USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 677 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 55 CYS SG : rot 43:sc= 0.962 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.5 K(o=0.46,f=1.4) USER MOD Set 2.1: A 36 SER OG : rot 60:sc= 0 USER MOD Set 2.2: A 42 MET CE :methyl -122:sc= -0.129 (180deg=-1.29) USER MOD Set 2.3: A 93 ASN : amide:sc= -4.62 K(o=-4.7,f=-7.6!) USER MOD Set 3.1: A 29 ASN : amide:sc= 0.522 K(o=1.1,f=0.15) USER MOD Set 3.2: A 31 TYR OH : rot 66:sc= 0.584 USER MOD Single : A 33 GLN : amide:sc= -1.89 K(o=-1.9,f=-3.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -103:sc= 1.09 USER MOD Single : A 43 MET CE :methyl 173:sc= -0.959 (180deg=-1.06) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.0192 X(o=0.019,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.385 K(o=-0.39,f=-1.6!) USER MOD Single : A 67 CYS SG : rot 162:sc= -1.91 USER MOD Single : A 73 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.0041) USER MOD Single : A 76 ASN : amide:sc= -0.0706 X(o=-0.071,f=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 82 MET CE :methyl -127:sc= -1.21 (180deg=-1.86) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 24:sc= 0.307 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -129:sc= -0.62 (180deg=-3.12!) USER MOD Single : A 109 ASN : amide:sc= -2.12 K(o=-2.1,f=-0.93) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= 0.263 X(o=0.26,f=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 457 N ASN A 29 5.293 -15.052 3.030 1.00 0.00 N ATOM 458 CA ASN A 29 4.426 -13.887 2.897 1.00 0.00 C ATOM 459 C ASN A 29 4.409 -13.383 1.457 1.00 0.00 C ATOM 460 O ASN A 29 5.427 -13.416 0.764 1.00 0.00 O ATOM 461 CB ASN A 29 4.889 -12.770 3.835 1.00 0.00 C ATOM 462 CG ASN A 29 6.400 -12.702 3.951 1.00 0.00 C ATOM 463 OD1 ASN A 29 7.102 -12.507 2.958 1.00 0.00 O ATOM 464 ND2 ASN A 29 6.908 -12.863 5.167 1.00 0.00 N ATOM 0 HA ASN A 29 3.414 -14.186 3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.512 -11.814 3.471 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.458 -12.927 4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.918 -12.827 5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.289 -13.022 5.962 1.00 0.00 H new ATOM 471 N LEU A 30 3.247 -12.917 1.013 1.00 0.00 N ATOM 472 CA LEU A 30 3.097 -12.405 -0.344 1.00 0.00 C ATOM 473 C LEU A 30 2.917 -10.890 -0.338 1.00 0.00 C ATOM 474 O LEU A 30 2.092 -10.355 0.403 1.00 0.00 O ATOM 475 CB LEU A 30 1.902 -13.068 -1.031 1.00 0.00 C ATOM 476 CG LEU A 30 2.114 -14.507 -1.505 1.00 0.00 C ATOM 477 CD1 LEU A 30 0.818 -15.085 -2.051 1.00 0.00 C ATOM 478 CD2 LEU A 30 3.212 -14.565 -2.557 1.00 0.00 C ATOM 0 H LEU A 30 2.395 -12.883 1.573 1.00 0.00 H new ATOM 0 HA LEU A 30 4.005 -12.643 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.058 -13.054 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.620 -12.461 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 30 2.425 -15.109 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.988 -16.109 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.059 -15.079 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.477 -14.482 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.350 -15.596 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.931 -13.949 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.144 -14.192 -2.132 1.00 0.00 H new ATOM 490 N TYR A 31 3.694 -10.204 -1.170 1.00 0.00 N ATOM 491 CA TYR A 31 3.621 -8.751 -1.260 1.00 0.00 C ATOM 492 C TYR A 31 2.755 -8.321 -2.441 1.00 0.00 C ATOM 493 O TYR A 31 2.744 -8.970 -3.487 1.00 0.00 O ATOM 494 CB TYR A 31 5.024 -8.157 -1.400 1.00 0.00 C ATOM 495 CG TYR A 31 6.013 -8.697 -0.391 1.00 0.00 C ATOM 496 CD1 TYR A 31 5.687 -8.775 0.957 1.00 0.00 C ATOM 497 CD2 TYR A 31 7.273 -9.127 -0.787 1.00 0.00 C ATOM 498 CE1 TYR A 31 6.588 -9.267 1.882 1.00 0.00 C ATOM 499 CE2 TYR A 31 8.179 -9.622 0.131 1.00 0.00 C ATOM 500 CZ TYR A 31 7.832 -9.690 1.464 1.00 0.00 C ATOM 501 OH TYR A 31 8.733 -10.180 2.381 1.00 0.00 O ATOM 0 H TYR A 31 4.381 -10.631 -1.791 1.00 0.00 H new ATOM 0 HA TYR A 31 3.165 -8.378 -0.343 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.396 -8.358 -2.405 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.963 -7.074 -1.293 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.713 -8.446 1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.549 -9.073 -1.830 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.319 -9.320 2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.154 -9.954 -0.194 1.00 0.00 H new ATOM 0 HH TYR A 31 8.396 -11.022 2.753 1.00 0.00 H new ATOM 511 N PHE A 32 2.030 -7.222 -2.264 1.00 0.00 N ATOM 512 CA PHE A 32 1.160 -6.703 -3.314 1.00 0.00 C ATOM 513 C PHE A 32 1.168 -5.178 -3.323 1.00 0.00 C ATOM 514 O PHE A 32 1.279 -4.541 -2.276 1.00 0.00 O ATOM 515 CB PHE A 32 -0.269 -7.215 -3.120 1.00 0.00 C ATOM 516 CG PHE A 32 -0.356 -8.707 -2.966 1.00 0.00 C ATOM 517 CD1 PHE A 32 0.124 -9.328 -1.824 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.916 -9.488 -3.964 1.00 0.00 C ATOM 519 CE1 PHE A 32 0.045 -10.701 -1.680 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.997 -10.861 -3.825 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.515 -11.468 -2.682 1.00 0.00 C ATOM 0 H PHE A 32 2.027 -6.673 -1.404 1.00 0.00 H new ATOM 0 HA PHE A 32 1.539 -7.056 -4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.700 -6.741 -2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.875 -6.910 -3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.565 -8.733 -1.038 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.293 -9.019 -4.861 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.421 -11.173 -0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.437 -11.459 -4.610 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.576 -12.541 -2.572 1.00 0.00 H new ATOM 531 N GLN A 33 1.051 -4.599 -4.514 1.00 0.00 N ATOM 532 CA GLN A 33 1.047 -3.148 -4.660 1.00 0.00 C ATOM 533 C GLN A 33 0.011 -2.708 -5.689 1.00 0.00 C ATOM 534 O GLN A 33 -0.244 -3.409 -6.667 1.00 0.00 O ATOM 535 CB GLN A 33 2.434 -2.651 -5.071 1.00 0.00 C ATOM 536 CG GLN A 33 3.548 -3.129 -4.153 1.00 0.00 C ATOM 537 CD GLN A 33 3.523 -2.446 -2.801 1.00 0.00 C ATOM 538 OE1 GLN A 33 2.518 -2.484 -2.091 1.00 0.00 O ATOM 539 NE2 GLN A 33 4.633 -1.815 -2.435 1.00 0.00 N ATOM 0 H GLN A 33 0.958 -5.112 -5.391 1.00 0.00 H new ATOM 0 HA GLN A 33 0.784 -2.712 -3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.644 -2.984 -6.087 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.430 -1.561 -5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.461 -4.206 -4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.511 -2.946 -4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.444 -1.808 -3.054 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.675 -1.337 -1.535 1.00 0.00 H new ATOM 548 N GLY A 34 -0.584 -1.541 -5.461 1.00 0.00 N ATOM 549 CA GLY A 34 -1.586 -1.027 -6.376 1.00 0.00 C ATOM 550 C GLY A 34 -2.728 -0.336 -5.658 1.00 0.00 C ATOM 551 O GLY A 34 -3.845 -0.850 -5.615 1.00 0.00 O ATOM 0 H GLY A 34 -0.390 -0.942 -4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.117 -0.325 -7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.981 -1.847 -6.975 1.00 0.00 H new ATOM 555 N SER A 35 -2.447 0.834 -5.091 1.00 0.00 N ATOM 556 CA SER A 35 -3.458 1.594 -4.366 1.00 0.00 C ATOM 557 C SER A 35 -4.577 2.040 -5.302 1.00 0.00 C ATOM 558 O SER A 35 -4.400 2.090 -6.520 1.00 0.00 O ATOM 559 CB SER A 35 -2.824 2.813 -3.694 1.00 0.00 C ATOM 560 OG SER A 35 -2.754 3.910 -4.588 1.00 0.00 O ATOM 0 H SER A 35 -1.528 1.275 -5.120 1.00 0.00 H new ATOM 0 HA SER A 35 -3.885 0.946 -3.600 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.407 3.092 -2.816 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.823 2.560 -3.345 1.00 0.00 H new ATOM 0 HG SER A 35 -2.346 4.677 -4.134 1.00 0.00 H new ATOM 566 N SER A 36 -5.730 2.363 -4.725 1.00 0.00 N ATOM 567 CA SER A 36 -6.880 2.801 -5.506 1.00 0.00 C ATOM 568 C SER A 36 -7.403 4.141 -4.998 1.00 0.00 C ATOM 569 O SER A 36 -8.589 4.446 -5.123 1.00 0.00 O ATOM 570 CB SER A 36 -7.992 1.752 -5.448 1.00 0.00 C ATOM 571 OG SER A 36 -8.252 1.357 -4.113 1.00 0.00 O ATOM 0 H SER A 36 -5.892 2.329 -3.719 1.00 0.00 H new ATOM 0 HA SER A 36 -6.560 2.924 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.901 2.156 -5.894 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.706 0.882 -6.039 1.00 0.00 H new ATOM 0 HG SER A 36 -8.531 2.137 -3.590 1.00 0.00 H new ATOM 577 N GLY A 37 -6.509 4.939 -4.423 1.00 0.00 N ATOM 578 CA GLY A 37 -6.898 6.238 -3.904 1.00 0.00 C ATOM 579 C GLY A 37 -6.339 6.500 -2.519 1.00 0.00 C ATOM 580 O GLY A 37 -5.184 6.897 -2.374 1.00 0.00 O ATOM 0 H GLY A 37 -5.522 4.710 -4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.553 7.016 -4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.986 6.302 -3.872 1.00 0.00 H new ATOM 584 N SER A 38 -7.162 6.278 -1.499 1.00 0.00 N ATOM 585 CA SER A 38 -6.746 6.498 -0.119 1.00 0.00 C ATOM 586 C SER A 38 -6.679 5.179 0.645 1.00 0.00 C ATOM 587 O SER A 38 -7.284 4.185 0.243 1.00 0.00 O ATOM 588 CB SER A 38 -7.711 7.457 0.580 1.00 0.00 C ATOM 589 OG SER A 38 -7.869 8.654 -0.163 1.00 0.00 O ATOM 0 H SER A 38 -8.121 5.946 -1.602 1.00 0.00 H new ATOM 0 HA SER A 38 -5.750 6.941 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.680 6.974 0.708 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.338 7.691 1.577 1.00 0.00 H new ATOM 0 HG SER A 38 -8.492 9.249 0.304 1.00 0.00 H new ATOM 595 N SER A 39 -5.938 5.179 1.748 1.00 0.00 N ATOM 596 CA SER A 39 -5.788 3.982 2.568 1.00 0.00 C ATOM 597 C SER A 39 -7.149 3.446 3.000 1.00 0.00 C ATOM 598 O SER A 39 -7.300 2.257 3.278 1.00 0.00 O ATOM 599 CB SER A 39 -4.932 4.285 3.799 1.00 0.00 C ATOM 600 OG SER A 39 -5.072 3.272 4.779 1.00 0.00 O ATOM 0 H SER A 39 -5.432 5.994 2.095 1.00 0.00 H new ATOM 0 HA SER A 39 -5.291 3.220 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.886 4.370 3.506 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.224 5.247 4.221 1.00 0.00 H new ATOM 0 HG SER A 39 -5.659 3.590 5.497 1.00 0.00 H new ATOM 606 N GLY A 40 -8.138 4.333 3.055 1.00 0.00 N ATOM 607 CA GLY A 40 -9.474 3.931 3.454 1.00 0.00 C ATOM 608 C GLY A 40 -10.144 3.043 2.425 1.00 0.00 C ATOM 609 O GLY A 40 -10.463 1.887 2.705 1.00 0.00 O ATOM 0 H GLY A 40 -8.038 5.323 2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.422 3.403 4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.084 4.820 3.615 1.00 0.00 H new ATOM 613 N ASP A 41 -10.361 3.584 1.231 1.00 0.00 N ATOM 614 CA ASP A 41 -10.999 2.834 0.156 1.00 0.00 C ATOM 615 C ASP A 41 -10.596 1.363 0.206 1.00 0.00 C ATOM 616 O ASP A 41 -11.448 0.475 0.191 1.00 0.00 O ATOM 617 CB ASP A 41 -10.627 3.431 -1.202 1.00 0.00 C ATOM 618 CG ASP A 41 -11.083 4.869 -1.347 1.00 0.00 C ATOM 619 OD1 ASP A 41 -10.771 5.684 -0.452 1.00 0.00 O ATOM 620 OD2 ASP A 41 -11.752 5.181 -2.354 1.00 0.00 O ATOM 