USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 834 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 108 ASN : amide:sc= 0.526 K(o=1.1,f=-0.22) USER MOD Set 1.2: A 112 ASN : amide:sc= 0.583 K(o=1.1,f=0) USER MOD Set 2.1: A 35 HIS : no HD1:sc= 0.0134 X(o=0.041,f=0) USER MOD Set 2.2: A 145 TYR OH : rot 93:sc= 0.028 USER MOD Set 3.1: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 86 TYR OH : rot -96:sc= 0.147 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.024 F(o=-0.74!,f=-0.024) USER MOD Single : A 40 TYR OH : rot -178:sc= 0.392 USER MOD Single : A 50 SER OG : rot -54:sc= 1.19 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 54 GLN : amide:sc= -0.434 K(o=-0.43,f=-2.1) USER MOD Single : A 59 GLN : amide:sc= -0.0214 K(o=-0.021,f=-0.8) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.399! C(o=-0.4!,f=-1.6!) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.406 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -170:sc= -1.64 (180deg=-1.79) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN :FLIP amide:sc= -0.19 F(o=-1.3!,f=-0.19) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.111 K(o=-0.11,f=-6.8!) USER MOD Single : A 105 SER OG : rot 76:sc= 0.9 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -167:sc= -0.0531 (180deg=-0.23) USER MOD Single : A 122 SER OG : rot -55:sc= -0.222 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc=-0.00219 USER MOD Single : A 127 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 128 GLN : amide:sc= -0.0339 X(o=-0.034,f=-0.051) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 MET CE :methyl 175:sc= -4.1! (180deg=-4.23!) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 CYS SG : rot 111:sc= -1.73 USER MOD ----------------------------------------------------------------- ATOM 540 N LYS A 34 -9.840 0.503 -7.211 1.00 0.00 N ATOM 541 CA LYS A 34 -8.793 -0.403 -6.751 1.00 0.00 C ATOM 542 C LYS A 34 -8.413 -1.402 -7.840 1.00 0.00 C ATOM 543 O LYS A 34 -8.995 -1.403 -8.927 1.00 0.00 O ATOM 544 CB LYS A 34 -9.241 -1.160 -5.494 1.00 0.00 C ATOM 545 CG LYS A 34 -10.224 -2.290 -5.758 1.00 0.00 C ATOM 546 CD LYS A 34 -10.289 -3.240 -4.574 1.00 0.00 C ATOM 547 CE LYS A 34 -11.126 -4.472 -4.878 1.00 0.00 C ATOM 548 NZ LYS A 34 -12.570 -4.153 -5.030 1.00 0.00 N ATOM 0 HA LYS A 34 -7.919 0.203 -6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.361 -1.569 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.697 -0.452 -4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.214 -1.878 -5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.924 -2.837 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.280 -3.546 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.710 -2.719 -3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.762 -4.939 -5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.000 -5.200 -4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.098 -5.025 -5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.927 -3.732 -4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.696 -3.479 -5.812 1.00 0.00 H new ATOM 562 N HIS A 35 -7.434 -2.248 -7.543 1.00 0.00 N ATOM 563 CA HIS A 35 -7.011 -3.286 -8.471 1.00 0.00 C ATOM 564 C HIS A 35 -6.415 -4.469 -7.716 1.00 0.00 C ATOM 565 O HIS A 35 -5.379 -4.333 -7.073 1.00 0.00 O ATOM 566 CB HIS A 35 -5.981 -2.731 -9.462 1.00 0.00 C ATOM 567 CG HIS A 35 -5.584 -3.708 -10.533 1.00 0.00 C ATOM 568 ND1 HIS A 35 -6.178 -3.742 -11.776 1.00 0.00 N ATOM 569 CD2 HIS A 35 -4.647 -4.689 -10.540 1.00 0.00 C ATOM 570 CE1 HIS A 35 -5.629 -4.703 -12.498 1.00 0.00 C ATOM 571 NE2 HIS A 35 -4.698 -5.291 -11.771 1.00 0.00 N ATOM 0 H HIS A 35 -6.918 -2.234 -6.664 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.887 -3.626 -9.023 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.388 -1.836 -9.932 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.090 -2.425 -8.913 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.984 -4.948 -9.727 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.897 -4.963 -13.511 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.111 -6.068 -12.075 1.00 0.00 H new ATOM 580 N GLY A 36 -7.076 -5.615 -7.800 1.00 0.00 N ATOM 581 CA GLY A 36 -6.540 -6.835 -7.212 1.00 0.00 C ATOM 582 C GLY A 36 -6.711 -6.903 -5.705 1.00 0.00 C ATOM 583 O GLY A 36 -7.429 -6.092 -5.111 1.00 0.00 O ATOM 0 H GLY A 36 -7.977 -5.726 -8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.033 -7.695 -7.665 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.480 -6.911 -7.454 1.00 0.00 H new ATOM 587 N GLN A 37 -6.049 -7.880 -5.086 1.00 0.00 N ATOM 588 CA GLN A 37 -6.114 -8.061 -3.641 1.00 0.00 C ATOM 589 C GLN A 37 -4.789 -7.705 -2.986 1.00 0.00 C ATOM 590 O GLN A 37 -4.727 -6.825 -2.134 1.00 0.00 O ATOM 591 CB GLN A 37 -6.465 -9.506 -3.273 1.00 0.00 C ATOM 592 CG GLN A 37 -7.865 -9.936 -3.674 1.00 0.00 C ATOM 593 CD GLN A 37 -8.253 -11.294 -3.109 1.00 0.00 C ATOM 594 OE1 GLN A 37 -7.752 -11.622 -1.925 1.00 0.00 O flip ATOM 595 NE2 GLN A 37 -9.021 -12.035 -3.724 1.00 0.00 N flip ATOM 0 H GLN A 37 -5.460 -8.559 -5.567 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.896 -7.395 -3.276 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.744 -10.173 -3.746 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.355 -9.630 -2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.581 -9.188 -3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.932 -9.968 -4.761 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.387 -11.750 -4.632 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.291 -12.934 -3.325 1.00 0.00 H new ATOM 604 N PHE A 38 -3.730 -8.397 -3.391 1.00 0.00 N ATOM 605 CA PHE A 38 -2.425 -8.243 -2.758 1.00 0.00 C ATOM 606 C PHE A 38 -1.491 -7.433 -3.644 1.00 0.00 C ATOM 607 O PHE A 38 -0.824 -7.981 -4.522 1.00 0.00 O ATOM 608 CB PHE A 38 -1.799 -9.614 -2.478 1.00 0.00 C ATOM 609 CG PHE A 38 -2.662 -10.529 -1.662 1.00 0.00 C ATOM 610 CD1 PHE A 38 -2.676 -10.443 -0.281 1.00 0.00 C ATOM 611 CD2 PHE A 38 -3.455 -11.483 -2.278 1.00 0.00 C ATOM 612 CE1 PHE A 38 -3.465 -11.291 0.470 1.00 0.00 C ATOM 613 CE2 PHE A 38 -4.248 -12.332 -1.534 1.00 0.00 C ATOM 614 CZ PHE A 38 -4.252 -12.237 -0.157 1.00 0.00 C ATOM 0 H PHE A 38 -3.750 -9.071 -4.156 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.569 -7.715 -1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.572 -10.098 -3.428 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.851 -9.469 -1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.063 -9.705 0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.452 -11.563 -3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.467 -11.215 1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.864 -13.069 -2.028 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.870 -12.901 0.429 1.00 0.00 H new ATOM 624 N ILE A 39 -1.451 -6.130 -3.427 1.00 0.00 N ATOM 625 CA ILE A 39 -0.625 -5.252 -4.242 1.00 0.00 C ATOM 626 C ILE A 39 0.417 -4.536 -3.390 1.00 0.00 C ATOM 627 O ILE A 39 0.095 -3.908 -2.380 1.00 0.00 O ATOM 628 CB ILE A 39 -1.481 -4.198 -4.985 1.00 0.00 C ATOM 629 CG1 