 N GLU A 28 4.015 0.459 -3.687 1.00 0.00 N ATOM 404 CA GLU A 28 4.288 -0.670 -4.570 1.00 0.00 C ATOM 405 C GLU A 28 5.637 -0.503 -5.264 1.00 0.00 C ATOM 406 O GLU A 28 6.251 -1.481 -5.693 1.00 0.00 O ATOM 407 CB GLU A 28 3.179 -0.810 -5.614 1.00 0.00 C ATOM 408 CG GLU A 28 1.869 -1.329 -5.044 1.00 0.00 C ATOM 409 CD GLU A 28 1.989 -2.739 -4.497 1.00 0.00 C ATOM 410 OE1 GLU A 28 2.396 -2.888 -3.326 1.00 0.00 O ATOM 411 OE2 GLU A 28 1.676 -3.692 -5.241 1.00 0.00 O ATOM 0 H GLU A 28 3.117 0.915 -3.850 1.00 0.00 H new ATOM 0 HA GLU A 28 4.320 -1.574 -3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.004 0.160 -6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.516 -1.484 -6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.533 -0.662 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.105 -1.309 -5.821 1.00 0.00 H new ATOM 418 N ILE A 29 6.091 0.741 -5.372 1.00 0.00 N ATOM 419 CA ILE A 29 7.366 1.035 -6.013 1.00 0.00 C ATOM 420 C ILE A 29 8.506 1.026 -5.000 1.00 0.00 C ATOM 421 O ILE A 29 9.634 0.653 -5.322 1.00 0.00 O ATOM 422 CB ILE A 29 7.337 2.401 -6.724 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.056 2.543 -7.549 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.563 2.564 -7.609 1.00 0.00 C ATOM 425 CD1 ILE A 29 5.585 3.974 -7.692 1.00 0.00 C ATOM 0 H ILE A 29 5.595 1.561 -5.024 1.00 0.00 H new ATOM 0 HA ILE A 29 7.535 0.253 -6.753 1.00 0.00 H new ATOM 0 HB ILE A 29 7.351 3.187 -5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.224 2.123 -8.541 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.266 1.954 -7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.528 3.534 -8.104 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.464 2.501 -6.998 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.578 1.774 -8.360 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.673 3.999 -8.288 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.385 4.392 -6.705 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.357 4.564 -8.186 1.00 0.00 H new ATOM 437 N VAL A 30 8.203 1.439 -3.773 1.00 0.00 N ATOM 438 CA VAL A 30 9.202 1.476 -2.711 1.00 0.00 C ATOM 439 C VAL A 30 9.314 0.124 -2.015 1.00 0.00 C ATOM 440 O VAL A 30 10.277 -0.136 -1.294 1.00 0.00 O ATOM 441 CB VAL A 30 8.867 2.555 -1.664 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.306 3.798 -2.338 1.00 0.00 C ATOM 443 CG2 VAL A 30 7.890 2.010 -0.633 1.00 0.00 C ATOM 0 H VAL A 30 7.275 1.752 -3.490 1.00 0.00 H new ATOM 0 HA VAL A 30 10.155 1.719 -3.180 1.00 0.00 H new ATOM 0 HB VAL A 30 9.786 2.835 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.075 4.549 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.043 4.198 -3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.397 3.539 -2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.664 2.785 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.971 1.701 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.335 1.152 -0.128 1.00 0.00 H new ATOM 453 N ASP A 31 8.323 -0.732 -2.235 1.00 0.00 N ATOM 454 CA ASP A 31 8.310 -2.059 -1.630 1.00 0.00 C ATOM 455 C ASP A 31 8.604 -3.134 -2.672 1.00 0.00 C ATOM 456 O ASP A 31 9.490 -3.969 -2.486 1.00 0.00 O ATOM 457 CB ASP A 31 6.958 -2.328 -0.968 1.00 0.00 C ATOM 458 CG ASP A 31 7.074 -3.240 0.237 1.00 0.00 C ATOM 459 OD1 ASP A 31 8.003 -3.037 1.048 1.00 0.00 O ATOM 460 OD2 ASP A 31 6.237 -4.156 0.371 1.00 0.00 O ATOM 0 H ASP A 31 7.518 -0.531 -2.828 1.00 0.00 H new ATOM 0 HA ASP A 31 9.090 -2.093 -0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.512 -1.382 -0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.283 -2.778 -1.696 1.00 0.00 H new ATOM 465 N LYS A 32 7.853 -3.110 -3.768 1.00 0.00 N ATOM 466 CA LYS A 32 8.032 -4.081 -4.840 1.00 0.00 C ATOM 467 C LYS A 32 9.052 -3.585 -5.859 1.00 0.00 C ATOM 468 O LYS A 32 9.911 -4.342 -6.312 1.00 0.00 O ATOM 469 CB LYS A 32 6.696 -4.358 -5.533 1.00 0.00 C ATOM 470 CG LYS A 32 5.511 -4.380 -4.583 1.00 0.00 C ATOM 471 CD LYS A 32 5.388 -5.718 -3.875 1.00 0.00 C ATOM 472 CE LYS A 32 6.217 -5.752 -2.600 1.00 0.00 C ATOM 473 NZ LYS A 32 6.263 -7.116 -2.004 1.00 0.00 N ATOM 0 H LYS A 32 7.114 -2.428 -3.937 1.00 0.00 H new ATOM 0 HA LYS A 32 8.405 -5.006 -4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.526 -3.597 -6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.756 -5.317 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.621 -3.586 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.595 -4.175 -5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.342 -5.909 -3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.713 -6.516 -4.543 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.231 -5.416 -2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.798 -5.053 -1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.837 -7.097 -1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.298 -7.427 -1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.686 -7.778 -2.685 1.00 0.00 H new ATOM 487 N GLY A 33 8.953 -2.308 -6.216 1.00 0.00 N ATOM 488 CA GLY A 33 9.875 -1.733 -7.178 1.00 0.00 C ATOM 489 C GLY A 33 9.172 -1.221 -8.420 1.00 0.00 C ATOM 490 O GLY A 33 9.804 -0.649 -9.308 1.00 0.00 O ATOM 0 H GLY A 33 8.251 -1.662 -5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.420 -0.914 -6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.611 -2.484 -7.464 1.00 0.00 H new ATOM 494 N SER A 34 7.860 -1.426 -8.483 1.00 0.00 N ATOM 495 CA SER A 34 7.072 -0.986 -9.627 1.00 0.00 C ATOM 496 C SER A 34 5.581 -1.018 -9.304 1.00 0.00 C ATOM 497 O SER A 34 5.101 -1.922 -8.620 1.00 0.00 O ATOM 498 CB SER A 34 7.361 -1.869 -10.843 1.00 0.00 C ATOM 499 OG SER A 34 7.229 -3.242 -10.519 1.00 0.00 O ATOM 0 H SER A 34 7.321 -1.894 -7.755 1.00 0.00 H new ATOM 0 HA SER A 34 7.354 0.041 -9.858 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.676 -1.615 -11.652 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.370 -1.673 -11.207 1.00 0.00 H new ATOM 0 HG SER A 34 7.417 -3.785 -11.313 1.00 0.00 H new ATOM 505 N VAL A 35 4.853 -0.023 -9.801 1.00 0.00 N ATOM 506 CA VAL A 35 3.416 0.064 -9.568 1.00 0.00 C ATOM 507 C VAL A 35 2.633 -0.523 -10.736 1.00 0.00 C ATOM 508 O VAL A 35 2.965 -0.292 -11.898 