USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 608 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 41 HIS : no HD1:sc= 0.592 K(o=2.2,f=0.99) USER MOD Set 1.2: A 45 HIS : no HE2:sc= 0.535 K(o=2.2,f=-0.48) USER MOD Set 1.3: A 50 HIS : no HE2:sc= 0.486 K(o=2.2,f=-1.9!) USER MOD Set 1.4: A 51 SER OG : rot -94:sc= 0.596 USER MOD Set 2.1: A 27 GLN : amide:sc= -0.0436 K(o=0.91,f=-0.19) USER MOD Set 2.2: A 61 GLN : amide:sc= 0.95 K(o=0.91,f=-0.19) USER MOD Single : A 23 SER OG : rot 27:sc= 0.113 USER MOD Single : A 24 THR OG1 : rot 171:sc= 0.299 USER MOD Single : A 32 THR OG1 : rot 71:sc= 1.2 USER MOD Single : A 36 ASN : amide:sc= 0.434 K(o=0.43,f=-6!) USER MOD Single : A 39 SER OG : rot 77:sc= 1.21 USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= -0.0701 (180deg=-0.495) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.0213 (180deg=-0.281) USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= -0.0113 (180deg=-0.144) USER MOD Single : A 49 HIS : no HD1:sc=-0.00582 X(o=-0.0058,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -0.383 K(o=-0.38,f=-2.4!) USER MOD Single : A 57 MET CE :methyl 141:sc= -0.0995 (180deg=-0.486) USER MOD Single : A 58 MET CE :methyl -170:sc= -0.396 (180deg=-1) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.965 K(o=-0.96,f=-0.27) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= 0.934 (180deg=0.808) USER MOD ----------------------------------------------------------------- ATOM 215 N GLU A 13 -16.788 12.981 -1.716 1.00 1.00 N ATOM 216 CA GLU A 13 -16.189 12.244 -2.817 1.00 1.00 C ATOM 217 C GLU A 13 -16.539 10.761 -2.768 1.00 1.00 C ATOM 218 O GLU A 13 -17.035 10.201 -3.742 1.00 1.00 O ATOM 219 CB GLU A 13 -14.679 12.448 -2.795 1.00 1.00 C ATOM 220 CG GLU A 13 -13.947 11.818 -3.961 1.00 1.00 C ATOM 221 CD GLU A 13 -12.513 12.292 -4.040 1.00 1.00 C ATOM 222 OE1 GLU A 13 -11.677 11.782 -3.265 1.00 1.00 O ATOM 223 OE2 GLU A 13 -12.229 13.189 -4.862 1.00 1.00 O ATOM 0 HA GLU A 13 -16.595 12.630 -3.752 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -14.469 13.518 -2.785 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -14.282 12.036 -1.867 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -13.967 10.733 -3.860 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -14.463 12.062 -4.890 1.00 1.00 H new ATOM 230 N PHE A 14 -16.289 10.112 -1.650 1.00 1.00 N ATOM 231 CA PHE A 14 -16.619 8.699 -1.560 1.00 1.00 C ATOM 232 C PHE A 14 -18.005 8.491 -0.915 1.00 1.00 C ATOM 233 O PHE A 14 -19.014 8.820 -1.532 1.00 1.00 O ATOM 234 CB PHE A 14 -15.488 7.921 -0.870 1.00 1.00 C ATOM 235 CG PHE A 14 -14.276 7.824 -1.764 1.00 1.00 C ATOM 236 CD1 PHE A 14 -14.216 6.857 -2.756 1.00 1.00 C ATOM 237 CD2 PHE A 14 -13.220 8.719 -1.645 1.00 1.00 C ATOM 238 CE1 PHE A 14 -13.134 6.783 -3.612 1.00 1.00 C ATOM 239 CE2 PHE A 14 -12.131 8.645 -2.496 1.00 1.00 C ATOM 240 CZ PHE A 14 -12.090 7.676 -3.481 1.00 1.00 C ATOM 0 H PHE A 14 -15.872 10.521 -0.814 1.00 1.00 H new ATOM 0 HA PHE A 14 -16.700 8.286 -2.565 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -15.218 8.416 0.063 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -15.835 6.921 -0.611 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -15.027 6.151 -2.861 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -13.249 9.481 -0.880 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -13.105 6.027 -4.383 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -11.314 9.344 -2.391 1.00 1.00 H new ATOM 0 HZ PHE A 14 -11.242 7.618 -4.147 1.00 1.00 H new ATOM 358 N SER A 23 -17.308 3.782 4.194 1.00 1.00 N ATOM 359 CA SER A 23 -17.274 2.487 4.877 1.00 1.00 C ATOM 360 C SER A 23 -15.996 1.699 4.594 1.00 1.00 C ATOM 361 O SER A 23 -15.023 1.769 5.343 1.00 1.00 O ATOM 362 CB SER A 23 -18.514 1.655 4.511 1.00 1.00 C ATOM 363 OG SER A 23 -19.708 2.371 4.789 1.00 1.00 O ATOM 0 HA SER A 23 -17.282 2.695 5.947 1.00 1.00 H new ATOM 0 HB2 SER A 23 -18.481 1.393 3.454 1.00 1.00 H new ATOM 0 HB3 SER A 23 -18.507 0.720 5.072 1.00 1.00 H new ATOM 0 HG SER A 23 -19.532 3.334 4.736 1.00 1.00 H new ATOM 369 N THR A 24 -15.994 0.979 3.503 1.00 1.00 N ATOM 370 CA THR A 24 -14.858 0.158 3.131 1.00 1.00 C ATOM 371 C THR A 24 -14.045 0.857 2.056 1.00 1.00 C ATOM 372 O THR A 24 -12.823 1.002 2.146 1.00 1.00 O ATOM 373 CB THR A 24 -15.361 -1.189 2.592 1.00 1.00 C ATOM 374 OG1 THR A 24 -16.257 -1.793 3.541 1.00 1.00 O ATOM 375 CG2 THR A 24 -14.215 -2.130 2.305 1.00 1.00 C ATOM 0 H THR A 24 -16.773 0.941 2.846 1.00 1.00 H new ATOM 0 HA THR A 24 -14.230 -0.005 4.007 1.00 1.00 H new ATOM 0 HB THR A 24 -15.889 -1.000 1.657 1.00 1.00 H new ATOM 0 HG1 THR A 24 -16.687 -2.574 3.134 1.00 1.00 H new ATOM 0 HG21 THR A 24 -14.606 -3.074 1.925 1.00 1.00 H new ATOM 0 HG22 THR A 24 -13.556 -1.684 1.560 1.00 1.00 H new ATOM 0 HG23 THR A 24 -13.655 -2.312 3.222 1.00 1.00 H new ATOM 383 N GLU A 25 -14.773 1.321 1.064 1.00 1.00 N ATOM 384 CA GLU A 25 -14.234 2.030 -0.086 1.00 1.00 C ATOM 385 C GLU A 25 -13.348 3.207 0.335 1.00 1.00 C ATOM 386 O GLU A 25 -12.284 3.427 -0.240 1.00 1.00 O ATOM 387 CB GLU A 25 -15.397 2.538 -0.938 1.00 1.00 C ATOM 388 CG GLU A 25 -16.240 1.429 -1.562 1.00 1.00 C ATOM 389 CD GLU A 25 -17.357 0.890 -0.671 1.00 1.00 C ATOM 390 OE1 GLU A 25 -17.079 0.429 0.451 1.00 1.00 O ATOM 391 OE2 GLU A 25 -18.527 0.906 -1.115 1.00 1.00 O ATOM 0 H GLU A 25 -15.787 1.214 1.030 1.00 1.00 H new ATOM 0 HA GLU A 25 -13.612 1.341 -0.657 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -16.040 3.165 -0.320 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -15.002 3.171 -1.733 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -16.681 1.804 -2.485 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -15.583 0.603 -1.835 1.00 1.00 H new ATOM 398 N VAL A 26 -13.799 3.962 1.339 1.00 1.00 N ATOM 399 CA VAL A 26 -13.035 5.104 1.852 1.00 1.00 C ATOM 400 C VAL A 26 -11.639 4.680 2.310 1.00 1.00 C ATOM 401 O VAL A 26 -10.659 5.393 2.110 1.00 1.00 O ATOM 402 CB VAL A 26 -13.759 5.783 3.043 1.00 1.00 C ATOM 403 CG1 VAL A 26 -13.941 4.818 4.213 1.00 1.00 C ATOM 404 CG2 VAL A 26 -13.000 7.020 3.501 1.00 1.00 C ATOM 0 H VAL A 26 -14.688 3.804 1.813 1.00 1.00 H new ATOM 0 HA VAL A 26 -12.949 5.813 1.028 1.00 1.00 H new ATOM 0 HB VAL A 26 -14.747 6.083 2.694 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -14.452 5.328 5.029 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -14.536 3.963 3.891 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -12.965 4.473 4.555 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -13.526 7.481 4.337 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -11.996 6.735 3.816 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -12.934 7.732 2.678 1.00 1.00 H new ATOM 414 N GLN A 27 -11.551 3.484 2.863 1.00 1.00 N ATOM 415 CA GLN A 27 -10.294 2.977 3.383 1.00 1.00 C ATOM 416 C GLN A 27 -9.420 2.431 2.260 1.00 1.00 C ATOM 417 O GLN A 27 -8.198 2.538 2.302 1.00 1.00 O ATOM 418 CB GLN A 27 -10.564 1.926 4.447 1.00 1.00 C ATOM 419 CG GLN A 27 -9.308 1.291 5.010 1.00 1.00 C ATOM 420 CD GLN A 27 -9.602 0.207 6.029 1.00 1.00 C ATOM 421 OE1 GLN A 27 -8.850 -0.749 6.162 1.00 1.00 O ATOM 422 NE2 GLN A 27 -10.690 0.345 6.763 1.00 1.00 N ATOM 0 H GLN A 27 -12.338 2.843 2.964 1.00 1.00 H new ATOM 0 HA GLN A 27 -9.744 3.797 3.845 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -11.126 2.383 5.262 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -11.196 1.146 4.022 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -8.724 0.867 4.193 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -8.693 2.062 5.474 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -11.297 1.154 6.628 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -10.924 -0.357 7.465 1.00 1.00 H new ATOM 431 N VAL A 28 -10.043 1.845 1.249 1.00 1.00 N ATOM 432 CA VAL A 28 -9.283 1.372 0.109 1.00 1.00 C ATOM 433 C VAL A 28 -8.788 2.589 -0.657 1.00 1.00 C ATOM 434 O VAL A 28 -7.735 2.570 -1.289 1.00 1.00 O ATOM 435 CB VAL A 28 -10.096 0.475 -0.829 1.00 1.00 C ATOM 436 CG1 VAL A 28 -9.186 -0.173 -1.863 1.00 1.00 C ATOM 437 CG2 VAL A 28 -10.858 -0.575 -0.041 1.00 1.00 C ATOM 0 H VAL A 28 -11.050 1.689 1.196 1.00 1.00 H new ATOM 0 HA VAL A 28 -8.460 0.762 0.481 1.00 1.00 H new ATOM 0 HB VAL A 28 -10.824 1.093 -1.355 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -9.778 -0.807 -2.522 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -8.694 0.602 -2.451 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -8.433 -0.778 -1.357 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -11.429 -1.201 -0.727 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -10.154 -1.194 0.516 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -11.539 -0.085 0.655 1.00 1.00 H new ATOM 447 N ALA A 29 -9.565 3.660 -0.574 1.00 1.00 N ATOM 448 CA ALA A 29 -9.199 4.913 -1.202 1.00 1.00 C ATOM 449 C ALA A 29 -7.925 5.433 -0.562 1.00 1.00 C ATOM 450 O ALA A 29 -7.003 5.875 -1.241 1.00 1.00 O ATOM 451 CB ALA A 29 -10.315 5.932 -1.061 1.00 1.00 C ATOM 0 H ALA A 29 -10.455 3.682 -0.075 1.00 1.00 H new ATOM 0 HA ALA A 29 -9.032 4.746 -2.266 