USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=21 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 112 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 116 ASN : amide:sc=-0.00118 X(o=-0.0012,f=-0.24) USER MOD Set 2.1: A 55 CYS SG : rot 56:sc= -0.534 USER MOD Set 2.2: A 69 HIS :FLIP no HE2:sc= -1.04 F(o=-3.9!,f=-1.6) USER MOD Set 3.1: A 43 MET CE :methyl 154:sc= -0.705 (180deg=-0.991) USER MOD Set 3.2: A 59 GLN : amide:sc= -0.0935 K(o=-0.8,f=-2.4!) USER MOD Set 4.1: A 35 SER OG : rot 166:sc= 0.0152 USER MOD Set 4.2: A 39 SER OG : rot 180:sc= 0.969 USER MOD Set 4.3: A 93 ASN : amide:sc= 0.932 K(o=1.9,f=1) USER MOD Single : A 29 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.087) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 36 SER OG : rot -55:sc= 0.337 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -137:sc= -1.62 (180deg=-4.69!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0563 X(o=-0.056,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.18 K(o=-0.18,f=-3.2!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 158:sc= -1.48! USER MOD Single : A 73 HIS :FLIP no HE2:sc= -0.821 F(o=-2.2!,f=-0.82) USER MOD Single : A 76 ASN : amide:sc= -2.07! C(o=-2.1!,f=-11!) USER MOD Single : A 79 GLN : amide:sc= -2.69! C(o=-2.7!,f=-6.5!) USER MOD Single : A 82 MET CE :methyl 150:sc= -5.35! (180deg=-7.68!) USER MOD Single : A 85 CYS SG : rot 33:sc= 0.124 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 56:sc= 1.19 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN :FLIP amide:sc= -0.394 F(o=-1.5,f=-0.39) USER MOD Single : A 113 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0401) 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 5.125 -14.157 3.597 1.00 0.00 N ATOM 458 CA ASN A 29 4.347 -12.932 3.450 1.00 0.00 C ATOM 459 C ASN A 29 4.466 -12.379 2.033 1.00 0.00 C ATOM 460 O ASN A 29 5.566 -12.250 1.495 1.00 0.00 O ATOM 461 CB ASN A 29 4.816 -11.882 4.459 1.00 0.00 C ATOM 462 CG ASN A 29 5.012 -12.461 5.847 1.00 0.00 C ATOM 463 OD1 ASN A 29 4.176 -12.276 6.733 1.00 0.00 O ATOM 464 ND2 ASN A 29 6.120 -13.165 6.043 1.00 0.00 N ATOM 0 HA ASN A 29 3.301 -13.170 3.642 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.753 -11.445 4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.085 -11.074 4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.307 -13.578 6.957 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.785 -13.293 5.280 1.00 0.00 H new ATOM 471 N LEU A 30 3.326 -12.054 1.434 1.00 0.00 N ATOM 472 CA LEU A 30 3.300 -11.515 0.078 1.00 0.00 C ATOM 473 C LEU A 30 3.045 -10.011 0.096 1.00 0.00 C ATOM 474 O LEU A 30 2.593 -9.459 1.100 1.00 0.00 O ATOM 475 CB LEU A 30 2.223 -12.216 -0.751 1.00 0.00 C ATOM 476 CG LEU A 30 2.605 -13.578 -1.333 1.00 0.00 C ATOM 477 CD1 LEU A 30 3.691 -13.423 -2.386 1.00 0.00 C ATOM 478 CD2 LEU A 30 3.062 -14.520 -0.229 1.00 0.00 C ATOM 0 H LEU A 30 2.407 -12.154 1.865 1.00 0.00 H new ATOM 0 HA LEU A 30 4.274 -11.695 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.339 -12.345 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.940 -11.558 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 30 1.724 -14.008 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.950 -14.402 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.329 -12.784 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.574 -12.972 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.330 -15.484 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.930 -14.095 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.254 -14.657 0.490 1.00 0.00 H new ATOM 490 N TYR A 31 3.336 -9.354 -1.021 1.00 0.00 N ATOM 491 CA TYR A 31 3.138 -7.914 -1.135 1.00 0.00 C ATOM 492 C TYR A 31 2.467 -7.558 -2.458 1.00 0.00 C ATOM 493 O TYR A 31 2.707 -8.200 -3.481 1.00 0.00 O ATOM 494 CB TYR A 31 4.477 -7.183 -1.016 1.00 0.00 C ATOM 495 CG TYR A 31 5.440 -7.837 -0.051 1.00 0.00 C ATOM 496 CD1 TYR A 31 5.188 -7.842 1.315 1.00 0.00 C ATOM 497 CD2 TYR A 31 6.602 -8.448 -0.505 1.00 0.00 C ATOM 498 CE1 TYR A 31 6.065 -8.438 2.201 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.484 -9.047 0.373 1.00 0.00 C ATOM 500 CZ TYR A 31 7.212 -9.039 1.725 1.00 0.00 C ATOM 501 OH TYR A 31 8.089 -9.633 2.603 1.00 0.00 O ATOM 0 H TYR A 31 3.710 -9.796 -1.861 1.00 0.00 H new ATOM 0 HA TYR A 31 2.485 -7.598 -0.322 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.942 -7.131 -2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.294 -6.157 -0.695 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.291 -7.372 1.691 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.820 -8.455 -1.563 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.854 -8.433 3.260 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.382 -9.519 0.003 1.00 0.00 H new ATOM 0 HH TYR A 31 8.845 -10.010 2.106 1.00 0.00 H new ATOM 511 N PHE A 32 1.625 -6.530 -2.429 1.00 0.00 N ATOM 512 CA PHE A 32 0.918 -6.088 -3.626 1.00 0.00 C ATOM 513 C PHE A 32 0.607 -4.596 -3.553 1.00 0.00 C ATOM 514 O PHE A 32 0.289 -4.070 -2.486 1.00 0.00 O ATOM 515 CB PHE A 32 -0.377 -6.883 -3.802 1.00 0.00 C ATOM 516 CG PHE A 32 -0.197 -8.366 -3.643 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.122 -8.937 -2.384 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.100 -9.188 -4.755 1.00 0.00 C ATOM 519 CE1 PHE A 32 0.043 -10.301 -2.234 1.00 0.00 C ATOM 520 CE2 PHE A 32 0.065 -10.552 -4.612 1.00 0.00 C ATOM 521 CZ PHE A 32 0.138 -11.110 -3.350 1.00 0.00 C ATOM 0 H PHE A 32 1.416 -5.988 -1.591 1.00 0.00 H new ATOM 0 HA PHE A 32 1.564 -6.265 -4.486 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.110 -6.534 -3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.788 -6.679 -4.791 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.193 -8.309 -1.508 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.154 -8.757 -5.744 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.098 -10.734 -1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.137 -11.182 -5.486 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.269 -12.176 -3.236 1.00 0.00 H new ATOM 531 N GLN A 33 0.700 -3.921 -4.694 1.00 0.00 N ATOM 532 CA GLN A 33 0.430 -2.490 -4.759 1.00 0.00 C ATOM 533 C GLN A 33 -0.607 -2.181 -5.834 1.00 0.00 C ATOM 534 O GLN A 33 -0.611 -2.792 -6.901 1.00 0.00 O ATOM 535 CB GLN A 33 1.720 -1.718 -5.042 1.00 0.00 C ATOM 536 CG GLN A 33 2.183 -1.815 -6.486 1.00 0.00 C ATOM 537 CD GLN A 33 3.149 -0.709 -6.865 1.00 0.00 C ATOM 538 OE1 GLN A 33 4.004 -0.317 -6.070 1.00 0.00 O ATOM 539 NE2 GLN A 33 3.018 -0.200 -8.084 1.00 0.00 N ATOM 0 H GLN A 33 0.960 -4.342 -5.586 1.00 0.00 H new ATOM 0 HA GLN A 33 0.032 -2.177 -3.794 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.569 -0.669 -4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.509 -2.094 -4.390 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.662 -2.781 -6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.316 -1.776 -7.145 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.295 -0.555 -8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.640 0.546 -8.395 1.00 0.00 H new ATOM 548 N GLY A 34 -1.487 -1.227 -5.543 1.00 0.00 N ATOM 549 CA GLY A 34 -2.517 -0.853 -6.495 1.00 0.00 C ATOM 550 C GLY A 34 -3.747 -0.278 -5.821 1.00 0.00 C ATOM 551 O GLY A 34 -4.855 -0.782 -6.002 1.00 0.00 O ATOM 0 H GLY A 34 -1.505 -0.707 -4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.113 -0.120 -7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.802 -1.728 -7.080 1.00 0.00 H new ATOM 555 N SER A 35 -3.552 0.780 -5.040 1.00 0.00 N ATOM 556 CA SER A 35 -4.654 1.421 -4.333 1.00 0.00 C ATOM 557 C SER A 35 -5.559 2.173 -5.304 1.00 0.00 C ATOM 558 O SER A 35 -5.096 2.718 -6.306 1.00 0.00 O ATOM 559 CB SER A 35 -4.116 2.382 -3.271 1.00 0.00 C ATOM 560 OG SER A 35 -5.174 2.997 -2.556 1.00 0.00 O ATOM 0 H SER A 35 -2.641 1.211 -4.881 1.00 0.00 H new ATOM 0 HA SER A 35 -5.241 0.643 -3.845 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.472 1.840 -2.579 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.501 3.147 -3.746 1.00 0.00 H new ATOM 0 HG SER A 35 -4.819 3.422 -1.748 1.00 0.00 H new ATOM 566 N SER A 36 -6.853 2.199 -4.998 1.00 0.00 N ATOM 567 CA SER A 36 -7.825 2.880 -5.845 1.00 0.00 C ATOM 568 C SER A 36 -8.180 4.249 -5.271 1.00 0.00 C ATOM 569 O SER A 36 -9.339 4.662 -5.294 1.00 0.00 O ATOM 570 CB SER A 36 -9.089 2.032 -5.991 1.00 0.00 C ATOM 571 OG SER A 36 -9.944 2.558 -6.992 1.00 0.00 O ATOM 0 H SER A 36 -7.252 1.756 -4.170 1.00 0.00 H new ATOM 0 HA SER A 36 -7.377 3.022 -6.828 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.816 1.007 -6.243 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.618 1.996 -5.039 1.00 0.00 H new ATOM 0 HG SER A 36 -10.148 3.495 -6.789 1.00 0.00 H new ATOM 577 N GLY A 37 -7.173 4.948 -4.757 1.00 0.00 N ATOM 578 CA GLY A 37 -7.399 6.262 -4.183 1.00 0.00 C ATOM 579 C GLY A 37 -6.618 6.477 -2.902 1.00 0.00 C ATOM 580 O GLY A 37 -5.426 6.782 -2.936 1.00 0.00 O ATOM 0 H GLY A 37 -6.205 4.628 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.118 7.025 -4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.463 6.389 -3.982 1.00 0.00 H new ATOM 584 N SER A 38 -7.293 6.320 -1.767 1.00 0.00 N ATOM 585 CA SER A 38 -6.656 6.504 -0.468 1.00 0.00 C ATOM 586 C SER A 38 -6.420 5.162 0.217 1.00 0.00 C ATOM 587 O SER A 38 -6.875 4.121 -0.258 1.00 0.00 O ATOM 588 CB SER A 38 -7.519 7.400 0.424 1.00 0.00 C ATOM 589 OG SER A 38 -7.529 8.735 -0.052 1.00 0.00 O ATOM 0 H SER A 38 -8.280 6.066 -1.721 1.00 0.00 H new ATOM 0 HA SER A 38 -5.691 6.984 -0.629 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.538 7.014 0.455 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.138 7.377 1.445 1.00 0.00 H new ATOM 0 HG SER A 38 -8.088 9.287 0.534 1.00 0.00 H new ATOM 595 N SER A 39 -5.704 5.193 1.336 1.00 0.00 N ATOM 596 CA SER A 39 -5.403 3.979 2.086 1.00 0.00 C ATOM 597 C SER A 39 -6.686 3.280 2.526 1.00 0.00 C ATOM 598 O SER A 39 -6.754 2.053 2.567 1.00 0.00 O ATOM 599 CB SER A 39 -4.544 4.309 3.308 1.00 0.00 C ATOM 600 OG SER A 39 -3.350 4.972 2.928 1.00 0.00 O ATOM 0 H SER A 39 -5.321 6.046 1.744 1.00 0.00 H new ATOM 0 HA SER A 39 -4.849 3.306 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.110 4.938 3.995 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.300 3.391 3.843 1.00 0.00 H new ATOM 0 HG SER A 39 -2.819 5.173 3.727 1.00 0.00 H new ATOM 606 N GLY A 40 -7.702 4.073 2.854 1.00 0.00 N ATOM 607 CA GLY A 40 -8.969 3.513 3.287 1.00 0.00 C ATOM 608 C GLY A 40 -9.604 2.630 2.231 1.00 0.00 C ATOM 609 O GLY A 40 -9.879 1.456 2.478 1.00 0.00 O ATOM 0 H GLY A 40 -7.670 5.092 2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.814 2.932 4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.654 4.323 3.539 1.00 0.00 H new ATOM 613 N ASP A 41 -9.838 3.195 1.052 1.00 0.00 N ATOM 614 CA ASP A 41 -10.445 2.451 -0.046 1.00 0.00 C ATOM 615 C ASP A 41 -9.991 0.995 -0.032 1.00 0.00 C ATOM 616 O ASP A 41 -10.812 0.078 -0.067 1.00 