1.00 0.00 O ATOM 509 CB VAL A 35 2.971 1.522 -9.346 1.00 0.00 C ATOM 510 CG1 VAL A 35 3.331 2.379 -10.550 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.477 1.585 -9.064 1.00 0.00 C ATOM 0 H VAL A 35 5.235 0.734 -10.368 1.00 0.00 H new ATOM 0 HA VAL A 35 3.206 -0.513 -8.668 1.00 0.00 H new ATOM 0 HB VAL A 35 3.499 1.917 -8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.009 3.406 -10.375 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.410 2.358 -10.702 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.832 1.988 -11.437 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.179 2.622 -8.910 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.929 1.173 -9.911 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.251 1.006 -8.169 1.00 0.00 H new ATOM 521 N SER A 36 1.590 -1.284 -10.419 1.00 0.00 N ATOM 522 CA SER A 36 0.760 -1.908 -11.443 1.00 0.00 C ATOM 523 C SER A 36 -0.480 -1.066 -11.725 1.00 0.00 C ATOM 524 O SER A 36 -0.939 -0.309 -10.869 1.00 0.00 O ATOM 525 CB SER A 36 0.346 -3.315 -11.007 1.00 0.00 C ATOM 526 OG SER A 36 -0.170 -4.056 -12.098 1.00 0.00 O ATOM 0 H SER A 36 1.300 -1.483 -9.462 1.00 0.00 H new ATOM 0 HA SER A 36 1.347 -1.977 -12.359 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.205 -3.835 -10.584 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.406 -3.249 -10.220 1.00 0.00 H new ATOM 0 HG SER A 36 -0.426 -4.952 -11.793 1.00 0.00 H new ATOM 532 N CYS A 37 -1.019 -1.202 -12.932 1.00 0.00 N ATOM 533 CA CYS A 37 -2.206 -0.455 -13.330 1.00 0.00 C ATOM 534 C CYS A 37 -3.345 -0.674 -12.338 1.00 0.00 C ATOM 535 O CYS A 37 -3.814 -1.793 -12.131 1.00 0.00 O ATOM 536 CB CYS A 37 -2.650 -0.871 -14.733 1.00 0.00 C ATOM 537 SG CYS A 37 -3.922 0.210 -15.462 1.00 0.00 S ATOM 0 H CYS A 37 -0.652 -1.824 -13.652 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.952 0.605 -13.336 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.780 -0.883 -15.389 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.034 -1.890 -14.694 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.574 0.534 -16.672 1.00 0.00 H new ATOM 542 N PRO A 38 -3.800 0.420 -11.709 1.00 0.00 N ATOM 543 CA PRO A 38 -4.890 0.373 -10.729 1.00 0.00 C ATOM 544 C PRO A 38 -6.236 0.063 -11.374 1.00 0.00 C ATOM 545 O PRO A 38 -7.262 -0.003 -10.695 1.00 0.00 O ATOM 546 CB PRO A 38 -4.894 1.784 -10.136 1.00 0.00 C ATOM 547 CG PRO A 38 -4.299 2.643 -11.198 1.00 0.00 C ATOM 548 CD PRO A 38 -3.288 1.786 -11.906 1.00 0.00 C ATOM 0 HA PRO A 38 -4.741 -0.415 -9.990 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.905 2.106 -9.887 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.310 1.829 -9.217 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.065 2.995 -11.889 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.828 3.526 -10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.217 2.040 -12.964 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.291 1.907 -11.481 1.00 0.00 H new ATOM 556 N THR A 39 -6.227 -0.128 -12.690 1.00 0.00 N ATOM 557 CA THR A 39 -7.448 -0.431 -13.427 1.00 0.00 C ATOM 558 C THR A 39 -7.421 -1.853 -13.974 1.00 0.00 C ATOM 559 O THR A 39 -8.278 -2.674 -13.643 1.00 0.00 O ATOM 560 CB THR A 39 -7.658 0.552 -14.593 1.00 0.00 C ATOM 561 OG1 THR A 39 -7.639 1.899 -14.108 1.00 0.00 O ATOM 562 CG2 THR A 39 -8.979 0.280 -15.299 1.00 0.00 C ATOM 0 H THR A 39 -5.387 -0.078 -13.267 1.00 0.00 H new ATOM 0 HA THR A 39 -8.275 -0.331 -12.724 1.00 0.00 H new ATOM 0 HB THR A 39 -6.847 0.412 -15.307 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.772 2.518 -14.856 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.106 0.987 -16.119 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.979 -0.736 -15.693 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.800 0.395 -14.591 1.00 0.00 H new ATOM 570 N CYS A 40 -6.432 -2.141 -14.814 1.00 0.00 N ATOM 571 CA CYS A 40 -6.293 -3.465 -15.408 1.00 0.00 C ATOM 572 C CYS A 40 -5.369 -4.343 -14.570 1.00 0.00 C ATOM 573 O CYS A 40 -5.438 -5.570 -14.632 1.00 0.00 O ATOM 574 CB CYS A 40 -5.751 -3.352 -16.835 1.00 0.00 C ATOM 575 SG CYS A 40 -4.039 -2.739 -16.933 1.00 0.00 S ATOM 0 H CYS A 40 -5.715 -1.474 -15.099 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.279 -3.929 -15.436 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.803 -4.331 -17.311 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.397 -2.686 -17.406 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.022 -1.460 -16.700 1.00 0.00 H new ATOM 580 N GLN A 41 -4.506 -3.705 -13.786 1.00 0.00 N ATOM 581 CA GLN A 41 -3.568 -4.428 -12.935 1.00 0.00 C ATOM 582 C GLN A 41 -2.868 -5.535 -13.715 1.00 0.00 C ATOM 583 O GLN A 41 -2.725 -6.656 -13.228 1.00 0.00 O ATOM 584 CB GLN A 41 -4.295 -5.020 -11.727 1.00 0.00 C ATOM 585 CG GLN A 41 -4.941 -3.974 -10.832 1.00 0.00 C ATOM 586 CD GLN A 41 -5.556 -4.574 -9.583 1.00 0.00 C ATOM 587 OE1 GLN A 41 -6.075 -5.690 -9.608 1.00 0.00 O ATOM 588 NE2 GLN A 41 -5.500 -3.834 -8.482 1.00 0.00 N ATOM 0 H GLN A 41 -4.437 -2.689 -13.722 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.814 -3.722 -12.586 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.063 -5.710 -12.078 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.587 -5.603 -11.138 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.193 -3.235 -10.545 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.711 -3.446 -11.394 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.060 -2.914 -8.508 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.897 -4.185 -7.611 1.00 0.00 H new ATOM 597 N ALA A 42 -2.433 -5.214 -14.929 1.00 0.00 N ATOM 598 CA ALA A 42 -1.746 -6.181 -15.776 1.00 0.00 C ATOM 599 C ALA A 42 -0.375 -5.665 -16.199 1.00 0.00 C ATOM 600 O ALA A 42 0.569 -6.439 -16.358 1.00 0.00 O ATOM 601 CB ALA A 42 -2.591 -6.504 -17.000 1.00 0.00 C ATOM 0 H ALA A 42 -2.544 -4.291 -15.348 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.599 -7.093 -15.198 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.066 -7.227 -17.624 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.546 -6.924 -16.683 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.767 -5.593 -17.571 1.00 0.00 H new ATOM 607 N VAL A 