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -10.018 6.865 -1.540 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -11.218 5.551 -1.538 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -10.511 6.113 -0.004 1.00 1.00 H new ATOM 457 N LEU A 30 -7.859 5.344 0.755 1.00 1.00 N ATOM 458 CA LEU A 30 -6.674 5.791 1.455 1.00 1.00 C ATOM 459 C LEU A 30 -5.543 4.753 1.319 1.00 1.00 C ATOM 460 O LEU A 30 -4.374 5.114 1.208 1.00 1.00 O ATOM 461 CB LEU A 30 -6.993 6.148 2.924 1.00 1.00 C ATOM 462 CG LEU A 30 -7.351 4.999 3.887 1.00 1.00 C ATOM 463 CD1 LEU A 30 -6.106 4.332 4.466 1.00 1.00 C ATOM 464 CD2 LEU A 30 -8.231 5.532 5.015 1.00 1.00 C ATOM 0 H LEU A 30 -8.599 4.973 1.350 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.317 6.711 0.991 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.130 6.672 3.335 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -7.824 6.854 2.923 1.00 1.00 H new ATOM 0 HG LEU A 30 -7.893 4.243 3.320 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -6.404 3.528 5.139 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -5.503 3.922 3.656 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -5.521 5.069 5.017 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -8.483 4.718 5.695 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -7.693 6.307 5.561 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -9.146 5.951 4.596 1.00 1.00 H new ATOM 476 N LEU A 31 -5.903 3.470 1.250 1.00 1.00 N ATOM 477 CA LEU A 31 -4.915 2.402 1.116 1.00 1.00 C ATOM 478 C LEU A 31 -4.224 2.487 -0.260 1.00 1.00 C ATOM 479 O LEU A 31 -2.999 2.408 -0.364 1.00 1.00 O ATOM 480 CB LEU A 31 -5.577 1.031 1.421 1.00 1.00 C ATOM 481 CG LEU A 31 -6.119 0.143 0.257 1.00 1.00 C ATOM 482 CD1 LEU A 31 -5.015 -0.455 -0.600 1.00 1.00 C ATOM 483 CD2 LEU A 31 -6.965 -0.978 0.845 1.00 1.00 C ATOM 0 H LEU A 31 -6.870 3.147 1.285 1.00 1.00 H new ATOM 0 HA LEU A 31 -4.119 2.520 1.851 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -4.847 0.435 1.969 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -6.410 1.218 2.099 1.00 1.00 H new ATOM 0 HG LEU A 31 -6.712 0.785 -0.394 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.456 -1.061 -1.391 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.424 0.346 -1.044 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -4.371 -1.080 0.019 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -7.349 -1.605 0.040 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -6.353 -1.582 1.515 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -7.799 -0.551 1.401 1.00 1.00 H new ATOM 495 N THR A 32 -5.008 2.726 -1.302 1.00 1.00 N ATOM 496 CA THR A 32 -4.474 2.855 -2.659 1.00 1.00 C ATOM 497 C THR A 32 -3.659 4.145 -2.781 1.00 1.00 C ATOM 498 O THR A 32 -2.616 4.178 -3.435 1.00 1.00 O ATOM 499 CB THR A 32 -5.612 2.837 -3.698 1.00 1.00 C ATOM 500 OG1 THR A 32 -6.435 1.679 -3.486 1.00 1.00 O ATOM 501 CG2 THR A 32 -5.075 2.813 -5.120 1.00 1.00 C ATOM 0 H THR A 32 -6.020 2.835 -1.237 1.00 1.00 H new ATOM 0 HA THR A 32 -3.821 2.005 -2.857 1.00 1.00 H new ATOM 0 HB THR A 32 -6.196 3.749 -3.570 1.00 1.00 H new ATOM 0 HG1 THR A 32 -6.953 1.792 -2.662 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.908 2.801 -5.823 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.466 3.700 -5.294 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.466 1.921 -5.264 1.00 1.00 H new ATOM 509 N LEU A 33 -4.130 5.202 -2.124 1.00 1.00 N ATOM 510 CA LEU A 33 -3.425 6.482 -2.115 1.00 1.00 C ATOM 511 C LEU A 33 -2.056 6.302 -1.451 1.00 1.00 C ATOM 512 O LEU A 33 -1.038 6.783 -1.949 1.00 1.00 O ATOM 513 CB LEU A 33 -4.256 7.528 -1.363 1.00 1.00 C ATOM 514 CG LEU A 33 -3.665 8.942 -1.296 1.00 1.00 C ATOM 515 CD1 LEU A 33 -3.525 9.539 -2.689 1.00 1.00 C ATOM 516 CD2 LEU A 33 -4.541 9.831 -0.426 1.00 1.00 C ATOM 0 H LEU A 33 -4.999 5.198 -1.590 1.00 1.00 H new ATOM 0 HA LEU A 33 -3.279 6.829 -3.138 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -5.237 7.589 -1.834 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -4.412 7.173 -0.344 1.00 1.00 H new ATOM 0 HG LEU A 33 -2.671 8.879 -0.853 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -3.104 10.542 -2.615 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -2.865 8.912 -3.289 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -4.505 9.592 -3.163 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -4.114 10.833 -0.384 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -5.544 9.881 -0.851 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.594 9.416 0.581 1.00 1.00 H new ATOM 528 N ARG A 34 -2.034 5.580 -0.330 1.00 1.00 N ATOM 529 CA ARG A 34 -0.785 5.310 0.374 1.00 1.00 C ATOM 530 C ARG A 34 0.141 4.428 -0.477 1.00 1.00 C ATOM 531 O ARG A 34 1.335 4.702 -0.573 1.00 1.00 O ATOM 532 CB ARG A 34 -1.039 4.652 1.732 1.00 1.00 C ATOM 533 CG ARG A 34 -1.643 5.592 2.769 1.00 1.00 C ATOM 534 CD ARG A 34 -0.788 6.846 2.964 1.00 1.00 C ATOM 535 NE ARG A 34 0.625 6.523 3.218 1.00 1.00 N ATOM 536 CZ ARG A 34 1.626 7.345 3.035 1.00 1.00 C ATOM 537 NH1 ARG A 34 1.419 8.578 2.700 1.00 1.00 N ATOM 538 NH2 ARG A 34 2.840 6.926 3.213 1.00 1.00 N ATOM 0 H ARG A 34 -2.862 5.175 0.106 1.00 1.00 H new ATOM 0 HA ARG A 34 -0.295 6.268 0.548 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.707 3.802 1.594 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -0.098 4.259 2.116 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -2.647 5.881 2.457 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -1.743 5.069 3.720 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -0.861 7.475 2.077 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -1.182 7.426 3.799 1.00 1.00 H new ATOM 0 HE ARG A 34 0.840 5.587 3.563 1.00 1.00 H new ATOM 0 HH11 ARG A 34 0.466 8.920 2.576 1.00 1.00 H new ATOM 0 HH12 ARG A 34 2.209 9.208 2.561 1.00 1.00 H new ATOM 0 HH21 ARG A 34 3.010 5.960 3.494 1.00 1.00 H new ATOM 0 HH22 ARG A 34 3.625 7.562 3.072 1.00 1.00 H new ATOM 552 N ILE A 35 -0.405 3.371 -1.095 1.00 1.00 N ATOM 553 CA ILE A 35 0.400 2.499 -1.963 1.00 1.00 C ATOM 554 C ILE A 35 0.967 3.319 -3.138 1.00 1.00 C ATOM 555 O ILE A 35 2.110 3.129 -3.553 1.00 1.00 O ATOM 556 CB ILE A 35 -0.412 1.275 -2.466 1.00 1.00 C ATOM 557 CG1 ILE A 35 -0.758 0.365 -1.275 1.00 1.00 C ATOM 558 CG2 ILE A 35 0.359 0.496 -3.530 1.00 1.00 C ATOM 559 CD1 ILE A 35 -1.544 -0.878 -1.642 1.00 1.00 C ATOM 0 H ILE A 35 -1.385 3.102 -1.013 1.00 1.00 H new ATOM 0 HA ILE A 35 1.229 2.101 -1.378 1.00 1.00 H new ATOM 0 HB ILE A 35 -1.332 1.634 -2.927 1.00 1.00 H new ATOM 0 HG12 ILE A 35 0.167 0.063 -0.784 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -1.331 0.941 -0.548 1.00 1.00 H new ATOM 0 HG21 ILE A 35 -0.237 -0.355 -3.861 1.00 1.00 H new ATOM 0 HG22 ILE A 35 0.566 1.147 -4.379 1.00 1.00 H new ATOM 0 HG23 ILE A 35 1.299 0.139 -3.110 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -1.744 -1.461 -0.743 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -2.488 -0.588 -2.104 1.00 1.00 H new ATOM 0 HD13 ILE A 35 -0.966 -1.480 -2.343 1.00 1.00 H new ATOM 571 N ASN A 36 0.159 4.250 -3.653 1.00 1.00 N ATOM 572 CA ASN A 36 0.592 5.161 -4.719 1.00 1.00 C ATOM 573 C ASN A 36 1.779 6.001 -4.210 1.00 1.00 C ATOM 574 O ASN A 36 2.785 6.156 -4.900 1.00 1.00 O ATOM 575 CB ASN A 36 -0.590 6.069 -5.124 1.00 1.00 C ATOM 576 CG ASN A 36 -0.298 7.053 -6.251 1.00 1.00 C ATOM 577 OD1 ASN A 36 0.804 7.558 -6.403 1.00 1.00 O ATOM 578 ND2 ASN A 36 -1.313 7.362 -7.036 1.00 1.00 N ATOM 0 H ASN A 36 -0.804 4.394 -3.348 1.00 1.00 H new ATOM 0 HA ASN A 36 0.912 4.596 -5.595 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.426 5.437 -5.423 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -0.912 6.631 -4.247 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -1.187 8.037 -7.791 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -2.223 6.926 -6.888 1.00 1.00 H new ATOM 585 N ARG A 37 1.674 6.486 -2.965 1.00 1.00 N ATOM 586 CA ARG A 37 2.739 7.302 -2.359 1.00 1.00 C ATOM 587 C ARG A 37 3.994 6.462 -2.167 1.00 1.00 C ATOM 588 O ARG A 37 5.108 6.906 -2.422 1.00 1.00 O ATOM 589 CB ARG A 37 2.315 7.845 -0.988 1.00 1.00 C ATOM 590 CG ARG A 37 1.108 8.770 -1.020 1.00 1.00 C ATOM 591 CD ARG A 37 1.321 9.992 -1.922 1.00 1.00 C ATOM 592 NE ARG A 37 1.270 9.673 -3.359 1.00 1.00 N ATOM 593 CZ ARG A 37 1.324 10.566 -4.318 1.00 1.00 C ATOM 594 NH1 ARG A 37 1.472 11.818 -4.042 1.00 1.00 N ATOM 595 NH2 ARG A 37 1.257 10.193 -5.556 1.00 1.00 N ATOM 0 H ARG A 37 0.868 6.330 -2.360 1.00 1.00 H new ATOM 0 HA ARG A 37 2.933 8.136 -3.033 1.00 1.00 H new ATOM 0 HB2 ARG A 37 2.094 7.004 -0.331 1.00 1.00 H new ATOM 0 HB3 ARG A 37 3.156 8.381 -0.548 1.00 1.00 H new ATOM 0 HG2 ARG A 37 0.238 8.213 -1.369 1.00 1.00 H new ATOM 0 HG3 ARG A 37 0.886 9.106 -0.007 1.00 1.00 H new ATOM 0 HD2 ARG A 37 0.560 10.739 -1.696 1.00 1.00 H new ATOM 0 HD3 ARG A 37 2.287 10.441 -1.691 1.00 1.00 H new ATOM 0 HE ARG A 37 1.187 8.692 -3.626 1.00 1.00 H new ATOM 0 HH11 ARG A 37 1.548 12.121 -3.071 1.00 1.00 H new ATOM 0 HH12 ARG A 37 1.513 12.505 -4.795 1.00 1.00 H new ATOM 0 HH21 ARG A 37 1.162 9.204 -5.786 1.00 1.00 H new ATOM 