0.00 O ATOM 617 CB ASP A 41 -10.089 3.096 -1.386 1.00 0.00 C ATOM 618 CG ASP A 41 -10.834 4.396 -1.619 1.00 0.00 C ATOM 619 OD1 ASP A 41 -10.973 5.181 -0.657 1.00 0.00 O ATOM 620 OD2 ASP A 41 -11.276 4.630 -2.763 1.00 0.00 O ATOM 0 H ASP A 41 -9.617 4.166 0.832 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.527 2.477 0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.016 3.284 -1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.318 2.400 -2.193 1.00 0.00 H new ATOM 625 N MET A 42 -8.679 0.790 0.019 1.00 0.00 N ATOM 626 CA MET A 42 -8.116 -0.555 0.038 1.00 0.00 C ATOM 627 C MET A 42 -8.978 -1.493 0.877 1.00 0.00 C ATOM 628 O MET A 42 -9.475 -2.504 0.382 1.00 0.00 O ATOM 629 CB MET A 42 -6.689 -0.527 0.588 1.00 0.00 C ATOM 630 CG MET A 42 -5.634 -0.258 -0.474 1.00 0.00 C ATOM 631 SD MET A 42 -4.979 -1.772 -1.201 1.00 0.00 S ATOM 632 CE MET A 42 -6.005 -1.916 -2.663 1.00 0.00 C ATOM 0 H MET A 42 -7.986 1.538 0.048 1.00 0.00 H new ATOM 0 HA MET A 42 -8.095 -0.927 -0.986 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.620 0.240 1.359 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.474 -1.482 1.068 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.065 0.361 -1.261 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.816 0.312 -0.032 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.319 -2.953 -2.787 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.884 -1.281 -2.554 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.437 -1.602 -3.539 1.00 0.00 H new ATOM 642 N MET A 43 -9.149 -1.152 2.150 1.00 0.00 N ATOM 643 CA MET A 43 -9.952 -1.964 3.057 1.00 0.00 C ATOM 644 C MET A 43 -11.281 -2.345 2.414 1.00 0.00 C ATOM 645 O MET A 43 -11.712 -3.496 2.493 1.00 0.00 O ATOM 646 CB MET A 43 -10.202 -1.210 4.365 1.00 0.00 C ATOM 647 CG MET A 43 -8.927 -0.806 5.087 1.00 0.00 C ATOM 648 SD MET A 43 -9.214 -0.378 6.815 1.00 0.00 S ATOM 649 CE MET A 43 -9.211 -2.001 7.571 1.00 0.00 C ATOM 0 H MET A 43 -8.743 -0.319 2.577 1.00 0.00 H new ATOM 0 HA MET A 43 -9.398 -2.878 3.273 1.00 0.00 H new ATOM 0 HB2 MET A 43 -10.789 -0.316 4.153 1.00 0.00 H new ATOM 0 HB3 MET A 43 -10.802 -1.835 5.026 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.209 -1.624 5.034 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.478 0.046 4.575 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.916 -1.915 8.617 1.00 0.00 H new ATOM 0 HE2 MET A 43 -10.210 -2.433 7.510 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.505 -2.645 7.047 1.00 0.00 H new ATOM 659 N ARG A 44 -11.926 -1.373 1.778 1.00 0.00 N ATOM 660 CA ARG A 44 -13.207 -1.607 1.122 1.00 0.00 C ATOM 661 C ARG A 44 -13.039 -2.521 -0.088 1.00 0.00 C ATOM 662 O ARG A 44 -13.564 -3.633 -0.115 1.00 0.00 O ATOM 663 CB ARG A 44 -13.833 -0.280 0.690 1.00 0.00 C ATOM 664 CG ARG A 44 -14.415 0.523 1.842 1.00 0.00 C ATOM 665 CD ARG A 44 -13.322 1.145 2.696 1.00 0.00 C ATOM 666 NE ARG A 44 -13.813 2.280 3.472 1.00 0.00 N ATOM 667 CZ ARG A 44 -13.095 2.902 4.401 1.00 0.00 C ATOM 668 NH1 ARG A 44 -11.860 2.501 4.667 1.00 0.00 N ATOM 669 NH2 ARG A 44 -13.611 3.928 5.064 1.00 0.00 N ATOM 0 H ARG A 44 -11.583 -0.416 1.703 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.869 -2.097 1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.077 0.321 0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.620 -0.479 -0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.062 1.307 1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.037 -0.124 2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.917 0.392 3.372 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.503 1.471 2.055 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.760 2.614 3.291 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -11.459 1.713 4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.311 2.980 5.381 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -14.560 4.241 4.861 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.058 4.404 5.777 1.00 0.00 H new ATOM 683 N GLU A 45 -12.305 -2.042 -1.087 1.00 0.00 N ATOM 684 CA GLU A 45 -12.070 -2.816 -2.301 1.00 0.00 C ATOM 685 C GLU A 45 -11.749 -4.269 -1.965 1.00 0.00 C ATOM 686 O GLU A 45 -12.400 -5.190 -2.460 1.00 0.00 O ATOM 687 CB GLU A 45 -10.925 -2.202 -3.110 1.00 0.00 C ATOM 688 CG GLU A 45 -11.055 -2.417 -4.608 1.00 0.00 C ATOM 689 CD GLU A 45 -10.376 -1.327 -5.415 1.00 0.00 C ATOM 690 OE1 GLU A 45 -9.305 -0.850 -4.985 1.00 0.00 O ATOM 691 OE2 GLU A 45 -10.916 -0.952 -6.476 1.00 0.00 O ATOM 0 H GLU A 45 -11.863 -1.123 -1.080 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.981 -2.792 -2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.881 -1.132 -2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.981 -2.629 -2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.622 -3.382 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.111 -2.457 -4.875 1.00 0.00 H new ATOM 698 N ILE A 46 -10.741 -4.467 -1.123 1.00 0.00 N ATOM 699 CA ILE A 46 -10.333 -5.808 -0.721 1.00 0.00 C ATOM 700 C ILE A 46 -11.538 -6.649 -0.312 1.00 0.00 C ATOM 701 O ILE A 46 -11.884 -7.622 -0.982 1.00 0.00 O ATOM 702 CB ILE A 46 -9.331 -5.765 0.448 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.076 -4.988 0.044 1.00 0.00 C ATOM 704 CG2 ILE A 46 -8.969 -7.176 0.887 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.309 -4.426 1.220 1.00 0.00 C ATOM 0 H ILE A 46 -10.191 -3.716 -0.706 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.851 -6.264 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.798 -5.252 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.420 -5.645 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.362 -4.170 -0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.260 -7.129 1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.869 -7.699 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.518 -7.712 0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.432 -3.888 0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.949 -3.743 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.992 -5.241 1.871 1.00 0.00 H new ATOM 717 N ARG A 47 -12.173 -6.266 0.791 1.00 0.00 N ATOM 718 CA ARG A 47 -13.340 -6.985 1.289 1.00 0.00 C ATOM 719 C ARG A 47 -14.288 -7.340 0.147 1.00 0.00 C ATOM 720 O ARG A 47 -14.844 -8.437 0.106 1.00 0.00 O ATOM 721 CB ARG A 47 -14.076 -6.144 2.333 1.00 0.00 C ATOM 722 CG ARG A 47 -13.389 -6.120 3.689 1.00 0.00 C ATOM 723 CD ARG A 47 -14.146 -5.250 4.681 1.00 0.00 C ATOM 724 NE ARG A 47 -13.976 -3.827 4.402 1.00 0.00 N ATOM 725 CZ ARG A 47 -14.763 -2.881 4.901 1.00 0.00 C ATOM 726 NH1 ARG A 47 -15.769 -3.205 5.701 1.00 0.00 N ATOM 727 NH2 ARG A 47 -14.544 -1.607 4.600 1.00 0.00 N ATOM 0 H ARG A 47 -11.899 -5.462 1.357 1.00 0.00 H new ATOM 0 HA ARG A 47 -12.995 -7.909 1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.170 -5.123 1.964 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.087 -6.533 2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.313 -7.135 4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.372 -5.745 3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.206 -5.502 4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.798 -5.465 5.691 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.211 -3.544 3.790 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.940 -4.183 5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.372 -2.476 6.083 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.771 -1.354 3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.149 -0.881 4.984 1.00 0.00 H new ATOM 741 N LYS A 48 -14.467 -6.404 -0.779 1.00 0.00 N ATOM 742 CA LYS A 48 -15.346 -6.617 -1.923 1.00 0.00 C ATOM 743 C LYS A 48 -15.096 -7.983 -2.555 1.00 0.00 C ATOM 744 O LYS A 48 -16.009 -8.800 -2.673 1.00 0.00 O ATOM 745 CB LYS A 48 -15.138 -5.516 -2.964 1.00 0.00 C ATOM 746 CG LYS A 48 -16.306 -5.357 -3.923 1.00 0.00 C ATOM 747 CD LYS A 48 -16.181 -6.293 -5.113 1.00 0.00 C ATOM 748 CE LYS A 48 -15.134 -5.802 -6.101 1.00 0.00 C ATOM 749 NZ LYS A 48 -14.993 -6.723 -7.263 1.00 0.00 N ATOM 0 H LYS A 48 -14.015 -5.490 -0.760 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.376 -6.583 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.969 -4.569 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.236 -5.734 -3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.240 -5.558 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.353 -4.326 -4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.915 -7.291 -4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.145 -6.376 -5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.407 -4.808 -6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.173 -5.706 -5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.270 -6.353 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.707 -7.665 -6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.903 -6.795 -7.762 1.00 0.00 H new ATOM 763 N VAL A 49 -13.852 -8.225 -2.958 1.00 0.00 N ATOM 764 CA VAL A 49 -13.481 -9.492 -3.575 1.00 0.00 C ATOM 765 C VAL A 49 -13.907 -10.671 -2.708 1.00 0.00 C ATOM 766 O VAL A 49 -14.455 -11.656 -3.205 1.00 0.00 O ATOM 767 CB VAL A 49 -11.963 -9.573 -3.822 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.601 -10.889 -4.494 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.497 -8.392 -4.659 1.00 0.00 C ATOM 0 H VAL A 49 -13.084 -7.559 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.000 -9.542 -4.532 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.453 -9.532 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.525 -10.928 -4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.900 -11.719 -3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.119 -10.964 -5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.422 -8.465 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.013 -8.400 -5.619 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.721 -7.463 -4.135 1.00 0.00 H new ATOM 779 N LEU A 50 -13.653 -10.565 -1.408 1.00 0.00 N ATOM 780 CA LEU A 50 -14.011 -11.623 -0.469 1.00 0.00 C ATOM 781 C LEU A 50 -15.454 -12.071 -0.678 1.00 0.00 C ATOM 782 O LEU A 50 -15.713 -13.223 -1.023 1.00 0.00 O ATOM 783 CB LEU A 50 -13.818 -11.141 0.970 1.00 0.00 C ATOM 784 CG LEU A 50 -12.435 -10.585 1.312 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.371 -10.177 2.775 1.00 0.00 C ATOM 786 CD2 LEU A 50 -11.355 -11.609 0.993 1.00 0.00 C ATOM 0 H LEU A 50 -13.201 -9.757 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.356 -12.475 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.559 -10.369 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.030 -11.973 1.642 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.259 -9.699 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.380 -9.784 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.119 -9.409 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.568 -11.045 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.377 -11.197 