USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=19 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 28:sc= 1.07 USER MOD Set 1.2: A 69 HIS : no HD1:sc=-0.00942 X(o=1.1,f=1.1) USER MOD Set 2.1: A 35 SER OG : rot -117:sc= 0.103 USER MOD Set 2.2: A 93 ASN : amide:sc= -4.97! C(o=-4.9!,f=-10!) USER MOD Single : A 29 ASN : amide:sc= -0.0366 K(o=-0.037,f=0.63) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -57:sc= 0.29 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.191 USER MOD Single : A 42 MET CE :methyl -117:sc= -1.72 (180deg=-6.16!) USER MOD Single : A 43 MET CE :methyl 180:sc= -3.2! (180deg=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 146:sc= -1.14 (180deg=-2.11) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.9!) USER MOD Single : A 57 TYR OH : rot 165:sc= 0.013 USER MOD Single : A 59 GLN : amide:sc= -0.01 K(o=-0.01,f=-1.3) USER MOD Single : A 67 CYS SG : rot 177:sc= -1.25 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 82 MET CE :methyl -179:sc= -4! (180deg=-4.03!) USER MOD Single : A 85 CYS SG : rot 180:sc= 0.00572 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 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+ -152:sc= -0.14 (180deg=-0.857) USER MOD Single : A 109 ASN : amide:sc= 0.475 K(o=0.48,f=-0.096) 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= -6.75! C(o=-6.8!,f=-11!) USER MOD Single : A 119 LYS NZ :NH3+ 162:sc= -0.0313 (180deg=-0.331) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 457 N ASN A 29 4.809 -14.877 2.950 1.00 0.00 N ATOM 458 CA ASN A 29 4.151 -13.589 2.767 1.00 0.00 C ATOM 459 C ASN A 29 4.121 -13.197 1.293 1.00 0.00 C ATOM 460 O ASN A 29 4.903 -13.704 0.488 1.00 0.00 O ATOM 461 CB ASN A 29 4.867 -12.507 3.580 1.00 0.00 C ATOM 462 CG ASN A 29 4.667 -12.679 5.073 1.00 0.00 C ATOM 463 OD1 ASN A 29 3.679 -12.207 5.636 1.00 0.00 O ATOM 464 ND2 ASN A 29 5.606 -13.356 5.722 1.00 0.00 N ATOM 0 HA ASN A 29 3.124 -13.681 3.121 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.933 -12.532 3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.500 -11.526 3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.526 -13.503 6.728 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.408 -13.730 5.215 1.00 0.00 H new ATOM 471 N LEU A 30 3.214 -12.290 0.946 1.00 0.00 N ATOM 472 CA LEU A 30 3.082 -11.828 -0.431 1.00 0.00 C ATOM 473 C LEU A 30 2.980 -10.308 -0.489 1.00 0.00 C ATOM 474 O LEU A 30 2.461 -9.675 0.432 1.00 0.00 O ATOM 475 CB LEU A 30 1.852 -12.459 -1.086 1.00 0.00 C ATOM 476 CG LEU A 30 2.079 -13.794 -1.795 1.00 0.00 C ATOM 477 CD1 LEU A 30 0.778 -14.311 -2.390 1.00 0.00 C ATOM 478 CD2 LEU A 30 3.141 -13.651 -2.875 1.00 0.00 C ATOM 0 H LEU A 30 2.559 -11.860 1.599 1.00 0.00 H new ATOM 0 HA LEU A 30 3.974 -12.134 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.091 -12.603 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.447 -11.751 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 30 2.432 -14.518 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.959 -15.262 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.046 -14.453 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.395 -13.589 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.289 -14.611 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.817 -12.912 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.078 -13.327 -2.423 1.00 0.00 H new ATOM 490 N TYR A 31 3.476 -9.727 -1.576 1.00 0.00 N ATOM 491 CA TYR A 31 3.440 -8.280 -1.753 1.00 0.00 C ATOM 492 C TYR A 31 2.885 -7.913 -3.126 1.00 0.00 C ATOM 493 O TYR A 31 3.213 -8.544 -4.130 1.00 0.00 O ATOM 494 CB TYR A 31 4.841 -7.690 -1.583 1.00 0.00 C ATOM 495 CG TYR A 31 5.651 -8.357 -0.494 1.00 0.00 C ATOM 496 CD1 TYR A 31 5.302 -8.214 0.844 1.00 0.00 C ATOM 497 CD2 TYR A 31 6.765 -9.127 -0.802 1.00 0.00 C ATOM 498 CE1 TYR A 31 6.039 -8.821 1.843 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.507 -9.739 0.190 1.00 0.00 C ATOM 500 CZ TYR A 31 7.140 -9.582 1.511 1.00 0.00 C ATOM 501 OH TYR A 31 7.877 -10.189 2.502 1.00 0.00 O ATOM 0 H TYR A 31 3.908 -10.236 -2.348 1.00 0.00 H new ATOM 0 HA TYR A 31 2.782 -7.862 -0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.379 -7.774 -2.527 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.754 -6.627 -1.360 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.440 -7.618 1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.056 -9.250 -1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.754 -8.700 2.878 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.369 -10.337 -0.067 1.00 0.00 H new ATOM 0 HH TYR A 31 8.618 -10.688 2.099 1.00 0.00 H new ATOM 511 N PHE A 32 2.041 -6.887 -3.160 1.00 0.00 N ATOM 512 CA PHE A 32 1.438 -6.435 -4.409 1.00 0.00 C ATOM 513 C PHE A 32 1.446 -4.911 -4.495 1.00 0.00 C ATOM 514 O PHE A 32 1.690 -4.225 -3.504 1.00 0.00 O ATOM 515 CB PHE A 32 0.005 -6.956 -4.526 1.00 0.00 C ATOM 516 CG PHE A 32 -0.099 -8.451 -4.427 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.176 -9.073 -3.192 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.120 -9.235 -5.570 1.00 0.00 C ATOM 519 CE1 PHE A 32 -0.272 -10.449 -3.097 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.216 -10.611 -5.482 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.291 -11.219 -4.244 1.00 0.00 C ATOM 0 H PHE A 32 1.759 -6.353 -2.338 1.00 0.00 H new ATOM 0 HA PHE A 32 2.029 -6.832 -5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.602 -6.505 -3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.414 -6.633 -5.479 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.161 -8.476 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.061 -8.765 -6.541 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.332 -10.921 -2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.232 -11.210 -6.380 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.364 -12.294 -4.173 1.00 0.00 H new ATOM 531 N GLN A 33 1.178 -4.391 -5.689 1.00 0.00 N ATOM 532 CA GLN A 33 1.155 -2.949 -5.905 1.00 0.00 C ATOM 533 C GLN A 33 -0.034 -2.548 -6.773 1.00 0.00 C ATOM 534 O GLN A 33 -0.128 -2.941 -7.934 1.00 0.00 O ATOM 535 CB GLN A 33 2.458 -2.490 -6.561 1.00 0.00 C ATOM 536 CG GLN A 33 3.545 -2.123 -5.563 1.00 0.00 C ATOM 537 CD GLN A 33 4.509 -1.086 -6.105 1.00 0.00 C ATOM 538 OE1 GLN A 33 5.562 -1.423 -6.646 1.00 0.00 O ATOM 539 NE2 GLN A 33 4.152 0.185 -5.963 1.00 0.00 N ATOM 0 H GLN A 33 0.974 -4.946 -6.520 1.00 0.00 H new ATOM 0 HA GLN A 33 1.054 -2.463 -4.935 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.826 -3.283 -7.212 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.252 -1.627 -7.195 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.083 -1.743 -4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.099 -3.021 -5.289 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.270 0.419 -5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.760 0.927 -6.309 1.00 0.00 H new ATOM 548 N GLY A 34 -0.940 -1.761 -6.199 1.00 0.00 N ATOM 549 CA GLY A 34 -2.111 -1.320 -6.935 1.00 0.00 C ATOM 550 C GLY A 34 -3.309 -1.092 -6.035 1.00 0.00 C ATOM 551 O GLY A 34 -4.322 -1.781 -6.151 1.00 0.00 O ATOM 0 H GLY A 34 -0.884 -1.422 -5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.877 -0.396 -7.464 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.364 -2.065 -7.690 1.00 0.00 H new ATOM 555 N SER A 35 -3.193 -0.122 -5.133 1.00 0.00 N ATOM 556 CA SER A 35 -4.273 0.192 -4.205 1.00 0.00 C ATOM 557 C SER A 35 -5.301 1.111 -4.859 1.00 0.00 C ATOM 558 O SER A 35 -5.049 1.690 -5.915 1.00 0.00 O ATOM 559 CB SER A 35 -3.714 0.851 -2.943 1.00 0.00 C ATOM 560 OG SER A 35 -2.531 0.202 -2.510 1.00 0.00 O ATOM 0 H SER A 35 -2.362 0.460 -5.025 1.00 0.00 H new ATOM 0 HA SER A 35 -4.766 -0.741 -3.931 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.504 1.902 -3.140 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.461 0.818 -2.150 1.00 0.00 H new ATOM 0 HG SER A 35 -2.679 -0.192 -1.625 1.00 0.00 H new ATOM 566 N SER A 36 -6.461 1.238 -4.223 1.00 0.00 N ATOM 567 CA SER A 36 -7.530 2.082 -4.743 1.00 0.00 C ATOM 568 C SER A 36 -7.246 3.554 -4.461 1.00 0.00 C ATOM 569 O SER A 36 -8.117 4.288 -3.995 1.00 0.00 O ATOM 570 CB SER A 36 -8.871 1.682 -4.126 1.00 0.00 C ATOM 571 OG SER A 36 -9.946 2.352 -4.763 1.00 0.00 O ATOM 0 H SER A 36 -6.685 0.767 -3.346 1.00 0.00 H new ATOM 0 HA SER A 36 -7.579 1.940 -5.823 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.008 0.604 -4.213 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.870 1.919 -3.062 1.00 0.00 H new ATOM 0 HG SER A 36 -9.812 3.321 -4.698 1.00 0.00 H new ATOM 577 N GLY A 37 -6.018 3.979 -4.745 1.00 0.00 N ATOM 578 CA GLY A 37 -5.639 5.361 -4.515 1.00 0.00 C ATOM 579 C GLY A 37 -5.110 5.592 -3.114 1.00 0.00 C ATOM 580 O GLY A 37 -3.902 5.710 -2.911 1.00 0.00 O ATOM 0 H GLY A 37 -5.279 3.391 -5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.878 5.651 -5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.502 6.004 -4.685 1.00 0.00 H new ATOM 584 N SER A 38 -6.017 5.657 -2.144 1.00 0.00 N ATOM 585 CA SER A 38 -5.635 5.881 -0.754 1.00 0.00 C ATOM 586 C SER A 38 -5.539 4.560 0.002 1.00 0.00 C ATOM 587 O SER A 38 -5.836 3.497 -0.543 1.00 0.00 O ATOM 588 CB SER A 38 -6.645 6.803 -0.068 1.00 0.00 C ATOM 589 OG SER A 38 -6.754 8.039 -0.751 1.00 0.00 O ATOM 0 H SER A 38 -7.021 5.558 -2.295 1.00 0.00 H new ATOM 0 HA SER A 38 -4.655 6.357 -0.744 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.620 6.317 -0.032 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.339 6.980 0.963 1.00 0.00 H new ATOM 0 HG SER A 38 -7.407 8.609 -0.294 1.00 0.00 H new ATOM 595 N SER A 39 -5.122 4.635 1.262 1.00 0.00 N ATOM 596 CA SER A 39 -4.982 3.446 2.094 1.00 0.00 C ATOM 597 C SER A 39 -6.329 3.031 2.679 1.00 0.00 C ATOM 598 O SER A 39 -6.519 1.882 3.074 1.00 0.00 O ATOM 599 CB SER A 39 -3.980 3.700 3.221 1.00 0.00 C ATOM 600 OG SER A 39 -2.647 3.593 2.752 1.00 0.00 O ATOM 0 H SER A 39 -4.875 5.508 1.729 1.00 0.00 H new ATOM 0 HA SER A 39 -4.612 2.635 1.466 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.143 4.693 3.640 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.144 2.984 4.026 1.00 0.00 H new ATOM 0 HG SER A 39 -2.026 3.761 3.491 1.00 0.00 H new ATOM 606 N GLY A 40 -7.261 3.978 2.731 1.00 0.00 N ATOM 607 CA GLY A 40 -8.578 3.693 3.270 1.00 0.00 C ATOM 608 C GLY A 40 -9.424 2.863 2.324 1.00 0.00 C ATOM 609 O GLY A 40 -9.935 1.808 2.701 1.00 0.00 O ATOM 0 H GLY A 40 -7.128 4.937 2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.473 3.164 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.091 4.631 3.483 1.00 0.00 H new ATOM 613 N ASP A 41 -9.573 3.339 1.093 1.00 0.00 N ATOM 614 CA ASP A 41 -10.364 2.634 0.091 1.00 0.00 C ATOM 615 C ASP A 41 -10.100 1.132 0.149 1.00 0.00 C ATOM 616 O ASP A 41 -11.025 0.326 0.050 1.00 0.00 O ATOM 617 CB ASP A 41 -10.045 3.166 -1.307 1.00 0.00 C ATOM 618 CG ASP A 41 -10.579 4.568 -1.529 1.00 0.00 