0 HH22 ARG A 37 1.299 10.888 -6.301 1.00 1.00 H new ATOM 609 N LEU A 38 3.796 5.223 -1.718 1.00 1.00 N ATOM 610 CA LEU A 38 4.895 4.320 -1.480 1.00 1.00 C ATOM 611 C LEU A 38 5.611 3.996 -2.782 1.00 1.00 C ATOM 612 O LEU A 38 6.831 3.899 -2.824 1.00 1.00 O ATOM 613 CB LEU A 38 4.378 3.049 -0.816 1.00 1.00 C ATOM 614 CG LEU A 38 3.821 3.236 0.599 1.00 1.00 C ATOM 615 CD1 LEU A 38 3.304 1.915 1.144 1.00 1.00 C ATOM 616 CD2 LEU A 38 4.882 3.814 1.525 1.00 1.00 C ATOM 0 H LEU A 38 2.877 4.831 -1.514 1.00 1.00 H new ATOM 0 HA LEU A 38 5.612 4.799 -0.814 1.00 1.00 H new ATOM 0 HB2 LEU A 38 3.596 2.622 -1.444 1.00 1.00 H new ATOM 0 HB3 LEU A 38 5.189 2.322 -0.777 1.00 1.00 H new ATOM 0 HG LEU A 38 2.991 3.941 0.549 1.00 1.00 H new ATOM 0 HD11 LEU A 38 2.912 2.065 2.150 1.00 1.00 H new ATOM 0 HD12 LEU A 38 2.511 1.540 0.497 1.00 1.00 H new ATOM 0 HD13 LEU A 38 4.118 1.191 1.176 1.00 1.00 H new ATOM 0 HD21 LEU A 38 4.464 3.938 2.524 1.00 1.00 H new ATOM 0 HD22 LEU A 38 5.734 3.136 1.570 1.00 1.00 H new ATOM 0 HD23 LEU A 38 5.208 4.782 1.145 1.00 1.00 H new ATOM 628 N SER A 39 4.844 3.851 -3.850 1.00 1.00 N ATOM 629 CA SER A 39 5.416 3.569 -5.156 1.00 1.00 C ATOM 630 C SER A 39 6.296 4.724 -5.617 1.00 1.00 C ATOM 631 O SER A 39 7.420 4.513 -6.064 1.00 1.00 O ATOM 632 CB SER A 39 4.310 3.335 -6.183 1.00 1.00 C ATOM 633 OG SER A 39 3.458 2.272 -5.788 1.00 1.00 O ATOM 0 H SER A 39 3.827 3.924 -3.839 1.00 1.00 H new ATOM 0 HA SER A 39 6.025 2.669 -5.070 1.00 1.00 H new ATOM 0 HB2 SER A 39 3.725 4.247 -6.305 1.00 1.00 H new ATOM 0 HB3 SER A 39 4.753 3.108 -7.153 1.00 1.00 H new ATOM 0 HG SER A 39 2.844 2.586 -5.092 1.00 1.00 H new ATOM 639 N GLU A 40 5.820 5.958 -5.462 1.00 1.00 N ATOM 640 CA GLU A 40 6.619 7.097 -5.906 1.00 1.00 C ATOM 641 C GLU A 40 7.671 7.491 -4.855 1.00 1.00 C ATOM 642 O GLU A 40 8.494 8.382 -5.069 1.00 1.00 O ATOM 643 CB GLU A 40 5.752 8.252 -6.434 1.00 1.00 C ATOM 644 CG GLU A 40 4.661 8.791 -5.519 1.00 1.00 C ATOM 645 CD GLU A 40 5.099 9.994 -4.713 1.00 1.00 C ATOM 646 OE1 GLU A 40 5.654 9.800 -3.615 1.00 1.00 O ATOM 647 OE2 GLU A 40 4.862 11.136 -5.174 1.00 1.00 O ATOM 0 H GLU A 40 4.917 6.190 -5.047 1.00 1.00 H new ATOM 0 HA GLU A 40 7.197 6.789 -6.777 1.00 1.00 H new ATOM 0 HB2 GLU A 40 6.414 9.079 -6.690 1.00 1.00 H new ATOM 0 HB3 GLU A 40 5.281 7.922 -7.360 1.00 1.00 H new ATOM 0 HG2 GLU A 40 3.793 9.061 -6.120 1.00 1.00 H new ATOM 0 HG3 GLU A 40 4.344 8.001 -4.838 1.00 1.00 H new ATOM 654 N HIS A 41 7.655 6.774 -3.725 1.00 1.00 N ATOM 655 CA HIS A 41 8.673 6.924 -2.696 1.00 1.00 C ATOM 656 C HIS A 41 9.820 5.978 -3.075 1.00 1.00 C ATOM 657 O HIS A 41 10.994 6.330 -2.987 1.00 1.00 O ATOM 658 CB HIS A 41 8.118 6.571 -1.310 1.00 1.00 C ATOM 659 CG HIS A 41 9.118 6.717 -0.194 1.00 1.00 C ATOM 660 ND1 HIS A 41 9.544 5.677 0.607 1.00 1.00 N ATOM 661 CD2 HIS A 41 9.765 7.821 0.258 1.00 1.00 C ATOM 662 CE1 HIS A 41 10.411 6.173 1.503 1.00 1.00 C ATOM 663 NE2 HIS A 41 10.580 7.468 1.330 1.00 1.00 N ATOM 0 H HIS A 41 6.940 6.081 -3.506 1.00 1.00 H new ATOM 0 HA HIS A 41 9.014 7.958 -2.641 1.00 1.00 H new ATOM 0 HB2 HIS A 41 7.260 7.209 -1.100 1.00 1.00 H new ATOM 0 HB3 HIS A 41 7.755 5.543 -1.326 1.00 1.00 H new ATOM 0 HD2 HIS A 41 9.664 8.816 -0.149 1.00 1.00 H new ATOM 0 HE1 HIS A 41 10.905 5.588 2.265 1.00 1.00 H new ATOM 0 HE2 HIS A 41 11.185 8.086 1.871 1.00 1.00 H new ATOM 671 N LEU A 42 9.456 4.765 -3.527 1.00 1.00 N ATOM 672 CA LEU A 42 10.445 3.779 -3.986 1.00 1.00 C ATOM 673 C LEU A 42 11.032 4.221 -5.333 1.00 1.00 C ATOM 674 O LEU A 42 12.044 3.706 -5.795 1.00 1.00 O ATOM 675 CB LEU A 42 9.830 2.377 -4.126 1.00 1.00 C ATOM 676 CG LEU A 42 9.854 1.494 -2.865 1.00 1.00 C ATOM 677 CD1 LEU A 42 9.052 2.111 -1.728 1.00 1.00 C ATOM 678 CD2 LEU A 42 9.317 0.108 -3.186 1.00 1.00 C ATOM 0 H LEU A 42 8.489 4.447 -3.583 1.00 1.00 H new ATOM 0 HA LEU A 42 11.234 3.725 -3.236 1.00 1.00 H new ATOM 0 HB2 LEU A 42 8.794 2.488 -4.447 1.00 1.00 H new ATOM 0 HB3 LEU A 42 10.356 1.851 -4.923 1.00 1.00 H new ATOM 0 HG LEU A 42 10.891 1.416 -2.537 1.00 1.00 H new ATOM 0 HD11 LEU A 42 9.094 1.457 -0.857 1.00 1.00 H new ATOM 0 HD12 LEU A 42 9.472 3.084 -1.472 1.00 1.00 H new ATOM 0 HD13 LEU A 42 8.015 2.234 -2.039 1.00 1.00 H new ATOM 0 HD21 LEU A 42 9.339 -0.508 -2.287 1.00 1.00 H new ATOM 0 HD22 LEU A 42 8.291 0.189 -3.545 1.00 1.00 H new ATOM 0 HD23 LEU A 42 9.936 -0.353 -3.956 1.00 1.00 H new ATOM 690 N LYS A 43 10.368 5.172 -5.974 1.00 1.00 N ATOM 691 CA LYS A 43 10.857 5.724 -7.231 1.00 1.00 C ATOM 692 C LYS A 43 11.893 6.828 -6.940 1.00 1.00 C ATOM 693 O LYS A 43 12.368 7.546 -7.824 1.00 1.00 O ATOM 694 CB LYS A 43 9.685 6.215 -8.062 1.00 1.00 C ATOM 695 CG LYS A 43 10.037 6.456 -9.515 1.00 1.00 C ATOM 696 CD LYS A 43 10.665 5.219 -10.141 1.00 1.00 C ATOM 697 CE LYS A 43 10.739 5.340 -11.652 1.00 1.00 C ATOM 698 NZ LYS A 43 9.386 5.393 -12.265 1.00 1.00 N ATOM 0 H LYS A 43 9.491 5.577 -5.646 1.00 1.00 H new ATOM 0 HA LYS A 43 11.363 4.956 -7.817 1.00 1.00 H new ATOM 0 HB2 LYS A 43 8.879 5.483 -8.008 1.00 1.00 H new ATOM 0 HB3 LYS A 43 9.305 7.141 -7.630 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.139 6.731 -10.069 1.00 1.00 H new ATOM 0 HG3 LYS A 43 10.728 7.296 -9.590 1.00 1.00 H new ATOM 0 HD2 LYS A 43 11.667 5.073 -9.737 1.00 1.00 H new ATOM 0 HD3 LYS A 43 10.082 4.338 -9.873 1.00 1.00 H new ATOM 0 HE2 LYS A 43 11.295 6.239 -11.919 1.00 1.00 H new ATOM 0 HE3 LYS A 43 11.290 4.492 -12.059 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 9.445 5.104 -13.262 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 8.748 4.749 -11.755 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 9.016 6.363 -12.207 1.00 1.00 H new ATOM 712 N VAL A 44 12.212 6.929 -5.657 1.00 1.00 N ATOM 713 CA VAL A 44 13.233 7.821 -5.126 1.00 1.00 C ATOM 714 C VAL A 44 14.215 6.900 -4.424 1.00 1.00 C ATOM 715 O VAL A 44 15.402 6.826 -4.753 1.00 1.00 O ATOM 716 CB VAL A 44 12.672 8.842 -4.109 1.00 1.00 C ATOM 717 CG1 VAL A 44 13.776 9.762 -3.609 1.00 1.00 C ATOM 718 CG2 VAL A 44 11.536 9.653 -4.712 1.00 1.00 C ATOM 0 H VAL A 44 11.753 6.375 -4.934 1.00 1.00 H new ATOM 0 HA VAL A 44 13.675 8.414 -5.927 1.00 1.00 H new ATOM 0 HB VAL A 44 12.274 8.284 -3.262 1.00 1.00 H new ATOM 0 HG11 VAL A 44 13.361 10.473 -2.895 1.00 1.00 H new ATOM 0 HG12 VAL A 44 14.551 9.169 -3.123 1.00 1.00 H new ATOM 0 HG13 VAL A 44 14.208 10.303 -4.451 1.00 1.00 H new ATOM 0 HG21 VAL A 44 11.163 10.362 -3.973 1.00 1.00 H new ATOM 0 HG22 VAL A 44 11.900 10.196 -5.584 1.00 1.00 H new ATOM 0 HG23 VAL A 44 10.730 8.983 -5.012 1.00 1.00 H new ATOM 728 N HIS A 45 13.666 6.150 -3.480 1.00 1.00 N ATOM 729 CA HIS A 45 14.411 5.138 -2.763 1.00 1.00 C ATOM 730 C HIS A 45 14.390 3.862 -3.596 1.00 1.00 C ATOM 731 O HIS A 45 13.635 2.941 -3.298 1.00 1.00 O ATOM 732 CB HIS A 45 13.771 4.842 -1.400 1.00 1.00 C ATOM 733 CG HIS A 45 14.264 5.693 -0.273 1.00 1.00 C ATOM 734 ND1 HIS A 45 13.498 6.644 0.356 1.00 1.00 N ATOM 735 CD2 HIS A 45 15.459 5.688 0.372 1.00 1.00 C ATOM 736 CE1 HIS A 45 14.227 7.175 1.345 1.00 1.00 C ATOM 737 NE2 HIS A 45 15.427 6.628 1.397 1.00 1.00 N ATOM 0 H HIS A 45 12.691 6.230 -3.193 1.00 1.00 H new ATOM 0 HA HIS A 45 15.428 5.494 -2.597 1.00 1.00 H new ATOM 0 HB2 HIS A 45 12.692 4.969 -1.487 1.00 1.00 H new ATOM 0 HB3 HIS A 45 13.950 3.796 -1.151 1.00 1.00 H new ATOM 0 HD1 HIS A 45 12.541 6.901 0.112 1.00 1.00 H new ATOM 0 HD2 HIS A 45 16.300 5.055 0.128 1.00 1.00 H new ATOM 0 HE1 HIS A 45 13.879 7.949 2.013 1.00 1.00 H new ATOM 745 N LYS A 46 15.183 3.797 -4.664 1.00 1.00 N ATOM 746 CA LYS A 46 15.165 2.584 -5.474 1.00 1.00 C ATOM 747 C LYS A 46 16.038 1.495 -4.861 1.00 1.00 C ATOM 748 O LYS A 46 16.290 0.456 -5.456 1.00 1.00 O ATOM 749 CB LYS A 46 15.422 2.820 -6.967 1.00 1.00 C ATOM 750 CG LYS A 46 16.628 3.655 -7.355 1.00 1.00 C ATOM 751 CD LYS A 46 16.695 3.744 -8.878 1.00 1.00 C ATOM 752 CE LYS A 46 17.762 4.708 -9.369 1.00 1.00 C ATOM 753 NZ LYS A 46 17.539 6.096 -8.877 1.00 1.00 N ATOM 0 H LYS A 46 15.817 4.532 -4.977 1.00 1.00 H new ATOM 0 HA LYS A 46 14.140 2.215 -5.452 1.00 1.00 H new ATOM 0 HB2 LYS A 46 15.520 1.847 -7.448 1.00 1.00 H new ATOM 0 HB3 LYS A 46 14.536 3.296 -7.388 1.00 1.00 H new ATOM 0 HG2 LYS A 46 16.552 4.652 -6.922 1.00 1.00 H new ATOM 0 HG3 LYS A 46 17.540 3.206 -6.963 1.00 1.00 H new ATOM 0 HD2 LYS A 46 16.893 2.753 -9.286 1.00 1.00 H new ATOM 0 HD3 LYS A 46 15.724 4.059 -9.261 1.00 1.00 H new ATOM 0 HE2 LYS A 46 18.741 4.361 -9.040 1.00 1.00 H new ATOM 0 HE3 LYS A 46 17.774 4.709 -10.459 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 18.124 6.757 -9.427 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 16.536 6.347 -8.988 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 17.802 6.155 -7.872 1.00 1.00 H new ATOM 767 N LYS A 47 16.556 1.791 -3.676 1.00 1.00 N ATOM 768 CA LYS A 47 17.254 0.792 -2.881 1.00 1.00 C ATOM 769 C LYS A 47 16.166 0.118 -2.003 1.00 1.00 C ATOM 770 O LYS A 47 16.423 -0.816 -1.257 1.00 1.00 O ATOM 771 CB LYS A 47 18.335 1.439 -1.996 1.00 1.00 C ATOM 772 CG LYS A 47 19.392 2.234 -2.760 1.00 1.00 C ATOM 773 CD LYS A 47 20.173 1.360 -3.732 