43 -0.272 -4.352 -16.380 1.00 0.00 N ATOM 608 CA VAL A 43 0.985 -3.732 -16.784 1.00 0.00 C ATOM 609 C VAL A 43 1.225 -2.432 -16.025 1.00 0.00 C ATOM 610 O VAL A 43 0.289 -1.690 -15.731 1.00 0.00 O ATOM 611 CB VAL A 43 1.007 -3.443 -18.296 1.00 0.00 C ATOM 612 CG1 VAL A 43 0.942 -4.739 -19.089 1.00 0.00 C ATOM 613 CG2 VAL A 43 -0.137 -2.516 -18.678 1.00 0.00 C ATOM 0 H VAL A 43 -1.044 -3.697 -16.253 1.00 0.00 H new ATOM 0 HA VAL A 43 1.779 -4.440 -16.546 1.00 0.00 H new ATOM 0 HB VAL A 43 1.945 -2.944 -18.539 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.959 -4.514 -20.155 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.799 -5.363 -18.836 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.022 -5.270 -18.844 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.106 -2.322 -19.750 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.087 -2.985 -18.421 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.039 -1.575 -18.137 1.00 0.00 H new ATOM 623 N GLY A 44 2.489 -2.162 -15.709 1.00 0.00 N ATOM 624 CA GLY A 44 2.830 -0.951 -14.987 1.00 0.00 C ATOM 625 C GLY A 44 4.213 -0.438 -15.336 1.00 0.00 C ATOM 626 O GLY A 44 4.701 -0.656 -16.445 1.00 0.00 O ATOM 0 H GLY A 44 3.282 -2.761 -15.940 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.093 -0.179 -15.209 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.777 -1.143 -13.915 1.00 0.00 H new ATOM 630 N ARG A 45 4.846 0.246 -14.388 1.00 0.00 N ATOM 631 CA ARG A 45 6.180 0.793 -14.603 1.00 0.00 C ATOM 632 C ARG A 45 6.942 0.900 -13.285 1.00 0.00 C ATOM 633 O ARG A 45 6.457 0.471 -12.238 1.00 0.00 O ATOM 634 CB ARG A 45 6.089 2.170 -15.264 1.00 0.00 C ATOM 635 CG ARG A 45 5.931 2.110 -16.775 1.00 0.00 C ATOM 636 CD ARG A 45 6.609 3.290 -17.453 1.00 0.00 C ATOM 637 NE ARG A 45 8.044 3.325 -17.185 1.00 0.00 N ATOM 638 CZ ARG A 45 8.933 3.864 -18.011 1.00 0.00 C ATOM 639 NH1 ARG A 45 8.537 4.411 -19.152 1.00 0.00 N ATOM 640 NH2 ARG A 45 10.222 3.858 -17.697 1.00 0.00 N ATOM 0 H ARG A 45 4.456 0.434 -13.464 1.00 0.00 H new ATOM 0 HA ARG A 45 6.722 0.115 -15.263 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.244 2.712 -14.840 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.987 2.740 -15.023 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.357 1.179 -17.150 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.872 2.101 -17.031 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.442 3.235 -18.529 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.153 4.218 -17.107 1.00 0.00 H new ATOM 0 HE ARG A 45 8.382 2.913 -16.315 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.547 4.419 -19.397 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.222 4.824 -19.784 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.531 3.439 -16.820 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.904 4.272 -18.333 1.00 0.00 H new ATOM 654 N LYS A 46 8.139 1.474 -13.344 1.00 0.00 N ATOM 655 CA LYS A 46 8.969 1.638 -12.157 1.00 0.00 C ATOM 656 C LYS A 46 8.727 2.997 -11.508 1.00 0.00 C ATOM 657 O LYS A 46 9.634 3.585 -10.917 1.00 0.00 O ATOM 658 CB LYS A 46 10.448 1.490 -12.519 1.00 0.00 C ATOM 659 CG LYS A 46 10.904 0.046 -12.638 1.00 0.00 C ATOM 660 CD LYS A 46 12.342 -0.048 -13.119 1.00 0.00 C ATOM 661 CE LYS A 46 13.323 0.333 -12.021 1.00 0.00 C ATOM 662 NZ LYS A 46 13.520 -0.774 -11.045 1.00 0.00 N ATOM 0 H LYS A 46 8.556 1.834 -14.203 1.00 0.00 H new ATOM 0 HA LYS A 46 8.697 0.860 -11.443 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.635 2.000 -13.464 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.051 1.991 -11.762 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.810 -0.447 -11.670 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.252 -0.486 -13.331 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.548 -1.064 -13.456 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.483 0.608 -13.978 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.281 0.599 -12.467 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.958 1.217 -11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.195 -0.475 -10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.610 -1.011 -10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.893 -1.610 -11.539 1.00 0.00 H new ATOM 676 N THR A 47 7.498 3.492 -11.620 1.00 0.00 N ATOM 677 CA THR A 47 7.138 4.781 -11.044 1.00 0.00 C ATOM 678 C THR A 47 5.648 5.058 -11.207 1.00 0.00 C ATOM 679 O THR A 47 4.914 4.247 -11.773 1.00 0.00 O ATOM 680 CB THR A 47 7.936 5.928 -11.691 1.00 0.00 C ATOM 681 OG1 THR A 47 7.589 7.174 -11.076 1.00 0.00 O ATOM 682 CG2 THR A 47 7.663 6.001 -13.186 1.00 0.00 C ATOM 0 H THR A 47 6.735 3.019 -12.105 1.00 0.00 H new ATOM 0 HA THR A 47 7.382 4.733 -9.983 1.00 0.00 H new ATOM 0 HB THR A 47 8.998 5.732 -11.541 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.675 7.094 -10.103 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.238 6.819 -13.621 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.955 5.062 -13.656 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.600 6.175 -13.354 1.00 0.00 H new ATOM 690 N ILE A 48 5.207 6.208 -10.709 1.00 0.00 N ATOM 691 CA ILE A 48 3.804 6.593 -10.802 1.00 0.00 C ATOM 692 C ILE A 48 3.590 7.631 -11.899 1.00 0.00 C ATOM 693 O ILE A 48 2.455 7.958 -12.243 1.00 0.00 O ATOM 694 CB ILE A 48 3.286 7.159 -9.467 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.743 6.278 -8.302 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.768 7.269 -9.491 1.00 0.00 C ATOM 697 CD1 ILE A 48 3.380 6.836 -6.944 1.00 0.00 C ATOM 0 H ILE A 48 5.801 6.890 -10.237 1.00 0.00 H new ATOM 0 HA ILE A 48 3.245 5.690 -11.046 1.00 0.00 H new ATOM 0 HB ILE A 48 3.701 8.157 -9.328 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.299 5.288 -8.410 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.824 6.150 -8.356 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.417 7.671 -8.540 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.464 7.933 -10.300 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.334 6.282 -9.650 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.735 6.160 -6.166 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.846 7.813 -6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.297 6.938 -6.870 1.00 0.00 H new ATOM 709 N GLU A 49 4.688 8.143 -12.444 1.00 0.00 N ATOM 710 CA GLU A 49 4.620 9.143 -13.503 1.00 0.00 C ATOM 711 C GLU A 49 4.347 8.488 -14.854 1.00 0.00 C ATOM 712 O GLU A 49 3.451 8.903 -15.588 1.00 0.00 O ATOM 713 CB GLU A 49 5.924 9.942 -13.566 1.00 0.00 C ATOM 714 CG GLU A 49 6.189 10.569 -14.924 1.00 0.00 C ATOM 715 CD GLU A 49 7.039 11.821 -14.832 1.00 0.00 C ATOM 716 OE1 GLU A 49 8.110 11.766 -14.193 1.00 0.00 O ATOM 717 OE2 GLU A 49 6.632 12.857 -15.401 1.00 0.00 O ATOM 0 H GLU A 49 5.635 7.882 -12.170 1.00 0.00 H new ATOM 0 HA GLU A 49 3.798 9.821 -13.274 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.895 10.728 -12.812 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.755 9.285 -13.310 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.688 9.842 -15.565 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.239 10.813 -15.399 1.00 0.00 H new ATOM 724 N GLY A 50 5.128 7.460 -15.175 1.00 0.00 N ATOM 725 CA GLY A 50 4.956 6.764 -16.436 1.00 0.00 C ATOM 726 C GLY A 50 3.674 5.955 -16.482 1.00 0.00 C ATOM 727 O GLY A 50 3.117 5.721 -17.555 1.00 0.00 O ATOM 0 H GLY A 50 5.876 7.098 -14.584 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.954 7.489 -17.250 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.806 6.102 -16.601 1.00 0.00 H new ATOM 731 N LEU A 51 3.206 5.525 -15.316 1.00 0.00 N ATOM 732 CA LEU A 51 1.982 4.736 -15.226 1.00 0.00 C ATOM 733 C LEU A 51 0.751 5.619 -15.399 1.00 0.00 C ATOM 734 O LEU A 51 -0.129 5.325 -16.209 1.00 0.00 O ATOM 735 CB LEU A 51 1.918 4.009 -13.882 1.00 0.00 C ATOM 736 CG LEU A 51 0.540 3.496 -13.462 1.00 0.00 C ATOM 737 CD1 LEU A 51 0.168 2.254 -14.257 1.00 0.00 C ATOM 738 CD2 LEU A 51 0.513 3.203 -11.969 1.00 0.00 C ATOM 0 H LEU A 51 3.655 5.709 -14.419 1.00 0.00 H new ATOM 0 HA LEU A 51 1.994 4.000 -16.030 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.604 3.163 -13.916 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.284 4.684 -13.108 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.196 4.272 -13.674 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.816 1.903 -13.945 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.147 2.495 -15.320 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.906 1.472 -14.077 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.475 2.839 -11.687 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.260 2.445 -11.733 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.735 4.115 -11.415 1.00 0.00 H new ATOM 750 N LYS A 52 0.696 6.704 -14.635 1.00 0.00 N ATOM 751 CA LYS A 52 -0.426 7.634 -14.705 1.00 0.00 C ATOM 752 C LYS A 52 -0.810 7.915 -16.154 1.00 0.00 C ATOM 753 O LYS A 52 -1.988 8.069 -16.476 1.00 0.00 O ATOM 754 CB LYS A 52 -0.074 8.944 -13.996 1.00 0.00 C ATOM 755 CG LYS A 52 -0.401 8.940 -12.513 1.00 0.00 C ATOM 756 CD LYS A 52 -0.143 10.298 -11.881 1.00 0.00 C ATOM 757 CE LYS A 52 1.344 10.551 -11.692 1.00 0.00 C ATOM 758 NZ LYS A 52 1.645 12.002 -11.538 1.00 0.00 N ATOM 0 H LYS A 52 1.415 6.962 -13.959 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.278 7.175 -14.204 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.990 9.142 -14.124 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.611 9.763 -14.476 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.446 8.664 -12.371 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.200 8.183 -12.009 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.569 11.080 -12.510 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.648 10.354 -10.917 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.695 10.012 -10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.891 10.155 -12.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.669 12.133 -11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.333 12.513 -12.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.143 12.374 -10.707 1.00 0.00 H new ATOM 772 N LYS A 53 0.191 7.978 -17.025 1.00 0.00 N ATOM 773 CA LYS A 53 -0.041 8.238 -18.441 1.00 0.00 C ATOM 774 C LYS A 53 -0.712 7.042 -19.110 1.00 0.00 C ATOM 775 O LYS A 53 -1.509 7.202 -20.035 1.00 0.00 O ATOM 776 CB LYS A 53 1.279 8.555 -19.146 1.00 0.00 C ATOM 777 CG LYS A 53 1.122 9.465 -20.352 1.00 0.00 C ATOM 778 CD LYS A 53 0.816 8.672 -21.612 1.00 0.00 C ATOM 779 CE LYS A 53 0.290 9.570 -22.721 1.00 0.00 C ATOM 780 NZ LYS A 53 -1.089 10.055 -22.436 1.00 0.00 N ATOM 0 H LYS A 53 1.172 7.852 -16.775 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.705 9.099 -18.523 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.958 9.024 -18.434 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.745 7.622 -19.464 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.321 10.180 -20.167 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.036 10.041 -20.496 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.718 8.163 -21.951 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.080 7.900 -21.388 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.957 10.423 -22.844 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.295 9.023 -23.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.519 10.413 -23.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.663 9.271 -22.