0 H ASP A 41 -10.104 4.540 0.983 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.079 2.902 0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.546 3.381 -1.334 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.073 2.830 -1.994 1.00 0.00 H new ATOM 625 N MET A 42 -9.292 1.114 0.265 1.00 0.00 N ATOM 626 CA MET A 42 -8.777 -0.250 0.317 1.00 0.00 C ATOM 627 C MET A 42 -9.667 -1.134 1.185 1.00 0.00 C ATOM 628 O MET A 42 -10.337 -2.037 0.684 1.00 0.00 O ATOM 629 CB MET A 42 -7.347 -0.256 0.860 1.00 0.00 C ATOM 630 CG MET A 42 -6.285 -0.133 -0.221 1.00 0.00 C ATOM 631 SD MET A 42 -5.809 -1.730 -0.911 1.00 0.00 S ATOM 632 CE MET A 42 -5.550 -1.292 -2.629 1.00 0.00 C ATOM 0 H MET A 42 -8.573 1.838 0.278 1.00 0.00 H new ATOM 0 HA MET A 42 -8.775 -0.651 -0.697 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.232 0.566 1.566 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.182 -1.179 1.416 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.658 0.507 -1.020 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.404 0.356 0.194 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.203 -1.895 -3.261 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.779 -0.236 -2.774 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.511 -1.478 -2.899 1.00 0.00 H new ATOM 642 N MET A 43 -9.668 -0.869 2.487 1.00 0.00 N ATOM 643 CA MET A 43 -10.476 -1.641 3.423 1.00 0.00 C ATOM 644 C MET A 43 -11.789 -2.075 2.779 1.00 0.00 C ATOM 645 O MET A 43 -12.303 -3.156 3.063 1.00 0.00 O ATOM 646 CB MET A 43 -10.760 -0.820 4.683 1.00 0.00 C ATOM 647 CG MET A 43 -9.539 -0.092 5.222 1.00 0.00 C ATOM 648 SD MET A 43 -9.592 0.122 7.011 1.00 0.00 S ATOM 649 CE MET A 43 -9.254 -1.548 7.562 1.00 0.00 C ATOM 0 H MET A 43 -9.118 -0.126 2.918 1.00 0.00 H new ATOM 0 HA MET A 43 -9.914 -2.534 3.698 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.540 -0.091 4.464 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.150 -1.481 5.457 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.641 -0.648 4.953 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.464 0.885 4.745 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.130 -1.556 8.645 1.00 0.00 H new ATOM 0 HE2 MET A 43 -10.085 -2.197 7.287 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.340 -1.909 7.090 1.00 0.00 H new ATOM 659 N ARG A 44 -12.325 -1.225 1.909 1.00 0.00 N ATOM 660 CA ARG A 44 -13.579 -1.520 1.226 1.00 0.00 C ATOM 661 C ARG A 44 -13.326 -2.307 -0.057 1.00 0.00 C ATOM 662 O ARG A 44 -13.797 -3.434 -0.208 1.00 0.00 O ATOM 663 CB ARG A 44 -14.326 -0.225 0.903 1.00 0.00 C ATOM 664 CG ARG A 44 -14.970 0.425 2.117 1.00 0.00 C ATOM 665 CD ARG A 44 -15.038 1.937 1.969 1.00 0.00 C ATOM 666 NE ARG A 44 -16.278 2.368 1.328 1.00 0.00 N ATOM 667 CZ ARG A 44 -17.442 2.455 1.962 1.00 0.00 C ATOM 668 NH1 ARG A 44 -17.525 2.143 3.247 1.00 0.00 N ATOM 669 NH2 ARG A 44 -18.525 2.856 1.310 1.00 0.00 N ATOM 0 H ARG A 44 -11.911 -0.327 1.661 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.192 -2.128 1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.631 0.482 0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.097 -0.435 0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.975 0.026 2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.401 0.171 3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.957 2.402 2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.187 2.283 1.382 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.248 2.616 0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.694 1.835 3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.420 2.211 3.731 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.465 3.098 0.321 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.418 2.923 1.798 1.00 0.00 H new ATOM 683 N GLU A 45 -12.581 -1.704 -0.978 1.00 0.00 N ATOM 684 CA GLU A 45 -12.267 -2.349 -2.248 1.00 0.00 C ATOM 685 C GLU A 45 -11.918 -3.820 -2.040 1.00 0.00 C ATOM 686 O GLU A 45 -12.351 -4.685 -2.802 1.00 0.00 O ATOM 687 CB GLU A 45 -11.105 -1.630 -2.937 1.00 0.00 C ATOM 688 CG GLU A 45 -11.038 -1.879 -4.434 1.00 0.00 C ATOM 689 CD GLU A 45 -10.441 -0.710 -5.194 1.00 0.00 C ATOM 690 OE1 GLU A 45 -10.980 0.410 -5.077 1.00 0.00 O ATOM 691 OE2 GLU A 45 -9.435 -0.915 -5.904 1.00 0.00 O ATOM 0 H GLU A 45 -12.184 -0.771 -0.869 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.150 -2.290 -2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.195 -0.558 -2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.168 -1.951 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.443 -2.773 -4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.041 -2.078 -4.811 1.00 0.00 H new ATOM 698 N ILE A 46 -11.133 -4.094 -1.004 1.00 0.00 N ATOM 699 CA ILE A 46 -10.726 -5.460 -0.696 1.00 0.00 C ATOM 700 C ILE A 46 -11.937 -6.348 -0.434 1.00 0.00 C ATOM 701 O ILE A 46 -12.245 -7.243 -1.221 1.00 0.00 O ATOM 702 CB ILE A 46 -9.794 -5.506 0.530 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.525 -4.693 0.265 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.445 -6.946 0.875 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.799 -4.278 1.525 1.00 0.00 C ATOM 0 H ILE A 46 -10.766 -3.389 -0.364 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.187 -5.833 -1.567 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.314 -5.064 1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.850 -5.281 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.787 -3.801 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.786 -6.963 1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.358 -7.497 1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.941 -7.411 0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.910 -3.706 1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.457 -3.663 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.506 -5.166 2.085 1.00 0.00 H new ATOM 717 N ARG A 47 -12.621 -6.094 0.677 1.00 0.00 N ATOM 718 CA ARG A 47 -13.800 -6.871 1.042 1.00 0.00 C ATOM 719 C ARG A 47 -14.585 -7.284 -0.199 1.00 0.00 C ATOM 720 O ARG A 47 -14.968 -8.445 -0.347 1.00 0.00 O ATOM 721 CB ARG A 47 -14.698 -6.063 1.981 1.00 0.00 C ATOM 722 CG ARG A 47 -14.080 -5.810 3.347 1.00 0.00 C ATOM 723 CD ARG A 47 -15.086 -5.195 4.308 1.00 0.00 C ATOM 724 NE ARG A 47 -15.075 -3.735 4.250 1.00 0.00 N ATOM 725 CZ ARG A 47 -16.041 -2.973 4.750 1.00 0.00 C ATOM 726 NH1 ARG A 47 -17.089 -3.529 5.343 1.00 0.00 N ATOM 727 NH2 ARG A 47 -15.960 -1.652 4.659 1.00 0.00 N ATOM 0 H ARG A 47 -12.379 -5.357 1.339 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.466 -7.772 1.556 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.930 -5.106 1.514 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.642 -6.592 2.111 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.708 -6.748 3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.222 -5.146 3.242 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -16.085 -5.560 4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.862 -5.519 5.324 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.282 -3.276 3.801 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.155 -4.544 5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.829 -2.941 5.726 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.155 -1.220 4.205 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.703 -1.068 5.043 1.00 0.00 H new ATOM 741 N LYS A 48 -14.822 -6.327 -1.089 1.00 0.00 N ATOM 742 CA LYS A 48 -15.561 -6.590 -2.318 1.00 0.00 C ATOM 743 C LYS A 48 -15.183 -7.949 -2.900 1.00 0.00 C ATOM 744 O LYS A 48 -16.051 -8.752 -3.241 1.00 0.00 O ATOM 745 CB LYS A 48 -15.288 -5.490 -3.347 1.00 0.00 C ATOM 746 CG LYS A 48 -16.320 -5.429 -4.460 1.00 0.00 C ATOM 747 CD LYS A 48 -15.929 -6.313 -5.632 1.00 0.00 C ATOM 748 CE LYS A 48 -15.087 -5.554 -6.646 1.00 0.00 C ATOM 749 NZ LYS A 48 -15.102 -6.211 -7.982 1.00 0.00 N ATOM 0 H LYS A 48 -14.513 -5.361 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.624 -6.600 -2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.258 -4.527 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.303 -5.650 -3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.291 -5.742 -4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.429 -4.399 -4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.372 -7.176 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.828 -6.695 -6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.461 -4.534 -6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.060 -5.485 -6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.517 -5.663 -8.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.721 -7.175 -7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.079 -6.254 -8.337 1.00 0.00 H new ATOM 763 N VAL A 49 -13.882 -8.200 -3.008 1.00 0.00 N ATOM 764 CA VAL A 49 -13.389 -9.463 -3.546 1.00 0.00 C ATOM 765 C VAL A 49 -13.795 -10.634 -2.658 1.00 0.00 C ATOM 766 O VAL A 49 -14.252 -11.668 -3.146 1.00 0.00 O ATOM 767 CB VAL A 49 -11.856 -9.451 -3.691 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.391 -10.621 -4.545 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.388 -8.130 -4.283 1.00 0.00 C ATOM 0 H VAL A 49 -13.150 -7.546 -2.730 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.839 -9.584 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.414 -9.557 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.305 -10.596 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.694 -11.557 -4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.840 -10.550 -5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.302 -8.138 -4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.838 -7.992 -5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.688 -7.311 -3.629 1.00 0.00 H new ATOM 779 N LEU A 50 -13.627 -10.464 -1.351 1.00 0.00 N ATOM 780 CA LEU A 50 -13.977 -11.507 -0.393 1.00 0.00 C ATOM 781 C LEU A 50 -15.433 -11.931 -0.557 1.00 0.00 C ATOM 782 O LEU A 50 -15.724 -13.087 -0.859 1.00 0.00 O ATOM 783 CB LEU A 50 -13.734 -11.017 1.036 1.00 0.00 C ATOM 784 CG LEU A 50 -12.368 -10.385 1.305 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.281 -9.896 2.742 1.00 0.00 C ATOM 786 CD2 LEU A 50 -11.254 -11.378 1.009 1.00 0.00 C ATOM 0 H LEU A 50 -13.251 -9.614 -0.931 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.342 -12.372 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.505 -10.288 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.862 -11.860 1.715 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.248 -9.527 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.302 -9.449 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.057 -9.151 2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.422 -10.737 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.289 -10.911 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.370 -12.255 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.304 -11.680 -0.037 1.00 0.00 H new ATOM 