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.527 -12.513 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.386 -11.852 -0.069 1.00 0.00 H new ATOM 798 N GLY A 51 -16.391 -11.151 -0.468 1.00 0.00 N ATOM 799 CA GLY A 51 -17.796 -11.470 -0.640 1.00 0.00 C ATOM 800 C GLY A 51 -18.060 -12.261 -1.906 1.00 0.00 C ATOM 801 O GLY A 51 -18.854 -13.201 -1.904 1.00 0.00 O ATOM 0 H GLY A 51 -16.202 -10.190 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.144 -12.041 0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.375 -10.547 -0.665 1.00 0.00 H new ATOM 805 N ALA A 52 -17.393 -11.880 -2.990 1.00 0.00 N ATOM 806 CA ALA A 52 -17.559 -12.560 -4.269 1.00 0.00 C ATOM 807 C ALA A 52 -17.162 -14.029 -4.164 1.00 0.00 C ATOM 808 O ALA A 52 -17.792 -14.896 -4.769 1.00 0.00 O ATOM 809 CB ALA A 52 -16.741 -11.866 -5.347 1.00 0.00 C ATOM 0 H ALA A 52 -16.732 -11.103 -3.008 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.613 -12.513 -4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.875 -12.385 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.074 -10.833 -5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.687 -11.882 -5.071 1.00 0.00 H new ATOM 815 N ASN A 53 -16.114 -14.300 -3.394 1.00 0.00 N ATOM 816 CA ASN A 53 -15.632 -15.665 -3.212 1.00 0.00 C ATOM 817 C ASN A 53 -16.105 -16.235 -1.878 1.00 0.00 C ATOM 818 O ASN A 53 -15.355 -16.919 -1.183 1.00 0.00 O ATOM 819 CB ASN A 53 -14.104 -15.702 -3.282 1.00 0.00 C ATOM 820 CG ASN A 53 -13.592 -15.728 -4.709 1.00 0.00 C ATOM 821 OD1 ASN A 53 -12.993 -16.710 -5.148 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.824 -14.644 -5.440 1.00 0.00 N ATOM 0 H ASN A 53 -15.582 -13.593 -2.886 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.041 -16.279 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.698 -14.830 -2.769 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.740 -16.582 -2.752 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.502 -14.602 -6.407 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.325 -13.853 -5.035 1.00 0.00 H new ATOM 829 N ASN A 54 -17.355 -15.949 -1.528 1.00 0.00 N ATOM 830 CA ASN A 54 -17.929 -16.433 -0.278 1.00 0.00 C ATOM 831 C ASN A 54 -16.890 -16.417 0.839 1.00 0.00 C ATOM 832 O ASN A 54 -16.795 -17.360 1.626 1.00 0.00 O ATOM 833 CB ASN A 54 -18.477 -17.850 -0.459 1.00 0.00 C ATOM 834 CG ASN A 54 -19.670 -17.894 -1.395 1.00 0.00 C ATOM 835 OD1 ASN A 54 -19.778 -17.087 -2.319 1.00 0.00 O ATOM 836 ND2 ASN A 54 -20.572 -18.839 -1.159 1.00 0.00 N ATOM 0 H ASN A 54 -17.990 -15.384 -2.093 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.746 -15.767 -0.000 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -17.689 -18.494 -0.849 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -18.766 -18.252 0.512 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -21.396 -18.918 -1.755 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.441 -19.486 -0.382 1.00 0.00 H new ATOM 843 N CYS A 55 -16.116 -15.340 0.903 1.00 0.00 N ATOM 844 CA CYS A 55 -15.083 -15.200 1.925 1.00 0.00 C ATOM 845 C CYS A 55 -15.513 -14.207 2.999 1.00 0.00 C ATOM 846 O CYS A 55 -16.146 -13.193 2.705 1.00 0.00 O ATOM 847 CB CYS A 55 -13.768 -14.747 1.291 1.00 0.00 C ATOM 848 SG CYS A 55 -12.951 -16.017 0.296 1.00 0.00 S ATOM 0 H CYS A 55 -16.183 -14.551 0.260 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.935 -16.173 2.394 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.961 -13.877 0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -13.088 -14.426 2.080 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.770 -16.445 -0.618 1.00 0.00 H new ATOM 854 N ASP A 56 -15.166 -14.506 4.246 1.00 0.00 N ATOM 855 CA ASP A 56 -15.516 -13.640 5.366 1.00 0.00 C ATOM 856 C ASP A 56 -14.314 -12.813 5.810 1.00 0.00 C ATOM 857 O ASP A 56 -13.167 -13.170 5.538 1.00 0.00 O ATOM 858 CB ASP A 56 -16.039 -14.472 6.538 1.00 0.00 C ATOM 859 CG ASP A 56 -16.732 -13.624 7.587 1.00 0.00 C ATOM 860 OD1 ASP A 56 -17.209 -12.524 7.239 1.00 0.00 O ATOM 861 OD2 ASP A 56 -16.796 -14.060 8.755 1.00 0.00 O ATOM 0 H ASP A 56 -14.643 -15.342 4.507 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.300 -12.959 5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -16.735 -15.223 6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.209 -15.008 6.998 1.00 0.00 H new ATOM 866 N TYR A 57 -14.583 -11.706 6.493 1.00 0.00 N ATOM 867 CA TYR A 57 -13.524 -10.825 6.971 1.00 0.00 C ATOM 868 C TYR A 57 -13.857 -10.273 8.354 1.00 0.00 C ATOM 869 O TYR A 57 -15.011 -9.964 8.648 1.00 0.00 O ATOM 870 CB TYR A 57 -13.307 -9.673 5.988 1.00 0.00 C ATOM 871 CG TYR A 57 -14.591 -9.113 5.419 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.259 -9.763 4.389 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.136 -7.934 5.912 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.432 -9.254 3.866 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.309 -7.418 5.396 1.00 0.00 C ATOM 876 CZ TYR A 57 -16.953 -8.082 4.372 1.00 0.00 C ATOM 877 OH TYR A 57 -18.122 -7.573 3.854 1.00 0.00 O ATOM 0 H TYR A 57 -15.526 -11.397 6.728 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.606 -11.409 7.044 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.764 -8.874 6.492 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.677 -10.019 5.169 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.855 -10.682 3.990 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.634 -7.412 6.713 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.938 -9.772 3.065 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.719 -6.501 5.792 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.353 -6.743 4.322 1.00 0.00 H new ATOM 887 N GLU A 58 -12.837 -10.153 9.197 1.00 0.00 N ATOM 888 CA GLU A 58 -13.021 -9.638 10.549 1.00 0.00 C ATOM 889 C GLU A 58 -12.020 -8.526 10.849 1.00 0.00 C ATOM 890 O GLU A 58 -10.840 -8.786 11.083 1.00 0.00 O ATOM 891 CB GLU A 58 -12.869 -10.765 11.573 1.00 0.00 C ATOM 892 CG GLU A 58 -13.312 -10.379 12.974 1.00 0.00 C ATOM 893 CD GLU A 58 -13.708 -11.579 13.812 1.00 0.00 C ATOM 894 OE1 GLU A 58 -14.878 -12.004 13.724 1.00 0.00 O ATOM 895 OE2 GLU A 58 -12.846 -12.092 14.557 1.00 0.00 O ATOM 0 H GLU A 58 -11.875 -10.405 8.968 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.028 -9.226 10.619 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.450 -11.626 11.242 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.825 -11.078 11.604 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.504 -9.844 13.472 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.156 -9.692 12.908 1.00 0.00 H new ATOM 902 N GLN A 59 -12.500 -7.287 10.839 1.00 0.00 N ATOM 903 CA GLN A 59 -11.647 -6.135 11.108 1.00 0.00 C ATOM 904 C GLN A 59 -11.108 -6.179 12.534 1.00 0.00 C ATOM 905 O GLN A 59 -11.871 -6.107 13.499 1.00 0.00 O ATOM 906 CB GLN A 59 -12.423 -4.836 10.883 1.00 0.00 C ATOM 907 CG GLN A 59 -11.551 -3.680 10.418 1.00 0.00 C ATOM 908 CD GLN A 59 -12.170 -2.328 10.711 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.255 -2.241 11.287 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.482 -1.263 10.316 1.00 0.00 N ATOM 0 H GLN A 59 -13.475 -7.055 10.648 1.00 0.00 H new ATOM 0 HA GLN A 59 -10.803 -6.170 10.419 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.204 -5.012 10.143 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.921 -4.554 11.811 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.579 -3.744 10.907 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.376 -3.770 9.346 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.587 -1.381 9.842 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.849 -0.327 10.487 1.00 0.00 H new ATOM 919 N ARG A 60 -9.791 -6.296 12.660 1.00 0.00 N ATOM 920 CA ARG A 60 -9.150 -6.351 13.969 1.00 0.00 C ATOM 921 C ARG A 60 -8.694 -4.963 14.409 1.00 0.00 C ATOM 922 O ARG A 60 -8.728 -4.635 15.594 1.00 0.00 O ATOM 923 CB ARG A 60 -7.956 -7.306 13.936 1.00 0.00 C ATOM 924 CG ARG A 60 -8.343 -8.757 13.702 1.00 0.00 C ATOM 925 CD ARG A 60 -8.579 -9.489 15.014 1.00 0.00 C ATOM 926 NE ARG A 60 -9.868 -9.146 15.609 1.00 0.00 N ATOM 927 CZ ARG A 60 -10.024 -8.201 16.529 1.00 0.00 C ATOM 928 NH1 ARG A 60 -8.977 -7.509 16.958 1.00 0.00 N ATOM 929 NH2 ARG A 60 -11.229 -7.946 17.023 1.00 0.00 N ATOM 0 H ARG A 60 -9.146 -6.355 11.872 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.881 -6.720 14.689 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.271 -6.990 13.149 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.415 -7.231 14.879 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.246 -8.800 13.092 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.555 -9.259 13.141 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.534 -10.564 14.842 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.780 -9.244 15.714 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.693 -9.660 15.301 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.049 -7.702 16.581 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.100 -6.784 17.665 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.037 -8.476 16.696 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.347 -7.220 17.730 1.00 0.00 H new ATOM 943 N GLU A 61 -8.266 -4.153 13.445 1.00 0.00 N ATOM 944 CA GLU A 61 -7.801 -2.801 13.735 1.00 0.00 C ATOM 945 C GLU A 61 -8.311 -1.815 12.687 1.00 0.00 C ATOM 946 O GLU A 61 -9.091 -2.177 11.806 1.00 0.00 O ATOM 947 CB GLU A 61 -6.273 -2.764 13.785 1.00 0.00 C ATOM 948 CG GLU A 61 -5.670 -3.776 14.745 1.00 0.00 C ATOM 949 CD GLU A 61 -5.703 -3.305 16.186 1.00 0.00 C ATOM 950 OE1 GLU A 61 -6.608 -2.516 16.531 1.00 0.00 O ATOM 951 OE2 GLU A 61 -4.825 -3.725 16.968 1.00 0.00 O ATOM 0 H GLU A 61 -8.232 -4.409 12.458 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.196 -2.508 14.708 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.881 -2.947 12.785 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.952 -1.764 14.076 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.212 -4.718 14.662 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.638 -3.976 14.456 1.00 0.00 H new ATOM 958 N ARG A 62 -7.865 -0.568 12.792 1.00 0.00 N ATOM 959 CA ARG A 62 -8.276 0.472 11.855 1.00 0.00 C ATOM 960 C ARG A 62 -7.875 0.108 10.429 1.00 0.00 C ATOM 961 O ARG A 62 -8.678 0.211 9.501 1.00 0.00 O ATOM 962 CB ARG A 62 -7.655 1.814 12.245 1.00 0.00 C ATOM 963 CG ARG A 62 -7.786 2.881 11.171 1.00 0.00 C ATOM 964 CD ARG A 62 -7.862 4.274 11.775 1.00 0.00 C ATOM 965 NE ARG A 62 -6.538 4.859 11.972 1.00 0.00 N ATOM 966 CZ ARG A 62 -6.303 5.891 12.774 1.00 0.00 C ATOM 967 NH1 ARG A 62 -7.296 6.449 13.452 1.00 0.00 N ATOM 968 NH2 ARG A 62 -5.070 6.366 12.900 1.00 0.00 N ATOM 0 H ARG A 62 -7.219 -0.253 13.516 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.362 0.556 11.898 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.128 2.171 13.160 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.599 1.664 12.470 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.934 