1.00 1.00 C ATOM 774 CE LYS A 47 21.178 2.171 -4.541 1.00 1.00 C ATOM 775 NZ LYS A 47 20.518 3.160 -5.436 1.00 1.00 N ATOM 0 H LYS A 47 16.506 2.714 -3.245 1.00 1.00 H new ATOM 0 HA LYS A 47 17.767 0.071 -3.518 1.00 1.00 H new ATOM 0 HB2 LYS A 47 17.850 2.101 -1.279 1.00 1.00 H new ATOM 0 HB3 LYS A 47 18.832 0.657 -1.422 1.00 1.00 H new ATOM 0 HG2 LYS A 47 18.910 3.044 -3.308 1.00 1.00 H new ATOM 0 HG3 LYS A 47 20.081 2.694 -2.052 1.00 1.00 H new ATOM 0 HD2 LYS A 47 20.696 0.580 -3.179 1.00 1.00 H new ATOM 0 HD3 LYS A 47 19.480 0.861 -4.409 1.00 1.00 H new ATOM 0 HE2 LYS A 47 21.851 2.693 -3.861 1.00 1.00 H new ATOM 0 HE3 LYS A 47 21.789 1.495 -5.139 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 21.216 3.541 -6.107 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 19.751 2.695 -5.962 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 20.126 3.936 -4.866 1.00 1.00 H new ATOM 789 N ASP A 48 14.949 0.703 -2.121 1.00 1.00 N ATOM 790 CA ASP A 48 13.695 0.326 -1.420 1.00 1.00 C ATOM 791 C ASP A 48 13.821 0.184 0.099 1.00 1.00 C ATOM 792 O ASP A 48 13.027 -0.488 0.766 1.00 1.00 O ATOM 793 CB ASP A 48 12.915 -0.826 -2.084 1.00 1.00 C ATOM 794 CG ASP A 48 13.632 -2.150 -2.191 1.00 1.00 C ATOM 795 OD1 ASP A 48 14.405 -2.332 -3.155 1.00 1.00 O ATOM 796 OD2 ASP A 48 13.367 -3.032 -1.347 1.00 1.00 O ATOM 0 H ASP A 48 14.807 1.498 -2.745 1.00 1.00 H new ATOM 0 HA ASP A 48 13.064 1.205 -1.554 1.00 1.00 H new ATOM 0 HB2 ASP A 48 11.993 -0.981 -1.524 1.00 1.00 H new ATOM 0 HB3 ASP A 48 12.629 -0.511 -3.087 1.00 1.00 H new ATOM 801 N HIS A 49 14.784 0.896 0.653 1.00 1.00 N ATOM 802 CA HIS A 49 14.965 0.937 2.092 1.00 1.00 C ATOM 803 C HIS A 49 14.137 2.098 2.671 1.00 1.00 C ATOM 804 O HIS A 49 13.639 2.943 1.925 1.00 1.00 O ATOM 805 CB HIS A 49 16.442 1.089 2.457 1.00 1.00 C ATOM 806 CG HIS A 49 17.231 -0.172 2.279 1.00 1.00 C ATOM 807 ND1 HIS A 49 18.302 -0.300 1.423 1.00 1.00 N ATOM 808 CD2 HIS A 49 17.084 -1.383 2.875 1.00 1.00 C ATOM 809 CE1 HIS A 49 18.761 -1.555 1.522 1.00 1.00 C ATOM 810 NE2 HIS A 49 18.057 -2.251 2.390 1.00 1.00 N ATOM 0 H HIS A 49 15.455 1.456 0.127 1.00 1.00 H new ATOM 0 HA HIS A 49 14.620 -0.003 2.521 1.00 1.00 H new ATOM 0 HB2 HIS A 49 16.882 1.874 1.842 1.00 1.00 H new ATOM 0 HB3 HIS A 49 16.521 1.415 3.494 1.00 1.00 H new ATOM 0 HD2 HIS A 49 16.332 -1.633 3.609 1.00 1.00 H new ATOM 0 HE1 HIS A 49 19.599 -1.945 0.963 1.00 1.00 H new ATOM 0 HE2 HIS A 49 18.196 -3.227 2.653 1.00 1.00 H new ATOM 818 N HIS A 50 13.972 2.112 3.994 1.00 1.00 N ATOM 819 CA HIS A 50 13.172 3.144 4.697 1.00 1.00 C ATOM 820 C HIS A 50 11.722 3.087 4.243 1.00 1.00 C ATOM 821 O HIS A 50 10.956 4.032 4.411 1.00 1.00 O ATOM 822 CB HIS A 50 13.704 4.562 4.464 1.00 1.00 C ATOM 823 CG HIS A 50 15.110 4.770 4.913 1.00 1.00 C ATOM 824 ND1 HIS A 50 16.119 5.191 4.082 1.00 1.00 N ATOM 825 CD2 HIS A 50 15.668 4.620 6.139 1.00 1.00 C ATOM 826 CE1 HIS A 50 17.237 5.282 4.808 1.00 1.00 C ATOM 827 NE2 HIS A 50 17.017 4.946 6.065 1.00 1.00 N ATOM 0 H HIS A 50 14.383 1.416 4.616 1.00 1.00 H new ATOM 0 HA HIS A 50 13.249 2.923 5.762 1.00 1.00 H new ATOM 0 HB2 HIS A 50 13.636 4.793 3.401 1.00 1.00 H new ATOM 0 HB3 HIS A 50 13.060 5.270 4.986 1.00 1.00 H new ATOM 0 HD1 HIS A 50 16.031 5.398 3.087 1.00 1.00 H new ATOM 0 HD2 HIS A 50 15.148 4.299 7.030 1.00 1.00 H new ATOM 0 HE1 HIS A 50 18.195 5.590 4.417 1.00 1.00 H new ATOM 835 N SER A 51 11.347 1.941 3.722 1.00 1.00 N ATOM 836 CA SER A 51 10.019 1.749 3.176 1.00 1.00 C ATOM 837 C SER A 51 9.427 0.414 3.614 1.00 1.00 C ATOM 838 O SER A 51 8.294 0.351 4.086 1.00 1.00 O ATOM 839 CB SER A 51 10.108 1.796 1.647 1.00 1.00 C ATOM 840 OG SER A 51 10.772 2.972 1.195 1.00 1.00 O ATOM 0 H SER A 51 11.948 1.119 3.664 1.00 1.00 H new ATOM 0 HA SER A 51 9.367 2.540 3.547 1.00 1.00 H new ATOM 0 HB2 SER A 51 10.640 0.916 1.286 1.00 1.00 H new ATOM 0 HB3 SER A 51 9.105 1.758 1.223 1.00 1.00 H new ATOM 0 HG SER A 51 10.109 3.667 0.998 1.00 1.00 H new ATOM 846 N HIS A 52 10.223 -0.646 3.507 1.00 1.00 N ATOM 847 CA HIS A 52 9.762 -1.994 3.858 1.00 1.00 C ATOM 848 C HIS A 52 9.798 -2.252 5.359 1.00 1.00 C ATOM 849 O HIS A 52 10.265 -3.285 5.825 1.00 1.00 O ATOM 850 CB HIS A 52 10.568 -3.048 3.106 1.00 1.00 C ATOM 851 CG HIS A 52 10.174 -3.154 1.666 1.00 1.00 C ATOM 852 ND1 HIS A 52 10.723 -2.399 0.651 1.00 1.00 N ATOM 853 CD2 HIS A 52 9.234 -3.937 1.081 1.00 1.00 C ATOM 854 CE1 HIS A 52 10.107 -2.736 -0.491 1.00 1.00 C ATOM 855 NE2 HIS A 52 9.196 -3.666 -0.281 1.00 1.00 N ATOM 0 H HIS A 52 11.189 -0.602 3.181 1.00 1.00 H new ATOM 0 HA HIS A 52 8.718 -2.064 3.553 1.00 1.00 H new ATOM 0 HB2 HIS A 52 11.628 -2.805 3.172 1.00 1.00 H new ATOM 0 HB3 HIS A 52 10.433 -4.016 3.588 1.00 1.00 H new ATOM 0 HD1 HIS A 52 11.466 -1.707 0.751 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.613 -4.657 1.593 1.00 1.00 H new ATOM 0 HE1 HIS A 52 10.328 -2.303 -1.455 1.00 1.00 H new ATOM 863 N ARG A 53 9.293 -1.293 6.105 1.00 1.00 N ATOM 864 CA ARG A 53 9.207 -1.415 7.547 1.00 1.00 C ATOM 865 C ARG A 53 7.953 -2.197 7.888 1.00 1.00 C ATOM 866 O ARG A 53 7.978 -3.166 8.635 1.00 1.00 O ATOM 867 CB ARG A 53 9.146 -0.032 8.180 1.00 1.00 C ATOM 868 CG ARG A 53 10.402 0.788 7.963 1.00 1.00 C ATOM 869 CD ARG A 53 10.218 2.211 8.470 1.00 1.00 C ATOM 870 NE ARG A 53 11.444 3.008 8.358 1.00 1.00 N ATOM 871 CZ ARG A 53 11.475 4.288 8.086 1.00 1.00 C ATOM 872 NH1 ARG A 53 10.397 4.925 7.760 1.00 1.00 N ATOM 873 NH2 ARG A 53 12.604 4.918 8.114 1.00 1.00 N ATOM 0 H ARG A 53 8.933 -0.413 5.735 1.00 1.00 H new ATOM 0 HA ARG A 53 10.085 -1.934 7.932 1.00 1.00 H new ATOM 0 HB2 ARG A 53 8.293 0.509 7.770 1.00 1.00 H new ATOM 0 HB3 ARG A 53 8.972 -0.138 9.251 1.00 1.00 H new ATOM 0 HG2 ARG A 53 11.240 0.320 8.479 1.00 1.00 H new ATOM 0 HG3 ARG A 53 10.651 0.805 6.902 1.00 1.00 H new ATOM 0 HD2 ARG A 53 9.421 2.695 7.905 1.00 1.00 H new ATOM 0 HD3 ARG A 53 9.899 2.184 9.512 1.00 1.00 H new ATOM 0 HE ARG A 53 12.334 2.532 8.502 1.00 1.00 H new ATOM 0 HH11 ARG A 53 9.507 4.430 7.712 1.00 1.00 H new ATOM 0 HH12 ARG A 53 10.438 5.923 7.551 1.00 1.00 H new ATOM 0 HH21 ARG A 53 13.462 4.417 8.347 1.00 1.00 H new ATOM 0 HH22 ARG A 53 12.637 5.915 7.903 1.00 1.00 H new ATOM 887 N GLY A 54 6.854 -1.766 7.305 1.00 1.00 N ATOM 888 CA GLY A 54 5.600 -2.433 7.529 1.00 1.00 C ATOM 889 C GLY A 54 4.654 -2.289 6.350 1.00 1.00 C ATOM 890 O GLY A 54 3.440 -2.286 6.532 1.00 1.00 O ATOM 0 H GLY A 54 6.808 -0.963 6.678 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.782 -3.491 7.719 1.00 1.00 H new ATOM 0 HA3 GLY A 54 5.128 -2.025 8.423 1.00 1.00 H new ATOM 894 N LEU A 55 5.181 -2.210 5.119 1.00 1.00 N ATOM 895 CA LEU A 55 4.282 -2.043 3.972 1.00 1.00 C ATOM 896 C LEU A 55 3.624 -3.369 3.606 1.00 1.00 C ATOM 897 O LEU A 55 2.790 -3.453 2.704 1.00 1.00 O ATOM 898 CB LEU A 55 4.915 -1.303 2.772 1.00 1.00 C ATOM 899 CG LEU A 55 6.159 -1.887 2.074 1.00 1.00 C ATOM 900 CD1 LEU A 55 5.819 -3.116 1.244 1.00 1.00 C ATOM 901 CD2 LEU A 55 6.785 -0.816 1.176 1.00 1.00 C ATOM 0 H LEU A 55 6.176 -2.256 4.899 1.00 1.00 H new ATOM 0 HA LEU A 55 3.488 -1.365 4.287 1.00 1.00 H new ATOM 0 HB2 LEU A 55 4.140 -1.193 2.014 1.00 1.00 H new ATOM 0 HB3 LEU A 55 5.174 -0.300 3.110 1.00 1.00 H new ATOM 0 HG LEU A 55 6.865 -2.194 2.845 1.00 1.00 H new ATOM 0 HD11 LEU A 55 6.724 -3.496 0.769 1.00 1.00 H new ATOM 0 HD12 LEU A 55 5.397 -3.886 1.890 1.00 1.00 H new ATOM 0 HD13 LEU A 55 5.092 -2.848 0.477 1.00 1.00 H new ATOM 0 HD21 LEU A 55 7.665 -1.226 0.681 1.00 1.00 H new ATOM 0 HD22 LEU A 55 6.060 -0.501 0.426 1.00 1.00 H new ATOM 0 HD23 LEU A 55 7.076 0.042 1.782 1.00 1.00 H new ATOM 913 N LEU A 56 3.993 -4.402 4.357 1.00 1.00 N ATOM 914 CA LEU A 56 3.389 -5.708 4.225 1.00 1.00 C ATOM 915 C LEU A 56 1.946 -5.595 4.696 1.00 1.00 C ATOM 916 O LEU A 56 1.047 -6.263 4.193 1.00 1.00 O ATOM 917 CB LEU A 56 4.119 -6.704 5.109 1.00 1.00 C ATOM 918 CG LEU A 56 5.513 -7.107 4.645 1.00 1.00 C ATOM 919 CD1 LEU A 56 6.113 -8.085 5.636 1.00 1.00 C ATOM 920 CD2 LEU A 56 5.467 -7.720 3.253 1.00 1.00 C ATOM 0 H LEU A 56 4.719 -4.350 5.071 1.00 1.00 H new ATOM 0 HA LEU A 56 3.441 -6.047 3.190 1.00 1.00 H new ATOM 0 HB2 LEU A 56 4.198 -6.282 6.111 1.00 1.00 H new ATOM 0 HB3 LEU A 56 3.509 -7.604 5.190 1.00 1.00 H new ATOM 0 HG LEU A 56 6.138 -6.216 4.596 1.00 1.00 H new ATOM 0 HD11 LEU A 56 7.110 -8.373 5.304 1.00 1.00 H new ATOM 0 HD12 LEU A 56 6.179 -7.615 6.617 1.00 1.00 H new ATOM 0 HD13 LEU A 56 5.482 -8.971 5.700 1.00 1.00 H new ATOM 0 HD21 LEU A 56 6.475 -7.999 2.945 1.00 1.00 H new ATOM 0 HD22 LEU A 56 4.833 -8.607 3.267 1.00 1.00 H new ATOM 0 HD23 LEU A 56 5.060 -6.994 2.549 1.00 1.00 H new ATOM 932 N MET A 57 1.746 -4.720 5.687 1.00 1.00 N ATOM 933 CA MET A 57 0.422 -4.462 6.224 1.00 1.00 C ATOM 934 C MET A 57 -0.407 -3.726 5.170 1.00 1.00 C ATOM 935 O MET A 57 -1.620 -3.878 5.110 1.00 1.00 O ATOM 936 CB MET A 57 0.514 -3.644 7.517 1.00 1.00 C ATOM 937 CG MET A 57 -0.835 -3.371 8.164 1.00 1.00 C ATOM 938 SD MET A 57 -0.705 -2.461 9.717 1.00 1.00 S ATOM 939 CE MET A 57 0.090 -0.944 9.183 1.00 1.00 C ATOM 0 H MET A 57 2.491 -4.182 6.129 1.00 1.00 H new