C ATOM 619 OD1 ASP A 41 -11.812 4.720 -1.652 1.00 0.00 O ATOM 620 OD2 ASP A 41 -9.763 5.512 -1.579 1.00 0.00 O ATOM 0 H ASP A 41 -9.156 4.210 0.765 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.418 2.808 0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.965 3.164 -1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.471 2.496 -2.054 1.00 0.00 H new ATOM 625 N MET A 42 -8.834 0.765 0.310 1.00 0.00 N ATOM 626 CA MET A 42 -8.449 -0.640 0.382 1.00 0.00 C ATOM 627 C MET A 42 -9.411 -1.422 1.270 1.00 0.00 C ATOM 628 O MET A 42 -10.119 -2.313 0.801 1.00 0.00 O ATOM 629 CB MET A 42 -7.021 -0.774 0.914 1.00 0.00 C ATOM 630 CG MET A 42 -5.964 -0.781 -0.177 1.00 0.00 C ATOM 631 SD MET A 42 -5.584 -2.442 -0.766 1.00 0.00 S ATOM 632 CE MET A 42 -6.118 -2.327 -2.472 1.00 0.00 C ATOM 0 H MET A 42 -8.057 1.420 0.393 1.00 0.00 H new ATOM 0 HA MET A 42 -8.493 -1.055 -0.625 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.819 0.049 1.599 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.942 -1.695 1.491 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.307 -0.173 -1.014 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.053 -0.317 0.202 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.937 -3.025 -2.645 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.456 -1.312 -2.680 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.286 -2.574 -3.131 1.00 0.00 H new ATOM 642 N MET A 43 -9.431 -1.084 2.555 1.00 0.00 N ATOM 643 CA MET A 43 -10.307 -1.755 3.509 1.00 0.00 C ATOM 644 C MET A 43 -11.631 -2.138 2.854 1.00 0.00 C ATOM 645 O MET A 43 -12.223 -3.165 3.185 1.00 0.00 O ATOM 646 CB MET A 43 -10.565 -0.854 4.718 1.00 0.00 C ATOM 647 CG MET A 43 -9.312 -0.178 5.251 1.00 0.00 C ATOM 648 SD MET A 43 -9.382 0.111 7.029 1.00 0.00 S ATOM 649 CE MET A 43 -9.134 -1.549 7.652 1.00 0.00 C ATOM 0 H MET A 43 -8.851 -0.349 2.960 1.00 0.00 H new ATOM 0 HA MET A 43 -9.810 -2.666 3.843 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.291 -0.089 4.442 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.014 -1.448 5.514 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.444 -0.797 5.021 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.170 0.773 4.738 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.152 -1.535 8.742 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.929 -2.198 7.284 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.170 -1.926 7.310 1.00 0.00 H new ATOM 659 N ARG A 44 -12.089 -1.306 1.924 1.00 0.00 N ATOM 660 CA ARG A 44 -13.343 -1.558 1.225 1.00 0.00 C ATOM 661 C ARG A 44 -13.110 -2.412 -0.018 1.00 0.00 C ATOM 662 O ARG A 44 -13.646 -3.514 -0.133 1.00 0.00 O ATOM 663 CB ARG A 44 -14.006 -0.236 0.831 1.00 0.00 C ATOM 664 CG ARG A 44 -14.719 0.454 1.983 1.00 0.00 C ATOM 665 CD ARG A 44 -14.705 1.966 1.820 1.00 0.00 C ATOM 666 NE ARG A 44 -15.785 2.433 0.955 1.00 0.00 N ATOM 667 CZ ARG A 44 -16.167 3.703 0.877 1.00 0.00 C ATOM 668 NH1 ARG A 44 -15.558 4.628 1.607 1.00 0.00 N ATOM 669 NH2 ARG A 44 -17.158 4.051 0.067 1.00 0.00 N ATOM 0 H ARG A 44 -11.610 -0.452 1.637 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.004 -2.102 1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.247 0.436 0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.722 -0.423 0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.749 0.102 2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.239 0.184 2.924 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.795 2.437 2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.747 2.277 1.404 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.273 1.747 0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.794 4.365 2.230 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.853 5.602 1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.628 3.343 -0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.450 5.027 0.008 1.00 0.00 H new ATOM 683 N GLU A 45 -12.310 -1.895 -0.944 1.00 0.00 N ATOM 684 CA GLU A 45 -12.008 -2.611 -2.178 1.00 0.00 C ATOM 685 C GLU A 45 -11.756 -4.090 -1.902 1.00 0.00 C ATOM 686 O GLU A 45 -12.140 -4.954 -2.690 1.00 0.00 O ATOM 687 CB GLU A 45 -10.789 -1.994 -2.867 1.00 0.00 C ATOM 688 CG GLU A 45 -10.746 -2.241 -4.365 1.00 0.00 C ATOM 689 CD GLU A 45 -9.460 -1.750 -5.001 1.00 0.00 C ATOM 690 OE1 GLU A 45 -8.394 -1.884 -4.365 1.00 0.00 O ATOM 691 OE2 GLU A 45 -9.520 -1.232 -6.136 1.00 0.00 O ATOM 0 H GLU A 45 -11.859 -0.984 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.871 -2.525 -2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.784 -0.919 -2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.883 -2.398 -2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.857 -3.308 -4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.593 -1.743 -4.836 1.00 0.00 H new ATOM 698 N ILE A 46 -11.107 -4.373 -0.777 1.00 0.00 N ATOM 699 CA ILE A 46 -10.804 -5.747 -0.396 1.00 0.00 C ATOM 700 C ILE A 46 -12.080 -6.541 -0.138 1.00 0.00 C ATOM 701 O ILE A 46 -12.376 -7.506 -0.844 1.00 0.00 O ATOM 702 CB ILE A 46 -9.917 -5.799 0.863 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.626 -5.011 0.636 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.606 -7.242 1.232 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.938 -4.597 1.918 1.00 0.00 C ATOM 0 H ILE A 46 -10.781 -3.669 -0.114 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.264 -6.194 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.459 -5.342 1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.940 -5.616 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.852 -4.120 0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.979 -7.263 2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.536 -7.775 1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.080 -7.723 0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.030 -4.042 1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.607 -3.965 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.681 -5.485 2.496 1.00 0.00 H new ATOM 717 N ARG A 47 -12.834 -6.127 0.875 1.00 0.00 N ATOM 718 CA ARG A 47 -14.079 -6.799 1.225 1.00 0.00 C ATOM 719 C ARG A 47 -14.862 -7.179 -0.027 1.00 0.00 C ATOM 720 O ARG A 47 -15.390 -8.287 -0.130 1.00 0.00 O ATOM 721 CB ARG A 47 -14.934 -5.900 2.121 1.00 0.00 C ATOM 722 CG ARG A 47 -14.422 -5.799 3.548 1.00 0.00 C ATOM 723 CD ARG A 47 -15.108 -4.673 4.308 1.00 0.00 C ATOM 724 NE ARG A 47 -16.562 -4.800 4.278 1.00 0.00 N ATOM 725 CZ ARG A 47 -17.393 -3.784 4.484 1.00 0.00 C ATOM 726 NH1 ARG A 47 -16.915 -2.573 4.734 1.00 0.00 N ATOM 727 NH2 ARG A 47 -18.705 -3.978 4.441 1.00 0.00 N ATOM 0 H ARG A 47 -12.604 -5.329 1.468 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.830 -7.711 1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.974 -4.901 1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.955 -6.282 2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.591 -6.744 4.064 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.345 -5.630 3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.765 -4.673 5.343 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.819 -3.715 3.876 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.962 -5.719 4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.907 -2.420 4.769 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.555 -1.795 4.892 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -19.077 -4.908 4.250 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -19.342 -3.197 4.599 1.00 0.00 H new ATOM 741 N LYS A 48 -14.934 -6.254 -0.978 1.00 0.00 N ATOM 742 CA LYS A 48 -15.652 -6.491 -2.225 1.00 0.00 C ATOM 743 C LYS A 48 -15.228 -7.815 -2.853 1.00 0.00 C ATOM 744 O LYS A 48 -16.068 -8.616 -3.263 1.00 0.00 O ATOM 745 CB LYS A 48 -15.402 -5.345 -3.207 1.00 0.00 C ATOM 746 CG LYS A 48 -15.932 -5.615 -4.605 1.00 0.00 C ATOM 747 CD LYS A 48 -15.076 -4.943 -5.665 1.00 0.00 C ATOM 748 CE LYS A 48 -15.319 -3.442 -5.710 1.00 0.00 C ATOM 749 NZ LYS A 48 -14.604 -2.732 -4.614 1.00 0.00 N ATOM 0 H LYS A 48 -14.503 -5.332 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.717 -6.541 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.867 -4.438 -2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.330 -5.154 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.957 -6.690 -4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.958 -5.255 -4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.023 -5.136 -5.460 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.295 -5.377 -6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.990 -3.049 -6.672 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.388 -3.245 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.296 -1.797 -4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.242 -2.616 -3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.773 -3.287 -4.325 1.00 0.00 H new ATOM 763 N VAL A 49 -13.920 -8.038 -2.926 1.00 0.00 N ATOM 764 CA VAL A 49 -13.385 -9.266 -3.502 1.00 0.00 C ATOM 765 C VAL A 49 -13.593 -10.449 -2.564 1.00 0.00 C ATOM 766 O VAL A 49 -13.794 -11.580 -3.009 1.00 0.00 O ATOM 767 CB VAL A 49 -11.882 -9.131 -3.814 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.419 -10.269 -4.711 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.591 -7.783 -4.456 1.00 0.00 C ATOM 0 H VAL A 49 -13.211 -7.384 -2.593 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.927 -9.443 -4.431 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.327 -9.189 -2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.355 -10.157 -4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.592 -11.221 -4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.978 -10.245 -5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.525 -7.704 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.155 -7.693 -5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.884 -6.985 -3.774 1.00 0.00 H new ATOM 779 N LEU A 50 -13.544 -10.182 -1.263 1.00 0.00 N ATOM 780 CA LEU A 50 -13.728 -11.226 -0.261 1.00 0.00 C ATOM 781 C LEU A 50 -15.121 -11.839 -0.362 1.00 0.00 C ATOM 782 O LEU A 50 -15.268 -13.037 -0.598 1.00 0.00 O ATOM 783 CB LEU A 50 -13.510 -10.656 1.142 1.00 0.00 C ATOM 784 CG LEU A 50 -12.142 -10.025 1.405 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.030 -9.580 2.855 1.00 0.00 C ATOM 786 CD2 LEU A 50 -11.029 -11.003 1.058 1.00 0.00 C ATOM 0 H LEU A 50 -13.379 -9.252 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.993 -12.009 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.277 -9.904 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.664 -11.457 1.866 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.039 -9.147 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.050 -9.133 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.806 -8.845 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.154 -10.442 3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.062 -10.538 