2.823 10.494 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.680 2.692 10.576 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.450 4.920 11.123 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.383 4.226 12.731 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.751 4.453 11.466 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.245 6.086 13.359 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.112 7.242 14.067 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.303 5.938 12.381 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.889 7.159 13.516 1.00 0.00 H new ATOM 982 N PHE A 63 -6.627 -0.316 10.261 1.00 0.00 N ATOM 983 CA PHE A 63 -6.118 -0.694 8.947 1.00 0.00 C ATOM 984 C PHE A 63 -5.780 -2.181 8.901 1.00 0.00 C ATOM 985 O PHE A 63 -4.768 -2.582 8.325 1.00 0.00 O ATOM 986 CB PHE A 63 -4.878 0.134 8.600 1.00 0.00 C ATOM 987 CG PHE A 63 -5.153 1.606 8.485 1.00 0.00 C ATOM 988 CD1 PHE A 63 -5.946 2.098 7.461 1.00 0.00 C ATOM 989 CD2 PHE A 63 -4.619 2.497 9.402 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.200 3.452 7.353 1.00 0.00 C ATOM 991 CE2 PHE A 63 -4.869 3.853 9.298 1.00 0.00 C ATOM 992 CZ PHE A 63 -5.661 4.331 8.273 1.00 0.00 C ATOM 0 H PHE A 63 -5.949 -0.407 11.018 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.898 -0.494 8.212 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.118 -0.027 9.365 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.463 -0.225 7.658 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.370 1.416 6.739 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.001 2.128 10.207 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.819 3.823 6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.445 4.538 10.018 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.859 5.390 8.190 1.00 0.00 H new ATOM 1002 N LEU A 64 -6.634 -2.994 9.513 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.427 -4.438 9.543 1.00 0.00 C ATOM 1004 C LEU A 64 -7.735 -5.181 9.294 1.00 0.00 C ATOM 1005 O LEU A 64 -8.807 -4.724 9.693 1.00 0.00 O ATOM 1006 CB LEU A 64 -5.836 -4.860 10.890 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.323 -6.298 10.976 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -4.522 -6.503 12.252 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -6.482 -7.283 10.908 1.00 0.00 C ATOM 0 H LEU A 64 -7.476 -2.678 9.995 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.727 -4.697 8.748 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.013 -4.187 11.130 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.597 -4.720 11.658 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.666 -6.481 10.125 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.165 -7.532 12.296 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.670 -5.823 12.260 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.156 -6.301 13.116 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.098 -8.301 10.971 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.164 -7.100 11.739 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.015 -7.153 9.966 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.641 -6.330 8.634 1.00 0.00 N ATOM 1022 CA LEU A 65 -8.817 -7.139 8.333 1.00 0.00 C ATOM 1023 C LEU A 65 -8.450 -8.616 8.229 1.00 0.00 C ATOM 1024 O LEU A 65 -7.611 -9.002 7.415 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.463 -6.669 7.029 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.415 -5.478 7.142 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.592 -4.806 5.789 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.760 -5.921 7.699 1.00 0.00 C ATOM 0 H LEU A 65 -6.762 -6.723 8.297 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.530 -7.018 9.149 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.670 -6.409 6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.010 -7.506 6.596 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.980 -4.754 7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.273 -3.961 5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.626 -4.453 5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.005 -5.522 5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.425 -5.060 7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.201 -6.665 7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.619 -6.356 8.689 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.086 -9.438 9.058 1.00 0.00 N ATOM 1041 CA PHE A 66 -8.827 -10.873 9.059 1.00 0.00 C ATOM 1042 C PHE A 66 -9.613 -11.567 7.950 1.00 0.00 C ATOM 1043 O PHE A 66 -10.779 -11.921 8.129 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.195 -11.478 10.416 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.596 -12.835 10.649 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -9.005 -13.926 9.898 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -7.624 -13.021 11.618 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -8.456 -15.176 10.110 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -7.070 -14.269 11.834 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.488 -15.348 11.080 1.00 0.00 C ATOM 0 H PHE A 66 -9.784 -9.135 9.737 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.763 -11.026 8.877 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.866 -10.804 11.207 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.280 -11.551 10.490 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.762 -13.797 9.138 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.295 -12.181 12.212 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.783 -16.018 9.518 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.311 -14.400 12.591 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.059 -16.325 11.249 1.00 0.00 H new ATOM 1060 N CYS A 67 -8.966 -11.759 6.806 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.603 -12.410 5.667 1.00 0.00 C ATOM 1062 C CYS A 67 -9.495 -13.927 5.777 1.00 0.00 C ATOM 1063 O CYS A 67 -8.466 -14.458 6.195 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.967 -11.935 4.360 1.00 0.00 C ATOM 1065 SG CYS A 67 -9.161 -10.165 4.045 1.00 0.00 S ATOM 0 H CYS A 67 -8.001 -11.473 6.643 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.659 -12.138 5.669 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.904 -12.176 4.377 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.406 -12.491 3.532 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.237 -9.767 3.221 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.565 -14.620 5.402 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.591 -16.077 5.459 1.00 0.00 C ATOM 1073 C VAL A 68 -11.508 -16.653 4.386 1.00 0.00 C ATOM 1074 O VAL A 68 -12.651 -16.220 4.233 1.00 0.00 O ATOM 1075 CB VAL A 68 -11.058 -16.576 6.840 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.391 -15.947 7.213 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -11.154 -18.094 6.853 1.00 0.00 C ATOM 0 H VAL A 68 -11.426 -14.196 5.055 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.571 -16.419 5.283 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.321 -16.274 7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.704 -16.312 8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.285 -14.863 7.247 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.141 -16.215 6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.485 -18.429 7.836 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.870 -18.420 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.176 -18.522 6.634 1.00 0.00 H new ATOM 1087 N HIS A 69 -11.001 -17.633 3.645 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.775 -18.270 2.586 1.00 0.00 C ATOM 1089 C HIS A 69 -12.336 -19.609 3.053 1.00 0.00 C ATOM 1090 O HIS A 69 -11.590 -20.495 3.467 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.908 -18.472 1.343 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.526 -19.378 0.323 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -12.719 -19.312 -0.313 1.00 0.00 N flip ATOM 1094 CD2 HIS A 69 -10.903 -20.513 -0.152 1.00 0.00 C flip ATOM 1095 CE1 HIS A 69 -12.794 -20.397 -1.152 1.00 0.00 C flip ATOM 1096 NE2 HIS A 69 -11.685 -21.105 -1.036 1.00 0.00 N flip ATOM 0 H HIS A 69 -10.057 -18.003 3.759 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.609 -17.615 2.335 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.712 -17.502 0.885 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.944 -18.882 1.645 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -13.430 -18.591 -0.192 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.928 -20.863 0.152 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -13.625 -20.633 -1.801 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.656 -19.749 2.985 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.294 -20.983 3.405 1.00 0.00 C ATOM 1107 C GLY A 70 -15.033 -21.669 2.273 1.00 0.00 C ATOM 1108 O GLY A 70 -16.259 -21.777 2.298 1.00 0.00 O ATOM 0 H GLY A 70 -14.295 -19.030 2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.540 -21.660 3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.993 -20.770 4.214 1.00 0.00 H new ATOM 1112 N ASP A 71 -14.286 -22.131 1.276 1.00 0.00 N ATOM 1113 CA ASP A 71 -14.878 -22.809 0.129 1.00 0.00 C ATOM 1114 C ASP A 71 -16.008 -23.735 0.568 1.00 0.00 C ATOM 1115 O ASP A 71 -17.091 -23.730 -0.015 1.00 0.00 O ATOM 1116 CB ASP A 71 -13.812 -23.607 -0.624 1.00 0.00 C ATOM 1117 CG ASP A 71 -14.142 -23.769 -2.095 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -15.333 -23.959 -2.419 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -13.208 -23.706 -2.923 1.00 0.00 O ATOM 0 H ASP A 71 -13.270 -22.048 1.239 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.292 -22.051 -0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.849 -23.106 -0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.709 -24.591 -0.167 1.00 0.00 H new ATOM 1124 N GLY A 72 -15.747 -24.531 1.601 1.00 0.00 N ATOM 1125 CA GLY A 72 -16.751 -25.453 2.100 1.00 0.00 C ATOM 1126 C GLY A 72 -16.550 -25.792 3.563 1.00 0.00 C ATOM 1127 O GLY A 72 -17.497 -25.765 4.350 1.00 0.00 O ATOM 0 H GLY A 72 -14.858 -24.554 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -17.740 -25.016 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.723 -26.370 1.511 1.00 0.00 H new ATOM 1131 N HIS A 73 -15.314 -26.115 3.930 1.00 0.00 N ATOM 1132 CA HIS A 73 -14.992 -26.463 5.309 1.00 0.00 C ATOM 1133 C HIS A 73 -13.545 -26.105 5.636 1.00 0.00 C ATOM 1134 O HIS A 73 -12.838 -25.523 4.814 1.00 0.00 O ATOM 1135 CB HIS A 73 -15.227 -27.954 5.550 1.00 0.00 C ATOM 1136 CG HIS A 73 -16.634 -28.282 5.946 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -17.783 -28.262 5.230 1.00 0.00 N flip ATOM 1138 CD2 HIS A 73 -16.983 -28.688 7.217 1.00 0.00 C flip ATOM 1139 CE1 HIS A 73 -18.794 -28.652 6.073 1.00 0.00 C flip ATOM 1140 NE2 HIS A 73 -18.285 -28.904 7.265 1.00 0.00 N flip ATOM 0 H HIS A 73 -14.519 -26.143 3.291 