ILE A 39 -2.573 -4.872 -5.825 1.00 0.00 C ATOM 630 CG2 ILE A 39 -0.602 -3.321 -5.869 1.00 0.00 C ATOM 631 CD1 ILE A 39 -2.042 -5.753 -6.938 1.00 0.00 C ATOM 0 H ILE A 39 -1.979 -5.656 -2.695 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.122 -5.881 -4.977 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.963 -3.569 -4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.202 -5.474 -5.169 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.210 -4.101 -6.259 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.221 -2.586 -6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.135 -2.806 -5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.090 -3.942 -6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.877 -6.192 -7.484 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.438 -5.154 -7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.429 -6.547 -6.512 1.00 0.00 H new ATOM 643 N TYR A 40 1.669 -4.655 -3.784 1.00 0.00 N ATOM 644 CA TYR A 40 2.735 -3.890 -3.169 1.00 0.00 C ATOM 645 C TYR A 40 3.221 -2.837 -4.153 1.00 0.00 C ATOM 646 O TYR A 40 3.596 -3.159 -5.282 1.00 0.00 O ATOM 647 CB TYR A 40 3.885 -4.807 -2.747 1.00 0.00 C ATOM 648 CG TYR A 40 5.043 -4.069 -2.113 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.017 -3.722 -0.769 1.00 0.00 C ATOM 650 CD2 TYR A 40 6.158 -3.715 -2.862 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.072 -3.045 -0.188 1.00 0.00 C ATOM 652 CE2 TYR A 40 7.214 -3.038 -2.289 1.00 0.00 C ATOM 653 CZ TYR A 40 7.167 -2.706 -0.953 1.00 0.00 C ATOM 654 OH TYR A 40 8.218 -2.030 -0.383 1.00 0.00 O ATOM 0 H TYR A 40 1.974 -5.278 -4.532 1.00 0.00 H new ATOM 0 HA TYR A 40 2.357 -3.400 -2.272 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.508 -5.549 -2.043 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.245 -5.350 -3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.159 -3.985 -0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.199 -3.974 -3.910 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.039 -2.783 0.859 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.074 -2.769 -2.885 1.00 0.00 H new ATOM 0 HH TYR A 40 8.895 -1.841 -1.066 1.00 0.00 H new ATOM 664 N VAL A 41 3.197 -1.582 -3.736 1.00 0.00 N ATOM 665 CA VAL A 41 3.573 -0.493 -4.617 1.00 0.00 C ATOM 666 C VAL A 41 4.923 0.095 -4.231 1.00 0.00 C ATOM 667 O VAL A 41 5.222 0.306 -3.051 1.00 0.00 O ATOM 668 CB VAL A 41 2.504 0.622 -4.649 1.00 0.00 C ATOM 669 CG1 VAL A 41 1.233 0.120 -5.315 1.00 0.00 C ATOM 670 CG2 VAL A 41 2.212 1.150 -3.251 1.00 0.00 C ATOM 0 H VAL A 41 2.922 -1.294 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 41 3.650 -0.918 -5.618 1.00 0.00 H new ATOM 0 HB VAL A 41 2.899 1.450 -5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.490 0.918 -5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.455 -0.188 -6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.841 -0.730 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.456 1.933 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.846 0.337 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.125 1.558 -2.818 1.00 0.00 H new ATOM 680 N TRP A 42 5.744 0.329 -5.233 1.00 0.00 N ATOM 681 CA TRP A 42 7.039 0.946 -5.038 1.00 0.00 C ATOM 682 C TRP A 42 7.329 1.858 -6.221 1.00 0.00 C ATOM 683 O TRP A 42 6.554 1.892 -7.174 1.00 0.00 O ATOM 684 CB TRP A 42 8.132 -0.124 -4.890 1.00 0.00 C ATOM 685 CG TRP A 42 8.509 -0.796 -6.180 1.00 0.00 C ATOM 686 CD1 TRP A 42 7.703 -1.542 -6.990 1.00 0.00 C ATOM 687 CD2 TRP A 42 9.800 -0.783 -6.800 1.00 0.00 C ATOM 688 NE1 TRP A 42 8.413 -1.982 -8.082 1.00 0.00 N ATOM 689 CE2 TRP A 42 9.700 -1.532 -7.988 1.00 0.00 C ATOM 690 CE3 TRP A 42 11.029 -0.208 -6.470 1.00 0.00 C ATOM 691 CZ2 TRP A 42 10.782 -1.719 -8.844 1.00 0.00 C ATOM 692 CZ3 TRP A 42 12.104 -0.396 -7.320 1.00 0.00 C ATOM 693 CH2 TRP A 42 11.972 -1.145 -8.494 1.00 0.00 C ATOM 0 H TRP A 42 5.533 0.097 -6.204 1.00 0.00 H new ATOM 0 HA TRP A 42 7.031 1.534 -4.120 1.00 0.00 H new ATOM 0 HB2 TRP A 42 9.021 0.337 -4.459 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.791 -0.881 -4.184 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.661 -1.755 -6.801 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.039 -2.553 -8.840 1.00 0.00 H new ATOM 0 HE3 TRP A 42 11.138 0.374 -5.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.685 -2.297 -9.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 13.060 0.042 -7.073 1.00 0.00 H new ATOM 0 HH2 TRP A 42 12.829 -1.273 -9.138 1.00 0.00 H new ATOM 787 N SER A 50 0.804 7.881 -2.417 1.00 0.00 N ATOM 788 CA SER A 50 -0.236 7.449 -1.485 1.00 0.00 C ATOM 789 C SER A 50 -1.656 7.673 -2.021 1.00 0.00 C ATOM 790 O SER A 50 -2.616 7.134 -1.472 1.00 0.00 O ATOM 791 CB SER A 50 -0.053 8.187 -0.160 1.00 0.00 C ATOM 792 OG SER A 50 1.306 8.148 0.252 1.00 0.00 O ATOM 0 HA SER A 50 -0.126 6.373 -1.346 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.376 9.222 -0.267 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.683 7.733 0.605 1.00 0.00 H new ATOM 0 HG SER A 50 1.613 7.218 0.280 1.00 0.00 H new ATOM 798 N HIS A 51 -1.792 8.447 -3.094 1.00 0.00 N ATOM 799 CA HIS A 51 -3.116 8.772 -3.632 1.00 0.00 C ATOM 800 C HIS A 51 -3.863 7.514 -4.076 1.00 0.00 C ATOM 801 O HIS A 51 -5.078 7.414 -3.906 1.00 0.00 O ATOM 802 CB HIS A 51 -3.007 9.760 -4.799 1.00 0.00 C ATOM 803 CG HIS A 51 -4.336 10.170 -5.371 1.00 0.00 C ATOM 804 ND1 HIS A 51 -4.802 9.714 -6.584 1.00 0.00 N ATOM 805 CD2 HIS A 51 -5.297 11.001 -4.891 1.00 0.00 C ATOM 806 CE1 HIS A 51 -5.986 10.245 -6.828 1.00 0.00 C ATOM 807 NE2 HIS A 51 -6.310 11.028 -5.818 1.00 0.00 N ATOM 0 H HIS A 51 -1.012 8.859 -3.606 1.00 0.00 H new ATOM 0 HA HIS A 51 -3.686 9.241 -2.830 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.477 10.650 -4.461 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.405 9.311 -5.589 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.270 11.540 -3.955 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.588 10.068 -7.707 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.173 11.566 -5.738 1.00 0.00 H new ATOM 816 N LEU A 52 -3.138 6.547 -4.625 1.00 0.00 N ATOM 817 CA LEU A 52 -3.766 5.325 -5.110 1.00 0.00 C ATOM 818 C LEU A 52 -4.183 4.434 -3.942 1.00 0.00 C ATOM 819 O LEU A 52 -5.126 3.655 -4.055 1.00 0.00 O ATOM 820 CB LEU A 52 -2.844 4.585 -6.091 1.00 0.00 C ATOM 821 CG LEU A 52 -1.526 4.051 -5.520 1.00 0.00 C ATOM 822 CD1 LEU A 52 -1.686 2.619 -5.027 1.00 0.00 C ATOM 823 CD2 LEU A 52 -0.428 4.132 -6.569 1.00 0.00 C ATOM 0 H LEU A 52 -2.126 6.584 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.669 5.595 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.398 3.746 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.611 5.260 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.246 4.672 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.736 2.264 -4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.445 2.586 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.992 1.981 -5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.503 3.750 -6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.709 