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.050 10.820 -21.732 1.00 0.00 H new ATOM 794 N HIS A 54 -0.386 5.844 -18.636 1.00 0.00 N ATOM 795 CA HIS A 54 -0.959 4.621 -19.187 1.00 0.00 C ATOM 796 C HIS A 54 -2.350 4.367 -18.614 1.00 0.00 C ATOM 797 O HIS A 54 -3.301 4.120 -19.355 1.00 0.00 O ATOM 798 CB HIS A 54 -0.048 3.429 -18.895 1.00 0.00 C ATOM 799 CG HIS A 54 -0.765 2.114 -18.892 1.00 0.00 C ATOM 800 ND1 HIS A 54 -0.986 1.375 -20.035 1.00 0.00 N ATOM 801 CD2 HIS A 54 -1.310 1.404 -17.876 1.00 0.00 C ATOM 802 CE1 HIS A 54 -1.638 0.270 -19.723 1.00 0.00 C ATOM 803 NE2 HIS A 54 -1.846 0.263 -18.419 1.00 0.00 N ATOM 0 H HIS A 54 0.272 5.694 -17.871 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.047 4.744 -20.266 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.747 3.398 -19.640 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.429 3.576 -17.926 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.321 1.683 -16.833 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.948 -0.498 -20.416 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.327 -0.471 -17.899 1.00 0.00 H new ATOM 811 N MET A 55 -2.459 4.427 -17.291 1.00 0.00 N ATOM 812 CA MET A 55 -3.734 4.203 -16.619 1.00 0.00 C ATOM 813 C MET A 55 -4.732 5.303 -16.967 1.00 0.00 C ATOM 814 O MET A 55 -5.937 5.060 -17.034 1.00 0.00 O ATOM 815 CB MET A 55 -3.533 4.142 -15.104 1.00 0.00 C ATOM 816 CG MET A 55 -2.891 5.393 -14.525 1.00 0.00 C ATOM 817 SD MET A 55 -4.103 6.554 -13.865 1.00 0.00 S ATOM 818 CE MET A 55 -4.867 5.556 -12.589 1.00 0.00 C ATOM 0 H MET A 55 -1.681 4.629 -16.663 1.00 0.00 H new ATOM 0 HA MET A 55 -4.135 3.250 -16.963 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.499 3.984 -14.624 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.912 3.280 -14.863 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.198 5.108 -13.733 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.304 5.887 -15.299 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.483 6.190 -11.952 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.490 4.790 -13.051 1.00 0.00 H new ATOM 0 HE3 MET A 55 -4.093 5.080 -11.987 1.00 0.00 H new ATOM 828 N GLU A 56 -4.223 6.511 -17.187 1.00 0.00 N ATOM 829 CA GLU A 56 -5.072 7.647 -17.527 1.00 0.00 C ATOM 830 C GLU A 56 -6.092 7.263 -18.595 1.00 0.00 C ATOM 831 O GLU A 56 -7.290 7.486 -18.432 1.00 0.00 O ATOM 832 CB GLU A 56 -4.220 8.820 -18.017 1.00 0.00 C ATOM 833 CG GLU A 56 -3.842 9.798 -16.918 1.00 0.00 C ATOM 834 CD GLU A 56 -4.857 10.912 -16.754 1.00 0.00 C ATOM 835 OE1 GLU A 56 -4.917 11.796 -17.635 1.00 0.00 O ATOM 836 OE2 GLU A 56 -5.593 10.900 -15.745 1.00 0.00 O ATOM 0 H GLU A 56 -3.228 6.728 -17.136 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.609 7.949 -16.628 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.310 8.431 -18.475 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.765 9.354 -18.795 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.744 9.259 -15.975 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.867 10.230 -17.141 1.00 0.00 H new ATOM 958 N THR A 64 -12.353 -8.339 -12.382 1.00 0.00 N ATOM 959 CA THR A 64 -12.453 -9.748 -12.023 1.00 0.00 C ATOM 960 C THR A 64 -12.160 -9.961 -10.542 1.00 0.00 C ATOM 961 O THR A 64 -11.085 -9.611 -10.055 1.00 0.00 O ATOM 962 CB THR A 64 -11.484 -10.610 -12.855 1.00 0.00 C ATOM 963 OG1 THR A 64 -11.564 -10.241 -14.237 1.00 0.00 O ATOM 964 CG2 THR A 64 -11.806 -12.088 -12.701 1.00 0.00 C ATOM 0 HA THR A 64 -13.477 -10.056 -12.236 1.00 0.00 H new ATOM 0 HB THR A 64 -10.472 -10.435 -12.490 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.750 -9.281 -14.309 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.109 -12.676 -13.297 1.00 0.00 H new ATOM 0 HG22 THR A 64 -11.717 -12.373 -11.653 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.824 -12.276 -13.042 1.00 0.00 H new ATOM 972 N CYS A 65 -13.123 -10.537 -9.831 1.00 0.00 N ATOM 973 CA CYS A 65 -12.969 -10.797 -8.404 1.00 0.00 C ATOM 974 C CYS A 65 -11.805 -11.749 -8.148 1.00 0.00 C ATOM 975 O CYS A 65 -11.355 -12.455 -9.051 1.00 0.00 O ATOM 976 CB CYS A 65 -14.260 -11.385 -7.830 1.00 0.00 C ATOM 977 SG CYS A 65 -14.064 -12.139 -6.183 1.00 0.00 S ATOM 0 H CYS A 65 -14.019 -10.833 -10.219 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.757 -9.850 -7.907 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -15.011 -10.597 -7.770 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.642 -12.138 -8.520 1.00 0.00 H new ATOM 0 HG CYS A 65 -14.665 -11.404 -5.295 1.00 0.00 H new ATOM 982 N HIS A 66 -11.321 -11.764 -6.909 1.00 0.00 N ATOM 983 CA HIS A 66 -10.210 -12.630 -6.533 1.00 0.00 C ATOM 984 C HIS A 66 -10.695 -13.794 -5.674 1.00 0.00 C ATOM 985 O HIS A 66 -10.222 -14.922 -5.816 1.00 0.00 O ATOM 986 CB HIS A 66 -9.147 -11.831 -5.777 1.00 0.00 C ATOM 987 CG HIS A 66 -8.845 -10.501 -6.396 1.00 0.00 C ATOM 988 ND1 HIS A 66 -9.146 -9.302 -5.786 1.00 0.00 N ATOM 989 CD2 HIS A 66 -8.263 -10.186 -7.576 1.00 0.00 C ATOM 990 CE1 HIS A 66 -8.764 -8.306 -6.565 1.00 0.00 C ATOM 991 NE2 HIS A 66 -8.225 -8.815 -7.658 1.00 0.00 N ATOM 0 H HIS A 66 -11.681 -11.186 -6.149 1.00 0.00 H new ATOM 0 HA HIS A 66 -9.771 -13.033 -7.445 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.481 -11.678 -4.751 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.229 -12.417 -5.729 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.897 -10.882 -8.316 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.874 -7.254 -6.345 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -7.843 -8.278 -8.436 1.00 0.00 H new ATOM 999 N HIS A 67 -11.640 -13.512 -4.783 1.00 0.00 N ATOM 1000 CA HIS A 67 -12.188 -14.536 -3.901 1.00 0.00 C ATOM 1001 C HIS A 67 -12.714 -15.721 -4.705 1.00 0.00 C ATOM 1002 O HIS A 67 -12.216 -16.840 -4.580 1.00 0.00 O ATOM 1003 CB HIS A 67 -13.309 -13.951 -3.041 1.00 0.00 C ATOM 1004 CG HIS A 67 -12.819 -13.043 -1.955 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -12.371 -13.502 -0.735 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -12.707 -11.694 -1.913 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -12.006 -12.475 0.012 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -12.200 -11.367 -0.680 1.00 0.00 N ATOM 0 H HIS A 67 -12.042 -12.584 -4.653 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.387 -14.887 -3.251 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.997 -13.399 -3.682 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.876 -14.767 -2.593 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.968 -11.004 -2.702 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -11.615 -12.532 1.017 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -12.005 -10.421 -0.351 1.00 0.00 H new ATOM 1016 N CYS A 68 -13.724 -15.468 -5.531 1.00 0.00 N ATOM 1017 CA CYS A 68 -14.319 -16.513 -6.355 1.00 0.00 C ATOM 1018 C CYS A 68 -13.787 -16.448 -7.784 1.00 0.00 C ATOM 1019 O CYS A 68 -13.451 -17.470 -8.380 1.00 0.00 O ATOM 1020 CB CYS A 68 -15.843 -16.383 -6.359 1.00 0.00 C ATOM 1021 SG CYS A 68 -16.458 -14.872 -7.170 1.00 0.00 S ATOM 0 H CYS A 68 -14.148 -14.547 -5.647 1.00 0.00 H new ATOM 0 HA CYS A 68 -14.045 -17.478 -5.928 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -16.270 -17.251 -6.861 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -16.201 -16.402 -5.330 1.00 0.00 H new ATOM 0 HG CYS A 68 -15.680 -13.873 -6.875 1.00 0.00 H new ATOM 1026 N GLY A 69 -13.715 -15.236 -8.327 1.00 0.00 N ATOM 1027 CA GLY A 69 -13.224 -15.059 -9.682 1.00 0.00 C ATOM 1028 C GLY A 69 -14.326 -14.686 -10.654 1.00 0.00 C ATOM 1029 O GLY A 69 -14.259 -15.018 -11.837 1.00 0.00 O ATOM 0 H GLY A 69 -13.988 -14.375 -7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.459 -14.283 -9.689 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.746 -15.980 -10.015 1.00 0.00 H new ATOM 1033 N LYS A 70 -15.345 -13.995 -10.154 1.00 0.00 N ATOM 1034 CA LYS A 70 -16.467 -13.577 -10.985 1.00 0.00 C ATOM 1035 C LYS A 70 -16.019 -12.564 -12.034 1.00 0.00 C ATOM 1036 O LYS A 70 -15.056 -11.827 -11.826 1.00 0.00 O ATOM 1037 CB LYS A 70 -17.573 -12.972 -10.117 1.00 0.00 C ATOM 1038 CG LYS A 70 -18.968 -13.170 -10.685 1.00 0.00 C ATOM 1039 CD LYS A 70 -20.001 -12.354 -9.925 1.00 0.00 C ATOM 1040 CE LYS A 70 -21.414 -12.671 -10.389 1.00 0.00 C ATOM 1041 NZ LYS A 70 -21.835 -14.042 -9.988 1.00 0.00 N ATOM 0 H LYS A 70 -15.416 -13.713 -9.176 1.00 0.00 H new ATOM 0 HA LYS A 70 -16.855 -14.457 -11.497 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.528 -13.417 -9.123 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.387 -11.905 -9.997 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.978 -12.883 -11.736 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -19.233 -14.226 -10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -19.913 -12.558 -8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.801 -11.292 -10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.106 -11.941 -9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -21.470 -12.577 -11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.861 -14.143 -10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.338 -14.743 -10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.600 -14.198 -8.987 1.00 0.00 H new ATOM 1055 N GLN A 71 -16.725 -12.535 -13.160 1.00 0.00 N ATOM 1056 CA GLN A 71 -16.399 -11.612 -14.241 1.00 0.00 C ATOM 1057 C GLN A 71 -17.652 -10.908 -14.752 1.00 0.00 C ATOM 1058 O GLN A 71 -18.427 -11.477 -15.522 1.00 0.00 O ATOM 1059 CB GLN A 71 -15.715 -12.358 -15.388 1.00 0.00 C ATOM 1060 CG GLN A 71 -14.226 -12.575 -15.171 1.00 0.00 C ATOM 1061 CD GLN A 71 -13.448 -12.628 -16.471 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -13.351 -13.677 -17.107 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -12.889 -11.492 -16.872 1.00 0.00 N ATOM 0 H GLN A 71 -17.525 -13.139 -13.347 1.00 0.00 H new ATOM 0 HA GLN A 71 -15.716 -10.859 -13.848 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -16.199 -13.326 -15.521 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -15.861 -11.799 -16.312 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.832 -11.771 -14.549 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.074 -13.505 -14.623 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.996 -10.646 -16.313 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.353 -11.466 -17.739 1.00 0.00 H new ATOM 1072 N LEU A 72 -17.845 -9.667 -14.319 1.00 0.00 N ATOM 1073 CA LEU A 72 -19.004 -8.884 -14.732 1.00 0.00 C ATOM 1074 C LEU A 72 -18.575 -7.547 -15.328 1.00 0.00 C ATOM 1075 O LEU A 72 -17.600 -6.942 -14.882 1.00 0.00 O ATOM 1076 CB LEU A 72 -19.936 -8.649 -13.542 1.00 0.00 C ATOM 1077 CG LEU A 72 -20.604 -9.894 -12.957 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -21.195 -9.589 -11.589 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -21.678 -10.417 -13.900 1.00 0.00 C ATOM 0 H LEU A 72 -17.214 -9.181 -13.682 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.537 -9.447 -15.498 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -19.367 -8.161 -12.751 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -20.716 -7.953 -13.849 1.00 0.00 H new ATOM 0 HG LEU A 72 -19.846 -10.668 -12.838 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -21.666 -10.486 -11.188 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.403 -9.263 -10.915 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -21.940 -8.799 -11.682 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -22.142 -11.303 -13.467 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -22.435 -9.648 -14.051 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -21.227 -10.675 -14.858 1.00 0.00 H new ATOM 1091 N ARG A 73 -19.310 -7.091 -16.336 1.00 0.00 N ATOM 1092 CA ARG A 73 -19.006 -5.825 -16.992 1.00 0.00 C ATOM 1093 C ARG A 73 -19.368 -4.646 -16.094 1.00 0.00 C ATOM 1094 O ARG A 73 -18.609 -3.683 -15.980 1.00 0.00 O ATOM 1095 CB ARG A 73 -19.760 -5.719 -18.319 1.00 0.00 C ATOM 1096 CG ARG A 73 -19.184 -6.595 -19.419 1.00 0.00 C ATOM 1097 CD ARG A 73 -19.853 -7.960 -19.452 1.00 0.00 C ATOM 1098 NE ARG A 73 -21.033 -7.971 -20.312 1.00 0.00 N ATOM 1099 CZ ARG A 73 -21.947 -8.934 -20.293 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -21.818 -9.959 -19.462 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -22.994 -8.873 -21.106 1.00 0.00 N ATOM 0 H ARG A 73 -20.121 -7.579 -16.717 1.00 0.00 H new ATOM 0 HA ARG A 73 -17.934 -5.795 -17.188 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -20.803 -5.992 -18.157 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -19.750 -4.681 -18.651 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -19.313 -6.102 -20.383 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.112 -6.718 -19.264 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -19.140 -8.705 -19.806 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -20.139 -8.248 -18.440 1.00 0.00 H new ATOM 0 HE ARG A 73 -21.162 -7.196 -20.963 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -21.015 -10.009 -18.835 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -22.522 -10.697 -19.450 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -23.097 -8.086 -21.746 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -23.695 -9.613 -21.091 1.00 0.00 H new ATOM 1115 N