798 N GLY A 51 -16.346 -10.984 -0.357 1.00 0.00 N ATOM 799 CA GLY A 51 -17.761 -11.279 -0.488 1.00 0.00 C ATOM 800 C GLY A 51 -18.085 -12.000 -1.782 1.00 0.00 C ATOM 801 O GLY A 51 -18.974 -12.850 -1.820 1.00 0.00 O ATOM 0 H GLY A 51 -16.131 -10.019 -0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.081 -11.891 0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.329 -10.350 -0.441 1.00 0.00 H new ATOM 805 N ALA A 52 -17.364 -11.658 -2.845 1.00 0.00 N ATOM 806 CA ALA A 52 -17.579 -12.279 -4.146 1.00 0.00 C ATOM 807 C ALA A 52 -17.159 -13.745 -4.130 1.00 0.00 C ATOM 808 O ALA A 52 -17.811 -14.594 -4.737 1.00 0.00 O ATOM 809 CB ALA A 52 -16.819 -11.522 -5.224 1.00 0.00 C ATOM 0 H ALA A 52 -16.626 -10.954 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.645 -12.236 -4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.989 -11.997 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.169 -10.490 -5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.753 -11.535 -4.995 1.00 0.00 H new ATOM 815 N ASN A 53 -16.065 -14.035 -3.433 1.00 0.00 N ATOM 816 CA ASN A 53 -15.557 -15.400 -3.341 1.00 0.00 C ATOM 817 C ASN A 53 -16.068 -16.085 -2.077 1.00 0.00 C ATOM 818 O ASN A 53 -15.352 -16.866 -1.450 1.00 0.00 O ATOM 819 CB ASN A 53 -14.027 -15.398 -3.352 1.00 0.00 C ATOM 820 CG ASN A 53 -13.459 -15.335 -4.756 1.00 0.00 C ATOM 821 OD1 ASN A 53 -13.095 -16.357 -5.337 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.381 -14.130 -5.308 1.00 0.00 N ATOM 0 H ASN A 53 -15.513 -13.344 -2.924 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.919 -15.956 -4.206 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.663 -14.546 -2.777 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.662 -16.297 -2.855 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.007 -14.024 -6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.695 -13.310 -4.789 1.00 0.00 H new ATOM 829 N ASN A 54 -17.310 -15.788 -1.709 1.00 0.00 N ATOM 830 CA ASN A 54 -17.916 -16.375 -0.520 1.00 0.00 C ATOM 831 C ASN A 54 -16.928 -16.395 0.642 1.00 0.00 C ATOM 832 O ASN A 54 -16.838 -17.378 1.378 1.00 0.00 O ATOM 833 CB ASN A 54 -18.399 -17.796 -0.818 1.00 0.00 C ATOM 834 CG ASN A 54 -19.186 -17.881 -2.111 1.00 0.00 C ATOM 835 OD1 ASN A 54 -20.316 -17.399 -2.195 1.00 0.00 O ATOM 836 ND2 ASN A 54 -18.592 -18.495 -3.127 1.00 0.00 N ATOM 0 H ASN A 54 -17.916 -15.144 -2.217 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.770 -15.759 -0.236 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -17.540 -18.464 -0.875 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.021 -18.145 0.006 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.073 -18.582 -4.022 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -17.654 -18.880 -3.013 1.00 0.00 H new ATOM 843 N CYS A 55 -16.189 -15.302 0.801 1.00 0.00 N ATOM 844 CA CYS A 55 -15.206 -15.193 1.873 1.00 0.00 C ATOM 845 C CYS A 55 -15.719 -14.290 2.991 1.00 0.00 C ATOM 846 O CYS A 55 -16.688 -13.553 2.811 1.00 0.00 O ATOM 847 CB CYS A 55 -13.884 -14.651 1.329 1.00 0.00 C ATOM 848 SG CYS A 55 -13.050 -15.763 0.172 1.00 0.00 S ATOM 0 H CYS A 55 -16.252 -14.479 0.201 1.00 0.00 H new ATOM 0 HA CYS A 55 -15.040 -16.189 2.282 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -14.071 -13.700 0.831 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -13.216 -14.447 2.166 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.923 -16.274 -0.645 1.00 0.00 H new ATOM 854 N ASP A 56 -15.063 -14.355 4.144 1.00 0.00 N ATOM 855 CA ASP A 56 -15.452 -13.543 5.291 1.00 0.00 C ATOM 856 C ASP A 56 -14.291 -12.671 5.759 1.00 0.00 C ATOM 857 O ASP A 56 -13.126 -12.994 5.527 1.00 0.00 O ATOM 858 CB ASP A 56 -15.928 -14.437 6.437 1.00 0.00 C ATOM 859 CG ASP A 56 -17.051 -15.366 6.018 1.00 0.00 C ATOM 860 OD1 ASP A 56 -16.762 -16.388 5.363 1.00 0.00 O ATOM 861 OD2 ASP A 56 -18.220 -15.070 6.346 1.00 0.00 O ATOM 0 H ASP A 56 -14.260 -14.961 4.309 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.270 -12.892 4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.090 -15.028 6.805 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.266 -13.813 7.264 1.00 0.00 H new ATOM 866 N TYR A 57 -14.617 -11.565 6.418 1.00 0.00 N ATOM 867 CA TYR A 57 -13.602 -10.644 6.915 1.00 0.00 C ATOM 868 C TYR A 57 -13.984 -10.101 8.288 1.00 0.00 C ATOM 869 O TYR A 57 -15.163 -9.904 8.583 1.00 0.00 O ATOM 870 CB TYR A 57 -13.408 -9.487 5.933 1.00 0.00 C ATOM 871 CG TYR A 57 -14.705 -8.886 5.442 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.363 -9.411 4.337 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.273 -7.792 6.083 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.548 -8.864 3.885 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.458 -7.239 5.639 1.00 0.00 C ATOM 876 CZ TYR A 57 -17.092 -7.778 4.539 1.00 0.00 C ATOM 877 OH TYR A 57 -18.273 -7.231 4.092 1.00 0.00 O ATOM 0 H TYR A 57 -15.576 -11.284 6.621 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.665 -11.193 7.009 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.816 -8.709 6.414 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.834 -9.841 5.077 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.941 -10.262 3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.779 -7.366 6.944 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.046 -9.284 3.024 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.886 -6.389 6.150 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.520 -6.474 4.663 1.00 0.00 H new ATOM 887 N GLU A 58 -12.979 -9.862 9.124 1.00 0.00 N ATOM 888 CA GLU A 58 -13.209 -9.342 10.467 1.00 0.00 C ATOM 889 C GLU A 58 -12.244 -8.203 10.783 1.00 0.00 C ATOM 890 O GLU A 58 -11.056 -8.429 11.012 1.00 0.00 O ATOM 891 CB GLU A 58 -13.056 -10.457 11.503 1.00 0.00 C ATOM 892 CG GLU A 58 -13.208 -9.980 12.938 1.00 0.00 C ATOM 893 CD GLU A 58 -13.697 -11.074 13.867 1.00 0.00 C ATOM 894 OE1 GLU A 58 -14.814 -11.586 13.645 1.00 0.00 O ATOM 895 OE2 GLU A 58 -12.962 -11.417 14.817 1.00 0.00 O ATOM 0 H GLU A 58 -11.998 -10.020 8.895 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.227 -8.954 10.509 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.799 -11.230 11.305 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.076 -10.919 11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.249 -9.606 13.296 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.907 -9.144 12.967 1.00 0.00 H new ATOM 902 N GLN A 59 -12.764 -6.980 10.792 1.00 0.00 N ATOM 903 CA GLN A 59 -11.948 -5.806 11.078 1.00 0.00 C ATOM 904 C GLN A 59 -11.347 -5.888 12.477 1.00 0.00 C ATOM 905 O GLN A 59 -12.069 -5.898 13.474 1.00 0.00 O ATOM 906 CB GLN A 59 -12.784 -4.532 10.944 1.00 0.00 C ATOM 907 CG GLN A 59 -11.981 -3.321 10.496 1.00 0.00 C ATOM 908 CD GLN A 59 -12.545 -2.018 11.028 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.634 -1.988 11.601 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.804 -0.932 10.840 1.00 0.00 N ATOM 0 H GLN A 59 -13.746 -6.776 10.605 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.134 -5.776 10.354 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.588 -4.709 10.230 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.252 -4.312 11.903 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.949 -3.430 10.831 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.961 -3.286 9.407 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.907 -1.003 10.360 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.132 -0.026 11.176 1.00 0.00 H new ATOM 919 N ARG A 60 -10.021 -5.949 12.544 1.00 0.00 N ATOM 920 CA ARG A 60 -9.323 -6.032 13.821 1.00 0.00 C ATOM 921 C ARG A 60 -9.014 -4.640 14.364 1.00 0.00 C ATOM 922 O ARG A 60 -9.155 -4.385 15.560 1.00 0.00 O ATOM 923 CB ARG A 60 -8.027 -6.830 13.667 1.00 0.00 C ATOM 924 CG ARG A 60 -8.243 -8.258 13.192 1.00 0.00 C ATOM 925 CD ARG A 60 -8.651 -9.171 14.337 1.00 0.00 C ATOM 926 NE ARG A 60 -10.077 -9.073 14.634 1.00 0.00 N ATOM 927 CZ ARG A 60 -10.604 -9.375 15.816 1.00 0.00 C ATOM 928 NH1 ARG A 60 -9.827 -9.791 16.805 1.00 0.00 N ATOM 929 NH2 ARG A 60 -11.912 -9.260 16.009 1.00 0.00 N ATOM 0 H ARG A 60 -9.408 -5.942 11.728 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.975 -6.543 14.530 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.376 -6.316 12.960 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.506 -6.849 14.624 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.013 -8.273 12.421 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.327 -8.633 12.735 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.403 -10.202 14.084 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.077 -8.914 15.227 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.703 -8.755 13.894 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.821 -9.880 16.660 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.234 -10.022 17.711 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.513 -8.940 15.250 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.316 -9.492 16.916 1.00 0.00 H new ATOM 943 N GLU A 61 -8.592 -3.744 13.477 1.00 0.00 N ATOM 944 CA GLU A 61 -8.262 -2.379 13.868 1.00 0.00 C ATOM 945 C GLU A 61 -8.715 -1.383 12.804 1.00 0.00 C ATOM 946 O GLU A 61 -9.359 -1.757 11.823 1.00 0.00 O ATOM 947 CB GLU A 61 -6.756 -2.242 14.103 1.00 0.00 C ATOM 948 CG GLU A 61 -6.193 -3.277 15.061 1.00 0.00 C ATOM 949 CD GLU A 61 -4.763 -2.978 15.468 1.00 0.00 C ATOM 950 OE1 GLU A 61 -4.537 -1.934 16.114 1.00 0.00 O ATOM 951 OE2 GLU A 61 -3.871 -3.788 15.141 1.00 0.00 O ATOM 0 H GLU A 61 -8.471 -3.939 12.483 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.789 -2.157 14.796 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.239 -2.325 13.147 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.547 -1.246 14.494 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.819 -3.320 15.952 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.236 -4.261 14.593 1.00 0.00 H new ATOM 958 N ARG A 62 -8.375 -0.115 13.006 1.00 0.00 N ATOM 959 CA ARG A 62 -8.747 0.935 12.066 1.00 0.00 C ATOM 960 C ARG A 62 -8.286 0.589 10.653 1.00 0.00 C ATOM 961 O ARG A 62 -9.047 0.711 9.693 1.00 0.00 O ATOM 962 CB ARG A 62 -8.144 2.273 12.497 1.00 0.00 C ATOM 963 CG ARG A 62 -6.625 2.302 12.441 1.00 0.00 C ATOM 964 CD ARG A 62 -6.070 3.581 13.048 1.00 0.00 C ATOM 965 NE ARG A 62 -4.649 3.464 13.367 1.00 0.00 N ATOM 966 CZ ARG A 62 -4.002 4.311 14.160 1.00 0.00 C ATOM 967 NH1 ARG A 62 -4.645 5.330 14.712 1.00 0.00 N ATOM 968 NH2 ARG A 62 -2.709 4.137 14.403 1.00 0.00 N ATOM 0 H ARG A 62 -7.842 0.210 13.813 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.834 1.018 12.065 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.538 3.063 11.857 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.466 2.496 13.514 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.224 1.441 12.975 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.296 2.217 11.405 