3.535 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.290 5.170 -6.872 1.00 0.00 H new ATOM 835 N LEU A 53 -3.484 4.570 -2.815 1.00 0.00 N ATOM 836 CA LEU A 53 -3.855 3.855 -1.598 1.00 0.00 C ATOM 837 C LEU A 53 -5.193 4.371 -1.086 1.00 0.00 C ATOM 838 O LEU A 53 -6.040 3.604 -0.634 1.00 0.00 O ATOM 839 CB LEU A 53 -2.788 4.017 -0.503 1.00 0.00 C ATOM 840 CG LEU A 53 -1.520 3.166 -0.658 1.00 0.00 C ATOM 841 CD1 LEU A 53 -0.654 3.664 -1.806 1.00 0.00 C ATOM 842 CD2 LEU A 53 -0.729 3.161 0.640 1.00 0.00 C ATOM 0 H LEU A 53 -2.662 5.166 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.934 2.795 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.494 5.066 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.245 3.779 0.458 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.826 2.146 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.236 3.039 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.220 3.614 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.357 4.696 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.168 2.554 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.444 4.181 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.343 2.744 1.438 1.00 0.00 H new ATOM 854 N GLN A 54 -5.369 5.682 -1.178 1.00 0.00 N ATOM 855 CA GLN A 54 -6.605 6.329 -0.761 1.00 0.00 C ATOM 856 C GLN A 54 -7.782 5.817 -1.588 1.00 0.00 C ATOM 857 O GLN A 54 -8.838 5.485 -1.046 1.00 0.00 O ATOM 858 CB GLN A 54 -6.471 7.846 -0.915 1.00 0.00 C ATOM 859 CG GLN A 54 -5.295 8.425 -0.144 1.00 0.00 C ATOM 860 CD GLN A 54 -5.043 9.889 -0.452 1.00 0.00 C ATOM 861 OE1 GLN A 54 -5.319 10.365 -1.555 1.00 0.00 O ATOM 862 NE2 GLN A 54 -4.498 10.607 0.517 1.00 0.00 N ATOM 0 H GLN A 54 -4.664 6.323 -1.541 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.792 6.091 0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.359 8.089 -1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.390 8.322 -0.574 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.478 8.311 0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.398 7.851 -0.377 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.285 10.173 1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.291 11.594 0.365 1.00 0.00 H new ATOM 871 N ALA A 55 -7.579 5.738 -2.900 1.00 0.00 N ATOM 872 CA ALA A 55 -8.609 5.258 -3.818 1.00 0.00 C ATOM 873 C ALA A 55 -8.960 3.803 -3.537 1.00 0.00 C ATOM 874 O ALA A 55 -10.127 3.409 -3.558 1.00 0.00 O ATOM 875 CB ALA A 55 -8.131 5.410 -5.250 1.00 0.00 C ATOM 0 H ALA A 55 -6.705 6.002 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.507 5.857 -3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.902 5.051 -5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.926 6.461 -5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.221 4.828 -5.393 1.00 0.00 H new ATOM 881 N TRP A 56 -7.927 3.022 -3.270 1.00 0.00 N ATOM 882 CA TRP A 56 -8.062 1.606 -2.962 1.00 0.00 C ATOM 883 C TRP A 56 -8.927 1.408 -1.714 1.00 0.00 C ATOM 884 O TRP A 56 -9.765 0.505 -1.661 1.00 0.00 O ATOM 885 CB TRP A 56 -6.656 1.033 -2.768 1.00 0.00 C ATOM 886 CG TRP A 56 -6.577 -0.455 -2.634 1.00 0.00 C ATOM 887 CD1 TRP A 56 -6.580 -1.375 -3.642 1.00 0.00 C ATOM 888 CD2 TRP A 56 -6.431 -1.189 -1.418 1.00 0.00 C ATOM 889 NE1 TRP A 56 -6.469 -2.641 -3.124 1.00 0.00 N ATOM 890 CE2 TRP A 56 -6.369 -2.553 -1.761 1.00 0.00 C ATOM 891 CE3 TRP A 56 -6.354 -0.829 -0.070 1.00 0.00 C ATOM 892 CZ2 TRP A 56 -6.230 -3.549 -0.805 1.00 0.00 C ATOM 893 CZ3 TRP A 56 -6.214 -1.819 0.877 1.00 0.00 C ATOM 894 CH2 TRP A 56 -6.151 -3.165 0.506 1.00 0.00 C ATOM 0 H TRP A 56 -6.963 3.354 -3.260 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.561 1.082 -3.777 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -6.039 1.337 -3.614 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.219 1.484 -1.877 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.658 -1.141 -4.693 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -6.462 -3.506 -3.665 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.403 0.209 0.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.186 -4.591 -1.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -6.152 -1.551 1.921 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.037 -3.919 1.271 1.00 0.00 H new ATOM 905 N VAL A 57 -8.739 2.283 -0.735 1.00 0.00 N ATOM 906 CA VAL A 57 -9.516 2.243 0.495 1.00 0.00 C ATOM 907 C VAL A 57 -10.948 2.721 0.255 1.00 0.00 C ATOM 908 O VAL A 57 -11.904 2.085 0.697 1.00 0.00 O ATOM 909 CB VAL A 57 -8.857 3.100 1.602 1.00 0.00 C ATOM 910 CG1 VAL A 57 -9.748 3.199 2.832 1.00 0.00 C ATOM 911 CG2 VAL A 57 -7.501 2.525 1.977 1.00 0.00 C ATOM 0 H VAL A 57 -8.050 3.034 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.543 1.205 0.828 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.719 4.107 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.255 3.808 3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.697 3.659 2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.931 2.201 3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.049 3.138 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.627 1.506 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.854 2.518 1.100 1.00 0.00 H new ATOM 921 N ALA A 58 -11.091 3.832 -0.465 1.00 0.00 N ATOM 922 CA ALA A 58 -12.406 4.410 -0.737 1.00 0.00 C ATOM 923 C ALA A 58 -13.277 3.448 -1.535 1.00 0.00 C ATOM 924 O ALA A 58 -14.480 3.333 -1.285 1.00 0.00 O ATOM 925 CB ALA A 58 -12.261 5.731 -1.475 1.00 0.00 C ATOM 0 H ALA A 58 -10.312 4.350 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.897 4.593 0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.249 6.149 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.686 6.428 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.744 5.565 -2.420 1.00 0.00 H new ATOM 931 N GLN A 59 -12.663 2.753 -2.489 1.00 0.00 N ATOM 932 CA GLN A 59 -13.368 1.750 -3.278 1.00 0.00 C ATOM 933 C GLN A 59 -13.961 0.684 -2.365 1.00 0.00 C ATOM 934 O GLN A 59 -15.115 0.288 -2.522 1.00 0.00 O ATOM 935 CB GLN A 59 -12.423 1.094 -4.288 1.00 0.00 C ATOM 936 CG GLN A 59 -13.108 0.068 -5.180 1.00 0.00 C ATOM 937 CD GLN A 59 -14.091 0.698 -6.148 1.00 0.00 C ATOM 938 OE1 GLN A 59 -13.893 1.823 -6.605 1.00 0.00 O ATOM 939 NE2 GLN A 59 -15.162 -0.015 -6.462 1.00 0.00 N ATOM 0 H GLN A 59 -11.679 2.867 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.172 2.247 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.977 1.868 -4.913 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.608 0.610 -3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -12.352 -0.481 -5.742 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -13.632 -0.657 -4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.291 -0.945 -6.062 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -15.858 0.365 -7.104 1.00 0.00 H new ATOM 948 N ALA A 60 -13.160 0.232 -1.409 1.00 0.00 N ATOM 949 CA ALA A 60 -13.597 -0.768 -0.443 1.00 0.00 C ATOM 950 C ALA A 60 -14.730 -0.238 0.427 1.00 0.00 C ATOM 951 O ALA A 60 -15.695 -0.950 0.714 1.00 0.00 O ATOM 952 