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.129 -11.900 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.097 -11.273 0.004 1.00 0.00 H new ATOM 798 N GLY A 51 -16.143 -11.006 -0.184 1.00 0.00 N ATOM 799 CA GLY A 51 -17.511 -11.484 -0.261 1.00 0.00 C ATOM 800 C GLY A 51 -17.828 -12.122 -1.600 1.00 0.00 C ATOM 801 O GLY A 51 -18.719 -12.965 -1.698 1.00 0.00 O ATOM 0 H GLY A 51 -16.047 -10.010 0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.684 -12.209 0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.194 -10.652 -0.088 1.00 0.00 H new ATOM 805 N ALA A 52 -17.097 -11.717 -2.634 1.00 0.00 N ATOM 806 CA ALA A 52 -17.305 -12.255 -3.972 1.00 0.00 C ATOM 807 C ALA A 52 -16.949 -13.737 -4.030 1.00 0.00 C ATOM 808 O ALA A 52 -17.638 -14.525 -4.675 1.00 0.00 O ATOM 809 CB ALA A 52 -16.485 -11.473 -4.988 1.00 0.00 C ATOM 0 H ALA A 52 -16.356 -11.019 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.362 -12.153 -4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.650 -11.885 -5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.790 -10.427 -4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.427 -11.546 -4.736 1.00 0.00 H new ATOM 815 N ASN A 53 -15.867 -14.107 -3.353 1.00 0.00 N ATOM 816 CA ASN A 53 -15.418 -15.495 -3.329 1.00 0.00 C ATOM 817 C ASN A 53 -15.875 -16.192 -2.051 1.00 0.00 C ATOM 818 O ASN A 53 -15.186 -17.067 -1.530 1.00 0.00 O ATOM 819 CB ASN A 53 -13.894 -15.561 -3.443 1.00 0.00 C ATOM 820 CG ASN A 53 -13.424 -15.646 -4.882 1.00 0.00 C ATOM 821 OD1 ASN A 53 -12.945 -16.687 -5.330 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.560 -14.546 -5.614 1.00 0.00 N ATOM 0 H ASN A 53 -15.285 -13.466 -2.814 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.862 -16.010 -4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.459 -14.679 -2.973 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.529 -16.428 -2.893 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.262 -14.542 -6.589 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.963 -13.705 -5.201 1.00 0.00 H new ATOM 829 N ASN A 54 -17.043 -15.798 -1.554 1.00 0.00 N ATOM 830 CA ASN A 54 -17.593 -16.385 -0.337 1.00 0.00 C ATOM 831 C ASN A 54 -16.574 -16.338 0.798 1.00 0.00 C ATOM 832 O ASN A 54 -16.441 -17.292 1.565 1.00 0.00 O ATOM 833 CB ASN A 54 -18.022 -17.831 -0.593 1.00 0.00 C ATOM 834 CG ASN A 54 -19.426 -17.925 -1.159 1.00 0.00 C ATOM 835 OD1 ASN A 54 -20.248 -17.030 -0.963 1.00 0.00 O ATOM 836 ND2 ASN A 54 -19.706 -19.014 -1.866 1.00 0.00 N ATOM 0 H ASN A 54 -17.627 -15.075 -1.975 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.465 -15.801 -0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -17.322 -18.298 -1.286 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -17.971 -18.393 0.339 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -20.634 -19.134 -2.272 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -18.993 -19.730 -2.003 1.00 0.00 H new ATOM 843 N CYS A 55 -15.859 -15.223 0.898 1.00 0.00 N ATOM 844 CA CYS A 55 -14.852 -15.051 1.939 1.00 0.00 C ATOM 845 C CYS A 55 -15.313 -14.036 2.980 1.00 0.00 C ATOM 846 O CYS A 55 -15.735 -12.931 2.638 1.00 0.00 O ATOM 847 CB CYS A 55 -13.525 -14.604 1.325 1.00 0.00 C ATOM 848 SG CYS A 55 -12.875 -15.732 0.070 1.00 0.00 S ATOM 0 H CYS A 55 -15.958 -14.425 0.271 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.709 -16.012 2.434 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.657 -13.618 0.879 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.787 -14.498 2.120 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.859 -16.369 -0.492 1.00 0.00 H new ATOM 854 N ASP A 56 -15.231 -14.418 4.249 1.00 0.00 N ATOM 855 CA ASP A 56 -15.641 -13.541 5.340 1.00 0.00 C ATOM 856 C ASP A 56 -14.474 -12.677 5.809 1.00 0.00 C ATOM 857 O ASP A 56 -13.315 -12.971 5.518 1.00 0.00 O ATOM 858 CB ASP A 56 -16.184 -14.365 6.508 1.00 0.00 C ATOM 859 CG ASP A 56 -17.619 -14.802 6.291 1.00 0.00 C ATOM 860 OD1 ASP A 56 -18.528 -13.961 6.458 1.00 0.00 O ATOM 861 OD2 ASP A 56 -17.834 -15.985 5.953 1.00 0.00 O ATOM 0 H ASP A 56 -14.884 -15.329 4.548 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.430 -12.886 4.971 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.557 -15.245 6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.121 -13.777 7.424 1.00 0.00 H new ATOM 866 N TYR A 57 -14.790 -11.610 6.535 1.00 0.00 N ATOM 867 CA TYR A 57 -13.769 -10.701 7.042 1.00 0.00 C ATOM 868 C TYR A 57 -14.144 -10.177 8.425 1.00 0.00 C ATOM 869 O TYR A 57 -15.281 -9.770 8.658 1.00 0.00 O ATOM 870 CB TYR A 57 -13.573 -9.531 6.076 1.00 0.00 C ATOM 871 CG TYR A 57 -14.868 -8.981 5.521 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.495 -9.586 4.439 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.464 -7.857 6.080 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.678 -9.086 3.929 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.647 -7.351 5.577 1.00 0.00 C ATOM 876 CZ TYR A 57 -17.250 -7.969 4.501 1.00 0.00 C ATOM 877 OH TYR A 57 -18.428 -7.469 3.996 1.00 0.00 O ATOM 0 H TYR A 57 -15.745 -11.354 6.785 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.834 -11.255 7.125 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.039 -8.732 6.590 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.942 -9.855 5.249 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.051 -10.461 3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.994 -7.371 6.922 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.152 -9.568 3.087 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -17.097 -6.477 6.024 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.821 -6.844 4.640 1.00 0.00 H new ATOM 887 N GLU A 58 -13.177 -10.190 9.337 1.00 0.00 N ATOM 888 CA GLU A 58 -13.406 -9.716 10.697 1.00 0.00 C ATOM 889 C GLU A 58 -12.425 -8.603 11.058 1.00 0.00 C ATOM 890 O GLU A 58 -11.250 -8.859 11.317 1.00 0.00 O ATOM 891 CB GLU A 58 -13.272 -10.870 11.693 1.00 0.00 C ATOM 892 CG GLU A 58 -13.567 -10.472 13.129 1.00 0.00 C ATOM 893 CD GLU A 58 -13.986 -11.651 13.987 1.00 0.00 C ATOM 894 OE1 GLU A 58 -13.492 -12.771 13.737 1.00 0.00 O ATOM 895 OE2 GLU A 58 -14.807 -11.454 14.907 1.00 0.00 O ATOM 0 H GLU A 58 -12.229 -10.523 9.159 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.419 -9.316 10.749 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.950 -11.672 11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.260 -11.272 11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.681 -10.008 13.563 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.357 -9.721 13.139 1.00 0.00 H new ATOM 902 N GLN A 59 -12.918 -7.369 11.070 1.00 0.00 N ATOM 903 CA GLN A 59 -12.085 -6.218 11.397 1.00 0.00 C ATOM 904 C GLN A 59 -11.537 -6.328 12.816 1.00 0.00 C ATOM 905 O GLN A 59 -12.297 -6.380 13.783 1.00 0.00 O ATOM 906 CB GLN A 59 -12.886 -4.923 11.246 1.00 0.00 C ATOM 907 CG GLN A 59 -12.039 -3.728 10.842 1.00 0.00 C ATOM 908 CD GLN A 59 -12.590 -2.417 11.369 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.729 -2.351 11.832 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.782 -1.365 11.301 1.00 0.00 N ATOM 0 H GLN A 59 -13.889 -7.141 10.857 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.245 -6.201 10.703 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.667 -5.073 10.500 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.385 -4.702 12.190 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.023 -3.866 11.212 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.978 -3.681 9.755 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.846 -1.466 10.909 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.098 -0.457 11.640 1.00 0.00 H new ATOM 919 N ARG A 60 -10.214 -6.363 12.932 1.00 0.00 N ATOM 920 CA ARG A 60 -9.564 -6.468 14.233 1.00 0.00 C ATOM 921 C ARG A 60 -9.131 -5.095 14.738 1.00 0.00 C ATOM 922 O ARG A 60 -9.418 -4.723 15.875 1.00 0.00 O ATOM 923 CB ARG A 60 -8.351 -7.397 14.147 1.00 0.00 C ATOM 924 CG ARG A 60 -8.716 -8.855 13.919 1.00 0.00 C ATOM 925 CD ARG A 60 -9.318 -9.481 15.167 1.00 0.00 C ATOM 926 NE ARG A 60 -10.723 -9.119 15.338 1.00 0.00 N ATOM 927 CZ ARG A 60 -11.405 -9.329 16.458 1.00 0.00 C ATOM 928 NH1 ARG A 60 -10.814 -9.894 17.502 1.00 0.00 N ATOM 929 NH2 ARG A 60 -12.680 -8.971 16.537 1.00 0.00 N ATOM 0 H ARG A 60 -9.571 -6.320 12.141 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.284 -6.884 14.938 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.704 -7.062 13.336 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.775 -7.315 15.069 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.426 -8.929 13.095 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.827 -9.412 13.624 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.228 -10.566 15.108 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.752 -9.161 16.042 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.207 -8.681 14.554 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.833 -10.168 17.446 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.340 -10.054 18.361 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.138 -8.534 15.737 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.203 -9.133 17.398 1.00 0.00 H new ATOM 943 N GLU A 61 -8.439 -4.347 13.883 1.00 0.00 N ATOM 944 CA GLU A 61 -7.966 -3.016 14.244 1.00 0.00 C ATOM 945 C GLU A 61 -8.491 -1.969 13.266 1.00 0.00 C ATOM 946 O GLU A 61 -9.240 -2.287 12.343 1.00 0.00 O ATOM 947 CB GLU A 61 -6.436 -2.984 14.270 1.00 0.00 C ATOM 948 CG GLU A 61 -5.830 -3.779 15.414 1.00 0.00 C ATOM 949 CD GLU A 61 -4.364 -3.460 15.634 1.00 0.00 C ATOM 950 OE1 GLU A 61 -3.982 -2.284 15.464 1.00 0.00 O ATOM 951 OE2 GLU A 61 -3.599 -4.386 15.976 1.00 0.00 O ATOM 0 H GLU A 61 -8.194 -4.640 12.937 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.344 -2.781 15.239 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.057 -3.375 13.326 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.104 -1.948 14.342 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.384 -3.572 16.329 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.939 -4.844 15.209 1.00 0.00 H new ATOM 958 N ARG A 62 -8.092 -0.719 13.477 1.00 0.00 N ATOM 959 CA ARG A 62 -8.523 0.376 12.616 1.00 0.00 C ATOM 960 C ARG A 62 -8.256 0.052 11.150 1.00 0.00 C ATOM 961 O ARG A 62 -9.181 -0.018 10.340 1.00 0.00 O ATOM 962 CB ARG A 62 -7.805 1.670 13.003 1.00 0.00 C ATOM 963 CG ARG A 62 -7.953 2.780 11.974 1.00 0.00 C ATOM 964 CD ARG A 62 -7.863 4.154 12.620 1.00 0.00 C ATOM 965 NE ARG A 62 -9.126 4.555 13.232 1.00 0.00 N ATOM 966 CZ ARG A 62 -9.417 5.808 13.564 1.00 0.00 C ATOM 967 NH1 ARG A 62 -8.539 6.776 13.344 1.00 0.00 N ATOM 968 NH2 ARG A 62 -10.589 6.094 14.117 1.00 0.00 N ATOM 0 H ARG A 62 -7.471 -0.439 14.236 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.596 0.510 12.751 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.193 2.019 13.960 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.745 