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.218 4.407 12.352 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.626 3.823 13.954 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.125 2.690 12.959 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.639 5.465 14.528 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.146 5.979 15.320 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.212 3.353 13.981 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.212 4.787 15.012 1.00 0.00 H new ATOM 982 N PHE A 63 -7.035 0.156 10.534 1.00 0.00 N ATOM 983 CA PHE A 63 -6.472 -0.207 9.239 1.00 0.00 C ATOM 984 C PHE A 63 -6.044 -1.671 9.223 1.00 0.00 C ATOM 985 O PHE A 63 -4.931 -2.000 8.809 1.00 0.00 O ATOM 986 CB PHE A 63 -5.277 0.690 8.910 1.00 0.00 C ATOM 987 CG PHE A 63 -5.655 2.118 8.640 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.510 2.437 7.598 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.155 3.142 9.429 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.859 3.751 7.348 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.500 4.457 9.183 1.00 0.00 C ATOM 992 CZ PHE A 63 -6.354 4.762 8.142 1.00 0.00 C ATOM 0 H PHE A 63 -6.392 0.048 11.319 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.243 -0.065 8.482 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.571 0.660 9.740 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.761 0.288 8.038 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.908 1.651 6.974 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.488 2.909 10.246 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.526 3.987 6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.102 5.246 9.804 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.627 5.789 7.949 1.00 0.00 H new ATOM 1002 N LEU A 64 -6.934 -2.546 9.677 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.649 -3.977 9.716 1.00 0.00 C ATOM 1004 C LEU A 64 -7.908 -4.790 9.430 1.00 0.00 C ATOM 1005 O LEU A 64 -9.002 -4.437 9.872 1.00 0.00 O ATOM 1006 CB LEU A 64 -6.076 -4.365 11.080 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.124 -5.562 11.091 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -4.152 -5.460 12.256 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.907 -6.865 11.161 1.00 0.00 C ATOM 0 H LEU A 64 -7.859 -2.291 10.023 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.913 -4.198 8.943 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.549 -3.503 11.489 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.906 -4.580 11.753 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.551 -5.554 10.164 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.483 -6.320 12.248 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.568 -4.545 12.163 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.708 -5.442 13.193 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.214 -7.706 11.168 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.506 -6.881 12.071 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.563 -6.942 10.294 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.745 -5.881 8.690 1.00 0.00 N ATOM 1022 CA LEU A 65 -8.867 -6.748 8.347 1.00 0.00 C ATOM 1023 C LEU A 65 -8.425 -8.205 8.265 1.00 0.00 C ATOM 1024 O LEU A 65 -7.480 -8.539 7.550 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.483 -6.314 7.016 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.588 -5.260 7.099 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.641 -4.440 5.819 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.933 -5.919 7.368 1.00 0.00 C ATOM 0 H LEU A 65 -6.847 -6.186 8.316 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.616 -6.660 9.134 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.687 -5.928 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.887 -7.197 6.521 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.362 -4.588 7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.433 -3.695 5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.685 -3.939 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.843 -5.098 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.708 -5.155 7.424 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.166 -6.613 6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.890 -6.462 8.312 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.116 -9.070 9.001 1.00 0.00 N ATOM 1041 CA PHE A 66 -8.796 -10.492 9.011 1.00 0.00 C ATOM 1042 C PHE A 66 -9.556 -11.229 7.911 1.00 0.00 C ATOM 1043 O PHE A 66 -10.751 -11.497 8.041 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.129 -11.103 10.374 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.467 -12.429 10.615 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -8.790 -13.531 9.838 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -7.523 -12.575 11.618 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -8.183 -14.753 10.057 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -6.912 -13.795 11.841 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.243 -14.885 11.061 1.00 0.00 C ATOM 0 H PHE A 66 -9.901 -8.810 9.598 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.727 -10.599 8.824 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.828 -10.408 11.158 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.209 -11.225 10.454 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.525 -13.433 9.052 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.261 -11.726 12.233 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.443 -15.604 9.444 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.176 -13.895 12.625 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.768 -15.839 11.235 1.00 0.00 H new ATOM 1060 N CYS A 67 -8.855 -11.551 6.830 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.463 -12.255 5.707 1.00 0.00 C ATOM 1062 C CYS A 67 -9.349 -13.766 5.886 1.00 0.00 C ATOM 1063 O CYS A 67 -8.291 -14.281 6.246 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.800 -11.834 4.395 1.00 0.00 C ATOM 1065 SG CYS A 67 -9.028 -10.089 3.980 1.00 0.00 S ATOM 0 H CYS A 67 -7.866 -11.336 6.707 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.520 -11.990 5.673 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.732 -12.046 4.455 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.201 -12.444 3.586 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.142 -9.734 3.097 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.448 -14.471 5.634 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.472 -15.922 5.768 1.00 0.00 C ATOM 1073 C VAL A 68 -11.340 -16.559 4.689 1.00 0.00 C ATOM 1074 O VAL A 68 -12.512 -16.213 4.535 1.00 0.00 O ATOM 1075 CB VAL A 68 -10.996 -16.350 7.152 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.387 -15.785 7.394 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -10.998 -17.866 7.275 1.00 0.00 C ATOM 0 H VAL A 68 -11.333 -14.060 5.336 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.444 -16.267 5.655 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.329 -15.948 7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.741 -16.098 8.376 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.350 -14.696 7.351 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.068 -16.155 6.628 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.371 -18.151 8.259 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.641 -18.293 6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.983 -18.243 7.149 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.758 -17.493 3.943 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.479 -18.180 2.878 1.00 0.00 C ATOM 1089 C HIS A 69 -11.994 -19.535 3.356 1.00 0.00 C ATOM 1090 O HIS A 69 -11.241 -20.336 3.908 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.575 -18.367 1.659 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.154 -19.274 0.617 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -10.560 -20.459 0.237 1.00 0.00 N ATOM 1094 CD2 HIS A 69 -12.281 -19.165 -0.125 1.00 0.00 C ATOM 1095 CE1 HIS A 69 -11.296 -21.038 -0.695 1.00 0.00 C ATOM 1096 NE2 HIS A 69 -12.346 -20.273 -0.932 1.00 0.00 N ATOM 0 H HIS A 69 -9.789 -17.791 4.057 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.334 -17.565 2.597 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.377 -17.393 1.211 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.616 -18.769 1.986 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -12.996 -18.356 -0.089 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -11.076 -21.977 -1.181 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -13.085 -20.473 -1.606 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.282 -19.783 3.141 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.875 -21.040 3.557 1.00 0.00 C ATOM 1107 C GLY A 70 -14.709 -21.678 2.463 1.00 0.00 C ATOM 1108 O GLY A 70 -15.936 -21.571 2.466 1.00 0.00 O ATOM 0 H GLY A 70 -13.926 -19.136 2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.085 -21.729 3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.500 -20.871 4.434 1.00 0.00 H new ATOM 1112 N ASP A 71 -14.044 -22.341 1.524 1.00 0.00 N ATOM 1113 CA ASP A 71 -14.732 -22.998 0.419 1.00 0.00 C ATOM 1114 C ASP A 71 -15.844 -23.906 0.934 1.00 0.00 C ATOM 1115 O ASP A 71 -16.947 -23.923 0.389 1.00 0.00 O ATOM 1116 CB ASP A 71 -13.740 -23.809 -0.417 1.00 0.00 C ATOM 1117 CG ASP A 71 -14.161 -23.919 -1.869 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -14.325 -22.866 -2.521 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -14.327 -25.058 -2.354 1.00 0.00 O ATOM 0 H ASP A 71 -13.029 -22.438 1.506 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.179 -22.227 -0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.756 -23.343 -0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.644 -24.808 0.007 1.00 0.00 H new ATOM 1124 N GLY A 72 -15.545 -24.661 1.987 1.00 0.00 N ATOM 1125 CA GLY A 72 -16.530 -25.562 2.557 1.00 0.00 C ATOM 1126 C GLY A 72 -16.063 -26.182 3.859 1.00 0.00 C ATOM 1127 O GLY A 72 -16.850 -26.354 4.790 1.00 0.00 O ATOM 0 H GLY A 72 -14.639 -24.665 2.455 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -17.459 -25.018 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.752 -26.353 1.841 1.00 0.00 H new ATOM 1131 N HIS A 73 -14.779 -26.519 3.926 1.00 0.00 N ATOM 1132 CA HIS A 73 -14.209 -27.125 5.124 1.00 0.00 C ATOM 1133 C HIS A 73 -12.772 -26.658 5.338 1.00 0.00 C ATOM 1134 O HIS A 73 -12.270 -25.808 4.603 1.00 0.00 O ATOM 1135 CB HIS A 73 -14.252 -28.649 5.021 1.00 0.00 C ATOM 1136 CG HIS A 73 -15.508 -29.252 5.571 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -15.558 -29.914 6.780 1.00 0.00 N ATOM 1138 CD2 HIS A 73 -16.765 -29.288 5.071 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -16.792 -30.333 6.999 1.00 0.00 C ATOM 1140 NE2 HIS A 73 -17.544 -29.965 5.977 1.00 0.00 N ATOM 0 H HIS A 73 -14.114 -26.383 3.165 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.806 -26.810 