CB ALA A 60 -12.430 -1.190 0.425 1.00 0.00 C ATOM 0 H ALA A 60 -12.198 0.545 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.971 -1.632 -0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.764 -1.938 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.645 -1.614 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.040 -0.322 0.957 1.00 0.00 H new ATOM 958 N LEU A 61 -14.602 1.016 0.835 1.00 0.00 N ATOM 959 CA LEU A 61 -15.597 1.665 1.681 1.00 0.00 C ATOM 960 C LEU A 61 -16.966 1.675 1.008 1.00 0.00 C ATOM 961 O LEU A 61 -17.982 1.410 1.650 1.00 0.00 O ATOM 962 CB LEU A 61 -15.159 3.094 2.009 1.00 0.00 C ATOM 963 CG LEU A 61 -13.891 3.206 2.859 1.00 0.00 C ATOM 964 CD1 LEU A 61 -13.544 4.665 3.105 1.00 0.00 C ATOM 965 CD2 LEU A 61 -14.064 2.470 4.180 1.00 0.00 C ATOM 0 H LEU A 61 -13.810 1.611 0.591 1.00 0.00 H new ATOM 0 HA LEU A 61 -15.679 1.096 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -15.000 3.632 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.973 3.596 2.531 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.070 2.742 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -12.640 4.727 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.376 5.165 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -14.366 5.151 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.152 2.561 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.898 2.904 4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.266 1.417 3.986 1.00 0.00 H new ATOM 977 N GLU A 62 -16.991 1.972 -0.287 1.00 0.00 N ATOM 978 CA GLU A 62 -18.242 1.983 -1.036 1.00 0.00 C ATOM 979 C GLU A 62 -18.714 0.570 -1.339 1.00 0.00 C ATOM 980 O GLU A 62 -19.909 0.323 -1.499 1.00 0.00 O ATOM 981 CB GLU A 62 -18.099 2.757 -2.336 1.00 0.00 C ATOM 982 CG GLU A 62 -17.920 4.245 -2.131 1.00 0.00 C ATOM 983 CD GLU A 62 -18.095 5.020 -3.415 1.00 0.00 C ATOM 984 OE1 GLU A 62 -19.166 4.884 -4.044 1.00 0.00 O ATOM 985 OE2 GLU A 62 -17.176 5.764 -3.803 1.00 0.00 O ATOM 0 H GLU A 62 -16.165 2.207 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.984 2.478 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.244 2.368 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.982 2.586 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.641 4.598 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.927 4.438 -1.724 1.00 0.00 H new ATOM 992 N ALA A 63 -17.767 -0.353 -1.423 1.00 0.00 N ATOM 993 CA ALA A 63 -18.075 -1.758 -1.669 1.00 0.00 C ATOM 994 C ALA A 63 -18.751 -2.391 -0.458 1.00 0.00 C ATOM 995 O ALA A 63 -19.280 -3.501 -0.537 1.00 0.00 O ATOM 996 CB ALA A 63 -16.812 -2.524 -2.030 1.00 0.00 C ATOM 0 H ALA A 63 -16.772 -0.154 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 63 -18.768 -1.809 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -17.060 -3.570 -2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.371 -2.095 -2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -16.098 -2.457 -1.209 1.00 0.00 H new ATOM 1002 N GLY A 64 -18.722 -1.681 0.662 1.00 0.00 N ATOM 1003 CA GLY A 64 -19.362 -2.164 1.865 1.00 0.00 C ATOM 1004 C GLY A 64 -18.455 -3.064 2.671 1.00 0.00 C ATOM 1005 O GLY A 64 -18.923 -3.895 3.447 1.00 0.00 O ATOM 0 H GLY A 64 -18.264 -0.775 0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.668 -1.316 2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.268 -2.708 1.599 1.00 0.00 H new ATOM 1009 N LYS A 65 -17.153 -2.903 2.487 1.00 0.00 N ATOM 1010 CA LYS A 65 -16.181 -3.708 3.195 1.00 0.00 C ATOM 1011 C LYS A 65 -15.267 -2.799 3.999 1.00 0.00 C ATOM 1012 O LYS A 65 -15.141 -1.612 3.701 1.00 0.00 O ATOM 1013 CB LYS A 65 -15.368 -4.564 2.218 1.00 0.00 C ATOM 1014 CG LYS A 65 -16.226 -5.467 1.342 1.00 0.00 C ATOM 1015 CD LYS A 65 -17.102 -6.389 2.176 1.00 0.00 C ATOM 1016 CE LYS A 65 -18.165 -7.068 1.325 1.00 0.00 C ATOM 1017 NZ LYS A 65 -19.160 -7.796 2.157 1.00 0.00 N ATOM 0 H LYS A 65 -16.748 -2.218 1.849 1.00 0.00 H new ATOM 0 HA LYS A 65 -16.703 -4.384 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.775 -3.909 1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.667 -5.179 2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.854 -4.856 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -15.584 -6.063 0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.482 -7.145 2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -17.581 -5.817 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -18.676 -6.321 0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -17.688 -7.765 0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -19.867 -8.245 1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -18.676 -8.526 2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -19.634 -7.127 2.797 1.00 0.00 H new ATOM 1031 N ASN A 66 -14.635 -3.359 5.011 1.00 0.00 N ATOM 1032 CA ASN A 66 -13.828 -2.568 5.928 1.00 0.00 C ATOM 1033 C ASN A 66 -12.433 -2.349 5.371 1.00 0.00 C ATOM 1034 O ASN A 66 -11.790 -3.284 4.890 1.00 0.00 O ATOM 1035 CB ASN A 66 -13.739 -3.251 7.293 1.00 0.00 C ATOM 1036 CG ASN A 66 -13.359 -2.284 8.403 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -13.568 -1.077 8.293 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -12.826 -2.811 9.495 1.00 0.00 N ATOM 0 H ASN A 66 -14.662 -4.357 5.222 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.312 -1.599 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.699 -3.711 7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.003 -4.054 7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.574 -2.211 10.280 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.667 -3.817 9.551 1.00 0.00 H new ATOM 1045 N ALA A 67 -11.969 -1.117 5.454 1.00 0.00 N ATOM 1046 CA ALA A 67 -10.663 -0.750 4.940 1.00 0.00 C ATOM 1047 C ALA A 67 -9.967 0.200 5.900 1.00 0.00 C ATOM 1048 O ALA A 67 -10.616 1.025 6.542 1.00 0.00 O ATOM 1049 CB ALA A 67 -10.798 -0.112 3.568 1.00 0.00 C ATOM 0 H ALA A 67 -12.484 -0.345 5.878 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.058 -1.652 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.811 0.159 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.265 -0.819 2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -11.416 0.783 3.642 1.00 0.00 H new ATOM 1055 N ALA A 68 -8.654 0.073 6.002 1.00 0.00 N ATOM 1056 CA ALA A 68 -7.872 0.919 6.888 1.00 0.00 C ATOM 1057 C ALA A 68 -6.728 1.585 6.137 1.00 0.00 C ATOM 1058 O ALA A 68 -5.902 0.910 5.519 1.00 0.00 O ATOM 1059 CB ALA A 68 -7.336 0.108 8.059 1.00 0.00 C ATOM 0 H ALA A 68 -8.106 -0.611 5.480 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.526 1.702 7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.753 0.756 8.713 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.169 -0.318 8.619 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.702 -0.696 7.685 1.00 0.00 H new ATOM 1065 N TYR A 69 -6.697 2.909 6.182 1.00 0.00 N ATOM 1066 CA TYR A 69 -5.626 3.677 5.563 1.00 0.00 C ATOM 1067 C TYR A 69 -4.685 4.205 6.644 1.00 0.00 C ATOM 1068 O TYR A 69 -5.048 5.104 7.404 1.00 0.00 O ATOM 1069 CB TYR A 69 -6.214 4.838 4.748 1.00 0.00 C ATOM 1070 CG TYR A 69 -5.175 5.712 4.077 1.00 0.00 C ATOM 1071 CD1 TYR A 69 -4.500 5.279 2.942 1.00 0.00 C ATOM 1072 CD2 TYR A 69 -4.873 6.972 4.579 1.00 0.00 C ATOM 1073 CE1 TYR A 69 -3.554 6.078 2.329 1.00 0.00 C ATOM 1074 CE2 TYR A 69 -3.931 7.776 3.969 1.00 0.00 C ATOM 1075 CZ TYR A 69 -3.273 7.325 2.847 1.00 0.00 C ATOM 1076 OH TYR A 69 -2.334 8.122 2.241 1.00 0.00 O ATOM 0 H TYR A 69 -7.407 3.477 6.644 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.063 3.033 4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.879 4.432 3.986 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -6.824 5.457 5.406 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.718 4.304 2.533 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.384 7.328 5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.037 5.728 1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.711 8.754 4.370 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.257 8.967 2.731 1.00 0.00 H new ATOM 1086 N ILE A 70 -3.492 3.633 6.729 1.00 0.00 N ATOM 1087 CA ILE A 70 -2.555 3.998 7.783 1.00 0.00 C ATOM 1088 C ILE A 70 -1.238 4.521 7.210 1.00 0.00 C ATOM 1089 O ILE A 70 -0.592 3.863 6.391 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.264 2.795 8.713 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.568 2.249 9.307 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -1.299 3.195 9.823 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -3.377 1.019 10.174 1.00 0.00 C ATOM 0 H ILE A 70 -3.151 2.919 6.085 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.026 4.793 8.360 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.797 2.008 8.120 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.041 3.031 9.901 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.253 2.007 8.495 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.107 2.336 10.466 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.361 3.536 9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.737 3.999 10.414 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.343 0.691 10.558 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.933 0.220 9.580 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.718 1.260 11.008 1.00 0.00 H new ATOM 1105 N ASP A 71 -0.854 5.714 7.641 1.00 0.00 N ATOM 1106 CA ASP A 71 0.440 6.281 7.292 1.00 0.00 C ATOM 1107 C ASP A 71 1.421 5.929 8.395 1.00 0.00 C ATOM 1108 O ASP A 71 1.433 6.579 9.432 1.00 0.00 O ATOM 1109 CB ASP A 71 0.370 7.809 7.164 1.00 0.00 C ATOM 1110 CG ASP A 71 -0.749 8.304 6.269 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -1.893 8.426 6.758 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -0.484 8.607 5.086 1.00 0.00 O ATOM 0 H ASP A 71 -1.426 6.312 8.238 1.00 0.00 H new ATOM 0 HA ASP A 71 0.754 5.874 6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.245 8.241 8.157 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.321 8.174 6.775 1.00 0.00 H new ATOM 1117 N ALA A 72 2.239 4.912 8.180 1.00 0.00 N ATOM 1118 CA ALA A 72 3.085 4.372 9.247 1.00 0.00 C ATOM 1119 C ALA A 72 4.055 5.412 9.813 1.00 0.00 C ATOM 1120 O ALA A 72 4.536 5.273 10.937 1.00 0.00 O ATOM 1121 CB ALA A 72 3.845 3.151 8.754 1.00 0.00 C ATOM 0 H ALA A 72 2.340 4.441 7.281 1.00 0.00 H new ATOM 0 HA ALA A 72 2.422 4.080 10.061 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.469 2.762 9.558 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.137 2.384 8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.475 3.431 7.909 1.00 0.00 H new ATOM 1127 N ALA A 73 4.338 6.457 9.044 1.00 0.00 N ATOM 1128 CA ALA A 73 5.267 7.489 9.486 1.00 0.00 C ATOM 1129 C ALA A 73 4.568 8.591 10.279 1.00 0.00 C ATOM 1130 O ALA A 73 5.213 9.513 10.776 1.00 0.00 O ATOM 1131 CB ALA A 73 6.006 8.079 8.297 1.00 0.00 C ATOM 0 H ALA A 73 3.940 6.611 8.117 1.00 0.00 H new ATOM 0 HA ALA A 73 5.985 7.015 10.155 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.696 8.848 8.643 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.564 7.293 7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.289 8.520 7.605 1.00 0.00 H new ATOM 1137 N SER A 74 3.255 8.497 10.404 1.00 0.00 N ATOM 1138 CA SER A 74 2.502 9.487 11.160 1.00 0.00 C ATOM 1139 C SER A 74 1.521 8.817 12.123 1.00 0.00 C ATOM 1140 O SER A 74 1.113 9.406 13.127 1.00 0.00 O ATOM 1141 CB SER A 74 1.758 10.419 10.201 1.00 0.00 C ATOM 1142 OG SER A 74 1.217 11.538 10.883 1.00 0.00 O ATOM 0 H SER A 74 2.691 7.752 9.996 1.00 0.00 H new ATOM 0 HA SER A 74 3.204 10.073 11.754 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.439 10.760 9.421 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.957 9.870 9.706 1.00 0.00 H new ATOM 0 HG SER A 74 0.749 12.116 10.244 1.00 0.00 H new ATOM 1148 N MET A 75 1.142 7.587 11.812 1.00 0.00 N ATOM 1149 CA MET A 75 0.204 6.837 12.630 1.00 0.00 C ATOM 1150 C MET A 75 0.744 5.435 12.882 1.00 0.00 C ATOM 1151 O MET A 75 1.385 4.848 12.012 1.00 0.00 O ATOM 1152 CB MET A 75 -1.161 6.761 11.938 1.00 0.00 C ATOM 1153 CG MET A 75 -1.873 8.102 11.858 1.00 0.00 C ATOM 1154 SD MET A 75 -3.557 7.971 11.221 1.00 0.00 S ATOM 1155 CE MET A 75 -3.256 7.351 9.568 1.00 0.00 C ATOM 0 H MET A 75 1.474 7.083 10.990 1.00 0.00 H new ATOM 0 HA MET A 75 0.081 7.347 13.585 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.028 6.368 10.930 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.793 6.054 12.475 1.00 0.00 H new ATOM 0 HG2 MET A 75 -1.900 8.552 12.850 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.300 8.774 11.219 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.181 7.387 8.992 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.500 7.967 9.080 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.903 6.321 9.624 1.00 0.00 H new ATOM 1165 N PRO A 76 0.506 4.888 14.081 1.00 0.00 N ATOM 1166 CA PRO A 76 1.011 3.569 14.452 1.00 0.00 C ATOM 1167 C PRO A 76 0.147 2.428 13.937 1.00 0.00 C ATOM 1168 O PRO A 76 -1.058 2.580 13.739 1.00 0.00 O ATOM 1169 CB PRO A 76 0.976 3.598 15.976 1.00 0.00 C ATOM 1170 CG PRO A 76 -0.111 4.559 16.331 1.00 0.00 C ATOM 1171 CD PRO A 76 -0.261 5.516 15.174 1.00 0.00 C ATOM 0 HA PRO A 76 1.997 3.388 14.024 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.773 2.607 16.383 1.00 0.00 H new ATOM 0 HB3 PRO A 76 1.934 3.920 16.385 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.046 4.030 16.516 1.00 0.00 H new ATOM 0 HG3 PRO A 76 0.136 5.098 17.246 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.308 5.649 14.900 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.132 6.503 15.420 1.00 0.00 H new ATOM 1179 N LEU A 77 0.772 1.278 13.732 1.00 0.00 N ATOM 1180 CA LEU A 77 0.044 0.079 13.366 1.00 0.00 C ATOM 1181 C LEU A 77 -0.525 -0.558 14.627 1.00 0.00 C ATOM 1182 O LEU A 77 0.111 -0.524 15.682 1.00 0.00 O ATOM 1183 CB LEU A 77 0.967 -0.901 12.636 1.00 0.00 C ATOM 1184 CG LEU A 77 0.298 -2.188 12.144 1.00 0.00 C ATOM 1185 CD1 LEU A 77 -0.745 -1.877 11.083 1.00 0.00 C ATOM 1186 CD2 LEU A 77 1.340 -3.156 11.609 1.00 0.00 C ATOM 0 H LEU A 77 1.781 1.153 13.814 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.773 0.337 12.692 