1.459 13.147 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.176 2.681 11.216 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.911 2.679 11.463 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.079 4.148 13.377 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.575 4.889 11.869 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.823 3.834 13.415 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.637 6.560 12.919 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.765 7.737 13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.267 5.351 14.287 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.812 7.056 14.372 1.00 0.00 H new ATOM 982 N PHE A 63 -6.985 -0.144 10.814 1.00 0.00 N ATOM 983 CA PHE A 63 -6.595 -0.459 9.445 1.00 0.00 C ATOM 984 C PHE A 63 -6.187 -1.924 9.319 1.00 0.00 C ATOM 985 O PHE A 63 -5.114 -2.239 8.803 1.00 0.00 O ATOM 986 CB PHE A 63 -5.443 0.444 8.999 1.00 0.00 C ATOM 987 CG PHE A 63 -5.875 1.839 8.650 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.600 2.085 7.495 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.557 2.904 9.476 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.998 3.368 7.171 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.952 4.190 9.157 1.00 0.00 C ATOM 992 CZ PHE A 63 -6.675 4.422 8.003 1.00 0.00 C ATOM 0 H PHE A 63 -6.207 -0.090 11.472 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.455 -0.283 8.799 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.700 0.491 9.795 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.955 -0.004 8.133 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.857 1.265 6.841 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.994 2.728 10.380 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.562 3.547 6.267 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.696 5.012 9.809 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.987 5.425 7.752 1.00 0.00 H new ATOM 1002 N LEU A 64 -7.049 -2.815 9.795 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.780 -4.248 9.737 1.00 0.00 C ATOM 1004 C LEU A 64 -8.072 -5.038 9.556 1.00 0.00 C ATOM 1005 O LEU A 64 -9.120 -4.663 10.083 1.00 0.00 O ATOM 1006 CB LEU A 64 -6.063 -4.703 11.009 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.633 -6.170 11.048 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -4.635 -6.464 9.938 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.040 -6.516 12.406 1.00 0.00 C ATOM 0 H LEU A 64 -7.941 -2.571 10.226 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.137 -4.438 8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.178 -4.082 11.145 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.719 -4.514 11.859 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.515 -6.791 10.890 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.341 -7.513 9.982 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.094 -6.256 8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.754 -5.834 10.064 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.740 -7.564 12.416 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.170 -5.887 12.594 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.785 -6.345 13.183 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.989 -6.135 8.811 1.00 0.00 N ATOM 1022 CA LEU A 65 -9.151 -6.981 8.563 1.00 0.00 C ATOM 1023 C LEU A 65 -8.744 -8.447 8.454 1.00 0.00 C ATOM 1024 O LEU A 65 -7.861 -8.800 7.673 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.863 -6.540 7.283 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.955 -5.483 7.451 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -11.143 -4.700 6.162 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.263 -6.132 7.879 1.00 0.00 C ATOM 0 H LEU A 65 -7.129 -6.459 8.368 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.834 -6.875 9.406 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.115 -6.154 6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.306 -7.420 6.816 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.645 -4.788 8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.924 -3.953 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.209 -4.204 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.431 -5.381 5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -13.029 -5.365 7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.578 -6.849 7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.120 -6.647 8.829 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.396 -9.296 9.241 1.00 0.00 N ATOM 1041 CA PHE A 66 -9.103 -10.725 9.232 1.00 0.00 C ATOM 1042 C PHE A 66 -9.847 -11.426 8.098 1.00 0.00 C ATOM 1043 O PHE A 66 -11.021 -11.773 8.233 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.485 -11.354 10.573 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.887 -12.715 10.789 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -9.183 -13.760 9.929 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -8.030 -12.949 11.852 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -8.635 -15.014 10.125 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -7.478 -14.200 12.052 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.782 -15.234 11.188 1.00 0.00 C ATOM 0 H PHE A 66 -10.130 -9.020 9.893 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.032 -10.850 9.072 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.166 -10.694 11.379 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.571 -11.429 10.634 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.850 -13.593 9.096 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.791 -12.145 12.532 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.874 -15.820 9.447 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.809 -14.369 12.883 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.353 -16.213 11.344 1.00 0.00 H new ATOM 1060 N CYS A 67 -9.156 -11.629 6.982 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.750 -12.287 5.824 1.00 0.00 C ATOM 1062 C CYS A 67 -9.598 -13.801 5.921 1.00 0.00 C ATOM 1063 O CYS A 67 -8.576 -14.304 6.389 1.00 0.00 O ATOM 1064 CB CYS A 67 -9.104 -11.778 4.535 1.00 0.00 C ATOM 1065 SG CYS A 67 -9.052 -9.976 4.396 1.00 0.00 S ATOM 0 H CYS A 67 -8.184 -11.347 6.854 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.813 -12.048 5.807 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.087 -12.166 4.473 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.651 -12.182 3.683 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.422 -9.643 3.309 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.621 -14.524 5.476 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.601 -15.981 5.513 1.00 0.00 C ATOM 1073 C VAL A 68 -11.401 -16.571 4.357 1.00 0.00 C ATOM 1074 O VAL A 68 -12.506 -16.118 4.056 1.00 0.00 O ATOM 1075 CB VAL A 68 -11.169 -16.517 6.841 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.547 -15.931 7.107 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -11.221 -18.037 6.823 1.00 0.00 C ATOM 0 H VAL A 68 -11.474 -14.124 5.086 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.558 -16.285 5.423 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.507 -16.209 7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.932 -16.321 8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.475 -14.845 7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.222 -16.207 6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.625 -18.398 7.769 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.860 -18.370 6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.216 -18.434 6.682 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.835 -17.585 3.710 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.495 -18.239 2.586 1.00 0.00 C ATOM 1089 C HIS A 69 -11.921 -19.657 2.956 1.00 0.00 C ATOM 1090 O HIS A 69 -11.096 -20.481 3.349 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.567 -18.273 1.371 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.053 -19.165 0.271 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -10.313 -20.215 -0.230 1.00 0.00 N ATOM 1094 CD2 HIS A 69 -12.215 -19.161 -0.425 1.00 0.00 C ATOM 1095 CE1 HIS A 69 -10.996 -20.816 -1.187 1.00 0.00 C ATOM 1096 NE2 HIS A 69 -12.154 -20.196 -1.325 1.00 0.00 N ATOM 0 H HIS A 69 -9.921 -17.971 3.945 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.387 -17.664 2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.453 -17.261 0.983 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.579 -18.606 1.688 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -13.037 -18.472 -0.296 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.664 -21.669 -1.760 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -12.884 -20.446 -1.992 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.215 -19.933 2.827 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.728 -21.251 3.153 1.00 0.00 C ATOM 1107 C GLY A 70 -14.347 -21.945 1.956 1.00 0.00 C ATOM 1108 O GLY A 70 -15.409 -21.545 1.478 1.00 0.00 O ATOM 0 H GLY A 70 -13.917 -19.268 2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.918 -21.865 3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.474 -21.162 3.943 1.00 0.00 H new ATOM 1112 N ASP A 71 -13.681 -22.986 1.468 1.00 0.00 N ATOM 1113 CA ASP A 71 -14.172 -23.737 0.318 1.00 0.00 C ATOM 1114 C ASP A 71 -15.106 -24.859 0.760 1.00 0.00 C ATOM 1115 O ASP A 71 -16.114 -25.134 0.111 1.00 0.00 O ATOM 1116 CB ASP A 71 -13.001 -24.315 -0.478 1.00 0.00 C ATOM 1117 CG ASP A 71 -13.451 -25.011 -1.747 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -14.605 -25.488 -1.784 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -12.650 -25.080 -2.703 1.00 0.00 O ATOM 0 H ASP A 71 -12.800 -23.329 1.851 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.732 -23.053 -0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.308 -23.513 -0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.455 -25.022 0.146 1.00 0.00 H new ATOM 1124 N GLY A 72 -14.763 -25.506 1.870 1.00 0.00 N ATOM 1125 CA GLY A 72 -15.580 -26.592 2.379 1.00 0.00 C ATOM 1126 C GLY A 72 -15.255 -26.936 3.819 1.00 0.00 C ATOM 1127 O GLY A 72 -16.147 -27.000 4.666 1.00 0.00 O ATOM 0 H GLY A 72 -13.934 -25.297 2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.632 -26.318 2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.435 -27.475 1.756 1.00 0.00 H new ATOM 1131 N HIS A 73 -13.975 -27.159 4.099 1.00 0.00 N ATOM 1132 CA HIS A 73 -13.535 -27.500 5.447 1.00 0.00 C ATOM 1133 C HIS A 73 -12.237 -26.777 5.794 1.00 0.00 C ATOM 1134 O HIS A 73 -11.724 -25.988 5.001 1.00 0.00 O ATOM 1135 CB HIS A 73 -13.341 -29.011 5.577 1.00 0.00 C ATOM 1136 CG HIS A 73 -14.577 -29.738 6.011 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -14.749 -30.234 7.286 1.00 0.00 N ATOM 1138 CD2 HIS A 73 -15.705 -30.050 5.331 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -15.929 -30.822 7.371 1.00 0.00 C ATOM 1140 NE2 HIS A 73 -16.530 -30.724 6.199 1.00 0.00 N ATOM 0 H HIS A 73 -13.224 -27.110 3.410 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.307 -27.179 6.146 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -13.012 -29.411 4.618 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.544 -29.206 6.294 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.917 -29.813 4.299 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -16.334 -31.302 8.250 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -17.456 -31.089 5.975 1.00 0.00 H new ATOM 1149 N ALA A 74 -11.712 -27.052 6.983 1.00 0.00 N ATOM 1150 CA ALA A 74 -10.473 -26.429 7.434 1.00 0.00 C ATOM 1151 C ALA A 74 -9.334 -26.705 6.459 1.00 0.00 C ATOM 1152 O ALA A 74 -8.561 -25.808 6.124 1.00 0.00 O ATOM 1153 CB ALA A 74 -10.110 -26.923 8.827 1.00 0.00 C ATOM 0 H ALA A 74 -12.125 -27.702 7.652 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.630 -25.351 7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.183 -26.450 9.151 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.910 -26.669 9.523 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.977 -28.005 8.806 1.00 0.00 H new ATOM 1159 N GLU A 75 -9.235 -27.952 6.008 1.00 0.00 N ATOM 1160 CA GLU A 75 -8.188 -28.345 5.073 1.00 0.00 C ATOM 1161 C GLU A 75 -8.041 -27.315 3.957 1.00 0.00 C ATOM 1162 O GLU A 75 -6.932 -26.898 3.625 1.00 0.00 O ATOM 1163 CB GLU A 75 -8.497 -29.719 4.475 1.00 0.00 C ATOM 1164 CG GLU A 75 -8.430 -30.851 5.486 1.00 0.00 C ATOM 1165 CD GLU A 75 -8.790 -32.195 4.882 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -9.851 -32.287 4.230 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -8.011 -33.154 5.062 1.00 0.00 O ATOM 0 H GLU A 75 -9.867 -28.707 6.275 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.248 -28.398 5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.492 -29.697 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.793 -29.922 3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.424 -30.902 5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.107 -30.635 6.313 1.00 0.00 H new ATOM 1174 N ASN A 76 -9.168 -26.909 3.381 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.165 -25.929 2.301 1.00 0.00 C ATOM 1176 C ASN A 76 -9.269 -24.510 2.854 1.00 0.00 C ATOM 1177 O ASN A 76 -8.954 -23.539 2.165 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.322 -26.198 1.337 1.00 0.00 C ATOM 1179 CG ASN A 76 -10.292 -27.607 0.777 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -9.243 -28.099 0.361 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -11.446 -28.263 0.763 1.00 0.00 N ATOM 0 H ASN A 76 -10.095 -27.244 3.644 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.222 -26.022 1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.268 -26.036 1.854 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.281 -25.483 0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.488 -29.214 0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.291 -27.816 1.118 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.712 -24.399 4.102 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.857 -23.099 4.749 1.00 0.00 C ATOM 1190 C LEU A 77 -8.504 -22.412 4.899 1.00 0.00 C ATOM 1191 O LEU A 77 -7.500 -23.054 5.207 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.514 -23.261 6.120 1.00 0.00 C ATOM 1193 CG LEU A 77 -11.037 -21.979 6.770 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.305 -21.508 6.075 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -11.290 -22.198 8.254 1.00 0.00 C ATOM 0 H LEU A 77 -9.977 -25.193 4.686 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.492 -22.476 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.345 -23.960 6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.791 -23.718 6.795 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.278 -21.204 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.663 -20.595 6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.092 -21.310 5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.070 -22.281 6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.662 -21.275 8.700 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.030 -22.988 8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.360 -22.488 8.743 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.484 -21.101 4.681 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.255 -20.325 4.795 1.00 0.00 C ATOM 1209 C VAL A 78 -7.511 -18.988 5.482 1.00 0.00 C ATOM 1210 O VAL A 78 -8.224 -18.135 4.955 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.624 -20.067 3.414 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.428 -19.136 3.539 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.223 -21.379 2.758 1.00 0.00 C ATOM 0 H VAL A 78 -9.306 -20.554 4.424 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.564 -20.914 5.398 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.366 -19.582 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.995 -18.965 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.750 -18.185 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.680 -19.589 4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.779 -21.178 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.498 -21.894 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.105 -22.007 2.632 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.924 -18.814 6.662 1.00 0.00 N ATOM 1224 CA GLN A 79 -7.089 -17.580 7.422 1.00 0.00 C ATOM 1225 C GLN A 79 -5.862 -16.685 7.280 1.00 0.00 C ATOM 1226 O GLN A 79 -4.733 -17.125 7.495 1.00 0.00 O ATOM 1227 CB GLN A 79 -7.337 -17.895 8.898 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.707 -18.495 9.170 1.00 0.00 C ATOM 1229 CD GLN A 79 -8.805 -19.127 10.544 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -8.721 -18.440 11.563 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -8.983 -20.442 10.581 1.00 0.00 N ATOM 0 H GLN A 79 -6.331 -19.511 7.112 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.952 -17.048 7.021 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.571 -18.587 9.247 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.228 -16.980 9.480 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.465 -17.717 9.077 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.927 -19.247 8.412 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.047 -20.973 9.712 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.056 -20.922 11.478 1.00 0.00 H new ATOM 1240 N TRP A 80 -6.092 -15.429 6.916 1.00 0.00 N ATOM 1241 CA TRP A 80 -5.004 -14.472 6.744 1.00 0.00 C ATOM 1242 C TRP A 80 -5.466 -13.057 7.077 1.00 0.00 C ATOM 1243 O TRP A 80 -6.613 -12.693 6.817 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.472 -14.525 5.311 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.396 -13.900 4.311 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.381 -12.605 3.878 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.473 -14.543 3.621 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.383 -12.404 2.960 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -7.067 -13.577 2.784 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -6.993 -15.840 3.626 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -8.154 -13.871 1.964 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -8.071 -16.129 2.812 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.642 -15.149 1.990 1.00 0.00 C ATOM 0 H TRP A 80 -7.021 -15.049 6.734 1.00 0.00 H new ATOM 0 HA TRP A 80 -4.203 -14.743 7.431 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.508 -14.018 5.270 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.298 -15.565 5.034 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.684 -11.850 4.209 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.585 -11.524 2.486 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.560 -16.603 4.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.596 -13.117 1.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.481 -17.128 2.809 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.484 -15.407 1.365 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.567 -12.265 7.651 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.885 -10.890 8.019 1.00 0.00 C ATOM 1266 C GLU A 81 -4.353 -9.911 6.976 1.00 0.00 C ATOM 1267 O GLU A 81 -3.152 -9.861 6.712 1.00 0.00 O ATOM 1268 CB GLU A 81 -4.299 -10.557 9.392 1.00 0.00 C ATOM 1269 CG GLU A 81 -5.161 -11.027 10.552 1.00 0.00 C ATOM 1270 CD GLU A 81 -4.775 -10.377 11.867 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -3.564 -10.317 12.164 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -5.683 -9.930 12.597 1.00 0.00 O ATOM 0 H GLU A 81 -3.613 -12.551 7.871 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.970 -10.795 8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.312 -11.012 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.161 -9.478 9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.206 -10.807 10.335 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.076 -12.109 10.647 1.00 0.00 H new ATOM 1279 N MET A 82 -5.256 -9.136 6.386 1.00 0.00 N ATOM 1280 CA MET A 82 -4.878 -8.158 5.372 1.00 0.00 C ATOM 1281 C MET A 82 -4.676 -6.780 5.995 1.00 0.00 C ATOM 1282 O MET A 82 -5.638 -6.050 6.232 1.00 0.00 O ATOM 1283 CB MET A 82 -5.946 -8.085 4.279 1.00 0.00 C ATOM 1284 CG MET A 82 -5.967 -9.302 3.368 1.00 0.00 C ATOM 1285 SD MET A 82 -6.969 -9.046 1.891 1.00 0.00 S ATOM 1286 CE MET A 82 -5.964 -7.860 1.001 1.00 0.00 C ATOM 0 H MET A 82 -6.255 -9.166 6.592 1.00 0.00 H new ATOM 0 HA MET A 82 -3.936 -8.478 4.928 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.925 -7.974 4.746 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.777 -7.193 3.676 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.947 -9.547 3.072 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.353 -10.158 3.921 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.461 -7.588 0.070 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.826 -6.968 1.613 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.992 -8.301 0.778 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.420 -6.432 6.257 1.00 0.00 N ATOM 1297 CA GLU A 83 -3.095 -5.141 6.853 1.00 0.00 C ATOM 1298 C GLU A 83 -2.610 -4.158 5.791 1.00 0.00 C ATOM 1299 O GLU A 83 -1.763 -4.491 4.962 1.00 0.00 O ATOM 1300 CB GLU A 83 -2.025 -5.310 7.934 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.787 -4.054 8.755 1.00 0.00 C ATOM 1302 CD GLU A 83 -1.155 -4.348 10.102 1.00 0.00 C ATOM 1303 OE1 GLU A 83 -0.106 -5.025 10.130 1.00 0.00 O ATOM 1304 OE2 GLU A 83 -1.709 -3.901 11.127 1.00 0.00 O ATOM 0 H GLU A 83 -2.612 -7.025 6.066 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.001 -4.740 7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.319 -6.120 8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.089 -5.609 7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.142 -3.376 8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.736 -3.539 8.908 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.154 -2.946 5.823 1.00 0.00 N ATOM 1312 CA VAL A 84 -2.777 -1.914 4.864 1.00 0.00 C ATOM 1313 C VAL A 84 -1.650 -1.043 5.409 1.00 0.00 C ATOM 1314 O VAL A 84 -1.835 -0.305 6.377 1.00 0.00 O ATOM 1315 CB VAL A 84 -3.976 -1.016 4.506 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -3.576 0.022 3.469 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.141 -1.858 4.006 1.00 0.00 C ATOM 0 H VAL A 84 -3.857 -2.654 6.502 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.435 -2.427 3.965 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.295 -0.491 5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.436 0.647 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.775 0.645 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.229 -0.481 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.980 -1.208 3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.835 -2.411 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.444 -2.559 4.784 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.483 -1.135 4.781 1.00 0.00 N ATOM 1328 CA CYS A 85 0.675 -0.355 5.202 1.00 0.00 C ATOM 1329 C CYS A 85 1.127 0.591 4.094 1.00 0.00 C ATOM 1330 O CYS A 85 1.061 0.255 2.911 1.00 0.00 O ATOM 1331 CB CYS A 85 1.825 -1.284 5.596 1.00 0.00 C ATOM 1332 SG CYS A 85 2.290 -2.469 4.312 1.00 0.00 S ATOM 0 H CYS A 85 -0.314 -1.742 3.979 1.00 0.00 H new ATOM 0 HA CYS A 85 0.385 0.241 6.067 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.696 -0.679 5.850 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.544 -1.831 6.496 1.00 0.00 H new ATOM 0 HG CYS A 85 3.271 -3.208 4.738 1.00 0.00 H new ATOM 1466 N ASN A 93 0.530 2.192 -0.833 1.00 0.00 N ATOM 1467 CA ASN A 93 0.255 1.260 0.255 1.00 0.00 C ATOM 1468 C ASN A 93 0.014 -0.148 -0.284 1.00 0.00 C ATOM 1469 O ASN A 93 -1.106 -0.499 -0.652 1.00 0.00 O ATOM 1470 CB ASN A 93 -0.960 1.725 1.059 1.00 0.00 C ATOM 1471 CG ASN A 93 -2.255 1.590 0.282 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -3.096 0.748 0.598 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -2.420 2.419 -0.742 1.00 0.00 N ATOM 0 HA ASN A 93 1.127 1.236 0.909 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.029 1.142 1.978 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.822 2.766 1.351 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.271 2.374 -1.303 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.696 3.101 -0.968 1.00 0.00 H new ATOM 1480 N GLY A 94 1.074 -0.949 -0.325 1.00 0.00 N ATOM 1481 CA GLY A 94 0.957 -2.309 -0.818 1.00 0.00 C ATOM 1482 C GLY A 94 0.154 -3.197 0.112 1.00 0.00 C ATOM 1483 O GLY A 94 -0.113 -2.829 1.256 1.00 0.00 O ATOM 0 H GLY A 94 2.011 -0.681 -0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.485 -2.296 -1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.953 -2.732 -0.948 1.00 0.00 H new ATOM 1487 N VAL A 95 -0.234 -4.369 -0.379 1.00 0.00 N ATOM 1488 CA VAL A 95 -1.011 -5.312 0.416 1.00 0.00 C ATOM 1489 C VAL A 95 -0.180 -6.535 0.787 1.00 0.00 C ATOM 1490 O VAL A 95 0.172 -7.343 -0.072 1.00 0.00 O ATOM 1491 CB VAL A 95 -2.274 -5.772 -0.336 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -3.252 -6.438 0.620 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.928 -4.598 -1.048 1.00 0.00 C ATOM 0 H VAL A 95 -0.023 -4.689 -1.324 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.308 -4.790 1.325 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.981 -6.505 -1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.138 -6.756 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.778 -7.306 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.541 -5.730 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.819 -4.942 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.208 -3.840 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.226 -4.170 -1.764 1.00 0.00 H new ATOM 1503 N ARG A 96 0.131 -6.664 2.073 1.00 0.00 N ATOM 1504 CA ARG A 96 0.922 -7.788 2.558 1.00 0.00 C ATOM 1505 C ARG A 96 0.022 -8.881 3.127 1.00 0.00 C ATOM 1506 O ARG A 96 -0.827 -8.620 3.979 1.00 0.00 O ATOM 1507 CB ARG A 96 1.911 -7.320 3.627 1.00 0.00 C ATOM 1508 CG ARG A 96 3.111 -8.238 3.791 1.00 0.00 C ATOM 1509 CD ARG A 96 4.207 -7.581 4.616 1.00 0.00 C ATOM 1510 NE ARG A 96 4.776 -6.417 3.943 1.00 0.00 N ATOM 1511 CZ ARG A 96 5.971 -5.913 4.231 1.00 0.00 C ATOM 1512 NH1 ARG A 96 6.719 -6.469 5.174 1.00 0.00 N ATOM 1513 NH2 ARG A 96 6.421 -4.851 3.574 1.00 0.00 N ATOM 0 H ARG A 96 -0.153 -6.004 2.797 1.00 0.00 H new ATOM 0 HA ARG A 96 1.477 -8.200 1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.262 -6.320 3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.391 -7.242 4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.798 -9.165 4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.503 -8.505 2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.802 -7.279 5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.996 -8.307 4.814 1.00 0.00 H new ATOM 0 HE ARG A 96 4.226 -5.966 3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.377 -7.286 5.680 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.636 -6.080 5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.849 -4.421 2.847 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.339 -4.465 3.796 1.00 0.00 H new ATOM 1527 N PHE A 97 0.213 -10.106 2.649 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.582 -11.239 3.108 1.00 0.00 C ATOM 1529 C PHE A 97 0.161 -12.024 4.186 1.00 0.00 C ATOM 1530 O PHE A 97 1.382 -12.172 4.132 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.923 -12.159 1.935 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.797 -11.512 0.899 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.365 -10.387 0.214 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -3.051 -12.027 0.611 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.167 -9.789 -0.740 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.856 -11.433 -0.342 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.415 -10.312 -1.017 1.00 0.00 C ATOM 0 H PHE A 97 0.912 -10.340 1.944 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.506 -10.852 3.537 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.002 -12.490 1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.423 -13.050 2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.391 -9.973 0.428 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.403 -12.902 1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.818 -8.914 -1.268 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.830 -11.846 -0.559 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.045 -9.845 -1.760 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.585 -12.524 5.165 1.00 0.00 N ATOM 1548 CA LYS A 98 0.000 -13.295 6.256 1.00 0.00 C ATOM 1549 C LYS A 98 -0.828 -14.542 6.546 1.00 0.00 C ATOM 1550 O LYS A 98 -1.981 -14.449 6.967 1.00 0.00 O ATOM 1551 CB LYS A 98 0.104 -12.434 7.517 1.00 0.00 C ATOM 1552 CG LYS A 98 0.856 -13.107 8.652 1.00 0.00 C ATOM 1553 CD LYS A 98 0.781 -12.291 9.932 1.00 0.00 C ATOM 1554 CE LYS A 98 0.840 -13.180 11.164 1.00 0.00 C ATOM 1555 NZ LYS A 98 1.351 -12.445 12.354 1.00 0.00 N ATOM 0 H LYS A 98 -1.597 -12.409 5.225 1.00 0.00 H new ATOM 0 HA LYS A 98 0.999 -13.607 5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.602 -11.497 7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.900 -12.180 7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.440 -14.099 8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.899 -13.244 8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.604 -11.577 9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.143 -11.713 9.943 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.155 -13.571 11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.483 -14.037 10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.376 -13.085 13.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.310 -12.094 12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.724 -11.642 12.562 1.00 0.00 H new ATOM 1569 N ARG A 99 -0.232 -15.708 6.319 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.915 -16.974 6.556 1.00 0.00 C ATOM 1571 C ARG A 99 -1.009 -17.270 8.050 1.00 0.00 C ATOM 1572 O ARG A 99 0.008 -17.413 8.730 1.00 0.00 O ATOM 1573 CB ARG A 99 -0.184 -18.114 5.845 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.720 -19.493 6.193 1.00 0.00 C ATOM 1575 CD ARG A 99 0.219 -20.592 5.721 1.00 0.00 C ATOM 1576 NE ARG A 99 1.439 -20.649 6.521 1.00 0.00 N ATOM 1577 CZ ARG A 99 2.251 -21.701 6.549 1.00 0.00 C ATOM 1578 NH1 ARG A 99 1.973 -22.776 5.825 1.00 0.00 N ATOM 1579 NH2 ARG A 99 3.343 -21.677 7.302 1.00 0.00 N ATOM 0 H ARG A 99 0.722 -15.802 5.971 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.925 -16.893 6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.259 -17.966 4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.875 -18.070 6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.858 -19.569 7.272 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.700 -19.629 5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.293 -21.553 5.771 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.478 -20.423 4.676 1.00 0.00 H new ATOM 0 HE ARG A 99 1.681 -19.837 7.089 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.134 -22.797 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.598 -23.582 5.848 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.560 -20.851 7.860 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.966 -22.485 7.323 1.00 0.00 H new ATOM 1593 N ILE A 100 -2.235 -17.358 8.555 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.461 -17.636 9.967 1.00 0.00 C ATOM 1595 C ILE A 100 -2.708 -19.123 10.202 1.00 0.00 C ATOM 1596 O ILE A 100 -2.025 -19.756 11.007 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.659 -16.836 10.514 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.396 -15.334 10.389 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -3.930 -17.213 11.963 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.448 -14.479 11.060 1.00 0.00 C ATOM 0 H ILE A 100 -3.087 -17.241 8.007 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.558 -17.331 10.497 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.542 -17.082 9.924 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.423 -15.106 10.824 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.343 -15.069 9.333 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.779 -16.640 12.335 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.155 -18.278 12.026 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.050 -16.992 12.567 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.197 -13.426 10.931 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.420 -14.678 10.610 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.485 -14.716 12.123 1.00 0.00 H new ATOM 1612 N SER A 101 -3.687 -19.674 9.492 1.00 0.00 N ATOM 1613 CA SER A 101 -4.025 -21.086 9.624 1.00 0.00 C ATOM 1614 C SER A 101 -4.029 -21.774 8.262 1.00 0.00 C ATOM 1615 O SER A 101 -3.882 -22.992 8.169 1.00 0.00 O ATOM 1616 CB SER A 101 -5.393 -21.245 10.292 1.00 0.00 C ATOM 1617 OG SER A 101 -5.496 -20.425 11.443 1.00 0.00 O ATOM 0 H SER A 101 -4.260 -19.164 8.820 1.00 0.00 H new ATOM 0 HA SER A 101 -3.266 -21.558 10.248 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.180 -20.984 9.584 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.547 -22.288 10.569 1.00 0.00 H new ATOM 0 HG SER A 101 -6.379 -20.543 11.851 1.00 0.00 H new ATOM 1623 N GLY A 102 -4.198 -20.983 7.207 1.00 0.00 N ATOM 1624 CA GLY A 102 -4.218 -21.532 5.864 1.00 0.00 C ATOM 1625 C GLY A 102 -2.935 -22.259 5.516 1.00 0.00 C ATOM 1626 O GLY A 102 -2.131 -22.572 6.395 1.00 0.00 O ATOM 0 H GLY A 102 -4.321 -19.972 7.258 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.059 -22.219 5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.381 -20.727 5.148 1.00 0.00 H new ATOM 1630 N THR A 103 -2.741 -22.532 4.229 1.00 0.00 N ATOM 1631 CA THR A 103 -1.548 -23.230 3.767 1.00 0.00 C ATOM 1632 C THR A 103 -0.911 -22.506 2.586 1.00 0.00 C ATOM 1633 O THR A 103 -1.608 -21.979 1.719 1.00 0.00 O ATOM 1634 CB THR A 103 -1.870 -24.678 3.353 1.00 0.00 C ATOM 1635 OG1 THR A 103 -2.808 -24.682 2.271 1.00 0.00 O ATOM 1636 CG2 THR A 103 -2.438 -25.462 4.527 1.00 0.00 C ATOM 0 H THR A 103 -3.395 -22.280 3.488 1.00 0.00 H new ATOM 0 HA THR A 103 -0.847 -23.246 4.602 1.00 0.00 H new ATOM 0 HB THR A 103 -0.944 -25.155 3.031 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.006 -25.606 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.658 -26.482 4.211 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.709 -25.482 5.338 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.354 -24.984 4.874 1.00 0.00 H new ATOM 1644 N SER A 104 0.418 -22.485 2.559 1.00 0.00 N ATOM 1645 CA SER A 104 1.150 -21.823 1.485 1.00 0.00 C ATOM 1646 C SER A 104 0.430 -21.994 0.151 1.00 0.00 C ATOM 1647 O SER A 104 0.071 -21.014 -0.503 1.00 0.00 O ATOM 1648 CB SER A 104 2.570 -22.383 1.386 1.00 0.00 C ATOM 1649 OG SER A 104 2.583 -23.782 1.609 1.00 0.00 O ATOM 0 H SER A 104 1.009 -22.918 3.268 1.00 0.00 H new ATOM 0 HA SER A 104 1.202 -20.759 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.982 -22.165 0.401 1.00 0.00 H new ATOM 0 HB3 SER A 104 3.211 -21.889 2.116 1.00 0.00 H new ATOM 0 HG SER A 104 3.502 -24.116 1.539 1.00 0.00 H new ATOM 1655 N ILE A 105 0.222 -23.245 -0.246 1.00 0.00 N ATOM 1656 CA ILE A 105 -0.456 -23.545 -1.501 1.00 0.00 C ATOM 1657 C ILE A 105 -1.745 -22.742 -1.635 1.00 0.00 C ATOM 1658 O ILE A 105 -1.837 -21.827 -2.453 1.00 0.00 O ATOM 1659 CB ILE A 105 -0.784 -25.045 -1.619 1.00 0.00 C ATOM 1660 CG1 ILE A 105 0.499 -25.855 -1.817 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -1.752 -25.287 -2.767 1.00 0.00 C ATOM 1662 CD1 ILE A 105 1.428 -25.272 -2.859 1.00 0.00 C ATOM 0 H ILE A 105 0.513 -24.067 0.283 1.00 0.00 H new ATOM 0 HA ILE A 105 0.227 -23.267 -2.303 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.259 -25.372 -0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.028 -25.920 -0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 105 0.236 -26.873 -2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.974 -26.352 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.675 -24.735 -2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.302 -24.948 -3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.316 -25.898 -2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.917 -25.232 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.722 -24.265 -2.562 1.00 0.00 H new ATOM 1674 N ALA A 106 -2.740 -23.090 -0.825 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.023 -22.400 -0.850 1.00 0.00 C ATOM 1676 C ALA A 106 -3.868 -20.937 -0.447 1.00 0.00 C ATOM 1677 O ALA A 106 -4.807 -20.149 -0.556 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.017 -23.099 0.066 1.00 0.00 C ATOM 0 H ALA A 106 -2.681 -23.846 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.403 -22.430 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.971 -22.572 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.160 -24.127 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.634 -23.099 1.086 1.00 0.00 H new ATOM 1684 N PHE A 107 -2.676 -20.581 0.021 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.398 -19.213 0.442 1.00 0.00 C ATOM 1686 C PHE A 107 -1.977 -18.352 -0.746 1.00 0.00 C ATOM 1687 O PHE A 107 -2.335 -17.178 -0.835 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.303 -19.198 1.510 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.049 -17.836 2.091 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -1.915 -17.296 3.029 1.00 0.00 C ATOM 1691 CD2 PHE A 107 0.054 -17.095 1.698 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.684 -16.043 3.565 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.289 -15.842 2.231 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.581 -15.315 3.165 1.00 0.00 C ATOM 0 H PHE A 107 -1.888 -21.221 0.118 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.313 -18.797 0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.581 -19.880 2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.378 -19.577 1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.780 -17.861 3.345 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.737 -17.501 0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.366 -15.634 4.296 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.153 -15.275 1.917 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.399 -14.335 3.582 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.213 -18.946 -1.657 1.00 0.00 N ATOM 1705 CA LYS A 108 -0.743 -18.236 -2.841 1.00 0.00 C ATOM 1706 C LYS A 108 -1.731 -18.386 -3.993 1.00 0.00 C ATOM 1707 O LYS A 108 -2.012 -17.426 -4.711 1.00 0.00 O ATOM 1708 CB LYS A 108 0.632 -18.761 -3.262 1.00 0.00 C ATOM 1709 CG LYS A 108 1.636 -18.819 -2.124 1.00 0.00 C ATOM 1710 CD LYS A 108 2.619 -19.963 -2.306 1.00 0.00 C ATOM 1711 CE LYS A 108 3.554 -19.713 -3.479 1.00 0.00 C ATOM 1712 NZ LYS A 108 2.974 -20.195 -4.763 1.00 0.00 N ATOM 0 H LYS A 108 -0.906 -19.917 -1.598 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.661 -17.178 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.517 -19.759 -3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.028 -18.124 -4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.180 -17.876 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.108 -18.938 -1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.203 -20.091 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.072 -20.892 -2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.766 -18.646 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.505 -20.215 -3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.742 -20.454 -5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.377 -21.027 -4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.398 -19.441 -5.188 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.256 -19.594 -4.164 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.214 -19.869 -5.229 1.00 0.00 C ATOM 1728 C ASN A 109 -4.415 -18.932 -5.134 1.00 0.00 C ATOM 1729 O ASN A 109 -5.030 -18.592 -6.145 1.00 0.00 O ATOM 1730 CB ASN A 109 -3.681 -21.324 -5.161 1.00 0.00 C ATOM 1731 CG ASN A 109 -2.690 -22.279 -5.797 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -2.711 -22.499 -7.008 1.00 0.00 O ATOM 1733 ND2 ASN A 109 -1.814 -22.854 -4.980 1.00 0.00 N ATOM 0 H ASN A 109 -2.034 -20.399 -3.578 1.00 0.00 H new ATOM 0 HA ASN A 109 -2.717 -19.699 -6.184 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -3.835 -21.605 -4.119 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -4.644 -21.417 -5.662 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.123 -23.507 -5.351 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.832 -22.643 -3.982 1.00 0.00 H new ATOM 1740 N ILE A 110 -4.742 -18.520 -3.914 1.00 0.00 N ATOM 1741 CA ILE A 110 -5.868 -17.622 -3.688 1.00 0.00 C ATOM 1742 C ILE A 110 -5.420 -16.165 -3.702 1.00 0.00 C ATOM 1743 O ILE A 110 -6.105 -15.299 -4.246 1.00 0.00 O ATOM 1744 CB ILE A 110 -6.566 -17.920 -2.348 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -7.830 -17.071 -2.207 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -5.616 -17.664 -1.188 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -8.939 -17.475 -3.154 1.00 0.00 C ATOM 0 H ILE A 110 -4.244 -18.793 -3.067 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.574 -17.791 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 110 -6.854 -18.971 -2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.194 -17.144 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.577 -16.025 -2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.124 -17.879 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.742 -18.308 -1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.300 -16.621 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -9.804 -16.830 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.593 -17.375 -4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.220 -18.511 -2.964 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.264 -15.901 -3.102 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.722 -14.549 -3.048 1.00 0.00 C ATOM 1761 C ALA A 111 -3.551 -13.970 -4.449 1.00 0.00 C ATOM 1762 O ALA A 111 -3.626 -12.757 -4.642 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.394 -14.542 -2.307 1.00 0.00 C ATOM 0 H ALA A 111 -3.685 -16.606 -2.646 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.430 -13.921 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.001 -13.526 -2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.543 -14.906 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.685 -15.189 -2.824 1.00 0.00 H new ATOM 1769 N SER A 112 -3.321 -14.845 -5.422 1.00 0.00 N ATOM 1770 CA SER A 112 -3.135 -14.420 -6.804 1.00 0.00 C ATOM 1771 C SER A 112 -4.422 -13.825 -7.367 1.00 0.00 C ATOM 1772 O SER A 112 -4.392 -12.855 -8.125 1.00 0.00 O ATOM 1773 CB SER A 112 -2.685 -15.601 -7.667 1.00 0.00 C ATOM 1774 OG SER A 112 -2.096 -15.154 -8.876 1.00 0.00 O ATOM 0 H SER A 112 -3.259 -15.853 -5.279 1.00 0.00 H new ATOM 0 HA SER A 112 -2.362 -13.652 -6.821 1.00 0.00 H new ATOM 0 HB2 SER A 112 -1.969 -16.208 -7.113 1.00 0.00 H new ATOM 0 HB3 SER A 112 -3.540 -16.239 -7.890 1.00 0.00 H new ATOM 0 HG SER A 112 -1.816 -15.927 -9.409 1.00 0.00 H new ATOM 1780 N LYS A 113 -5.552 -14.414 -6.992 1.00 0.00 N ATOM 1781 CA LYS A 113 -6.852 -13.943 -7.456 1.00 0.00 C ATOM 1782 C LYS A 113 -7.180 -12.577 -6.862 1.00 0.00 C ATOM 1783 O LYS A 113 -7.321 -11.592 -7.588 1.00 0.00 O ATOM 1784 CB LYS A 113 -7.944 -14.949 -7.085 1.00 0.00 C ATOM 1785 CG LYS A 113 -8.184 -16.006 -8.148 1.00 0.00 C ATOM 1786 CD LYS A 113 -7.032 -16.994 -8.222 1.00 0.00 C ATOM 1787 CE LYS A 113 -6.967 -17.674 -9.581 1.00 0.00 C ATOM 1788 NZ LYS A 113 -5.705 -18.445 -9.755 1.00 0.00 N ATOM 0 H LYS A 113 -5.594 -15.219 -6.367 1.00 0.00 H new ATOM 0 HA LYS A 113 -6.809 -13.846 -8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -7.671 -15.440 -6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -8.875 -14.412 -6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -9.109 -16.540 -7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.315 -15.525 -9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.093 -16.475 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.147 -17.747 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.820 -18.343 -9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -7.045 -16.923 -10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -5.699 -18.893 -10.