SER A 74 -20.532 -4.729 -15.458 1.00 0.00 N ATOM 1116 CA SER A 74 -20.997 -3.667 -14.573 1.00 0.00 C ATOM 1117 C SER A 74 -20.416 -3.834 -13.172 1.00 0.00 C ATOM 1118 O SER A 74 -20.621 -4.859 -12.520 1.00 0.00 O ATOM 1119 CB SER A 74 -22.525 -3.662 -14.506 1.00 0.00 C ATOM 1120 OG SER A 74 -23.015 -4.867 -13.943 1.00 0.00 O ATOM 0 H SER A 74 -21.170 -5.520 -15.539 1.00 0.00 H new ATOM 0 HA SER A 74 -20.655 -2.715 -14.978 1.00 0.00 H new ATOM 0 HB2 SER A 74 -22.863 -2.815 -13.910 1.00 0.00 H new ATOM 0 HB3 SER A 74 -22.936 -3.531 -15.507 1.00 0.00 H new ATOM 0 HG SER A 74 -22.307 -5.294 -13.417 1.00 0.00 H new ATOM 1126 N LEU A 75 -19.689 -2.821 -12.715 1.00 0.00 N ATOM 1127 CA LEU A 75 -19.078 -2.854 -11.391 1.00 0.00 C ATOM 1128 C LEU A 75 -20.123 -3.127 -10.315 1.00 0.00 C ATOM 1129 O LEU A 75 -19.912 -3.952 -9.426 1.00 0.00 O ATOM 1130 CB LEU A 75 -18.367 -1.530 -11.103 1.00 0.00 C ATOM 1131 CG LEU A 75 -17.316 -1.560 -9.992 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -16.068 -2.294 -10.458 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -16.971 -0.147 -9.547 1.00 0.00 C ATOM 0 H LEU A 75 -19.508 -1.966 -13.242 1.00 0.00 H new ATOM 0 HA LEU A 75 -18.348 -3.663 -11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.887 -1.191 -12.021 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -19.120 -0.785 -10.844 1.00 0.00 H new ATOM 0 HG LEU A 75 -17.731 -2.097 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.331 -2.305 -9.655 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.327 -3.318 -10.727 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.650 -1.785 -11.327 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.222 -0.187 -8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.575 0.415 -10.393 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -17.868 0.346 -9.172 1.00 0.00 H new ATOM 1145 N ALA A 76 -21.251 -2.430 -10.402 1.00 0.00 N ATOM 1146 CA ALA A 76 -22.331 -2.601 -9.438 1.00 0.00 C ATOM 1147 C ALA A 76 -22.672 -4.076 -9.251 1.00 0.00 C ATOM 1148 O ALA A 76 -22.443 -4.645 -8.185 1.00 0.00 O ATOM 1149 CB ALA A 76 -23.563 -1.826 -9.882 1.00 0.00 C ATOM 0 H ALA A 76 -21.441 -1.742 -11.130 1.00 0.00 H new ATOM 0 HA ALA A 76 -21.993 -2.208 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -24.361 -1.963 -9.153 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -23.319 -0.766 -9.958 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -23.893 -2.193 -10.854 1.00 0.00 H new ATOM 1155 N GLY A 77 -23.221 -4.689 -10.295 1.00 0.00 N ATOM 1156 CA GLY A 77 -23.585 -6.092 -10.224 1.00 0.00 C ATOM 1157 C GLY A 77 -22.541 -6.927 -9.508 1.00 0.00 C ATOM 1158 O GLY A 77 -22.877 -7.835 -8.750 1.00 0.00 O ATOM 0 H GLY A 77 -23.420 -4.239 -11.189 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -24.540 -6.191 -9.709 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -23.726 -6.479 -11.233 1.00 0.00 H new ATOM 1162 N MET A 78 -21.271 -6.618 -9.750 1.00 0.00 N ATOM 1163 CA MET A 78 -20.175 -7.347 -9.122 1.00 0.00 C ATOM 1164 C MET A 78 -20.079 -7.011 -7.638 1.00 0.00 C ATOM 1165 O MET A 78 -19.969 -7.902 -6.794 1.00 0.00 O ATOM 1166 CB MET A 78 -18.853 -7.020 -9.818 1.00 0.00 C ATOM 1167 CG MET A 78 -17.627 -7.429 -9.016 1.00 0.00 C ATOM 1168 SD MET A 78 -16.089 -6.835 -9.747 1.00 0.00 S ATOM 1169 CE MET A 78 -15.764 -8.127 -10.946 1.00 0.00 C ATOM 0 H MET A 78 -20.976 -5.869 -10.376 1.00 0.00 H new ATOM 0 HA MET A 78 -20.376 -8.414 -9.222 1.00 0.00 H new ATOM 0 HB2 MET A 78 -18.828 -7.521 -10.786 1.00 0.00 H new ATOM 0 HB3 MET A 78 -18.809 -5.948 -10.012 1.00 0.00 H new ATOM 0 HG2 MET A 78 -17.716 -7.042 -8.001 1.00 0.00 H new ATOM 0 HG3 MET A 78 -17.593 -8.516 -8.941 1.00 0.00 H new ATOM 0 HE1 MET A 78 -14.892 -7.859 -11.542 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.574 -9.066 -10.426 1.00 0.00 H new ATOM 0 HE3 MET A 78 -16.628 -8.242 -11.600 1.00 0.00 H new ATOM 1179 N LYS A 79 -20.120 -5.721 -7.324 1.00 0.00 N ATOM 1180 CA LYS A 79 -20.039 -5.266 -5.941 1.00 0.00 C ATOM 1181 C LYS A 79 -21.136 -5.901 -5.093 1.00 0.00 C ATOM 1182 O LYS A 79 -21.073 -5.885 -3.864 1.00 0.00 O ATOM 1183 CB LYS A 79 -20.148 -3.741 -5.876 1.00 0.00 C ATOM 1184 CG LYS A 79 -18.973 -3.019 -6.513 1.00 0.00 C ATOM 1185 CD LYS A 79 -18.959 -1.545 -6.145 1.00 0.00 C ATOM 1186 CE LYS A 79 -19.967 -0.756 -6.965 1.00 0.00 C ATOM 1187 NZ LYS A 79 -21.300 -0.702 -6.304 1.00 0.00 N ATOM 0 H LYS A 79 -20.209 -4.971 -8.009 1.00 0.00 H new ATOM 0 HA LYS A 79 -19.072 -5.572 -5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -21.067 -3.429 -6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -20.229 -3.435 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -18.041 -3.484 -6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -19.024 -3.124 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -19.183 -1.432 -5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -17.960 -1.138 -6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -19.596 0.258 -7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -20.069 -1.211 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -21.821 0.133 -6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -21.837 -1.562 -6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -21.174 -0.639 -5.274 1.00 0.00 H new ATOM 1201 N TYR A 80 -22.140 -6.462 -5.758 1.00 0.00 N ATOM 1202 CA TYR A 80 -23.252 -7.103 -5.066 1.00 0.00 C ATOM 1203 C TYR A 80 -23.019 -8.604 -4.933 1.00 0.00 C ATOM 1204 O TYR A 80 -23.604 -9.262 -4.071 1.00 0.00 O ATOM 1205 CB TYR A 80 -24.562 -6.843 -5.811 1.00 0.00 C ATOM 1206 CG TYR A 80 -25.795 -7.203 -5.013 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -26.221 -8.522 -4.913 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -26.534 -6.224 -4.359 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -27.347 -8.855 -4.185 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -27.660 -6.549 -3.628 1.00 0.00 C ATOM 1211 CZ TYR A 80 -28.063 -7.866 -3.545 1.00 0.00 C ATOM 1212 OH TYR A 80 -29.184 -8.194 -2.818 1.00 0.00 O ATOM 0 H TYR A 80 -22.207 -6.486 -6.776 1.00 0.00 H new ATOM 0 HA TYR A 80 -23.319 -6.674 -4.066 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.612 -5.789 -6.084 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -24.561 -7.414 -6.740 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -25.663 -9.300 -5.413 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.223 -5.192 -4.424 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -27.665 -9.885 -4.118 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -28.222 -5.776 -3.124 1.00 0.00 H new ATOM 0 HH TYR A 80 -29.571 -7.382 -2.430 1.00 0.00 H new ATOM 1222 N HIS A 81 -22.159 -9.141 -5.792 1.00 0.00 N ATOM 1223 CA HIS A 81 -21.846 -10.566 -5.772 1.00 0.00 C ATOM 1224 C HIS A 81 -21.051 -10.929 -4.521 1.00 0.00 C ATOM 1225 O HIS A 81 -21.173 -12.035 -3.995 1.00 0.00 O ATOM 1226 CB HIS A 81 -21.057 -10.955 -7.022 1.00 0.00 C ATOM 1227 CG HIS A 81 -19.572 -10.869 -6.844 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -18.784 -9.962 -7.520 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -18.732 -11.584 -6.060 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -17.523 -10.123 -7.161 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -17.465 -11.100 -6.274 1.00 0.00 N ATOM 0 H HIS A 81 -21.666 -8.611 -6.511 1.00 0.00 H new ATOM 0 HA HIS A 81 -22.785 -11.119 -5.759 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -21.322 -11.973 -7.307 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -21.354 -10.306 -7.846 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -19.007 -12.386 -5.391 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -16.683 -9.553 -7.530 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -16.616 -11.440 -5.821 1.00 0.00 H new ATOM 1239 N VAL A 82 -20.236 -9.991 -4.050 1.00 0.00 N ATOM 1240 CA VAL A 82 -19.422 -10.212 -2.861 1.00 0.00 C ATOM 1241 C VAL A 82 -20.265 -10.130 -1.594 1.00 0.00 C ATOM 1242 O VAL A 82 -20.240 -11.034 -0.760 1.00 0.00 O ATOM 1243 CB VAL A 82 -18.275 -9.188 -2.768 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -17.382 -9.493 -1.575 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -17.469 -9.172 -4.058 1.00 0.00 C ATOM 0 H VAL A 82 -20.122 -9.070 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 82 -19.000 -11.213 -2.949 1.00 0.00 H new ATOM 0 HB VAL A 82 -18.706 -8.197 -2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -16.578 -8.759 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -17.971 -9.448 -0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -16.957 -10.491 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -16.663 -8.443 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -17.047 -10.161 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -18.119 -8.900 -4.890 1.00 0.00 H new ATOM 1255 N MET A 83 -21.013 -9.040 -1.457 1.00 0.00 N ATOM 1256 CA MET A 83 -21.866 -8.841 -0.291 1.00 0.00 C ATOM 1257 C MET A 83 -22.806 -10.027 -0.096 1.00 0.00 C ATOM 1258 O MET A 83 -23.121 -10.402 1.033 1.00 0.00 O ATOM 1259 CB MET A 83 -22.677 -7.552 -0.440 1.00 0.00 C ATOM 1260 CG MET A 83 -23.701 -7.605 -1.562 1.00 0.00 C ATOM 1261 SD MET A 83 -24.591 -6.050 -1.764 1.00 0.00 S ATOM 1262 CE MET A 83 -23.271 -4.974 -2.318 1.00 0.00 C ATOM 0 H MET A 83 -21.046 -8.282 -2.138 1.00 0.00 H new ATOM 0 HA MET A 83 -21.225 -8.760 0.587 1.00 0.00 H new ATOM 0 HB2 MET A 83 -23.190 -7.344 0.499 1.00 0.00 H new ATOM 0 HB3 MET A 83 -21.994 -6.722 -0.621 1.00 0.00 H new ATOM 0 HG2 MET A 83 -23.198 -7.855 -2.496 1.00 0.00 H new ATOM 0 HG3 MET A 83 -24.414 -8.404 -1.360 1.00 0.00 H new ATOM 0 HE1 MET A 83 -23.323 -4.027 -1.780 1.00 0.00 H new ATOM 0 HE2 MET A 83 -22.309 -5.449 -2.124 1.00 0.00 H new ATOM 0 HE3 MET A 83 -23.376 -4.790 -3.387 1.00 0.00 H new ATOM 1272 N ALA A 84 -23.250 -10.612 -1.204 1.00 0.00 N ATOM 1273 CA ALA A 84 -24.152 -11.756 -1.154 1.00 0.00 C ATOM 1274 C ALA A 84 -23.381 -13.054 -0.941 1.00 0.00 C ATOM 1275 O ALA A 84 -23.427 -13.644 0.138 1.00 0.00 O ATOM 1276 CB ALA A 84 -24.977 -11.834 -2.430 1.00 0.00 C ATOM 0 H ALA A 84 -23.000 -10.313 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 84 -24.825 -11.620 -0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -25.646 -12.693 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -25.565 -10.922 -2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -24.312 -11.943 -3.287 1.00 0.00 H new ATOM 1282 N ASN A 85 -22.673 -13.494 -1.976 1.00 0.00 N ATOM 1283 CA ASN A 85 -21.893 -14.724 -1.902 1.00 0.00 C ATOM 1284 C ASN A 85 -20.812 -14.618 -0.830 1.00 0.00 C ATOM 1285 O ASN A 85 -20.701 -15.481 0.042 1.00 0.00 O ATOM 1286 CB ASN A 85 -21.253 -15.029 -3.258 1.00 0.00 C ATOM 1287 CG ASN A 85 -22.276 -15.444 -4.299 1.00 0.00 C ATOM 1288 OD1 ASN A 85 -22.636 -16.617 -4.399 1.00 0.00 O ATOM 1289 ND2 ASN A 85 -22.748 -14.479 -5.080 1.00 0.00 N ATOM 0 H ASN A 85 -22.623 -13.017 -2.876 1.00 0.00 H new ATOM 0 HA ASN A 85 -22.568 -15.537 -1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -20.717 -14.148 -3.610 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -20.517 -15.824 -3.139 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -23.438 -14.696 -5.799 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -22.420 -13.520 -4.961 1.00 0.00 H new ATOM 1296 N HIS A 86 -20.018 -13.554 -0.900 1.00 0.00 N ATOM 1297 CA HIS A 86 -18.947 -13.335 0.065 1.00 0.00 C ATOM 1298 C HIS A 86 -19.418 -12.436 1.204 1.00 0.00 C ATOM 1299 O HIS A 86 -18.775 -11.437 1.526 1.00 0.00 O ATOM 1300 CB HIS A 86 -17.732 -12.712 -0.623 1.00 0.00 C ATOM 1301 CG HIS A 86 -17.278 -13.466 -1.835 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -17.127 -14.836 -1.856 1.00 0.00 N ATOM 1303 CD2 HIS A 86 -16.945 -13.033 -3.073 1.00 0.00 C ATOM 1304 CE1 HIS A 86 -16.717 -15.213 -3.055 1.00 0.00 C ATOM 1305 NE2 HIS A 86 -16.600 -14.138 -3.812 1.00 0.00 N ATOM 0 H HIS A 86 -20.096 -12.831 -1.615 1.00 0.00 H new ATOM 0 HA HIS A 86 -18.663 -14.301 0.482 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -17.973 -11.689 -0.911 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.909 -12.657 0.090 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -16.950 -12.009 -3.416 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.513 -16.228 -3.363 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -16.302 -14.129 -4.787 1.00 0.00 H new