ATOM 0 HA MET A 57 -0.063 -5.407 6.467 1.00 1.00 H new ATOM 0 HB2 MET A 57 1.147 -4.174 8.228 1.00 1.00 H new ATOM 0 HB3 MET A 57 1.003 -2.694 7.302 1.00 1.00 H new ATOM 0 HG2 MET A 57 -1.456 -2.806 7.470 1.00 1.00 H new ATOM 0 HG3 MET A 57 -1.342 -4.318 8.346 1.00 1.00 H new ATOM 0 HE1 MET A 57 -0.343 -0.099 9.718 1.00 1.00 H new ATOM 0 HE2 MET A 57 1.158 -0.999 9.394 1.00 1.00 H new ATOM 0 HE3 MET A 57 -0.062 -0.811 8.112 1.00 1.00 H new ATOM 949 N MET A 58 0.271 -2.943 4.324 1.00 1.00 N ATOM 950 CA MET A 58 -0.405 -2.225 3.241 1.00 1.00 C ATOM 951 C MET A 58 -0.882 -3.234 2.195 1.00 1.00 C ATOM 952 O MET A 58 -2.039 -3.221 1.774 1.00 1.00 O ATOM 953 CB MET A 58 0.526 -1.202 2.586 1.00 1.00 C ATOM 954 CG MET A 58 0.927 -0.054 3.498 1.00 1.00 C ATOM 955 SD MET A 58 -0.488 0.848 4.161 1.00 1.00 S ATOM 956 CE MET A 58 -1.351 1.302 2.657 1.00 1.00 C ATOM 0 H MET A 58 1.279 -2.792 4.368 1.00 1.00 H new ATOM 0 HA MET A 58 -1.255 -1.685 3.659 1.00 1.00 H new ATOM 0 HB2 MET A 58 1.427 -1.713 2.245 1.00 1.00 H new ATOM 0 HB3 MET A 58 0.036 -0.795 1.701 1.00 1.00 H new ATOM 0 HG2 MET A 58 1.521 -0.444 4.324 1.00 1.00 H new ATOM 0 HG3 MET A 58 1.564 0.636 2.945 1.00 1.00 H new ATOM 0 HE1 MET A 58 -2.145 2.011 2.893 1.00 1.00 H new ATOM 0 HE2 MET A 58 -0.650 1.761 1.960 1.00 1.00 H new ATOM 0 HE3 MET A 58 -1.784 0.411 2.203 1.00 1.00 H new ATOM 966 N VAL A 59 0.030 -4.116 1.779 1.00 1.00 N ATOM 967 CA VAL A 59 -0.299 -5.174 0.826 1.00 1.00 C ATOM 968 C VAL A 59 -1.394 -6.061 1.428 1.00 1.00 C ATOM 969 O VAL A 59 -2.371 -6.418 0.764 1.00 1.00 O ATOM 970 CB VAL A 59 0.944 -6.034 0.486 1.00 1.00 C ATOM 971 CG1 VAL A 59 0.601 -7.140 -0.502 1.00 1.00 C ATOM 972 CG2 VAL A 59 2.063 -5.163 -0.065 1.00 1.00 C ATOM 0 H VAL A 59 1.002 -4.117 2.088 1.00 1.00 H new ATOM 0 HA VAL A 59 -0.649 -4.715 -0.098 1.00 1.00 H new ATOM 0 HB VAL A 59 1.285 -6.502 1.410 1.00 1.00 H new ATOM 0 HG11 VAL A 59 1.495 -7.724 -0.719 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -0.161 -7.789 -0.071 1.00 1.00 H new ATOM 0 HG13 VAL A 59 0.223 -6.699 -1.424 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.927 -5.785 -0.298 1.00 1.00 H new ATOM 0 HG22 VAL A 59 1.722 -4.662 -0.971 1.00 1.00 H new ATOM 0 HG23 VAL A 59 2.343 -4.417 0.679 1.00 1.00 H new ATOM 982 N GLY A 60 -1.222 -6.385 2.707 1.00 1.00 N ATOM 983 CA GLY A 60 -2.196 -7.187 3.425 1.00 1.00 C ATOM 984 C GLY A 60 -3.550 -6.493 3.546 1.00 1.00 C ATOM 985 O GLY A 60 -4.592 -7.138 3.471 1.00 1.00 O ATOM 0 H GLY A 60 -0.415 -6.102 3.264 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -2.325 -8.141 2.913 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -1.815 -7.409 4.422 1.00 1.00 H new ATOM 989 N GLN A 61 -3.534 -5.171 3.715 1.00 1.00 N ATOM 990 CA GLN A 61 -4.766 -4.387 3.834 1.00 1.00 C ATOM 991 C GLN A 61 -5.507 -4.416 2.502 1.00 1.00 C ATOM 992 O GLN A 61 -6.740 -4.463 2.449 1.00 1.00 O ATOM 993 CB GLN A 61 -4.442 -2.945 4.234 1.00 1.00 C ATOM 994 CG GLN A 61 -5.659 -2.047 4.393 1.00 1.00 C ATOM 995 CD GLN A 61 -5.286 -0.640 4.819 1.00 1.00 C ATOM 996 OE1 GLN A 61 -4.215 -0.142 4.501 1.00 1.00 O ATOM 997 NE2 GLN A 61 -6.170 0.015 5.540 1.00 1.00 N ATOM 0 H GLN A 61 -2.679 -4.618 3.773 1.00 1.00 H new ATOM 0 HA GLN A 61 -5.399 -4.820 4.609 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -3.890 -2.957 5.174 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -3.782 -2.512 3.482 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -6.203 -2.006 3.449 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -6.334 -2.481 5.131 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -7.054 -0.428 5.789 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -5.971 0.966 5.850 1.00 1.00 H new ATOM 1006 N ARG A 62 -4.731 -4.429 1.417 1.00 1.00 N ATOM 1007 CA ARG A 62 -5.290 -4.487 0.095 1.00 1.00 C ATOM 1008 C ARG A 62 -5.940 -5.859 -0.092 1.00 1.00 C ATOM 1009 O ARG A 62 -7.054 -5.968 -0.599 1.00 1.00 O ATOM 1010 CB ARG A 62 -4.188 -4.229 -0.940 1.00 1.00 C ATOM 1011 CG ARG A 62 -4.676 -4.237 -2.382 1.00 1.00 C ATOM 1012 CD ARG A 62 -3.600 -3.755 -3.370 1.00 1.00 C ATOM 1013 NE ARG A 62 -2.392 -4.605 -3.376 1.00 1.00 N ATOM 1014 CZ ARG A 62 -1.285 -4.334 -4.034 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -1.192 -3.279 -4.780 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -0.271 -5.140 -3.952 1.00 1.00 N ATOM 0 H ARG A 62 -3.712 -4.400 1.444 1.00 1.00 H new ATOM 0 HA ARG A 62 -6.051 -3.719 -0.042 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -3.725 -3.265 -0.730 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -3.413 -4.986 -0.826 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -4.986 -5.246 -2.652 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -5.556 -3.599 -2.468 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -4.023 -3.730 -4.374 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -3.316 -2.733 -3.118 1.00 1.00 H new ATOM 0 HE ARG A 62 -2.418 -5.466 -2.830 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -1.985 -2.643 -4.864 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -0.326 -3.085 -5.283 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -0.333 -5.981 -3.379 1.00 1.00 H new ATOM 0 HH22 ARG A 62 0.588 -4.932 -4.461 1.00 1.00 H new ATOM 1030 N ARG A 63 -5.241 -6.905 0.365 1.00 1.00 N ATOM 1031 CA ARG A 63 -5.759 -8.271 0.296 1.00 1.00 C ATOM 1032 C ARG A 63 -7.028 -8.401 1.156 1.00 1.00 C ATOM 1033 O ARG A 63 -7.936 -9.165 0.830 1.00 1.00 O ATOM 1034 CB ARG A 63 -4.696 -9.278 0.765 1.00 1.00 C ATOM 1035 CG ARG A 63 -3.450 -9.313 -0.115 1.00 1.00 C ATOM 1036 CD ARG A 63 -2.416 -10.340 0.373 1.00 1.00 C ATOM 1037 NE ARG A 63 -2.881 -11.735 0.251 1.00 1.00 N ATOM 1038 CZ ARG A 63 -2.158 -12.798 0.544 1.00 1.00 C ATOM 1039 NH1 ARG A 63 -0.953 -12.678 1.002 1.00 1.00 N ATOM 1040 NH2 ARG A 63 -2.655 -13.985 0.375 1.00 1.00 N ATOM 0 H ARG A 63 -4.315 -6.828 0.786 1.00 1.00 H new ATOM 0 HA ARG A 63 -6.010 -8.492 -0.741 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -4.402 -9.033 1.786 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -5.139 -10.274 0.791 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -3.738 -9.550 -1.139 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -2.994 -8.323 -0.134 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -1.496 -10.219 -0.198 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -2.173 -10.134 1.416 1.00 1.00 H new ATOM 0 HE ARG A 63 -3.832 -11.888 -0.085 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -0.550 -11.751 1.141 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -0.407 -13.510 1.224 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -3.603 -14.094 0.016 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -2.097 -14.808 0.601 1.00 1.00 H new ATOM 1054 N ARG A 64 -7.079 -7.648 2.259 1.00 1.00 N ATOM 1055 CA ARG A 64 -8.244 -7.656 3.146 1.00 1.00 C ATOM 1056 C ARG A 64 -9.479 -7.078 2.465 1.00 1.00 C ATOM 1057 O ARG A 64 -10.526 -7.717 2.410 1.00 1.00 O ATOM 1058 CB ARG A 64 -8.021 -6.805 4.403 1.00 1.00 C ATOM 1059 CG ARG A 64 -6.962 -7.299 5.372 1.00 1.00 C ATOM 1060 CD ARG A 64 -6.833 -6.334 6.558 1.00 1.00 C ATOM 1061 NE ARG A 64 -5.763 -6.710 7.497 1.00 1.00 N ATOM 1062 CZ ARG A 64 -5.441 -6.033 8.574 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -6.059 -4.938 8.885 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -4.487 -6.463 9.338 1.00 1.00 N ATOM 0 H ARG A 64 -6.328 -7.026 2.558 1.00 1.00 H new ATOM 0 HA ARG A 64 -8.390 -8.704 3.406 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -7.754 -5.796 4.090 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -8.967 -6.732 4.939 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -7.224 -8.294 5.731 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -6.004 -7.387 4.860 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -6.641 -5.329 6.182 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -7.782 -6.298 7.094 1.00 1.00 H new ATOM 0 HE ARG A 64 -5.234 -7.558 7.296 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -6.809 -4.589 8.289 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -5.795 -4.425 9.726 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -3.992 -7.323 9.101 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -4.231 -5.942 10.177 1.00 1.00 H new ATOM 1078 N LEU A 65 -9.364 -5.874 1.919 1.00 1.00 N ATOM 1079 CA LEU A 65 -10.541 -5.241 1.341 1.00 1.00 C ATOM 1080 C LEU A 65 -10.906 -5.792 -0.048 1.00 1.00 C ATOM 1081 O LEU A 65 -12.072 -5.731 -0.435 1.00 1.00 O ATOM 1082 CB LEU A 65 -10.459 -3.709 1.365 1.00 1.00 C ATOM 1083 CG LEU A 65 -10.540 -3.056 2.770 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -11.500 -3.804 3.694 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -9.169 -2.950 3.421 1.00 1.00 C ATOM 0 H LEU A 65 -8.501 -5.333 1.864 1.00 1.00 H new ATOM 0 HA LEU A 65 -11.371 -5.514 1.993 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -9.523 -3.406 0.896 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -11.267 -3.310 0.751 1.00 1.00 H new ATOM 0 HG LEU A 65 -10.929 -2.049 2.618 