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.647 -25.889 5.964 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -14.976 -28.504 4.643 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -14.549 -28.299 6.330 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -17.879 -28.005 4.248 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -16.299 -28.810 8.044 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -19.837 -28.739 5.805 1.00 0.00 H new ATOM 1149 N ALA A 74 -13.112 -26.456 6.843 1.00 0.00 N ATOM 1150 CA ALA A 74 -11.750 -26.172 7.278 1.00 0.00 C ATOM 1151 C ALA A 74 -10.730 -26.758 6.306 1.00 0.00 C ATOM 1152 O ALA A 74 -9.729 -26.120 5.985 1.00 0.00 O ATOM 1153 CB ALA A 74 -11.519 -26.717 8.679 1.00 0.00 C ATOM 0 H ALA A 74 -13.685 -26.937 7.536 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.618 -25.090 7.294 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.498 -26.498 8.991 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.218 -26.249 9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.675 -27.796 8.680 1.00 0.00 H new ATOM 1159 N GLU A 75 -10.993 -27.976 5.843 1.00 0.00 N ATOM 1160 CA GLU A 75 -10.097 -28.647 4.909 1.00 0.00 C ATOM 1161 C GLU A 75 -9.622 -27.685 3.824 1.00 0.00 C ATOM 1162 O GLU A 75 -8.435 -27.631 3.503 1.00 0.00 O ATOM 1163 CB GLU A 75 -10.796 -29.848 4.270 1.00 0.00 C ATOM 1164 CG GLU A 75 -9.837 -30.917 3.772 1.00 0.00 C ATOM 1165 CD GLU A 75 -10.383 -31.682 2.582 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -10.965 -31.043 1.681 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -10.227 -32.921 2.552 1.00 0.00 O ATOM 0 H GLU A 75 -11.818 -28.518 6.099 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.228 -28.996 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.475 -30.292 4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.405 -29.501 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.891 -30.451 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.625 -31.615 4.582 1.00 0.00 H new ATOM 1174 N ASN A 76 -10.558 -26.926 3.263 1.00 0.00 N ATOM 1175 CA ASN A 76 -10.236 -25.967 2.213 1.00 0.00 C ATOM 1176 C ASN A 76 -10.340 -24.536 2.733 1.00 0.00 C ATOM 1177 O ASN A 76 -10.767 -23.632 2.014 1.00 0.00 O ATOM 1178 CB ASN A 76 -11.171 -26.155 1.016 1.00 0.00 C ATOM 1179 CG ASN A 76 -12.633 -26.031 1.400 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -13.030 -25.085 2.080 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -13.443 -26.990 0.965 1.00 0.00 N ATOM 0 H ASN A 76 -11.545 -26.957 3.518 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.209 -26.146 1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.934 -25.413 0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.996 -27.135 0.572 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.437 -26.960 1.192 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.071 -27.756 0.404 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.946 -24.338 3.986 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.994 -23.018 4.604 1.00 0.00 C ATOM 1190 C LEU A 77 -8.590 -22.444 4.771 1.00 0.00 C ATOM 1191 O LEU A 77 -7.634 -23.178 5.022 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.692 -23.093 5.963 1.00 0.00 C ATOM 1193 CG LEU A 77 -11.033 -21.754 6.617 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.417 -21.289 6.192 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -10.947 -21.864 8.133 1.00 0.00 C ATOM 0 H LEU A 77 -9.590 -25.075 4.594 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.561 -22.358 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.614 -23.662 5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.055 -23.656 6.645 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.306 -21.013 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.642 -20.334 6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.444 -21.170 5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.158 -22.029 6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.193 -20.902 8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.651 -22.619 8.484 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.935 -22.151 8.420 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.475 -21.127 4.633 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.189 -20.454 4.772 1.00 0.00 C ATOM 1209 C VAL A 78 -7.351 -19.093 5.440 1.00 0.00 C ATOM 1210 O VAL A 78 -8.007 -18.201 4.902 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.503 -20.265 3.406 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.246 -19.420 3.551 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.180 -21.613 2.781 1.00 0.00 C ATOM 0 H VAL A 78 -9.256 -20.505 4.425 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.564 -21.091 5.398 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.191 -19.739 2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.775 -19.298 2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.510 -18.441 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.551 -19.915 4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.696 -21.460 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.511 -22.168 3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.101 -22.178 2.639 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.747 -18.940 6.614 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.824 -17.687 7.356 1.00 0.00 C ATOM 1225 C GLN A 79 -5.624 -16.798 7.049 1.00 0.00 C ATOM 1226 O GLN A 79 -4.476 -17.231 7.152 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.899 -17.963 8.858 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.009 -18.927 9.246 1.00 0.00 C ATOM 1229 CD GLN A 79 -7.528 -20.361 9.347 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -6.376 -20.665 9.036 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -8.410 -21.252 9.784 1.00 0.00 N ATOM 0 H GLN A 79 -6.199 -19.668 7.072 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.729 -17.165 7.045 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.944 -18.368 9.192 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.047 -17.020 9.385 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.432 -18.622 10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.810 -18.868 8.510 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.354 -20.956 10.031 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.143 -22.232 9.873 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.897 -15.554 6.672 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.838 -14.604 6.350 1.00 0.00 C ATOM 1242 C TRP A 80 -5.275 -13.177 6.659 1.00 0.00 C ATOM 1243 O TRP A 80 -6.360 -12.751 6.262 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.448 -14.724 4.876 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.389 -14.009 3.953 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.282 -12.722 3.510 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.580 -14.542 3.362 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.335 -12.422 2.679 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -7.145 -13.522 2.572 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -7.222 -15.781 3.423 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -8.321 -13.705 1.850 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -8.390 -15.961 2.706 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.929 -14.928 1.928 1.00 0.00 C ATOM 0 H TRP A 80 -6.842 -15.180 6.582 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.972 -14.840 6.968 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.443 -14.325 4.740 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.412 -15.778 4.602 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.487 -12.040 3.774 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.489 -11.526 2.217 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.813 -16.583 4.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.738 -12.910 1.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.896 -16.914 2.746 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.843 -15.101 1.379 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.425 -12.442 7.368 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.726 -11.062 7.730 1.00 0.00 C ATOM 1266 C GLU A 81 -4.247 -10.099 6.647 1.00 0.00 C ATOM 1267 O GLU A 81 -3.186 -10.292 6.055 1.00 0.00 O ATOM 1268 CB GLU A 81 -4.073 -10.708 9.068 1.00 0.00 C ATOM 1269 CG GLU A 81 -4.902 -11.112 10.275 1.00 0.00 C ATOM 1270 CD GLU A 81 -4.281 -10.666 11.585 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -3.164 -11.127 11.899 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -4.912 -9.856 12.295 1.00 0.00 O ATOM 0 H GLU A 81 -3.522 -12.779 7.703 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.808 -10.966 7.825 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.099 -11.194 9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.895 -9.633 9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.900 -10.683 10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.020 -12.196 10.284 1.00 0.00 H new ATOM 1279 N MET A 82 -5.038 -9.061 6.394 1.00 0.00 N ATOM 1280 CA MET A 82 -4.695 -8.067 5.384 1.00 0.00 C ATOM 1281 C MET A 82 -4.638 -6.670 5.993 1.00 0.00 C ATOM 1282 O MET A 82 -5.661 -5.999 6.123 1.00 0.00 O ATOM 1283 CB MET A 82 -5.712 -8.098 4.242 1.00 0.00 C ATOM 1284 CG MET A 82 -5.361 -9.086 3.141 1.00 0.00 C ATOM 1285 SD MET A 82 -6.526 -9.036 1.765 1.00 0.00 S ATOM 1286 CE MET A 82 -5.680 -7.923 0.646 1.00 0.00 C ATOM 0 H MET A 82 -5.921 -8.887 6.875 1.00 0.00 H new ATOM 0 HA MET A 82 -3.709 -8.312 4.989 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.692 -8.351 4.646 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.792 -7.100 3.811 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.359 -8.871 2.771 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.338 -10.094 3.556 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.935 -8.178 -0.383 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.986 -6.897 0.852 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.603 -8.015 0.786 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.437 -6.239 6.363 1.00 0.00 N ATOM 1297 CA GLU A 83 -3.249 -4.921 6.959 1.00 0.00 C ATOM 1298 C GLU A 83 -2.699 -3.934 5.934 1.00 0.00 C ATOM 1299 O GLU A 83 -1.744 -4.233 5.217 1.00 0.00 O ATOM 1300 CB GLU A 83 -2.301 -5.010 8.157 1.00 0.00 C ATOM 1301 CG GLU A 83 -2.267 -3.746 9.001 1.00 0.00 C ATOM 1302 CD GLU A 83 -1.178 -3.778 10.055 1.00 0.00 C ATOM 1303 OE1 GLU A 83 -0.040 -3.370 9.746 1.00 0.00 O ATOM 1304 OE2 GLU A 83 -1.466 -4.210 11.191 1.00 0.00 O ATOM 0 H GLU A 83 -2.580 -6.782 6.261 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.220 -4.562 7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.601 -5.849 8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.294 -5.224 7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.114 -2.884 8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.234 -3.612 