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.408 -0.390 11.780 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.786 -1.169 13.304 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.207 -2.660 12.987 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.209 -2.804 10.746 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.508 -1.221 11.504 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.267 -1.382 10.237 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.848 -4.065 11.263 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.873 -2.694 10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.047 -3.404 12.401 1.00 0.00 H new ATOM 1198 N THR A 78 -1.715 -1.125 14.526 1.00 0.00 N ATOM 1199 CA THR A 78 -2.379 -1.706 15.677 1.00 0.00 C ATOM 1200 C THR A 78 -3.048 -3.017 15.286 1.00 0.00 C ATOM 1201 O THR A 78 -3.326 -3.249 14.107 1.00 0.00 O ATOM 1202 CB THR A 78 -3.444 -0.741 16.241 1.00 0.00 C ATOM 1203 OG1 THR A 78 -3.244 0.577 15.711 1.00 0.00 O ATOM 1204 CG2 THR A 78 -3.377 -0.680 17.759 1.00 0.00 C ATOM 0 H THR A 78 -2.241 -1.195 13.655 1.00 0.00 H new ATOM 0 HA THR A 78 -1.627 -1.891 16.444 1.00 0.00 H new ATOM 0 HB THR A 78 -4.424 -1.116 15.945 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.925 1.182 16.073 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.138 0.007 18.129 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.553 -1.674 18.171 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.392 -0.330 18.066 1.00 0.00 H new ATOM 1212 N ASP A 79 -3.312 -3.864 16.275 1.00 0.00 N ATOM 1213 CA ASP A 79 -3.990 -5.144 16.052 1.00 0.00 C ATOM 1214 C ASP A 79 -5.411 -4.918 15.540 1.00 0.00 C ATOM 1215 O ASP A 79 -6.047 -5.829 15.009 1.00 0.00 O ATOM 1216 CB ASP A 79 -4.028 -5.970 17.344 1.00 0.00 C ATOM 1217 CG ASP A 79 -5.075 -5.483 18.327 1.00 0.00 C ATOM 1218 OD1 ASP A 79 -4.797 -4.524 19.078 1.00 0.00 O ATOM 1219 OD2 ASP A 79 -6.185 -6.060 18.355 1.00 0.00 O ATOM 0 H ASP A 79 -3.066 -3.688 17.249 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.427 -5.696 15.299 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.227 -7.013 17.097 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.048 -5.937 17.819 1.00 0.00 H new ATOM 1224 N ALA A 80 -5.888 -3.689 15.707 1.00 0.00 N ATOM 1225 CA ALA A 80 -7.189 -3.266 15.199 1.00 0.00 C ATOM 1226 C ALA A 80 -7.306 -3.515 13.694 1.00 0.00 C ATOM 1227 O ALA A 80 -8.405 -3.638 13.156 1.00 0.00 O ATOM 1228 CB ALA A 80 -7.417 -1.793 15.509 1.00 0.00 C ATOM 0 H ALA A 80 -5.381 -2.955 16.201 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.956 -3.859 15.697 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.390 -1.487 15.126 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.387 -1.639 16.588 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.637 -1.197 15.036 1.00 0.00 H new ATOM 1234 N ALA A 81 -6.163 -3.568 13.019 1.00 0.00 N ATOM 1235 CA ALA A 81 -6.117 -3.788 11.579 1.00 0.00 C ATOM 1236 C ALA A 81 -6.815 -5.088 11.169 1.00 0.00 C ATOM 1237 O ALA A 81 -7.273 -5.213 10.036 1.00 0.00 O ATOM 1238 CB ALA A 81 -4.675 -3.796 11.103 1.00 0.00 C ATOM 0 H ALA A 81 -5.246 -3.460 13.453 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.656 -2.968 11.105 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.648 -3.961 10.026 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.210 -2.838 11.335 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.130 -4.595 11.606 1.00 0.00 H new ATOM 1244 N PHE A 82 -6.917 -6.039 12.097 1.00 0.00 N ATOM 1245 CA PHE A 82 -7.534 -7.333 11.803 1.00 0.00 C ATOM 1246 C PHE A 82 -9.037 -7.211 11.557 1.00 0.00 C ATOM 1247 O PHE A 82 -9.670 -8.153 11.081 1.00 0.00 O ATOM 1248 CB PHE A 82 -7.270 -8.329 12.933 1.00 0.00 C ATOM 1249 CG PHE A 82 -5.885 -8.909 12.916 1.00 0.00 C ATOM 1250 CD1 PHE A 82 -5.568 -9.939 12.048 1.00 0.00 C ATOM 1251 CD2 PHE A 82 -4.903 -8.429 13.767 1.00 0.00 C ATOM 1252 CE1 PHE A 82 -4.299 -10.483 12.028 1.00 0.00 C ATOM 1253 CE2 PHE A 82 -3.631 -8.968 13.752 1.00 0.00 C ATOM 1254 CZ PHE A 82 -3.329 -9.996 12.883 1.00 0.00 C ATOM 0 H PHE A 82 -6.582 -5.939 13.055 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.075 -7.701 10.886 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.434 -7.832 13.889 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.995 -9.140 12.867 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.323 -10.322 11.378 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.134 -7.625 14.450 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.065 -11.287 11.346 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.874 -8.585 14.420 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.336 -10.420 12.871 1.00 0.00 H new ATOM 1264 N GLU A 83 -9.610 -6.061 11.890 1.00 0.00 N ATOM 1265 CA GLU A 83 -11.025 -5.820 11.644 1.00 0.00 C ATOM 1266 C GLU A 83 -11.271 -5.505 10.179 1.00 0.00 C ATOM 1267 O GLU A 83 -12.388 -5.642 9.673 1.00 0.00 O ATOM 1268 CB GLU A 83 -11.513 -4.641 12.466 1.00 0.00 C ATOM 1269 CG GLU A 83 -11.380 -4.823 13.959 1.00 0.00 C ATOM 1270 CD GLU A 83 -11.971 -3.656 14.719 1.00 0.00 C ATOM 1271 OE1 GLU A 83 -11.436 -2.533 14.603 1.00 0.00 O ATOM 1272 OE2 GLU A 83 -12.981 -3.844 15.422 1.00 0.00 O ATOM 0 H GLU A 83 -9.118 -5.283 12.330 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.564 -6.725 11.925 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.956 -3.752 12.170 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.560 -4.456 12.227 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.880 -5.744 14.259 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.327 -4.932 14.220 1.00 0.00 H new ATOM 1279 N ALA A 84 -10.231 -5.045 9.513 1.00 0.00 N ATOM 1280 CA ALA A 84 -10.345 -4.583 8.144 1.00 0.00 C ATOM 1281 C ALA A 84 -10.008 -5.690 7.161 1.00 0.00 C ATOM 1282 O ALA A 84 -9.088 -6.472 7.380 1.00 0.00 O ATOM 1283 CB ALA A 84 -9.445 -3.378 7.916 1.00 0.00 C ATOM 0 H ALA A 84 -9.290 -4.981 9.901 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.380 -4.286 7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.541 -3.042 6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.739 -2.572 8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.409 -3.655 8.112 1.00 0.00 H new ATOM 1289 N GLU A 85 -10.780 -5.756 6.091 1.00 0.00 N ATOM 1290 CA GLU A 85 -10.504 -6.687 5.005 1.00 0.00 C ATOM 1291 C GLU A 85 -9.445 -6.086 4.088 1.00 0.00 C ATOM 1292 O GLU A 85 -8.617 -6.792 3.508 1.00 0.00 O ATOM 1293 CB GLU A 85 -11.791 -6.966 4.226 1.00 0.00 C ATOM 1294 CG GLU A 85 -11.686 -8.124 3.245 1.00 0.00 C ATOM 1295 CD GLU A 85 -11.400 -9.450 3.923 1.00 0.00 C ATOM 1296 OE1 GLU A 85 -12.292 -9.969 4.630 1.00 0.00 O ATOM 1297 OE2 GLU A 85 -10.287 -9.983 3.751 1.00 0.00 O ATOM 0 H GLU A 85 -11.606 -5.175 5.948 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.132 -7.629 5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.593 -7.175 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.075 -6.066 3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.617 -8.203 2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.896 -7.912 2.525 1.00 0.00 