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -11.526 -3.313 4.667 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -12.500 -3.801 3.259 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -11.160 -4.833 3.816 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -9.267 -2.488 4.403 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -8.740 -3.946 3.530 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -8.516 -2.340 2.797 1.00 1.00 H new ATOM 1097 N LEU A 66 -9.947 -6.322 -0.818 1.00 1.00 N ATOM 1098 CA LEU A 66 -10.326 -6.939 -2.094 1.00 1.00 C ATOM 1099 C LEU A 66 -11.175 -8.182 -1.781 1.00 1.00 C ATOM 1100 O LEU A 66 -12.155 -8.480 -2.459 1.00 1.00 O ATOM 1101 CB LEU A 66 -9.109 -7.259 -3.001 1.00 1.00 C ATOM 1102 CG LEU A 66 -8.027 -8.238 -2.489 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -8.454 -9.698 -2.625 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -6.727 -8.016 -3.262 1.00 1.00 C ATOM 0 H LEU A 66 -8.952 -6.338 -0.596 1.00 1.00 H new ATOM 0 HA LEU A 66 -10.912 -6.229 -2.678 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -9.494 -7.657 -3.940 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -8.615 -6.315 -3.233 1.00 1.00 H new ATOM 0 HG LEU A 66 -7.879 -8.034 -1.428 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -7.660 -10.345 -2.252 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -9.362 -9.867 -2.046 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -8.645 -9.925 -3.674 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -5.966 -8.707 -2.900 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -6.900 -8.191 -4.324 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -6.387 -6.991 -3.115 1.00 1.00 H new ATOM 1116 N ARG A 67 -10.823 -8.848 -0.678 1.00 1.00 N ATOM 1117 CA ARG A 67 -11.538 -10.029 -0.195 1.00 1.00 C ATOM 1118 C ARG A 67 -12.982 -9.658 0.168 1.00 1.00 C ATOM 1119 O ARG A 67 -13.916 -10.431 -0.060 1.00 1.00 O ATOM 1120 CB ARG A 67 -10.798 -10.577 1.027 1.00 1.00 C ATOM 1121 CG ARG A 67 -11.413 -11.803 1.678 1.00 1.00 C ATOM 1122 CD ARG A 67 -10.569 -12.243 2.875 1.00 1.00 C ATOM 1123 NE ARG A 67 -11.142 -13.390 3.590 1.00 1.00 N ATOM 1124 CZ ARG A 67 -10.567 -14.007 4.592 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -9.391 -13.657 5.002 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -11.179 -14.983 5.176 1.00 1.00 N ATOM 0 H ARG A 67 -10.031 -8.581 -0.094 1.00 1.00 H new ATOM 0 HA ARG A 67 -11.573 -10.792 -0.973 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -9.777 -10.820 0.731 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -10.734 -9.786 1.774 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -12.430 -11.581 2.002 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -11.480 -12.614 0.953 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -9.567 -12.500 2.531 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -10.464 -11.406 3.566 1.00 1.00 H new ATOM 0 HE ARG A 67 -12.053 -13.731 3.284 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -8.898 -12.891 4.544 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -8.957 -14.147 5.784 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -12.104 -15.269 4.856 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -10.737 -15.468 5.957 1.00 1.00 H new ATOM 1140 N TYR A 68 -13.146 -8.462 0.733 1.00 1.00 N ATOM 1141 CA TYR A 68 -14.463 -7.956 1.102 1.00 1.00 C ATOM 1142 C TYR A 68 -15.337 -7.790 -0.134 1.00 1.00 C ATOM 1143 O TYR A 68 -16.464 -8.276 -0.174 1.00 1.00 O ATOM 1144 CB TYR A 68 -14.355 -6.609 1.831 1.00 1.00 C ATOM 1145 CG TYR A 68 -15.698 -5.954 2.110 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -16.488 -6.374 3.174 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -16.177 -4.921 1.308 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -17.716 -5.787 3.430 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -17.403 -4.331 1.557 1.00 1.00 C ATOM 1150 CZ TYR A 68 -18.167 -4.766 2.619 1.00 1.00 C ATOM 1151 OH TYR A 68 -19.387 -4.177 2.868 1.00 1.00 O ATOM 0 H TYR A 68 -12.378 -7.825 0.945 1.00 1.00 H new ATOM 0 HA TYR A 68 -14.918 -8.684 1.774 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -13.831 -6.758 2.775 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -13.747 -5.930 1.233 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -16.138 -7.172 3.812 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -15.581 -4.575 0.477 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -18.317 -6.127 4.260 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -17.760 -3.533 0.922 1.00 1.00 H new ATOM 0 HH TYR A 68 -19.553 -3.475 2.205 1.00 1.00 H new ATOM 1161 N LEU A 69 -14.824 -7.135 -1.169 1.00 1.00 N ATOM 1162 CA LEU A 69 -15.642 -6.946 -2.354 1.00 1.00 C ATOM 1163 C LEU A 69 -15.731 -8.218 -3.197 1.00 1.00 C ATOM 1164 O LEU A 69 -16.509 -8.289 -4.145 1.00 1.00 O ATOM 1165 CB LEU A 69 -15.246 -5.704 -3.139 1.00 1.00 C ATOM 1166 CG LEU A 69 -15.770 -4.418 -2.488 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -15.362 -3.203 -3.281 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -17.287 -4.460 -2.348 1.00 1.00 C ATOM 0 H LEU A 69 -13.884 -6.741 -1.212 1.00 1.00 H new ATOM 0 HA LEU A 69 -16.661 -6.751 -2.019 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -14.160 -5.655 -3.215 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -15.633 -5.779 -4.155 1.00 1.00 H new ATOM 0 HG LEU A 69 -15.327 -4.349 -1.495 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -15.747 -2.306 -2.796 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -14.274 -3.150 -3.331 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -15.769 -3.273 -4.290 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -17.635 -3.537 -1.884 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -17.741 -4.564 -3.334 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -17.572 -5.309 -1.726 1.00 1.00 H new ATOM 1180 N GLN A 70 -14.937 -9.233 -2.849 1.00 1.00 N ATOM 1181 CA GLN A 70 -15.065 -10.532 -3.500 1.00 1.00 C ATOM 1182 C GLN A 70 -16.305 -11.243 -2.936 1.00 1.00 C ATOM 1183 O GLN A 70 -16.523 -12.426 -3.177 1.00 1.00 O ATOM 1184 CB GLN A 70 -13.837 -11.417 -3.303 1.00 1.00 C ATOM 1185 CG GLN A 70 -12.611 -10.952 -4.067 1.00 1.00 C ATOM 1186 CD GLN A 70 -11.446 -11.917 -3.947 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -10.611 -12.013 -4.832 1.00 1.00 O ATOM 1188 NE2 GLN A 70 -11.377 -12.637 -2.843 1.00 1.00 N ATOM 0 H GLN A 70 -14.212 -9.180 -2.133 1.00 1.00 H new ATOM 0 HA GLN A 70 -15.162 -10.359 -4.572 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -13.597 -11.456 -2.240 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -14.081 -12.433 -3.612 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -12.869 -10.829 -5.119 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -12.307 -9.973 -3.696 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -12.091 -12.534 -2.121 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -10.610 -13.296 -2.711 1.00 1.00 H new ATOM 1197 N ARG A 71 -17.054 -10.551 -2.075 1.00 1.00 N ATOM 1198 CA ARG A 71 -18.315 -11.094 -1.579 1.00 1.00 C ATOM 1199 C ARG A 71 -19.429 -10.619 -2.518 1.00 1.00 C ATOM 1200 O ARG A 71 -20.449 -11.278 -2.684 1.00 1.00 O ATOM 1201 CB ARG A 71 -18.626 -10.663 -0.137 1.00 1.00 C ATOM 1202 CG ARG A 71 -17.581 -11.069 0.909 1.00 1.00 C ATOM 1203 CD ARG A 71 -17.372 -12.589 1.007 1.00 1.00 C ATOM 1204 NE ARG A 71 -16.714 -13.148 -0.184 1.00 1.00 N ATOM 1205 CZ ARG A 71 -16.256 -14.370 -0.297 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -16.283 -15.195 0.702 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -15.759 -14.751 -1.430 1.00 1.00 N ATOM 0 H ARG A 71 -16.813 -9.628 -1.713 1.00 1.00 H new ATOM 0 HA ARG A 71 -18.241 -12.181 -1.563 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -18.735 -9.579 -0.115 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -19.588 -11.086 0.152 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -16.631 -10.594 0.665 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -17.887 -10.688 1.884 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -16.771 -12.813 1.888 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -18.337 -13.076 1.147 1.00 1.00 H new ATOM 0 HE ARG A 71 -16.605 -12.532 -0.990 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -16.666 -14.897 1.599 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -15.921 -16.142 0.591 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -15.728 -14.103 -2.217 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -15.398 -15.699 -1.535 1.00 1.00 H new ATOM 1221 N GLU A 72 -19.184 -9.482 -3.167 1.00 1.00 N ATOM 1222 CA GLU A 72 -20.137 -8.904 -4.121 1.00 1.00 C ATOM 1223 C GLU A 72 -19.849 -9.507 -5.486 1.00 1.00 C ATOM 1224 O GLU A 72 -20.675 -10.191 -6.101 1.00 1.00 O ATOM 1225 CB GLU A 72 -19.950 -7.383 -4.189 1.00 1.00 C ATOM 1226 CG GLU A 72 -20.103 -6.696 -2.846 1.00 1.00 C ATOM 1227 CD GLU A 72 -21.474 -6.903 -2.241 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -22.396 -6.131 -2.584 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -21.624 -7.828 -1.419 1.00 