9.487 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.310 -2.755 5.870 1.00 0.00 N ATOM 1312 CA VAL A 84 -2.883 -1.722 4.933 1.00 0.00 C ATOM 1313 C VAL A 84 -1.699 -0.936 5.486 1.00 0.00 C ATOM 1314 O VAL A 84 -1.776 -0.360 6.572 1.00 0.00 O ATOM 1315 CB VAL A 84 -4.030 -0.746 4.613 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -3.562 0.328 3.643 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.228 -1.497 4.052 1.00 0.00 C ATOM 0 H VAL A 84 -4.102 -2.491 6.456 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.583 -2.229 4.016 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.337 -0.258 5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.386 1.009 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.737 0.885 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.227 -0.139 2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.029 -0.791 3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.938 -2.014 3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.577 -2.225 4.785 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.607 -0.914 4.731 1.00 0.00 N ATOM 1328 CA CYS A 85 0.595 -0.198 5.144 1.00 0.00 C ATOM 1329 C CYS A 85 1.431 0.205 3.934 1.00 0.00 C ATOM 1330 O CYS A 85 1.859 -0.643 3.151 1.00 0.00 O ATOM 1331 CB CYS A 85 1.429 -1.062 6.091 1.00 0.00 C ATOM 1332 SG CYS A 85 1.948 -2.643 5.383 1.00 0.00 S ATOM 0 H CYS A 85 -0.529 -1.384 3.829 1.00 0.00 H new ATOM 0 HA CYS A 85 0.287 0.707 5.667 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.315 -0.502 6.391 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.851 -1.253 6.995 1.00 0.00 H new ATOM 0 HG CYS A 85 2.143 -2.503 4.105 1.00 0.00 H new ATOM 1466 N ASN A 93 0.654 2.692 -1.262 1.00 0.00 N ATOM 1467 CA ASN A 93 0.000 1.741 -0.370 1.00 0.00 C ATOM 1468 C ASN A 93 0.500 0.323 -0.626 1.00 0.00 C ATOM 1469 O ASN A 93 0.606 -0.112 -1.772 1.00 0.00 O ATOM 1470 CB ASN A 93 -1.518 1.800 -0.552 1.00 0.00 C ATOM 1471 CG ASN A 93 -2.128 3.035 0.083 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -2.843 3.794 -0.572 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -1.849 3.242 1.364 1.00 0.00 N ATOM 0 HA ASN A 93 0.247 2.014 0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.755 1.787 -1.616 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.969 0.909 -0.114 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.232 4.056 1.844 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.252 2.587 1.868 1.00 0.00 H new ATOM 1480 N GLY A 94 0.804 -0.395 0.452 1.00 0.00 N ATOM 1481 CA GLY A 94 1.288 -1.757 0.323 1.00 0.00 C ATOM 1482 C GLY A 94 0.432 -2.751 1.083 1.00 0.00 C ATOM 1483 O GLY A 94 0.289 -2.652 2.302 1.00 0.00 O ATOM 0 H GLY A 94 0.724 -0.058 1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.310 -2.033 -0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.313 -1.811 0.689 1.00 0.00 H new ATOM 1487 N VAL A 95 -0.139 -3.710 0.363 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.986 -4.726 0.978 1.00 0.00 C ATOM 1489 C VAL A 95 -0.207 -6.011 1.232 1.00 0.00 C ATOM 1490 O VAL A 95 0.119 -6.747 0.300 1.00 0.00 O ATOM 1491 CB VAL A 95 -2.208 -5.046 0.096 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -3.066 -6.123 0.743 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -3.023 -3.787 -0.160 1.00 0.00 C ATOM 0 H VAL A 95 -0.031 -3.806 -0.647 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.329 -4.319 1.929 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.854 -5.424 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.924 -6.336 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.476 -7.030 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.414 -5.776 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.882 -4.031 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.369 -3.378 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.403 -3.049 -0.669 1.00 0.00 H new ATOM 1503 N ARG A 96 0.090 -6.276 2.500 1.00 0.00 N ATOM 1504 CA ARG A 96 0.832 -7.473 2.878 1.00 0.00 C ATOM 1505 C ARG A 96 -0.118 -8.621 3.207 1.00 0.00 C ATOM 1506 O ARG A 96 -1.260 -8.399 3.610 1.00 0.00 O ATOM 1507 CB ARG A 96 1.733 -7.182 4.079 1.00 0.00 C ATOM 1508 CG ARG A 96 2.533 -8.387 4.546 1.00 0.00 C ATOM 1509 CD ARG A 96 3.859 -7.970 5.163 1.00 0.00 C ATOM 1510 NE ARG A 96 3.677 -7.038 6.273 1.00 0.00 N ATOM 1511 CZ ARG A 96 3.412 -7.420 7.518 1.00 0.00 C ATOM 1512 NH1 ARG A 96 3.299 -8.709 7.809 1.00 0.00 N ATOM 1513 NH2 ARG A 96 3.260 -6.513 8.473 1.00 0.00 N ATOM 0 H ARG A 96 -0.172 -5.678 3.283 1.00 0.00 H new ATOM 0 HA ARG A 96 1.451 -7.769 2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.421 -6.378 3.820 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.119 -6.822 4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.952 -8.950 5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.716 -9.053 3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.389 -8.855 5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.484 -7.507 4.400 1.00 0.00 H new ATOM 0 HE ARG A 96 3.758 -6.039 6.082 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.416 -9.409 7.077 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.096 -9.000 8.765 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.346 -5.521 8.253 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.057 -6.807 9.428 1.00 0.00 H new ATOM 1527 N PHE A 97 0.361 -9.847 3.031 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.445 -11.030 3.307 1.00 0.00 C ATOM 1529 C PHE A 97 0.226 -11.914 4.355 1.00 0.00 C ATOM 1530 O PHE A 97 1.256 -12.536 4.092 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.675 -11.829 2.023 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.793 -11.291 1.175 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.651 -10.091 0.498 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.986 -11.987 1.057 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.678 -9.594 -0.283 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -4.015 -11.495 0.277 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.862 -10.297 -0.393 1.00 0.00 C ATOM 0 H PHE A 97 1.304 -10.048 2.698 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.407 -10.699 3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.245 -11.834 1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.893 -12.865 2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.728 -9.537 0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.112 -12.923 1.580 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.555 -8.657 -0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.939 -12.047 0.191 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.666 -9.911 -1.002 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.364 -11.963 5.544 1.00 0.00 N ATOM 1548 CA LYS A 98 0.175 -12.770 6.633 1.00 0.00 C ATOM 1549 C LYS A 98 -0.542 -14.114 6.721 1.00 0.00 C ATOM 1550 O LYS A 98 -1.757 -14.168 6.913 1.00 0.00 O ATOM 1551 CB LYS A 98 0.044 -12.022 7.962 1.00 0.00 C ATOM 1552 CG LYS A 98 0.748 -12.710 9.119 1.00 0.00 C ATOM 1553 CD LYS A 98 1.071 -11.732 10.236 1.00 0.00 C ATOM 1554 CE LYS A 98 1.094 -12.422 11.591 1.00 0.00 C ATOM 1555 NZ LYS A 98 2.294 -13.288 11.752 1.00 0.00 N ATOM 0 H LYS A 98 -1.216 -11.453 5.779 1.00 0.00 H new ATOM 0 HA LYS A 98 1.230 -12.954 6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.451 -11.018 7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.013 -11.912 8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.117 -13.510 9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.668 -13.173 8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.039 -11.268 10.046 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.331 -10.932 10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.079 -11.671 12.381 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.193 -13.025 11.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.273 -13.740 12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.295 -14.020 11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.154 -12.709 11.667 1.00 0.00 H new ATOM 1569 N ARG A 99 0.218 -15.195 6.580 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.345 -16.538 6.644 1.00 0.00 C ATOM 1571 C ARG A 99 -0.677 -16.921 8.083 1.00 0.00 C ATOM 1572 O ARG A 99 0.200 -17.332 8.844 1.00 0.00 O ATOM 1573 CB ARG A 99 0.633 -17.553 6.047 1.00 0.00 C ATOM 1574 CG ARG A 99 0.008 -18.910 5.769 1.00 0.00 C ATOM 1575 CD ARG A 99 0.873 -19.741 4.835 1.00 0.00 C ATOM 1576 NE ARG A 99 2.100 -20.194 5.484 1.00 0.00 N ATOM 1577 CZ ARG A 99 2.127 -21.098 6.456 1.00 0.00 C ATOM 1578 NH1 ARG A 99 0.999 -21.643 6.890 1.00 0.00 N ATOM 1579 NH2 ARG A 99 3.284 -21.459 6.997 1.00 0.00 N ATOM 0 H ARG A 99 1.225 -15.167 6.421 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.267 -16.546 6.063 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.038 -17.152 5.118 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.472 -17.682 6.731 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.134 -19.445 6.708 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.979 -18.774 5.327 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.306 -20.605 4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.125 -19.151 3.954 1.00 0.00 H new ATOM 0 HE ARG A 99 2.985 -19.794 5.173 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.108 -21.368 6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.022 -22.337 7.637 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.154 -21.042 6.666 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.303 -22.154 7.744 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.947 -16.782 8.449 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.393 -17.114 9.796 1.00 0.00 C ATOM 1595 C ILE A 100 -2.344 -18.619 10.037 1.00 0.00 C ATOM 1596 O ILE A 100 -1.710 -19.086 10.983 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.826 -16.611 10.054 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.894 -15.092 9.885 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.287 -17.016 11.446 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -3.368 -14.327 11.080 1.00 0.00 C ATOM 0 H ILE A 100 -2.684 -16.442 7.832 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.711 -16.616 10.485 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.493 -17.069 9.324 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.323 -14.807 9.001 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.929 -14.801 9.704 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.301 -16.653 11.613 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.271 -18.102 11.533 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.619 -16.583 12.191 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.447 -13.257 10.890 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.954 -14.583 11.963 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.324 -14.590 11.249 1.00 0.00 H new ATOM 1612 N SER A 101 -3.016 -19.373 9.173 1.00 0.00 N