5.979 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -14.148 -28.937 3.975 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -13.396 -29.065 5.553 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -17.094 -28.863 4.134 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -17.128 -30.883 7.866 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -18.541 -30.153 5.877 1.00 0.00 H new ATOM 1149 N ALA A 74 -12.117 -27.219 6.349 1.00 0.00 N ATOM 1150 CA ALA A 74 -10.738 -26.861 6.658 1.00 0.00 C ATOM 1151 C ALA A 74 -9.810 -27.198 5.496 1.00 0.00 C ATOM 1152 O ALA A 74 -8.782 -26.549 5.303 1.00 0.00 O ATOM 1153 CB ALA A 74 -10.281 -27.569 7.925 1.00 0.00 C ATOM 0 H ALA A 74 -12.519 -27.923 6.968 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.695 -25.784 6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.250 -27.293 8.144 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.920 -27.274 8.757 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.345 -28.648 7.782 1.00 0.00 H new ATOM 1159 N GLU A 75 -10.179 -28.217 4.726 1.00 0.00 N ATOM 1160 CA GLU A 75 -9.377 -28.641 3.585 1.00 0.00 C ATOM 1161 C GLU A 75 -9.055 -27.457 2.677 1.00 0.00 C ATOM 1162 O GLU A 75 -7.919 -27.293 2.233 1.00 0.00 O ATOM 1163 CB GLU A 75 -10.112 -29.722 2.789 1.00 0.00 C ATOM 1164 CG GLU A 75 -9.186 -30.638 2.008 1.00 0.00 C ATOM 1165 CD GLU A 75 -9.839 -31.201 0.761 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -11.076 -31.370 0.764 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -9.113 -31.474 -0.218 1.00 0.00 O ATOM 0 H GLU A 75 -11.028 -28.764 4.872 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.441 -29.052 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.710 -30.323 3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.805 -29.244 2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.289 -30.087 1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.868 -31.460 2.650 1.00 0.00 H new ATOM 1174 N ASN A 76 -10.063 -26.635 2.406 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.888 -25.466 1.551 1.00 0.00 C ATOM 1176 C ASN A 76 -10.029 -24.178 2.355 1.00 0.00 C ATOM 1177 O ASN A 76 -10.489 -23.158 1.840 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.911 -25.484 0.413 1.00 0.00 C ATOM 1179 CG ASN A 76 -11.229 -26.891 -0.057 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -10.374 -27.579 -0.616 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -12.463 -27.325 0.169 1.00 0.00 N ATOM 0 H ASN A 76 -11.010 -26.756 2.766 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.883 -25.502 1.129 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.829 -24.999 0.745 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.528 -24.902 -0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.735 -28.263 -0.124 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.139 -26.720 0.636 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.628 -24.230 3.621 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.708 -23.067 4.497 1.00 0.00 C ATOM 1190 C LEU A 77 -8.340 -22.412 4.660 1.00 0.00 C ATOM 1191 O LEU A 77 -7.311 -23.088 4.646 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.258 -23.472 5.866 1.00 0.00 C ATOM 1193 CG LEU A 77 -10.767 -22.332 6.749 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.236 -22.054 6.469 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -10.556 -22.661 8.220 1.00 0.00 C ATOM 0 H LEU A 77 -9.244 -25.065 4.063 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.384 -22.345 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.074 -24.178 5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.475 -24.002 6.408 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.197 -21.434 6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.580 -21.240 7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.360 -21.773 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.822 -22.950 6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.924 -21.838 8.833 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.099 -23.572 8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.493 -22.808 8.411 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.336 -21.092 4.817 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.095 -20.346 4.986 1.00 0.00 C ATOM 1209 C VAL A 78 -7.343 -19.021 5.697 1.00 0.00 C ATOM 1210 O VAL A 78 -8.236 -18.263 5.323 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.417 -20.070 3.630 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.210 -19.163 3.812 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.017 -21.375 2.959 1.00 0.00 C ATOM 0 H VAL A 78 -9.179 -20.517 4.831 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.435 -20.963 5.595 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.131 -19.560 2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.744 -18.979 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.529 -18.216 4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.491 -19.643 4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.540 -21.161 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.320 -21.915 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.904 -21.986 2.793 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.545 -18.749 6.725 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.678 -17.514 7.489 1.00 0.00 C ATOM 1225 C GLN A 79 -5.480 -16.599 7.257 1.00 0.00 C ATOM 1226 O GLN A 79 -4.335 -16.989 7.486 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.816 -17.825 8.980 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.122 -18.516 9.339 1.00 0.00 C ATOM 1229 CD GLN A 79 -8.044 -19.267 10.653 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.525 -18.753 11.645 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -8.559 -20.490 10.668 1.00 0.00 N ATOM 0 H GLN A 79 -5.800 -19.367 7.048 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.576 -17.000 7.148 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.983 -18.457 9.289 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.739 -16.896 9.545 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.918 -17.773 9.396 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.391 -19.211 8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.979 -20.877 9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.534 -21.043 11.525 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.753 -15.381 6.803 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.696 -14.410 6.540 1.00 0.00 C ATOM 1242 C TRP A 80 -5.172 -12.994 6.844 1.00 0.00 C ATOM 1243 O TRP A 80 -6.320 -12.644 6.576 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.238 -14.506 5.084 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.179 -13.847 4.121 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.097 -12.572 3.637 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.344 -14.429 3.526 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.141 -12.327 2.778 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -6.920 -13.451 2.692 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -6.955 -15.683 3.615 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -8.077 -13.689 1.955 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -8.104 -15.917 2.883 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.655 -14.925 2.061 1.00 0.00 C ATOM 0 H TRP A 80 -6.695 -15.042 6.609 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.854 -14.639 7.194 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.253 -14.048 4.989 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.129 -15.556 4.813 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.325 -11.861 3.892 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.309 -11.450 2.284 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.537 -16.455 4.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.503 -12.925 1.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.586 -16.882 2.946 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.553 -15.140 1.500 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.280 -12.183 7.406 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.611 -10.804 7.747 1.00 0.00 C ATOM 1266 C GLU A 81 -4.191 -9.852 6.630 1.00 0.00 C ATOM 1267 O GLU A 81 -3.054 -9.891 6.162 1.00 0.00 O ATOM 1268 CB GLU A 81 -3.930 -10.402 9.057 1.00 0.00 C ATOM 1269 CG GLU A 81 -4.736 -10.759 10.295 1.00 0.00 C ATOM 1270 CD GLU A 81 -4.331 -9.946 11.509 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -3.994 -8.755 11.339 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -4.350 -10.499 12.628 1.00 0.00 O ATOM 0 H GLU A 81 -3.324 -12.457 7.634 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.692 -10.737 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.956 -10.888 9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.750 -9.327 9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.795 -10.600 10.093 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.609 -11.819 10.513 1.00 0.00 H new ATOM 1279 N MET A 82 -5.118 -8.998 6.209 1.00 0.00 N ATOM 1280 CA MET A 82 -4.845 -8.035 5.149 1.00 0.00 C ATOM 1281 C MET A 82 -4.985 -6.606 5.662 1.00 0.00 C ATOM 1282 O MET A 82 -6.055 -6.006 5.570 1.00 0.00 O ATOM 1283 CB MET A 82 -5.793 -8.261 3.969 1.00 0.00 C ATOM 1284 CG MET A 82 -5.250 -9.228 2.930 1.00 0.00 C ATOM 1285 SD MET A 82 -6.165 -9.165 1.377 1.00 0.00 S ATOM 1286 CE MET A 82 -5.594 -7.604 0.711 1.00 0.00 C ATOM 0 H MET A 82 -6.065 -8.953 6.586 1.00 0.00 H new ATOM 0 HA MET A 82 -3.818 -8.182 4.815 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.743 -8.640 4.345 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.999 -7.304 3.490 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.202 -8.999 2.739 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.287 -10.242 3.328 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.452 -6.981 0.457 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.982 -7.093 1.455 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.000 -7.786 -0.184 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.897 -6.067 6.203 1.00 0.00 N ATOM 1297 CA GLU A 83 -3.901 -4.708 6.733 1.00 0.00 C ATOM 1298 C GLU A 83 -3.282 -3.734 5.734 1.00 0.00 C ATOM 1299 O GLU A 83 -2.379 -4.092 4.978 1.00 0.00 O ATOM 1300 CB GLU A 83 -3.137 -4.651 8.058 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.636 -4.489 7.889 1.00 0.00 C ATOM 1302 CD GLU A 83 -0.968 -5.749 7.373 1.00 0.00 C ATOM 1303 OE1 GLU A 83 -1.408 -6.853 7.758 1.00 0.00 O ATOM 1304 OE2 GLU A 83 -0.007 -5.631 6.585 1.00 0.00 O ATOM 0 H GLU A 83 -3.002 -6.550 6.286 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.937 -4.416 6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.519 -3.821 8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.334 -5.563 8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.438 -3.669 7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.194 -4.214 8.847 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.775 -2.499 5.738 1.00 0.00 N ATOM 1312 CA VAL A 84 -3.271 -1.472 4.834 1.00 0.00 C ATOM 1313 C VAL A 84 -2.135 -0.684 5.476 1.00 0.00 C ATOM 1314 O VAL A 84 -2.370 0.238 6.258 1.00 0.00 O ATOM 1315 CB VAL A 84 -4.387 -0.496 4.417 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -3.842 0.567 3.475 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.541 -1.249 3.772 1.00 0.00 C ATOM 0 H VAL A 84 -4.523 -2.186 6.357 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.897 -1.985 3.948 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.762 0.002 5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.645 1.248 3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.052 1.127 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.438 0.090 2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.320 -0.543 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.183 -1.775 2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.948 -1.969 4.482 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.904 -1.052 5.140 1.00 0.00 N ATOM 1328 CA CYS A 85 0.270 -0.379 5.684 1.00 0.00 C ATOM 1329 C CYS A 85 0.182 1.128 5.468 1.00 0.00 C ATOM 1330 O CYS A 85 -0.793 1.630 4.909 1.00 0.00 O ATOM 1331 CB CYS A 85 1.543 -0.926 5.036 1.00 0.00 C ATOM 1332 SG CYS A 85 2.999 -0.871 6.106 1.00 0.00 S ATOM 0 H CYS A 85 -0.693 -1.812 4.494 1.00 0.00 H new ATOM 0 HA CYS A 85 0.305 -0.572 6.756 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.368 -1.958 4.731 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.750 -0.357 4.130 1.00 0.00 H new ATOM 0 HG CYS A 85 4.023 -1.357 5.470 1.00 0.00 H new ATOM 1466 N ASN A 93 -0.125 2.412 -0.810 1.00 0.00 N ATOM 1467 CA ASN A 93 -0.580 1.603 0.314 1.00 0.00 C ATOM 1468 C ASN A 93 0.067 0.221 0.288 1.00 0.00 C ATOM 1469 O ASN A 93 -0.009 -0.492 -0.712 1.00 0.00 O ATOM 1470 CB ASN A 93 -2.103 1.466 0.288 1.00 0.00 C ATOM 1471 CG ASN A 93 -2.562 0.271 -0.526 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -3.159 -0.665 0.007 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -2.284 0.298 -1.824 1.00 0.00 N ATOM 0 HA ASN A 93 -0.283 2.106 1.234 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.474 1.371 1.309 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.540 2.374 -0.127 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.567 -0.478 -2.422 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.787 1.095 -2.223 1.00 0.00 H new ATOM 1480 N GLY A 94 0.703 -0.150 1.395 1.00 0.00 N ATOM 1481 CA GLY A 94 1.354 -1.445 1.478 1.00 0.00 C ATOM 1482 C GLY A 94 0.396 -2.550 1.879 1.00 0.00 C ATOM 1483 O GLY A 94 -0.155 -2.535 2.979 1.00 0.00 O ATOM 0 H GLY A 94 0.779 0.423 2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.800 -1.687 0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.168 -1.394 2.201 1.00 0.00 H new ATOM 1487 N VAL A 95 0.196 -3.511 0.983 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.701 -4.629 1.248 1.00 0.00 C ATOM 1489 C VAL A 95 0.053 -5.954 1.241 1.00 0.00 C ATOM 1490 O VAL A 95 0.428 -6.461 0.184 1.00 0.00 O ATOM 1491 CB VAL A 95 -1.839 -4.693 0.212 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -2.854 -5.759 0.597 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.508 -3.334 0.071 1.00 0.00 C ATOM 0 H VAL A 95 0.643 -3.538 0.067 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.128 -4.464 2.237 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.412 -4.965 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.650 -5.789 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.362 -6.731 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.278 -5.522 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.310 -3.398 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.922 -3.031 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.773 -2.599 -0.256 1.00 0.00 H new ATOM 1503 N ARG A 96 0.272 -6.510 2.428 1.00 0.00 N ATOM 1504 CA ARG A 96 0.983 -7.776 2.559 1.00 0.00 C ATOM 1505 C ARG A 96 0.030 -8.893 2.976 1.00 0.00 C ATOM 1506 O ARG A 96 -1.055 -8.636 3.497 1.00 0.00 O ATOM 1507 CB ARG A 96 2.113 -7.647 3.582 1.00 0.00 C ATOM 1508 CG ARG A 96 2.931 -8.917 3.748 1.00 0.00 C ATOM 1509 CD ARG A 96 4.331 -8.615 4.261 1.00 0.00 C ATOM 1510 NE ARG A 96 4.308 -7.996 5.583 1.00 0.00 N ATOM 1511 CZ ARG A 96 4.146 -8.679 6.711 1.00 0.00 C ATOM 1512 NH1 ARG A 96 3.995 -9.996 6.677 1.00 0.00 N ATOM 1513 NH2 ARG A 96 4.136 -8.044 7.877 1.00 0.00 N ATOM 0 H ARG A 96 -0.033 -6.104 3.313 1.00 0.00 H new ATOM 0 HA ARG A 96 1.409 -8.028 1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.775 -6.835 3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.689 -7.369 4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.425 -9.589 4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.997 -9.436 2.792 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.909 -9.538 4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.839 -7.953 3.560 1.00 0.00 H new ATOM 0 HE ARG A 96 4.423 -6.984 5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.003 -10.487 5.783 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.871 -10.518 7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.253 -7.031 7.907 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.012 -8.569 8.743 1.00 0.00 H new ATOM 1527 N PHE A 97 0.444 -10.134 2.741 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.373 -11.291 3.089 1.00 0.00 C ATOM 1529 C PHE A 97 0.366 -12.204 4.064 1.00 0.00 C ATOM 1530 O PHE A 97 1.469 -12.671 3.780 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.753 -12.072 1.830 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.790 -11.384 0.989 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.545 -10.131 0.450 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -3.011 -11.990 0.737 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.497 -9.496 -0.325 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.966 -11.360 -0.037 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.710 -10.111 -0.568 1.00 0.00 C ATOM 0 H PHE A 97 1.340 -10.364 2.311 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.281 -10.931 3.572 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.142 -12.235 1.229 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.125 -13.055 2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.599 -9.645 0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.218 -12.966 1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.293 -8.520 -0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.913 -11.844 -0.227 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.456 -9.616 -1.172 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.250 -12.453 5.214 1.00 0.00 N ATOM 1548 CA LYS A 98 0.346 -13.311 6.232 1.00 0.00 C ATOM 1549 C LYS A 98 -0.469 -14.587 6.414 1.00 0.00 C ATOM 1550 O LYS A 98 -1.670 -14.535 6.677 1.00 0.00 O ATOM 1551 CB LYS A 98 0.446 -12.563 7.563 1.00 0.00 C ATOM 1552 CG LYS A 98 1.066 -13.386 8.679 1.00 0.00 C ATOM 1553 CD LYS A 98 0.012 -14.164 9.449 1.00 0.00 C ATOM 1554 CE LYS A 98 0.466 -14.460 10.870 1.00 0.00 C ATOM 1555 NZ LYS A 98 1.487 -15.544 10.912 1.00 0.00 N ATOM 0 H LYS A 98 -1.163 -12.073 5.465 1.00 0.00 H new ATOM 0 HA LYS A 98 1.347 -13.585 5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.037 -11.659 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.551 -12.246 7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.796 -14.078 8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.605 -12.728 9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.917 -13.594 9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.202 -15.099 8.932 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.879 -13.555 11.315 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.395 -14.748 11.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.771 -15.716 11.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.085 -16.415 10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.319 -15.259 10.357 1.00 0.00 H new ATOM 1569 N ARG A 99 0.192 -15.731 6.273 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.471 -17.021 6.422 1.00 0.00 C ATOM 1571 C ARG A 99 -0.609 -17.394 7.895 1.00 0.00 C ATOM 1572 O ARG A 99 0.365 -17.779 8.542 1.00 0.00 O ATOM 1573 CB ARG A 99 0.308 -18.108 5.680 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.274 -19.501 5.854 1.00 0.00 C ATOM 1575 CD ARG A 99 0.708 -20.575 5.410 1.00 0.00 C ATOM 1576 NE ARG A 99 1.570 -21.013 6.504 1.00 0.00 N ATOM 1577 CZ ARG A 99 2.737 -21.621 6.321 1.00 0.00 C ATOM 1578 NH1 ARG A 99 3.178 -21.861 5.094 1.00 0.00 N ATOM 1579 NH2 ARG A 99 3.466 -21.990 7.367 1.00 0.00 N ATOM 0 H ARG A 99 1.187 -15.791 6.056 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.469 -16.941 5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.333 -17.864 4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.340 -18.108 6.032 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.538 -19.658 6.900 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.194 -19.587 5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.157 -21.430 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.322 -20.191 4.596 1.00 0.00 H new ATOM 0 HE ARG A 99 1.259 -20.843 7.461 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.621 -21.579 4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.074 -22.328 4.956 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.130 -21.807 8.313 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.362 -22.457 7.225 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.825 -17.277 8.418 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.090 -17.603 9.814 1.00 0.00 C ATOM 1595 C ILE A 100 -2.265 -19.105 10.004 1.00 0.00 C ATOM 1596 O ILE A 100 -1.637 -19.709 10.873 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.349 -16.881 10.331 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.152 -15.365 10.276 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -3.670 -17.328 11.749 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.322 -14.583 10.832 1.00 0.00 C ATOM 0 H ILE A 100 -2.642 -16.959 7.896 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.226 -17.265 10.387 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.190 -17.143 9.689 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.253 -15.103 10.833 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.984 -15.066 9.241 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.562 -16.809 12.101 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.847 -18.403 11.760 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.831 -17.092 12.404 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.113 -13.516 10.761 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.220 -14.816 10.260 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.477 -14.854 11.876 1.00 0.00 H new ATOM 1612 N SER A 101 -3.122 -19.704 9.183 1.00 0.00 N ATOM 1613 CA SER A 101 -3.382 -21.137 9.262 1.00 0.00 C ATOM 1614 C SER A 101 -3.785 -21.692 7.899 1.00 0.00 C ATOM 1615 O SER A 101 -4.197 -20.948 7.011 1.00 0.00 O ATOM 1616 CB SER A 101 -4.482 -21.422 10.287 1.00 0.00 C ATOM 1617 OG SER A 101 -3.950 -21.492 11.599 1.00 0.00 O ATOM 0 H SER A 101 -3.648 -19.219 8.456 1.00 0.00 H new ATOM 0 HA SER A 101 -2.463 -21.631 9.579 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.239 -20.640 10.239 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.978 -22.361 10.042 1.00 0.00 H new ATOM 0 HG SER A 101 -3.111 -20.986 11.639 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.663 -23.007 7.743 1.00 0.00 N ATOM 1624 CA GLY A 102 -4.018 -23.640 6.486 1.00 0.00 C ATOM 1625 C GLY A 102 -2.802 -24.059 5.684 1.00 0.00 C ATOM 1626 O GLY A 102 -1.668 -23.927 6.146 1.00 0.00 O ATOM 0 H GLY A 102 -3.325 -23.645 8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.637 -24.515 6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.621 -22.952 5.894 1.00 0.00 H new ATOM 1630 N THR A 103 -3.036 -24.568 4.478 1.00 0.00 N ATOM 1631 CA THR A 103 -1.952 -25.010 3.611 1.00 0.00 C ATOM 1632 C THR A 103 -1.352 -23.840 2.840 1.00 0.00 C ATOM 1633 O THR A 103 -1.972 -22.784 2.715 1.00 0.00 O ATOM 1634 CB THR A 103 -2.433 -26.077 2.610 1.00 0.00 C ATOM 1635 OG1 THR A 103 -3.424 -25.521 1.739 1.00 0.00 O ATOM 1636 CG2 THR A 103 -3.010 -27.282 3.339 1.00 0.00 C ATOM 0 H THR A 103 -3.968 -24.684 4.080 1.00 0.00 H new ATOM 0 HA THR A 103 -1.189 -25.445 4.256 1.00 0.00 H new ATOM 0 HB THR A 103 -1.576 -26.404 2.022 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.723 -26.206 1.105 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.343 -28.022 2.611 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.245 -27.721 3.979 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.856 -26.967 3.950 1.00 0.00 H new ATOM 1644 N SER A 104 -0.143 -24.035 2.324 1.00 0.00 N ATOM 1645 CA SER A 104 0.542 -22.994 1.567 1.00 0.00 C ATOM 1646 C SER A 104 -0.059 -22.852 0.172 1.00 0.00 C ATOM 1647 O SER A 104 -0.462 -21.761 -0.233 1.00 0.00 O ATOM 1648 CB SER A 104 2.036 -23.309 1.462 1.00 0.00 C ATOM 1649 OG SER A 104 2.576 -23.647 2.727 1.00 0.00 O ATOM 0 H SER A 104 0.382 -24.904 2.416 1.00 0.00 H new ATOM 0 HA SER A 104 0.414 -22.050 2.097 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.189 -24.134 0.766 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.565 -22.447 1.056 1.00 0.00 H new ATOM 0 HG SER A 104 3.531 -23.845 2.633 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.115 -23.961 -0.557 1.00 0.00 N ATOM 1656 CA ILE A 105 -0.668 -23.961 -1.905 1.00 0.00 C ATOM 1657 C ILE A 105 -1.877 -23.037 -2.004 1.00 0.00 C ATOM 1658 O ILE A 105 -1.867 -22.063 -2.757 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.082 -25.378 -2.344 1.00 0.00 C ATOM 1660 CG1 ILE A 105 0.154 -26.261 -2.526 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -1.892 -25.319 -3.631 1.00 0.00 C ATOM 1662 CD1 ILE A 105 0.980 -25.901 -3.742 1.00 0.00 C ATOM 0 H ILE A 105 0.216 -24.871 -0.237 1.00 0.00 H new ATOM 0 HA ILE A 105 0.118 -23.599 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.706 -25.816 -1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.779 -26.185 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.161 -27.301 -2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.177 -26.328 -3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.789 -24.721 -3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.291 -24.865 -4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.840 -26.568 -3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.370 -26.005 -4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.326 -24.871 -3.655 1.00 0.00 H new ATOM 1674 N ALA A 106 -2.917 -23.348 -1.238 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.132 -22.543 -1.235 1.00 0.00 C ATOM 1676 C ALA A 106 -3.819 -21.076 -0.963 1.00 0.00 C ATOM 1677 O ALA A 106 -4.425 -20.181 -1.553 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.116 -23.075 -0.204 1.00 0.00 C ATOM 0 H ALA A 106 -2.943 -24.152 -0.611 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.586 -22.613 -2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.019 -22.464 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.374 -24.106 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.662 -23.037 0.786 1.00 0.00 H new ATOM 1684 N PHE A 107 -2.869 -20.836 -0.065 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.476 -19.476 0.287 1.00 0.00 C ATOM 1686 C PHE A 107 -2.128 -18.670 -0.961 1.00 0.00 C ATOM 1687 O PHE A 107 -2.558 -17.527 -1.117 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.282 -19.499 1.243 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.028 -18.181 1.917 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -1.864 -17.731 2.925 1.00 0.00 C ATOM 1691 CD2 PHE A 107 0.047 -17.391 1.541 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.633 -16.519 3.548 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.283 -16.178 2.160 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.559 -15.741 3.164 1.00 0.00 C ATOM 0 H PHE A 107 -2.357 -21.565 0.432 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.320 -18.997 0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.451 -20.261 2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.390 -19.793 0.690 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.707 -18.334 3.228 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.708 -17.727 0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.292 -16.181 4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.125 -15.572 1.859 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.378 -14.793 3.648 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.344 -19.274 -1.848 1.00 0.00 N ATOM 1705 CA LYS A 108 -0.936 -18.615 -3.083 1.00 0.00 C ATOM 1706 C LYS A 108 -2.043 -18.689 -4.130 1.00 0.00 C ATOM 1707 O LYS A 108 -2.385 -17.687 -4.757 1.00 0.00 O ATOM 1708 CB LYS A 108 0.341 -19.257 -3.631 1.00 0.00 C ATOM 1709 CG LYS A 108 1.576 -18.961 -2.797 1.00 0.00 C ATOM 1710 CD LYS A 108 1.790 -20.016 -1.724 1.00 0.00 C ATOM 1711 CE LYS A 108 2.480 -21.250 -2.285 1.00 0.00 C ATOM 1712 NZ LYS A 108 3.316 -21.932 -1.259 1.00 0.00 N ATOM 0 H LYS A 108 -0.978 -20.219 -1.734 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.741 -17.566 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.200 -20.336 -3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.507 -18.905 -4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.452 -18.917 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.475 -17.981 -2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.390 -19.598 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.829 -20.299 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.730 -21.945 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.105 -20.964 -3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.271 -22.090 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 3.376 -21.337 -0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.886 -22.846 -1.012 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.601 -19.881 -4.312 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.671 -20.084 -5.282 1.00 0.00 C ATOM 1728 C ASN A 109 -4.734 -18.998 -5.155 1.00 0.00 C ATOM 1729 O ASN A 109 -5.185 -18.437 -6.154 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.308 -21.462 -5.089 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.577 -22.549 -5.853 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -3.988 -22.938 -6.947 1.00 0.00 O ATOM 1733 ND2 ASN A 109 -2.487 -23.045 -5.279 1.00 0.00 N ATOM 0 H ASN A 109 -2.330 -20.721 -3.801 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.238 -20.028 -6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.316 -21.710 -4.028 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.347 -21.428 -5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.954 -23.778 -5.746 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -2.183 -22.692 -4.371 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.130 -18.706 -3.921 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.138 -17.686 -3.663 1.00 0.00 C ATOM 1742 C ILE A 110 -5.532 -16.288 -3.714 1.00 0.00 C ATOM 1743 O ILE A 110 -6.063 -15.393 -4.371 1.00 0.00 O ATOM 1744 CB ILE A 110 -6.811 -17.892 -2.293 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.089 -17.057 -2.196 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -5.849 -17.530 -1.171 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.124 -17.414 -3.239 1.00 0.00 C ATOM 0 H ILE A 110 -4.768 -19.162 -3.084 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.890 -17.782 -4.446 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.079 -18.944 -2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.524 -17.187 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.833 -16.002 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.339 -17.681 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.965 -18.164 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.553 -16.485 -1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.003 -16.783 -3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.707 -17.257 -4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.409 -18.460 -3.126 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.415 -16.108 -3.017 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.733 -14.820 -2.986 1.00 0.00 C ATOM 1761 C ALA A 111 -3.657 -14.205 -4.379 1.00 0.00 C ATOM 1762 O ALA A 111 -3.645 -12.984 -4.529 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.338 -14.975 -2.398 1.00 0.00 C ATOM 0 H ALA A 111 -3.963 -16.838 -2.466 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.310 -14.147 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.840 -14.005 -2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.412 -15.362 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.760 -15.668 -3.009 1.00 0.00 H new ATOM 1769 N SER A 112 -3.604 -15.060 -5.396 1.00 0.00 N ATOM 1770 CA SER A 112 -3.524 -14.600 -6.777 1.00 0.00 C ATOM 1771 C SER A 112 -4.793 -13.852 -7.175 1.00 0.00 C ATOM 1772 O SER A 112 -4.740 -12.698 -7.601 1.00 0.00 O ATOM 1773 CB SER A 112 -3.300 -15.785 -7.719 1.00 0.00 C ATOM 1774 OG SER A 112 -3.305 -15.368 -9.073 1.00 0.00 O ATOM 0 H SER A 112 -3.615 -16.074 -5.289 1.00 0.00 H new ATOM 0 HA SER A 112 -2.679 -13.916 -6.858 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.349 -16.264 -7.486 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.079 -16.531 -7.562 1.00 0.00 H new ATOM 0 HG SER A 112 -3.158 -16.143 -9.655 1.00 0.00 H new ATOM 1780 N LYS A 113 -5.934 -14.518 -7.033 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.218 -13.919 -7.376 1.00 0.00 C ATOM 1782 C LYS A 113 -7.363 -12.541 -6.737 1.00 0.00 C ATOM 1783 O LYS A 113 -7.441 -11.529 -7.433 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.364 -14.826 -6.923 1.00 0.00 C ATOM 1785 CG LYS A 113 -8.686 -15.936 -7.908 1.00 0.00 C ATOM 1786 CD LYS A 113 -7.555 -16.947 -7.999 1.00 0.00 C ATOM 1787 CE LYS A 113 -8.040 -18.279 -8.549 1.00 0.00 C ATOM 1788 NZ LYS A 113 -7.954 -18.329 -10.035 1.00 0.00 N ATOM 0 H LYS A 113 -5.995 -15.474 -6.682 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.260 -13.804 -8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.107 -15.269 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.256 -14.220 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -9.602 -16.441 -7.602 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.872 -15.507 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.765 -16.554 -8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.120 -17.097 -7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.444 -19.086 -8.123 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -9.072 -18.446 -8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.294 -19.253 -10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -8.542 -17.574 -10.