H new ATOM 1304 N TYR A 86 -9.487 -4.766 3.973 1.00 0.00 N ATOM 1305 CA TYR A 86 -8.533 -4.023 3.158 1.00 0.00 C ATOM 1306 C TYR A 86 -7.529 -3.283 4.042 1.00 0.00 C ATOM 1307 O TYR A 86 -7.904 -2.386 4.799 1.00 0.00 O ATOM 1308 CB TYR A 86 -9.262 -3.004 2.275 1.00 0.00 C ATOM 1309 CG TYR A 86 -10.122 -3.601 1.178 1.00 0.00 C ATOM 1310 CD1 TYR A 86 -11.233 -4.384 1.475 1.00 0.00 C ATOM 1311 CD2 TYR A 86 -9.833 -3.359 -0.159 1.00 0.00 C ATOM 1312 CE1 TYR A 86 -12.025 -4.913 0.472 1.00 0.00 C ATOM 1313 CE2 TYR A 86 -10.624 -3.879 -1.168 1.00 0.00 C ATOM 1314 CZ TYR A 86 -11.718 -4.655 -0.849 1.00 0.00 C ATOM 1315 OH TYR A 86 -12.505 -5.175 -1.857 1.00 0.00 O ATOM 0 H TYR A 86 -10.180 -4.181 4.440 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.003 -4.739 2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.892 -2.381 2.910 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -8.522 -2.347 1.818 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.481 -4.582 2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.976 -2.754 -0.415 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.879 -5.525 0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.385 -3.678 -2.202 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.106 -6.007 -2.187 1.00 0.00 H new ATOM 1325 N LEU A 87 -6.259 -3.654 3.944 1.00 0.00 N ATOM 1326 CA LEU A 87 -5.210 -2.992 4.714 1.00 0.00 C ATOM 1327 C LEU A 87 -4.262 -2.230 3.799 1.00 0.00 C ATOM 1328 O LEU A 87 -3.585 -2.823 2.961 1.00 0.00 O ATOM 1329 CB LEU A 87 -4.408 -4.001 5.551 1.00 0.00 C ATOM 1330 CG LEU A 87 -5.111 -4.563 6.792 1.00 0.00 C ATOM 1331 CD1 LEU A 87 -5.688 -3.440 7.637 1.00 0.00 C ATOM 1332 CD2 LEU A 87 -6.193 -5.562 6.411 1.00 0.00 C ATOM 0 H LEU A 87 -5.929 -4.408 3.341 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.701 -2.290 5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.130 -4.836 4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.482 -3.522 5.869 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.366 -5.092 7.386 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.182 -3.861 8.513 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.885 -2.776 7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.411 -2.876 7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.672 -5.942 7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.937 -5.071 5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.746 -6.391 5.862 1.00 0.00 H new ATOM 1344 N ALA A 88 -4.218 -0.913 3.961 1.00 0.00 N ATOM 1345 CA ALA A 88 -3.319 -0.073 3.182 1.00 0.00 C ATOM 1346 C ALA A 88 -2.391 0.714 4.099 1.00 0.00 C ATOM 1347 O ALA A 88 -2.843 1.530 4.905 1.00 0.00 O ATOM 1348 CB ALA A 88 -4.108 0.874 2.289 1.00 0.00 C ATOM 0 H ALA A 88 -4.797 -0.403 4.628 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.712 -0.720 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.418 1.493 1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.731 0.296 1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.741 1.512 2.905 1.00 0.00 H new ATOM 1354 N VAL A 89 -1.093 0.465 3.980 1.00 0.00 N ATOM 1355 CA VAL A 89 -0.109 1.119 4.834 1.00 0.00 C ATOM 1356 C VAL A 89 1.019 1.718 4.001 1.00 0.00 C ATOM 1357 O VAL A 89 1.673 1.018 3.222 1.00 0.00 O ATOM 1358 CB VAL A 89 0.487 0.143 5.876 1.00 0.00 C ATOM 1359 CG1 VAL A 89 1.508 0.844 6.762 1.00 0.00 C ATOM 1360 CG2 VAL A 89 -0.615 -0.480 6.726 1.00 0.00 C ATOM 0 H VAL A 89 -0.697 -0.185 3.301 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.631 1.915 5.366 1.00 0.00 H new ATOM 0 HB VAL A 89 0.997 -0.653 5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 89 1.911 0.134 7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.318 1.233 6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.027 1.667 7.291 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.173 -1.163 7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.158 0.306 7.251 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.303 -1.029 6.084 1.00 0.00 H new ATOM 1370 N ASP A 90 1.236 3.013 4.169 1.00 0.00 N ATOM 1371 CA ASP A 90 2.289 3.718 3.444 1.00 0.00 C ATOM 1372 C ASP A 90 3.488 3.944 4.362 1.00 0.00 C ATOM 1373 O ASP A 90 3.310 4.221 5.553 1.00 0.00 O ATOM 1374 CB ASP A 90 1.760 5.060 2.923 1.00 0.00 C ATOM 1375 CG ASP A 90 2.701 5.734 1.940 1.00 0.00 C ATOM 1376 OD1 ASP A 90 3.717 6.309 2.376 1.00 0.00 O ATOM 1377 OD2 ASP A 90 2.413 5.710 0.722 1.00 0.00 O ATOM 0 H ASP A 90 0.696 3.602 4.803 1.00 0.00 H new ATOM 0 HA ASP A 90 2.604 3.112 2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.795 4.900 2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.588 5.728 3.767 1.00 0.00 H new ATOM 1382 N GLN A 91 4.697 3.818 3.805 1.00 0.00 N ATOM 1383 CA GLN A 91 5.945 3.973 4.560 1.00 0.00 C ATOM 1384 C GLN A 91 6.122 2.831 5.561 1.00 0.00 C ATOM 1385 O GLN A 91 6.223 3.049 6.769 1.00 0.00 O ATOM 1386 CB GLN A 91 5.993 5.332 5.271 1.00 0.00 C ATOM 1387 CG GLN A 91 6.311 6.502 4.348 1.00 0.00 C ATOM 1388 CD GLN A 91 5.638 7.795 4.776 1.00 0.00 C ATOM 1389 OE1 GLN A 91 4.396 7.700 5.229 1.00 0.00 O flip ATOM 1390 NE2 GLN A 91 6.209 8.880 4.652 1.00 0.00 N flip ATOM 0 H GLN A 91 4.838 3.606 2.817 1.00 0.00 H new ATOM 0 HA GLN A 91 6.772 3.934 3.851 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.032 5.513 5.753 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.743 5.291 6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.390 6.653 4.320 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.997 6.254 3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.166 8.916 4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.725 9.742 4.901 1.00 0.00 H new ATOM 1399 N VAL A 92 6.175 1.611 5.039 1.00 0.00 N ATOM 1400 CA VAL A 92 6.257 0.407 5.869 1.00 0.00 C ATOM 1401 C VAL A 92 7.622 0.285 6.557 1.00 0.00 C ATOM 1402 O VAL A 92 7.752 -0.359 7.598 1.00 0.00 O ATOM 1403 CB VAL A 92 5.987 -0.861 5.026 1.00 0.00 C ATOM 1404 CG1 VAL A 92 5.959 -2.108 5.896 1.00 0.00 C ATOM 1405 CG2 VAL A 92 4.683 -0.720 4.258 1.00 0.00 C ATOM 0 H VAL A 92 6.163 1.425 4.036 1.00 0.00 H new ATOM 0 HA VAL A 92 5.491 0.497 6.639 1.00 0.00 H new ATOM 0 HB VAL A 92 6.804 -0.969 4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.767 -2.982 5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.920 -2.224 6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.170 -2.014 6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.508 -1.621 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.861 -0.579 4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.744 0.141 3.593 1.00 0.00 H new ATOM 1415 N GLU A 93 8.631 0.935 5.984 1.00 0.00 N ATOM 1416 CA GLU A 93 9.997 0.880 6.514 1.00 0.00 C ATOM 1417 C GLU A 93 10.072 1.502 7.916 1.00 0.00 C ATOM 1418 O GLU A 93 11.028 1.281 8.659 1.00 0.00 O ATOM 1419 CB GLU A 93 10.950 1.602 5.541 1.00 0.00 C ATOM 1420 CG GLU A 93 12.435 1.391 5.816 1.00 0.00 C ATOM 1421 CD GLU A 93 13.070 2.546 6.564 1.00 0.00 C ATOM 1422 OE1 GLU A 93 13.064 3.677 6.032 1.00 0.00 O ATOM 1423 OE2 GLU A 93 13.602 2.329 7.672 1.00 0.00 O ATOM 0 H GLU A 93 8.531 1.510 