1.00 O ATOM 0 H GLU A 72 -18.329 -8.938 -3.050 1.00 1.00 H new ATOM 0 HA GLU A 72 -21.160 -9.118 -3.810 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -18.960 -7.164 -4.590 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -20.676 -6.966 -4.887 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -19.346 -7.075 -2.160 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -19.920 -5.628 -2.965 1.00 1.00 H new ATOM 1236 N ASP A 73 -18.626 -9.257 -5.922 1.00 1.00 N ATOM 1237 CA ASP A 73 -18.108 -9.771 -7.156 1.00 1.00 C ATOM 1238 C ASP A 73 -16.891 -10.595 -6.771 1.00 1.00 C ATOM 1239 O ASP A 73 -15.794 -10.063 -6.601 1.00 1.00 O ATOM 1240 CB ASP A 73 -17.716 -8.638 -8.093 1.00 1.00 C ATOM 1241 CG ASP A 73 -18.904 -7.875 -8.644 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -19.634 -8.428 -9.498 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -19.081 -6.704 -8.257 1.00 1.00 O ATOM 0 H ASP A 73 -17.960 -8.678 -5.410 1.00 1.00 H new ATOM 0 HA ASP A 73 -18.850 -10.368 -7.686 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -17.064 -7.945 -7.561 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -17.139 -9.046 -8.923 1.00 1.00 H new ATOM 1248 N PRO A 74 -17.066 -11.900 -6.575 1.00 1.00 N ATOM 1249 CA PRO A 74 -15.990 -12.763 -6.119 1.00 1.00 C ATOM 1250 C PRO A 74 -14.956 -13.061 -7.173 1.00 1.00 C ATOM 1251 O PRO A 74 -13.907 -13.621 -6.872 1.00 1.00 O ATOM 1252 CB PRO A 74 -16.690 -14.049 -5.691 1.00 1.00 C ATOM 1253 CG PRO A 74 -18.157 -13.793 -5.846 1.00 1.00 C ATOM 1254 CD PRO A 74 -18.295 -12.656 -6.816 1.00 1.00 C ATOM 0 HA PRO A 74 -15.431 -12.276 -5.320 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -16.373 -14.889 -6.309 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -16.445 -14.302 -4.659 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -18.668 -14.682 -6.216 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -18.610 -13.541 -4.887 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -18.364 -13.005 -7.846 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -19.186 -12.059 -6.621 1.00 1.00 H new ATOM 1262 N GLU A 75 -15.219 -12.714 -8.405 1.00 1.00 N ATOM 1263 CA GLU A 75 -14.226 -12.993 -9.400 1.00 1.00 C ATOM 1264 C GLU A 75 -13.175 -11.891 -9.449 1.00 1.00 C ATOM 1265 O GLU A 75 -12.080 -12.026 -8.917 1.00 1.00 O ATOM 1266 CB GLU A 75 -14.831 -13.289 -10.790 1.00 1.00 C ATOM 1267 CG GLU A 75 -16.204 -12.678 -11.118 1.00 1.00 C ATOM 1268 CD GLU A 75 -16.182 -11.173 -11.324 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -16.178 -10.439 -10.315 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -16.151 -10.724 -12.488 1.00 1.00 O ATOM 0 H GLU A 75 -16.071 -12.259 -8.731 1.00 1.00 H new ATOM 0 HA GLU A 75 -13.726 -13.913 -9.099 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -14.123 -12.946 -11.544 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -14.911 -14.371 -10.897 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -16.594 -13.151 -12.019 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -16.896 -12.913 -10.310 1.00 1.00 H new ATOM 1277 N ARG A 76 -13.543 -10.768 -9.964 1.00 1.00 N ATOM 1278 CA ARG A 76 -12.602 -9.687 -10.142 1.00 1.00 C ATOM 1279 C ARG A 76 -12.649 -8.678 -8.988 1.00 1.00 C ATOM 1280 O ARG A 76 -11.867 -7.734 -8.985 1.00 1.00 O ATOM 1281 CB ARG A 76 -13.033 -8.995 -11.450 1.00 1.00 C ATOM 1282 CG ARG A 76 -11.932 -8.520 -12.397 1.00 1.00 C ATOM 1283 CD ARG A 76 -11.319 -7.177 -11.979 1.00 1.00 C ATOM 1284 NE ARG A 76 -10.221 -7.322 -11.002 1.00 1.00 N ATOM 1285 CZ ARG A 76 -9.003 -6.839 -11.147 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -8.668 -6.168 -12.201 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -8.125 -7.017 -10.209 1.00 1.00 N ATOM 0 H ARG A 76 -14.492 -10.562 -10.275 1.00 1.00 H new ATOM 0 HA ARG A 76 -11.581 -10.067 -10.171 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -13.674 -9.685 -11.999 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -13.645 -8.132 -11.187 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -11.146 -9.274 -12.439 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -12.340 -8.429 -13.403 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -10.944 -6.664 -12.865 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -12.098 -6.546 -11.551 1.00 1.00 H new ATOM 0 HE ARG A 76 -10.421 -7.838 -10.145 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -9.352 -6.004 -12.940 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -7.720 -5.803 -12.293 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -8.378 -7.529 -9.364 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -7.181 -6.645 -10.317 1.00 1.00 H new ATOM 1301 N TYR A 77 -13.463 -8.950 -7.949 1.00 1.00 N ATOM 1302 CA TYR A 77 -13.763 -7.923 -6.926 1.00 1.00 C ATOM 1303 C TYR A 77 -14.021 -6.670 -7.740 1.00 1.00 C ATOM 1304 O TYR A 77 -13.501 -5.580 -7.532 1.00 1.00 O ATOM 1305 CB TYR A 77 -12.757 -7.745 -5.757 1.00 1.00 C ATOM 1306 CG TYR A 77 -11.283 -7.623 -6.071 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -10.491 -8.751 -6.254 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -10.675 -6.377 -6.143 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -9.138 -8.635 -6.510 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -9.326 -6.253 -6.396 1.00 1.00 C ATOM 1311 CZ TYR A 77 -8.561 -7.383 -6.581 1.00 1.00 C ATOM 1312 OH TYR A 77 -7.215 -7.260 -6.841 1.00 1.00 O ATOM 0 H TYR A 77 -13.917 -9.850 -7.795 1.00 1.00 H new ATOM 0 HA TYR A 77 -14.620 -8.234 -6.328 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -13.050 -6.853 -5.203 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -12.881 -8.593 -5.084 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -10.940 -9.732 -6.195 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -11.271 -5.488 -5.998 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -8.535 -9.519 -6.654 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -8.871 -5.275 -6.449 1.00 1.00 H new ATOM 0 HH TYR A 77 -6.971 -6.311 -6.858 1.00 1.00 H new ATOM 1322 N ARG A 78 -14.840 -6.946 -8.745 1.00 1.00 N ATOM 1323 CA ARG A 78 -15.276 -6.031 -9.776 1.00 1.00 C ATOM 1324 C ARG A 78 -15.972 -4.822 -9.191 1.00 1.00 C ATOM 1325 O ARG A 78 -16.077 -3.779 -9.830 1.00 1.00 O ATOM 1326 CB ARG A 78 -16.200 -6.842 -10.655 1.00 1.00 C ATOM 1327 CG ARG A 78 -16.560 -6.260 -11.985 1.00 1.00 C ATOM 1328 CD ARG A 78 -17.289 -7.333 -12.776 1.00 1.00 C ATOM 1329 NE ARG A 78 -18.567 -7.690 -12.138 1.00 1.00 N ATOM 1330 CZ ARG A 78 -19.670 -7.971 -12.758 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -19.770 -7.856 -14.049 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -20.685 -8.367 -12.062 1.00 1.00 N ATOM 0 H ARG A 78 -15.240 -7.877 -8.864 1.00 1.00 H new ATOM 0 HA ARG A 78 -14.436 -5.627 -10.341 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -15.738 -7.814 -10.825 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -17.123 -7.020 -10.103 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -17.192 -5.381 -11.859 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -15.665 -5.935 -12.515 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -17.473 -6.979 -13.790 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -16.660 -8.219 -12.857 1.00 1.00 H new ATOM 0 HE ARG A 78 -18.586 -7.719 -11.119 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -18.970 -7.539 -14.596 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -20.649 -8.083 -14.515 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -20.606 -8.452 -11.049 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -21.564 -8.594 -12.526 1.00 1.00 H new ATOM 1346 N ALA A 79 -16.447 -4.951 -7.974 1.00 1.00 N ATOM 1347 CA ALA A 79 -17.073 -3.823 -7.337 1.00 1.00 C ATOM 1348 C ALA A 79 -16.007 -2.900 -6.755 1.00 1.00 C ATOM 1349 O ALA A 79 -16.263 -1.738 -6.469 1.00 1.00 O ATOM 1350 CB ALA A 79 -18.082 -4.247 -6.301 1.00 1.00 C ATOM 0 H ALA A 79 -16.413 -5.806 -7.418 1.00 1.00 H new ATOM 0 HA ALA A 79 -17.632 -3.269 -8.091 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -18.529 -3.363 -5.846 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -18.861 -4.845 -6.775 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -17.587 -4.840 -5.532 1.00 1.00 H new ATOM 1356 N LEU A 80 -14.788 -3.402 -6.589 1.00 1.00 N ATOM 1357 CA LEU A 80 -13.725 -2.543 -6.107 1.00 1.00 C ATOM 1358 C LEU A 80 -13.168 -1.808 -7.301 1.00 1.00 C ATOM 1359 O LEU A 80 -12.673 -0.690 -7.193 1.00 1.00 O ATOM 1360 CB LEU A 80 -12.610 -3.304 -5.406 1.00 1.00 C ATOM 1361 CG LEU A 80 -11.565 -2.419 -4.711 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -12.214 -1.481 -3.698 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -10.511 -3.283 -4.042 1.00 1.00 C ATOM 0 H LEU A 80 -14.521 -4.369 -6.775 1.00 1.00 H new ATOM 0 HA LEU A 80 -14.139 -1.863 -5.363 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -13.053 -3.969 -4.665 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -12.104 -3.934 -6.137 1.00 1.00 H new ATOM 0 HG LEU A 80 -11.086 -1.801 -5.470 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -11.446 -0.869 -3.225 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -12.930 -0.835 -4.207 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -12.730 -2.067 -2.938 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -9.775 -2.645 -3.552 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -10.985 -3.926 -3.300 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -10.015 -3.899 -4.792 1.00 1.00 H new ATOM 1375 N ILE A 81 -13.278 -2.431 -8.470 1.00 1.00 N ATOM 1376 CA ILE A 81 -12.803 -1.774 -9.662 1.00 1.00 C ATOM 1377 C ILE A 81 -13.786 -0.644 -9.979 1.00 1.00 C ATOM 1378 O ILE A 81 -13.409 0.418 -10.474 1.00 1.00 O ATOM 1379 CB ILE A 81 -12.512 -2.746 -10.855 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -13.755 -3.348 -11.532 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -11.626 -3.881 -10.354 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -14.429 -2.449 -12.548 1.00 1.00 C ATOM 0 H ILE A 81 -13.679 -3.359 -8.608 1.00 1.00 H new ATOM 0 HA ILE A 81 -11.815 -1.349 -9.484 1.00 1.00 H new ATOM 0 HB ILE A 81 -12.026 -2.140 -11.620 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -13.468 -4.277 -12.025 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -14.480 -3.607 -10.761 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -11.415 -4.567 -11.174 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -10.690 -3.471 -9.973 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -12.139 -4.418 -9.556 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -15.294 -2.961 -12.970 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -14.753 -1.529 -12.061 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -13.725 -2.209 -13.345 1.00 1.00 H new ATOM 1394 N GLU A 82 -15.050 -0.882 -9.623 1.00 1.00 N ATOM 1395 CA GLU A 82 -16.106 0.118 -9.747 1.00 1.00 C ATOM 1396 C GLU A 82 -15.867 1.274 -8.771 1.00 1.00 C ATOM 1397 O GLU A 82 -15.807 2.434 -9.161 1.00 1.00 O ATOM 1398 CB GLU A 82 -17.467 -0.499 -9.394 1.00 1.00 C ATOM 1399 CG GLU A 82 -18.608 0.515 -9.380 1.00 1.00 C ATOM 1400 CD GLU A 82 -19.861 0.004 -8.690 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -20.689 -0.642 -9.365 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -20.023 0.268 -7.472 1.00 1.00 O ATOM 0 H GLU A 82 -15.367 -1.773 -9.241 1.00 1.00 H new ATOM 0 HA GLU A 82 -16.099 0.477 -10.776 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -17.698 -1.285 -10.113 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -17.400 -0.972 -8.414 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -18.271 1.423 -8.880 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -18.853 0.789 -10.406 1.00 1.00 H new ATOM 1409 N LYS A 83 -15.671 0.935 -7.497 1.00 1.00 N ATOM 1410 CA LYS A 83 -15.520 1.953 -6.457 1.00 1.00 C ATOM 1411 C LYS A 83 -14.204 2.730 -6.522 1.00 1.00 C ATOM 1412 O LYS A 83 -14.176 3.912 -6.196 1.00 1.00 O ATOM 1413 CB LYS A 83 -15.736 1.353 -5.069 1.00 1.00 C ATOM 1414 CG LYS A 83 -17.185 0.944 -4.834 1.00 1.00 C ATOM 1415 CD LYS A 83 -18.132 2.119 -5.044 1.00 1.00 C ATOM 1416 CE LYS A 83 -19.564 1.788 -4.645 1.00 1.00 C ATOM 1417 NZ LYS A 83 -19.771 1.840 -3.172 1.00 1.00 N ATOM 0 H LYS A 83 -15.613 -0.027 -7.162 1.00 1.00 H new ATOM 0 HA LYS A 83 -16.300 2.689 -6.654 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -15.091 0.483 -4.948 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -15.438 2.078 -4.312 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -17.451 0.134 -5.513 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -17.297 0.560 -3.820 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -17.783 2.972 -4.462 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -18.109 2.418 -6.092 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -20.244 2.489 -5.129 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -19.819 0.793 -5.010 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -20.683 1.400 -2.934 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -19.003 1.325 -2.695 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -19.772 2.831 -2.856 1.00 1.00 H new ATOM 1431 N LEU A 84 -13.111 2.094 -6.911 1.00 1.00 N ATOM 1432 CA LEU A 84 -11.856 2.835 -7.024 1.00 1.00 C ATOM 1433 C LEU A 84 -11.857 3.652 -8.309 1.00 1.00 C ATOM 1434 O LEU A 84 -11.177 4.666 -8.419 1.00 1.00 O ATOM 1435 CB LEU A 84 -10.645 1.909 -6.993 1.00 1.00 C ATOM 1436 CG LEU A 84 -10.399 1.206 -5.659 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -9.161 0.331 -5.753 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -10.255 2.220 -4.531 1.00 1.00 C ATOM 0 H LEU A 84 -13.060 1.103 -7.147 1.00 1.00 H new ATOM 0 HA LEU A 84 -11.781 3.501 -6.164 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -10.766 1.152 -7.768 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -9.758 2.488 -7.250 1.00 1.00 H new ATOM 0 HG LEU A 84 -11.259 0.575 -5.435 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -8.993 -0.166 -4.798 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -9.303 -0.418 -6.532 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -8.297 0.949 -5.997 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -10.081 1.696 -3.591 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -9.413 2.880 -4.740 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -11.168 2.810 -4.453 1.00 1.00 H new ATOM 1450 N GLY A 85 -12.621 3.198 -9.285 1.00 1.00 N ATOM 1451 CA GLY A 85 -12.699 3.923 -10.535 1.00 1.00 C ATOM 1452 C GLY A 85 -11.607 3.515 -11.483 1.00 1.00 C ATOM 1453 O GLY A 85 -10.806 4.322 -11.943 1.00 1.00 O ATOM 0 H GLY A 85 -13.184 2.349 -9.238 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -13.669 3.745 -10.999 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -12.631 4.993 -10.340 1.00 1.00 H new ATOM 1457 N ILE A 86 -11.568 2.248 -11.764 1.00 1.00 N ATOM 1458 CA ILE A 86 -10.573 1.708 -12.650 1.00 1.00 C ATOM 1459 C ILE A 86 -11.060 1.821 -14.101 1.00 1.00 C ATOM 1460 O ILE A 86 -10.287 2.052 -15.038 1.00 1.00 O ATOM 1461 CB ILE A 86 -10.284 0.258 -12.229 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -9.288 0.262 -11.041 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -9.791 -0.584 -13.391 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -8.941 -1.117 -10.509 1.00 1.00 C ATOM 0 H ILE A 86 -12.220 1.559 -11.389 1.00 1.00 H new ATOM 0 HA ILE A 86 -9.640 2.269 -12.587 1.00 1.00 H new ATOM 0 HB ILE A 86 -11.214 -0.208 -11.903 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -8.370 0.759 -11.354 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -9.711 0.855 -10.230 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -9.599 -1.601 -13.048 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -10.549 -0.602 -14.174 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -8.870 -0.155 -13.786 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -8.239 -1.021 -9.680 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -9.848 -1.612 -10.161 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -8.486 -1.709 -11.303 1.00 1.00 H new ATOM 1476 N ARG A 87 -12.381 1.704 -14.318 1.00 1.00 N ATOM 1477 CA ARG A 87 -12.992 1.840 -15.685 1.00 1.00 C ATOM 1478 C ARG A 87 -13.420 3.322 -15.919 1.00 1.00 C ATOM 1479 O ARG A 87 -13.717 3.750 -17.025 1.00 1.00 O ATOM 1480 CB ARG A 87 -14.227 0.965 -15.754 1.00 1.00 C ATOM 1481 CG ARG A 87 -13.923 -0.497 -15.926 1.00 1.00 C ATOM 1482 CD ARG A 87 -15.211 -1.311 -16.025 1.00 1.00 C ATOM 1483 NE ARG A 87 -16.175 -0.737 -16.985 1.00 1.00 N ATOM 1484 CZ ARG A 87 -16.894 -1.424 -17.843 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -16.751 -2.705 -17.968 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -17.749 -0.806 -18.593 1.00 1.00 N ATOM 0 H ARG A 87 -13.058 1.516 -13.578 1.00 1.00 H new ATOM 0 HA ARG A 87 -12.267 1.541 -16.442 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -14.809 1.101 -14.843 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -14.851 1.297 -16.584 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -13.324 -0.645 -16.825 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -13.328 -0.851 -15.084 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -14.969 -2.331 -16.325 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -15.676 -1.370 -15.041 1.00 1.00 H new ATOM 0 HE ARG A 87 -16.292 0.276 -16.982 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -16.069 -3.201 -17.394 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -17.320 -3.218 -18.641 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -17.859 0.205 -18.514 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -18.312 -1.330 -19.263 1.00 1.00 H new ATOM 1500 N GLY A 88 -13.407 3.913 -14.727 1.00 1.00 N ATOM 1501 CA GLY A 88 -13.660 5.281 -14.363 1.00 1.00 C ATOM 1502 C GLY A 88 -14.975 5.486 -13.661 1.00 1.00 C ATOM 1503 O GLY A 88 -15.338 4.789 -12.740 1.00 1.00 O ATOM 1504 OXT GLY A 88 -15.661 6.503 -14.111 1.00 1.00 O ATOM 0 H GLY A 88 -13.190 3.362 -13.897 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -12.855 5.631 -13.717 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -13.638 5.897 -15.262 1.00 1.00 H new