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.966 -18.195 -10.330 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.397 -12.511 -5.409 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.530 -11.257 -4.677 1.00 0.00 C ATOM 1804 C ILE A 114 -6.737 -10.141 -5.350 1.00 0.00 C ATOM 1805 O ILE A 114 -7.261 -9.054 -5.593 1.00 0.00 O ATOM 1806 CB ILE A 114 -7.054 -11.402 -3.220 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.841 -12.507 -2.511 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.202 -10.081 -2.480 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.336 -12.278 -2.509 1.00 0.00 C ATOM 0 H ILE A 114 -7.334 -13.340 -4.818 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.589 -11.001 -4.681 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.999 -11.678 -3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.628 -13.461 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.492 -12.587 -1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -6.861 -10.200 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.602 -9.317 -2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.249 -9.778 -2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.829 -13.100 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.560 -11.341 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.698 -12.228 -3.536 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.473 -10.419 -5.650 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.609 -9.440 -6.298 1.00 0.00 C ATOM 1823 C ALA A 115 -5.192 -8.993 -7.635 1.00 0.00 C ATOM 1824 O ALA A 115 -5.532 -7.825 -7.814 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.214 -10.016 -6.495 1.00 0.00 C ATOM 0 H ALA A 115 -5.024 -11.314 -5.455 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.542 -8.566 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.579 -9.274 -6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.789 -10.280 -5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.273 -10.907 -7.120 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.304 -9.931 -8.569 1.00 0.00 N ATOM 1832 CA ASN A 116 -5.845 -9.633 -9.890 1.00 0.00 C ATOM 1833 C ASN A 116 -7.116 -8.796 -9.781 1.00 0.00 C ATOM 1834 O ASN A 116 -7.322 -7.861 -10.555 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.138 -10.929 -10.649 1.00 0.00 C ATOM 1836 CG ASN A 116 -4.913 -11.475 -11.357 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -4.675 -11.178 -12.527 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -4.129 -12.278 -10.647 1.00 0.00 N ATOM 0 H ASN A 116 -5.027 -10.904 -8.436 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.099 -9.059 -10.440 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.515 -11.677 -9.952 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -6.926 -10.748 -11.380 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -3.290 -12.676 -11.069 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -4.366 -12.497 -9.679 1.00 0.00 H new ATOM 1845 N GLU A 117 -7.962 -9.138 -8.815 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.212 -8.417 -8.606 1.00 0.00 C ATOM 1847 C GLU A 117 -8.948 -7.014 -8.066 1.00 0.00 C ATOM 1848 O GLU A 117 -9.581 -6.045 -8.486 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.114 -9.186 -7.638 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.381 -10.620 -8.065 1.00 0.00 C ATOM 1851 CD GLU A 117 -11.735 -11.124 -7.603 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -12.662 -10.298 -7.467 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -11.867 -12.345 -7.376 1.00 0.00 O ATOM 0 H GLU A 117 -7.805 -9.909 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.715 -8.328 -9.569 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.653 -9.190 -6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.064 -8.660 -7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.323 -10.688 -9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.601 -11.266 -7.663 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.009 -6.914 -7.131 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.660 -5.631 -6.532 1.00 0.00 C ATOM 1862 C LEU A 118 -6.690 -4.860 -7.422 1.00 0.00 C ATOM 1863 O LEU A 118 -6.161 -3.821 -7.028 1.00 0.00 O ATOM 1864 CB LEU A 118 -7.043 -5.842 -5.149 1.00 0.00 C ATOM 1865 CG LEU A 118 -8.027 -5.945 -3.983 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.342 -6.526 -2.756 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.624 -4.582 -3.668 1.00 0.00 C ATOM 0 H LEU A 118 -7.476 -7.706 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.574 -5.046 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.445 -6.753 -5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.359 -5.017 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.836 -6.616 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.058 -6.592 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.963 -7.522 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.513 -5.882 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.322 -4.674 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.827 -3.889 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.152 -4.205 -4.544 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.462 -5.375 -8.625 1.00 0.00 N ATOM 1880 CA LYS A 119 -5.559 -4.735 -9.574 1.00 0.00 C ATOM 1881 C LYS A 119 -4.191 -4.491 -8.943 1.00 0.00 C ATOM 1882 O LYS A 119 -3.513 -3.515 -9.265 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.152 -3.411 -10.060 1.00 0.00 C ATOM 1884 CG LYS A 119 -7.059 -3.558 -11.269 1.00 0.00 C ATOM 1885 CD LYS A 119 -6.299 -4.080 -12.477 1.00 0.00 C ATOM 1886 CE LYS A 119 -7.084 -3.871 -13.763 1.00 0.00 C ATOM 1887 NZ LYS A 119 -6.479 -4.607 -14.907 1.00 0.00 N ATOM 0 H LYS A 119 -6.891 -6.235 -8.966 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.433 -5.404 -10.426 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.716 -2.955 -9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.340 -2.728 -10.307 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.877 -4.238 -11.031 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.506 -2.593 -11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.337 -3.572 -12.550 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.090 -5.142 -12.346 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -8.112 -4.204 -13.619 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.123 -2.807 -13.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.043 -4.439 -15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.507 -4.271 -15.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.464 -5.625 -14.696 1.00 0.00 H new ATOM 1901 N LEU A 120 -3.792 -5.384 -8.045 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.504 -5.267 -7.370 1.00 0.00 C ATOM 1903 C LEU A 120 -1.398 -5.928 -8.187 1.00 0.00 C ATOM 1904 O LEU A 120 -1.648 -6.470 -9.264 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.574 -5.901 -5.980 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.430 -5.164 -4.949 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.584 -6.000 -3.688 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -2.821 -3.809 -4.621 1.00 0.00 C ATOM 0 H LEU A 120 -4.341 -6.197 -7.767 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.271 -4.207 -7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.959 -6.915 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.560 -5.984 -5.589 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.420 -5.002 -5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.196 -5.460 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.065 -6.946 -3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.601 -6.194 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.443 -3.299 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.820 -3.949 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.763 -3.207 -5.528 1.00 0.00 H new ATOM 1920 N SER A 121 -0.176 -5.880 -7.667 1.00 0.00 N ATOM 1921 CA SER A 121 0.968 -6.473 -8.350 1.00 0.00 C ATOM 1922 C SER A 121 0.621 -7.856 -8.893 1.00 0.00 C ATOM 1923 O SER A 121 0.816 -8.139 -10.074 1.00 0.00 O ATOM 1924 CB SER A 121 2.162 -6.572 -7.397 1.00 0.00 C ATOM 1925 OG SER A 121 3.359 -6.843 -8.106 1.00 0.00 O ATOM 0 H SER A 121 0.047 -5.437 -6.776 1.00 0.00 H new ATOM 0 HA SER A 121 1.233 -5.829 -9.189 1.00 0.00 H new ATOM 0 HB2 SER A 121 2.267 -5.639 -6.843 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.983 -7.360 -6.665 1.00 0.00 H new ATOM 0 HG SER A 121 4.107 -6.900 -7.475 1.00 0.00 H new ATOM 1931 N GLY A 122 0.103 -8.715 -8.019 1.00 0.00 N ATOM 1932 CA GLY A 122 -0.264 -10.058 -8.429 1.00 0.00 C ATOM 1933 C GLY A 122 0.944 -10.944 -8.659 1.00 0.00 C ATOM 1934 O GLY A 122 1.264 -11.313 -9.789 1.00 0.00 O ATOM 0 H GLY A 122 -0.069 -8.505 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.900 -10.507 -7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.853 -10.007 -9.345 1.00 0.00 H new ATOM 1938 N PRO A 123 1.639 -11.299 -7.568 1.00 0.00 N ATOM 1939 CA PRO A 123 2.831 -12.151 -7.631 1.00 0.00 C ATOM 1940 C PRO A 123 2.495 -13.590 -8.004 1.00 0.00 C ATOM 1941 O PRO A 123 1.740 -14.264 -7.303 1.00 0.00 O ATOM 1942 CB PRO A 123 3.390 -12.084 -6.207 1.00 0.00 C ATOM 1943 CG PRO A 123 2.212 -11.766 -5.352 1.00 0.00 C ATOM 1944 CD PRO A 123 1.316 -10.896 -6.189 1.00 0.00 C ATOM 0 HA PRO A 123 3.532 -11.816 -8.395 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.846 -13.030 -5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.161 -11.318 -6.120 1.00 0.00 H new ATOM 0 HG2 PRO A 123 1.696 -12.676 -5.044 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.518 -11.250 -4.442 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.264 -11.063 -5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.515 -9.837 -6.023 1.00 0.00 H new