ATOM 1613 CA SER A 101 -3.051 -20.826 9.292 1.00 0.00 C ATOM 1614 C SER A 101 -3.659 -21.459 8.044 1.00 0.00 C ATOM 1615 O SER A 101 -4.335 -20.792 7.263 1.00 0.00 O ATOM 1616 CB SER A 101 -3.851 -21.238 10.529 1.00 0.00 C ATOM 1617 OG SER A 101 -3.023 -21.295 11.677 1.00 0.00 O ATOM 0 H SER A 101 -3.544 -19.002 8.383 1.00 0.00 H new ATOM 0 HA SER A 101 -2.026 -21.182 9.396 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.660 -20.527 10.696 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.311 -22.211 10.360 1.00 0.00 H new ATOM 0 HG SER A 101 -2.571 -20.434 11.798 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.412 -22.753 7.864 1.00 0.00 N ATOM 1624 CA GLY A 102 -3.942 -23.456 6.710 1.00 0.00 C ATOM 1625 C GLY A 102 -2.850 -24.031 5.831 1.00 0.00 C ATOM 1626 O GLY A 102 -1.771 -24.377 6.313 1.00 0.00 O ATOM 0 H GLY A 102 -2.854 -23.327 8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.595 -24.261 7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.556 -22.773 6.122 1.00 0.00 H new ATOM 1630 N THR A 103 -3.130 -24.137 4.535 1.00 0.00 N ATOM 1631 CA THR A 103 -2.164 -24.677 3.586 1.00 0.00 C ATOM 1632 C THR A 103 -1.581 -23.576 2.708 1.00 0.00 C ATOM 1633 O THR A 103 -2.243 -22.577 2.428 1.00 0.00 O ATOM 1634 CB THR A 103 -2.802 -25.753 2.687 1.00 0.00 C ATOM 1635 OG1 THR A 103 -3.822 -25.166 1.870 1.00 0.00 O ATOM 1636 CG2 THR A 103 -3.399 -26.874 3.523 1.00 0.00 C ATOM 0 H THR A 103 -4.018 -23.856 4.119 1.00 0.00 H new ATOM 0 HA THR A 103 -1.365 -25.131 4.172 1.00 0.00 H new ATOM 0 HB THR A 103 -2.022 -26.172 2.051 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.222 -25.856 1.300 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.843 -27.621 2.865 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.616 -27.338 4.122 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.167 -26.468 4.181 1.00 0.00 H new ATOM 1644 N SER A 104 -0.339 -23.766 2.276 1.00 0.00 N ATOM 1645 CA SER A 104 0.335 -22.787 1.431 1.00 0.00 C ATOM 1646 C SER A 104 -0.321 -22.713 0.056 1.00 0.00 C ATOM 1647 O SER A 104 -0.617 -21.628 -0.446 1.00 0.00 O ATOM 1648 CB SER A 104 1.816 -23.141 1.284 1.00 0.00 C ATOM 1649 OG SER A 104 2.412 -23.376 2.548 1.00 0.00 O ATOM 0 H SER A 104 0.221 -24.589 2.497 1.00 0.00 H new ATOM 0 HA SER A 104 0.248 -21.811 1.909 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.921 -24.027 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.339 -22.330 0.777 1.00 0.00 H new ATOM 0 HG SER A 104 3.358 -23.602 2.427 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.545 -23.875 -0.549 1.00 0.00 N ATOM 1656 CA ILE A 105 -1.167 -23.944 -1.866 1.00 0.00 C ATOM 1657 C ILE A 105 -2.345 -22.981 -1.968 1.00 0.00 C ATOM 1658 O ILE A 105 -2.286 -21.985 -2.688 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.653 -25.370 -2.185 1.00 0.00 C ATOM 1660 CG1 ILE A 105 -0.463 -26.323 -2.305 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -2.474 -25.374 -3.466 1.00 0.00 C ATOM 1662 CD1 ILE A 105 0.346 -26.124 -3.568 1.00 0.00 C ATOM 0 H ILE A 105 -0.305 -24.782 -0.148 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.405 -23.659 -2.591 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.288 -25.714 -1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.188 -26.189 -1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.826 -27.350 -2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.811 -26.389 -3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.339 -24.722 -3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.861 -25.014 -4.292 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.173 -26.834 -3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.291 -26.287 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.739 -25.108 -3.592 1.00 0.00 H new ATOM 1674 N ALA A 106 -3.415 -23.285 -1.240 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.606 -22.446 -1.246 1.00 0.00 C ATOM 1676 C ALA A 106 -4.254 -20.991 -0.955 1.00 0.00 C ATOM 1677 O ALA A 106 -4.829 -20.073 -1.540 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.618 -22.958 -0.232 1.00 0.00 C ATOM 0 H ALA A 106 -3.481 -24.106 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.049 -22.494 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.503 -22.321 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.902 -23.980 -0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -5.176 -22.940 0.764 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.305 -20.787 -0.047 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.877 -19.443 0.323 1.00 0.00 C ATOM 1686 C PHE A 107 -2.511 -18.629 -0.915 1.00 0.00 C ATOM 1687 O PHE A 107 -2.961 -17.495 -1.082 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.681 -19.509 1.275 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.396 -18.209 1.971 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -2.165 -17.802 3.049 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.359 -17.394 1.547 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.906 -16.607 3.692 1.00 0.00 C ATOM 1693 CE2 PHE A 107 -0.094 -16.198 2.187 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.869 -15.803 3.260 1.00 0.00 C ATOM 0 H PHE A 107 -2.818 -21.535 0.446 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.708 -18.951 0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.865 -20.280 2.023 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.797 -19.813 0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.977 -18.427 3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.249 -17.697 0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.513 -16.302 4.531 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.719 -15.573 1.848 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.665 -14.868 3.760 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.691 -19.215 -1.780 1.00 0.00 N ATOM 1705 CA LYS A 108 -1.263 -18.547 -3.004 1.00 0.00 C ATOM 1706 C LYS A 108 -2.363 -18.589 -4.060 1.00 0.00 C ATOM 1707 O LYS A 108 -2.683 -17.575 -4.677 1.00 0.00 O ATOM 1708 CB LYS A 108 0.008 -19.201 -3.549 1.00 0.00 C ATOM 1709 CG LYS A 108 1.255 -18.868 -2.749 1.00 0.00 C ATOM 1710 CD LYS A 108 2.338 -19.917 -2.941 1.00 0.00 C ATOM 1711 CE LYS A 108 2.890 -19.895 -4.358 1.00 0.00 C ATOM 1712 NZ LYS A 108 4.193 -20.610 -4.457 1.00 0.00 N ATOM 0 H LYS A 108 -1.309 -20.153 -1.656 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.053 -17.504 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.127 -20.283 -3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.154 -18.886 -4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.634 -17.893 -3.054 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.001 -18.795 -1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.147 -19.741 -2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.932 -20.905 -2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.171 -20.356 -5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.017 -18.862 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.536 -20.572 -5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 4.887 -20.155 -3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.067 -21.602 -4.172 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.939 -19.770 -4.260 1.00 0.00 N ATOM 1727 CA ASN A 109 -4.005 -19.944 -5.241 1.00 0.00 C ATOM 1728 C ASN A 109 -5.060 -18.851 -5.098 1.00 0.00 C ATOM 1729 O ASN A 109 -5.533 -18.298 -6.091 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.654 -21.320 -5.080 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.906 -22.404 -5.832 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -2.921 -23.007 -5.176 1.00 0.00 O flip ATOM 1733 ND2 ASN A 109 -4.211 -22.696 -6.988 1.00 0.00 N flip ATOM 0 H ASN A 109 -2.686 -20.620 -3.756 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.565 -19.871 -6.236 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.695 -21.578 -4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.683 -21.277 -5.438 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.975 -22.206 -7.453 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.700 -23.428 -7.481 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.422 -18.546 -3.857 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.419 -17.518 -3.584 1.00 0.00 C ATOM 1742 C ILE A 110 -5.802 -16.125 -3.639 1.00 0.00 C ATOM 1743 O ILE A 110 -6.389 -15.197 -4.196 1.00 0.00 O ATOM 1744 CB ILE A 110 -7.076 -17.722 -2.206 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.256 -16.764 -2.031 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -6.053 -17.519 -1.097 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.457 -17.125 -2.876 1.00 0.00 C ATOM 0 H ILE A 110 -5.040 -18.996 -3.025 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.182 -17.606 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.451 -18.744 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.551 -16.751 -0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.934 -15.754 -2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.532 -17.666 -0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.242 -18.238 -1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.652 -16.507 -1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.255 -16.403 -2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.178 -17.110 -3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.805 -18.122 -2.607 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.615 -15.986 -3.060 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.916 -14.707 -3.047 1.00 0.00 C ATOM 1761 C ALA A 111 -3.899 -14.076 -4.435 1.00 0.00 C ATOM 1762 O ALA A 111 -4.189 -12.890 -4.592 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.496 -14.886 -2.529 1.00 0.00 C ATOM 0 H ALA A 111 -4.117 -16.744 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.453 -14.035 -2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.986 -13.923 -2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.526 -15.285 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.957 -15.579 -3.176 1.00 0.00 H new ATOM 1769 N SER A 112 -3.556 -14.877 -5.439 1.00 0.00 N ATOM 1770 CA SER A 112 -3.497 -14.395 -6.814 1.00 0.00 C ATOM 1771 C SER A 112 -4.809 -13.727 -7.213 1.00 0.00 C ATOM 1772 O SER A 112 -4.817 -12.625 -7.762 1.00 0.00 O ATOM 1773 CB SER A 112 -3.189 -15.551 -7.769 1.00 0.00 C ATOM 1774 OG SER A 112 -2.767 -15.069 -9.033 1.00 0.00 O ATOM 0 H SER A 112 -3.315 -15.862 -5.326 1.00 0.00 H new ATOM 0 HA SER A 112 -2.699 -13.656 -6.880 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.413 -16.184 -7.340 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.076 -16.173 -7.891 1.00 0.00 H new ATOM 0 HG SER A 112 -2.575 -15.826 -9.624 1.00 0.00 H new ATOM 1780 N LYS A 113 -5.919 -14.402 -6.932 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.238 -13.875 -7.259 1.00 0.00 C ATOM 1782 C LYS A 113 -7.462 -12.519 -6.598 1.00 0.00 C ATOM 1783 O LYS A 113 -7.675 -11.514 -7.278 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.326 -14.856 -6.815 1.00 0.00 C ATOM 1785 CG LYS A 113 -8.281 -16.186 -7.547 1.00 0.00 C ATOM 1786 CD LYS A 113 -9.031 -17.267 -6.786 1.00 0.00 C ATOM 1787 CE LYS A 113 -9.162 -18.539 -7.610 1.00 0.00 C ATOM 1788 NZ LYS A 113 -10.174 -18.396 -8.693 1.00 0.00 N ATOM 0 H LYS A 113 -5.931 -15.315 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.292 -13.746 -8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.226 -15.036 -5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.303 -14.398 -6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -8.715 -16.071 -8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.244 -16.491 -7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.509 -17.487 -5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -10.022 -16.903 -6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -8.195 -18.790 -8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -9.442 -19.367 -6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -10.320 -19.316 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -11.073 -18.066 -8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.837 -17.706 -9.394 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.410 -12.497 -5.270 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.604 -11.263 -4.519 1.00 0.00 C ATOM 1804 C ILE A 114 -6.832 -10.108 -5.149 1.00 0.00 C ATOM 1805 O ILE A 114 -7.324 -8.983 -5.217 1.00 0.00 O ATOM 1806 CB ILE A 114 -7.163 -11.421 -3.052 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.907 -12.587 -2.396 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.406 -10.131 -2.284 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.391 -12.340 -2.232 1.00 0.00 C ATOM 0 H ILE A 114 -7.235 -13.319 -4.693 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.671 -11.042 -4.547 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.095 -11.638 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.760 -13.485 -2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.469 -12.783 -1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -7.089 -10.259 -1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.835 -9.322 -2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.468 -9.886 -2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.854 -13.207 -1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.547 -11.461 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.843 -12.174 -3.210 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.619 -10.397 -5.609 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.779 -9.384 -6.236 1.00 0.00 C ATOM 1823 C ALA A 115 -5.342 -8.967 -7.591 1.00 0.00 C ATOM 1824 O ALA A 115 -5.716 -7.812 -7.788 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.356 -9.900 -6.390 1.00 0.00 C ATOM 0 H ALA A 115 -5.196 -11.324 -5.559 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.767 -8.506 -5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.740 -9.133 -6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.949 -10.142 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.359 -10.795 -7.012 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.398 -9.915 -8.521 1.00 0.00 N ATOM 1832 CA ASN A 116 -5.914 -9.644 -9.857 1.00 0.00 C ATOM 1833 C ASN A 116 -7.194 -8.817 -9.789 1.00 0.00 C ATOM 1834 O ASN A 116 -7.365 -7.859 -10.542 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.180 -10.956 -10.599 1.00 0.00 C ATOM 1836 CG ASN A 116 -4.901 -11.636 -11.048 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -4.024 -11.005 -11.639 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -4.789 -12.929 -10.769 1.00 0.00 N ATOM 0 H ASN A 116 -5.092 -10.877 -8.374 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.162 -9.072 -10.401 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.738 -11.631 -9.950 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -6.807 -10.758 -11.468 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -3.951 -13.440 -11.046 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -5.541 -13.412 -10.277 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.089 -9.196 -8.882 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.353 -8.488 -8.717 1.00 0.00 C ATOM 1847 C GLU A 117 -9.119 -7.058 -8.238 1.00 0.00 C ATOM 1848 O GLU A 117 -9.814 -6.130 -8.654 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.251 -9.229 -7.723 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.596 -10.645 -8.153 1.00 0.00 C ATOM 1851 CD GLU A 117 -10.939 -10.740 -9.627 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -12.081 -10.392 -9.994 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -10.066 -11.162 -10.413 1.00 0.00 O ATOM 0 H GLU A 117 -7.963 -9.988 -8.251 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.848 -8.451 -9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.754 -9.264 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.173 -8.664 -7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.753 -11.302 -7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.440 -11.004 -7.564 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.135 -6.888 -7.362 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.807 -5.572 -6.826 1.00 0.00 C ATOM 1862 C LEU A 118 -6.861 -4.823 -7.759 1.00 0.00 C ATOM 1863 O LEU A 118 -6.137 -3.922 -7.335 1.00 0.00 O ATOM 1864 CB LEU A 118 -7.173 -5.707 -5.440 1.00 0.00 C ATOM 1865 CG LEU A 118 -8.123 -6.081 -4.301 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.353 -6.704 -3.147 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.897 -4.859 -3.830 1.00 0.00 C ATOM 0 H LEU A 118 -7.550 -7.645 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.732 -5.001 -6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.388 -6.461 -5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.691 -4.762 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.836 -6.816 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.045 -6.964 -2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.844 -7.604 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.617 -5.992 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.568 -5.143 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.199 -4.101 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.479 -4.456 -4.658 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.873 -5.201 -9.033 1.00 0.00 N ATOM 1880 CA LYS A 119 -6.020 -4.565 -10.029 1.00 0.00 C ATOM 1881 C LYS A 119 -4.672 -4.181 -9.425 1.00 0.00 C ATOM 1882 O LYS A 119 -4.096 -3.149 -9.772 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.707 -3.322 -10.600 1.00 0.00 C ATOM 1884 CG LYS A 119 -7.862 -3.641 -11.532 1.00 0.00 C ATOM 1885 CD LYS A 119 -7.371 -4.185 -12.864 1.00 0.00 C ATOM 1886 CE LYS A 119 -8.474 -4.175 -13.911 1.00 0.00 C ATOM 1887 NZ LYS A 119 -9.400 -5.330 -13.752 1.00 0.00 N ATOM 0 H LYS A 119 -7.465 -5.946 -9.400 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.848 -5.280 -10.834 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -7.074 -2.709 -9.777 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.971 -2.725 -11.138 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.520 -4.371 -11.060 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.453 -2.741 -11.701 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.530 -3.587 -13.215 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.005 -5.203 -12.730 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -9.037 -3.245 -13.836 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.030 -4.200 -14.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -10.137 -5.287 -14.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.867 -6.218 -13.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.843 -5.293 -12.812 1.00 0.00 H new ATOM 1901 N LEU A 120 -4.175 -5.018 -8.521 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.893 -4.767 -7.870 1.00 0.00 C ATOM 1903 C LEU A 120 -1.737 -5.259 -8.736 1.00 0.00 C ATOM 1904 O LEU A 120 -1.949 -5.821 -9.810 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.850 -5.453 -6.504 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.896 -4.991 -5.488 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.836 -5.848 -4.233 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.692 -3.523 -5.144 1.00 0.00 C ATOM 0 H LEU A 120 -4.639 -5.876 -8.222 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.787 -3.691 -7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.968 -6.526 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.861 -5.299 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.884 -5.105 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.587 -5.505 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.031 -6.888 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.846 -5.766 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.445 -3.211 -4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.699 -3.384 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.786 -2.921 -6.048 1.00 0.00 H new ATOM 1920 N SER A 121 -0.515 -5.047 -8.258 1.00 0.00 N ATOM 1921 CA SER A 121 0.675 -5.467 -8.989 1.00 0.00 C ATOM 1922 C SER A 121 0.530 -6.903 -9.482 1.00 0.00 C ATOM 1923 O SER A 121 0.657 -7.178 -10.674 1.00 0.00 O ATOM 1924 CB SER A 121 1.914 -5.343 -8.101 1.00 0.00 C ATOM 1925 OG SER A 121 3.101 -5.523 -8.854 1.00 0.00 O ATOM 0 H SER A 121 -0.323 -4.587 -7.368 1.00 0.00 H new ATOM 0 HA SER A 121 0.790 -4.814 -9.854 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.927 -4.363 -7.624 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.869 -6.085 -7.304 1.00 0.00 H new ATOM 0 HG SER A 121 3.879 -5.437 -8.264 1.00 0.00 H new ATOM 1931 N GLY A 122 0.263 -7.817 -8.554 1.00 0.00 N ATOM 1932 CA GLY A 122 0.105 -9.215 -8.912 1.00 0.00 C ATOM 1933 C GLY A 122 1.407 -9.849 -9.359 1.00 0.00 C ATOM 1934 O GLY A 122 1.577 -10.216 -10.522 1.00 0.00 O ATOM 0 H GLY A 122 0.153 -7.614 -7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.288 -9.764 -8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.631 -9.301 -9.711 1.00 0.00 H new ATOM 1938 N PRO A 123 2.356 -9.985 -8.421 1.00 0.00 N ATOM 1939 CA PRO A 123 3.667 -10.578 -8.702 1.00 0.00 C ATOM 1940 C PRO A 123 3.580 -12.077 -8.970 1.00 0.00 C ATOM 1941 O PRO A 123 4.576 -12.716 -9.307 1.00 0.00 O ATOM 1942 CB PRO A 123 4.460 -10.309 -7.420 1.00 0.00 C ATOM 1943 CG PRO A 123 3.426 -10.184 -6.355 1.00 0.00 C ATOM 1944 CD PRO A 123 2.223 -9.570 -7.015 1.00 0.00 C ATOM 0 HA PRO A 123 4.122 -10.155 -9.598 1.00 0.00 H new ATOM 0 HB2 PRO A 123 5.153 -11.122 -7.205 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.053 -9.398 -7.505 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.183 -11.158 -5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.783 -9.559 -5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.294 -9.933 -6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.220 -8.485 -6.915 1.00 0.00 H new