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.891 -17.802 -9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.642 -19.178 -9.020 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.300 -12.525 -5.540 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.609 -11.279 -4.850 1.00 0.00 C ATOM 1804 C ILE A 114 -6.847 -10.108 -5.462 1.00 0.00 C ATOM 1805 O ILE A 114 -7.293 -8.963 -5.396 1.00 0.00 O ATOM 1806 CB ILE A 114 -7.272 -11.369 -3.349 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -8.043 -12.519 -2.699 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.589 -10.052 -2.656 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.540 -12.305 -2.673 1.00 0.00 C ATOM 0 H ILE A 114 -7.188 -13.331 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.680 -11.111 -4.964 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.205 -11.566 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.825 -13.441 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.686 -12.654 -1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -7.346 -10.131 -1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.999 -9.253 -3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.650 -9.827 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -10.022 -13.160 -2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.768 -11.400 -2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.910 -12.200 -3.693 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.698 -10.404 -6.058 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.876 -9.377 -6.686 1.00 0.00 C ATOM 1823 C ALA A 115 -5.440 -8.977 -8.045 1.00 0.00 C ATOM 1824 O ALA A 115 -5.429 -7.803 -8.411 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.441 -9.863 -6.830 1.00 0.00 C ATOM 0 H ALA A 115 -5.314 -11.347 -6.120 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.887 -8.496 -6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.839 -9.086 -7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -3.034 -10.091 -5.845 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.421 -10.761 -7.448 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.932 -9.963 -8.790 1.00 0.00 N ATOM 1832 CA ASN A 116 -6.499 -9.713 -10.110 1.00 0.00 C ATOM 1833 C ASN A 116 -7.760 -8.861 -10.008 1.00 0.00 C ATOM 1834 O ASN A 116 -8.014 -8.008 -10.857 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.820 -11.036 -10.808 1.00 0.00 C ATOM 1836 CG ASN A 116 -8.245 -11.492 -10.559 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -9.188 -10.711 -10.683 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -8.407 -12.761 -10.204 1.00 0.00 N ATOM 0 H ASN A 116 -5.949 -10.941 -8.502 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.760 -9.168 -10.698 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.659 -10.926 -11.880 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -6.130 -11.804 -10.459 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -9.343 -13.124 -10.022 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.596 -13.373 -10.113 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.545 -9.098 -8.961 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.780 -8.351 -8.749 1.00 0.00 C ATOM 1847 C GLU A 117 -9.482 -6.924 -8.300 1.00 0.00 C ATOM 1848 O GLU A 117 -10.166 -5.980 -8.697 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.654 -9.053 -7.708 1.00 0.00 C ATOM 1850 CG GLU A 117 -11.075 -10.456 -8.113 1.00 0.00 C ATOM 1851 CD GLU A 117 -12.397 -10.477 -8.855 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -12.454 -9.939 -9.981 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -13.374 -11.031 -8.310 1.00 0.00 O ATOM 0 H GLU A 117 -8.348 -9.800 -8.248 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.318 -8.311 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.111 -9.104 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.546 -8.452 -7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.302 -10.896 -8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.153 -11.079 -7.222 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.456 -6.773 -7.468 1.00 0.00 N ATOM 1861 CA LEU A 118 -8.067 -5.461 -6.964 1.00 0.00 C ATOM 1862 C LEU A 118 -7.150 -4.748 -7.952 1.00 0.00 C ATOM 1863 O LEU A 118 -6.450 -3.800 -7.594 1.00 0.00 O ATOM 1864 CB LEU A 118 -7.367 -5.601 -5.610 1.00 0.00 C ATOM 1865 CG LEU A 118 -8.229 -6.123 -4.460 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.353 -6.627 -3.323 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -9.174 -5.036 -3.967 1.00 0.00 C ATOM 0 H LEU A 118 -7.879 -7.543 -7.129 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.970 -4.864 -6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.515 -6.270 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.970 -4.626 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.827 -6.957 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.983 -6.995 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.718 -7.436 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.729 -5.812 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.780 -5.425 -3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.595 -4.182 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.825 -4.722 -4.783 1.00 0.00 H new ATOM 1879 N LYS A 119 -7.159 -5.208 -9.198 1.00 0.00 N ATOM 1880 CA LYS A 119 -6.331 -4.613 -10.240 1.00 0.00 C ATOM 1881 C LYS A 119 -4.908 -4.386 -9.741 1.00 0.00 C ATOM 1882 O LYS A 119 -4.262 -3.401 -10.102 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.937 -3.287 -10.706 1.00 0.00 C ATOM 1884 CG LYS A 119 -8.148 -3.456 -11.608 1.00 0.00 C ATOM 1885 CD LYS A 119 -9.435 -3.535 -10.804 1.00 0.00 C ATOM 1886 CE LYS A 119 -9.914 -2.155 -10.382 1.00 0.00 C ATOM 1887 NZ LYS A 119 -10.366 -1.344 -11.546 1.00 0.00 N ATOM 0 H LYS A 119 -7.731 -5.992 -9.511 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.296 -5.305 -11.081 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -7.224 -2.701 -9.833 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.176 -2.716 -11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.204 -2.619 -12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.035 -4.361 -12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.207 -4.023 -11.398 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -9.276 -4.152 -9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -10.733 -2.257 -9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -9.108 -1.633 -9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -10.955 -0.555 -11.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.538 -0.968 -12.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -10.921 -1.942 -12.191 1.00 0.00 H new ATOM 1901 N LEU A 120 -4.423 -5.304 -8.912 1.00 0.00 N ATOM 1902 CA LEU A 120 -3.074 -5.205 -8.365 1.00 0.00 C ATOM 1903 C LEU A 120 -2.033 -5.595 -9.409 1.00 0.00 C ATOM 1904 O LEU A 120 -2.360 -6.195 -10.433 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.936 -6.098 -7.131 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.692 -5.641 -5.883 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.664 -6.724 -4.816 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.102 -4.345 -5.347 1.00 0.00 C ATOM 0 H LEU A 120 -4.944 -6.125 -8.604 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.901 -4.168 -8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.278 -7.099 -7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.878 -6.178 -6.881 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.731 -5.457 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.207 -6.381 -3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.134 -7.628 -5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.631 -6.940 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.652 -4.035 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.055 -4.501 -5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.176 -3.569 -6.109 1.00 0.00 H new ATOM 1920 N SER A 121 -0.777 -5.252 -9.141 1.00 0.00 N ATOM 1921 CA SER A 121 0.313 -5.566 -10.058 1.00 0.00 C ATOM 1922 C SER A 121 0.222 -7.011 -10.536 1.00 0.00 C ATOM 1923 O SER A 121 0.042 -7.274 -11.725 1.00 0.00 O ATOM 1924 CB SER A 121 1.663 -5.325 -9.380 1.00 0.00 C ATOM 1925 OG SER A 121 2.700 -5.201 -10.338 1.00 0.00 O ATOM 0 H SER A 121 -0.489 -4.757 -8.297 1.00 0.00 H new ATOM 0 HA SER A 121 0.227 -4.910 -10.924 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.613 -4.420 -8.774 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.886 -6.150 -8.703 1.00 0.00 H new ATOM 0 HG SER A 121 3.552 -5.046 -9.879 1.00 0.00 H new ATOM 1931 N GLY A 122 0.348 -7.947 -9.600 1.00 0.00 N ATOM 1932 CA GLY A 122 0.278 -9.355 -9.944 1.00 0.00 C ATOM 1933 C GLY A 122 1.645 -9.959 -10.199 1.00 0.00 C ATOM 1934 O GLY A 122 2.004 -10.280 -11.332 1.00 0.00 O ATOM 0 H GLY A 122 0.497 -7.755 -8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.211 -9.899 -9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.342 -9.478 -10.832 1.00 0.00 H new ATOM 1938 N PRO A 123 2.434 -10.120 -9.126 1.00 0.00 N ATOM 1939 CA PRO A 123 3.782 -10.689 -9.213 1.00 0.00 C ATOM 1940 C PRO A 123 3.763 -12.177 -9.544 1.00 0.00 C ATOM 1941 O PRO A 123 4.808 -12.785 -9.775 1.00 0.00 O ATOM 1942 CB PRO A 123 4.355 -10.460 -7.812 1.00 0.00 C ATOM 1943 CG PRO A 123 3.162 -10.385 -6.923 1.00 0.00 C ATOM 1944 CD PRO A 123 2.070 -9.759 -7.745 1.00 0.00 C ATOM 0 HA PRO A 123 4.368 -10.229 -10.009 1.00 0.00 H new ATOM 0 HB2 PRO A 123 5.018 -11.274 -7.517 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.940 -9.541 -7.769 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.870 -11.377 -6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.374 -9.788 -6.036 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.089 -10.148 -7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.033 -8.678 -7.608 1.00 0.00 H new