5.148 1.00 0.00 H new ATOM 0 HA GLU A 93 10.300 -0.163 6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.733 1.266 4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.738 2.671 5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.565 0.476 6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.957 1.247 4.870 1.00 0.00 H new ATOM 1430 N LYS A 94 9.035 2.244 8.287 1.00 0.00 N ATOM 1431 CA LYS A 94 9.022 2.975 9.546 1.00 0.00 C ATOM 1432 C LYS A 94 8.608 2.090 10.727 1.00 0.00 C ATOM 1433 O LYS A 94 8.554 2.556 11.867 1.00 0.00 O ATOM 1434 CB LYS A 94 8.073 4.164 9.440 1.00 0.00 C ATOM 1435 CG LYS A 94 8.335 5.041 8.227 1.00 0.00 C ATOM 1436 CD LYS A 94 9.797 5.441 8.120 1.00 0.00 C ATOM 1437 CE LYS A 94 10.221 6.361 9.250 1.00 0.00 C ATOM 1438 NZ LYS A 94 11.616 6.835 9.075 1.00 0.00 N ATOM 0 H LYS A 94 8.188 2.355 7.729 1.00 0.00 H new ATOM 0 HA LYS A 94 10.039 3.320 9.734 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.047 3.798 9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.160 4.770 10.342 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.038 4.509 7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.717 5.937 8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.419 4.546 8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.968 5.938 7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.548 7.217 9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.131 5.835 10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.872 7.461 9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.260 6.019 9.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.695 7.358 8.179 1.00 0.00 H new ATOM 1452 N LEU A 95 8.306 0.824 10.454 1.00 0.00 N ATOM 1453 CA LEU A 95 7.878 -0.099 11.500 1.00 0.00 C ATOM 1454 C LEU A 95 9.071 -0.603 12.311 1.00 0.00 C ATOM 1455 O LEU A 95 10.158 -0.820 11.772 1.00 0.00 O ATOM 1456 CB LEU A 95 7.113 -1.276 10.892 1.00 0.00 C ATOM 1457 CG LEU A 95 5.832 -0.903 10.141 1.00 0.00 C ATOM 1458 CD1 LEU A 95 5.133 -2.153 9.631 1.00 0.00 C ATOM 1459 CD2 LEU A 95 4.899 -0.095 11.030 1.00 0.00 C ATOM 0 H LEU A 95 8.349 0.415 9.521 1.00 0.00 H new ATOM 0 HA LEU A 95 7.214 0.441 12.175 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.776 -1.804 10.207 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.857 -1.973 11.690 1.00 0.00 H new ATOM 0 HG LEU A 95 6.105 -0.285 9.286 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.224 -1.870 9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.797 -2.691 8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.876 -2.795 10.473 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.996 0.158 10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.632 -0.684 11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.399 0.820 11.346 1.00 0.00 H new ATOM 1471 N GLY A 96 8.856 -0.790 13.611 1.00 0.00 N ATOM 1472 CA GLY A 96 9.932 -1.201 14.493 1.00 0.00 C ATOM 1473 C GLY A 96 10.122 -2.707 14.554 1.00 0.00 C ATOM 1474 O GLY A 96 11.058 -3.246 13.960 1.00 0.00 O ATOM 0 H GLY A 96 7.953 -0.664 14.069 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.861 -0.738 14.160 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.732 -0.827 15.497 1.00 0.00 H new ATOM 1478 N ASN A 97 9.241 -3.398 15.270 1.00 0.00 N ATOM 1479 CA ASN A 97 9.397 -4.841 15.465 1.00 0.00 C ATOM 1480 C ASN A 97 8.069 -5.504 15.804 1.00 0.00 C ATOM 1481 O ASN A 97 7.674 -6.480 15.163 1.00 0.00 O ATOM 1482 CB ASN A 97 10.425 -5.131 16.566 1.00 0.00 C ATOM 1483 CG ASN A 97 10.727 -6.615 16.700 1.00 0.00 C ATOM 1484 OD1 ASN A 97 11.551 -7.157 15.963 1.00 0.00 O ATOM 1485 ND2 ASN A 97 10.091 -7.274 17.656 1.00 0.00 N ATOM 0 H ASN A 97 8.421 -2.992 15.721 1.00 0.00 H new ATOM 0 HA ASN A 97 9.756 -5.261 14.525 1.00 0.00 H new ATOM 0 HB2 ASN A 97 11.348 -4.593 16.348 1.00 0.00 H new ATOM 0 HB3 ASN A 97 10.052 -4.752 17.517 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.277 -8.266 17.802 1.00 0.00 H new ATOM 0 HD22 ASN A 97 9.415 -6.790 18.246 1.00 0.00 H new ATOM 1492 N GLU A 98 7.377 -4.967 16.803 1.00 0.00 N ATOM 1493 CA GLU A 98 6.087 -5.507 17.222 1.00 0.00 C ATOM 1494 C GLU A 98 5.084 -5.389 16.083 1.00 0.00 C ATOM 1495 O GLU A 98 4.215 -6.245 15.897 1.00 0.00 O ATOM 1496 CB GLU A 98 5.580 -4.750 18.452 1.00 0.00 C ATOM 1497 CG GLU A 98 4.288 -5.306 19.031 1.00 0.00 C ATOM 1498 CD GLU A 98 3.909 -4.666 20.352 1.00 0.00 C ATOM 1499 OE1 GLU A 98 4.455 -5.089 21.391 1.00 0.00 O ATOM 1500 OE2 GLU A 98 3.058 -3.754 20.363 1.00 0.00 O ATOM 0 H GLU A 98 7.688 -4.157 17.339 1.00 0.00 H new ATOM 0 HA GLU A 98 6.206 -6.559 17.481 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.351 -4.772 19.223 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.426 -3.705 18.185 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.480 -5.155 18.315 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.392 -6.382 19.171 1.00 0.00 H new ATOM 1507 N GLU A 99 5.232 -4.314 15.325 1.00 0.00 N ATOM 1508 CA GLU A 99 4.395 -4.044 14.169 1.00 0.00 C ATOM 1509 C GLU A 99 4.634 -5.086 13.081 1.00 0.00 C ATOM 1510 O GLU A 99 3.710 -5.486 12.379 1.00 0.00 O ATOM 1511 CB GLU A 99 4.684 -2.639 13.626 1.00 0.00 C ATOM 1512 CG GLU A 99 4.724 -1.559 14.701 1.00 0.00 C ATOM 1513 CD GLU A 99 6.120 -1.317 15.259 1.00 0.00 C ATOM 1514 OE1 GLU A 99 6.738 -2.265 15.788 1.00 0.00 O ATOM 1515 OE2 GLU A 99 6.598 -0.171 15.179 1.00 0.00 O ATOM 0 H GLU A 99 5.941 -3.601 15.496 1.00 0.00 H new ATOM 0 HA GLU A 99 3.351 -4.097 14.477 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.640 -2.652 13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.921 -2.380 12.892 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.340 -0.628 14.285 1.00 0.00 H new ATOM 0 HG3 GLU A 99 4.058 -1.843 15.516 1.00 0.00 H new ATOM 1522 N GLN A 100 5.880 -5.534 12.961 1.00 0.00 N ATOM 1523 CA GLN A 100 6.236 -6.548 11.975 1.00 0.00 C ATOM 1524 C GLN A 100 5.616 -7.893 12.330 1.00 0.00 C ATOM 1525 O GLN A 100 5.163 -8.625 11.452 1.00 0.00 O ATOM 1526 CB GLN A 100 7.754 -6.683 11.849 1.00 0.00 C ATOM 1527 CG GLN A 100 8.385 -5.630 10.953 1.00 0.00 C ATOM 1528 CD GLN A 100 9.882 -5.812 10.801 1.00 0.00 C ATOM 1529 OE1 GLN A 100 10.343 -6.565 9.945 1.00 0.00 O ATOM 1530 NE2 GLN A 100 10.652 -5.105 11.610 1.00 0.00 N ATOM 0 H GLN A 100 6.659 -5.211 13.534 1.00 0.00 H new ATOM 0 HA GLN A 100 5.838 -6.226 11.012 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.200 -6.618 12.841 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.991 -7.672 11.457 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.917 -5.668 9.969 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.183 -4.641 11.364 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.231 -4.491 12.308 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.667 -5.173 11.537 1.00 0.00 H new ATOM 1539 N ALA A 101 5.589 -8.212 13.620 1.00 0.00 N ATOM 1540 CA ALA A 101 4.960 -9.443 14.085 1.00 0.00 C ATOM 1541 C ALA A 101 3.455 -9.387 13.847 1.00 0.00 C ATOM 1542 O ALA A 101 2.816 -10.397 13.538 1.00 0.00 O ATOM 1543 CB ALA A 101 5.263 -9.673 15.560 1.00 0.00 C ATOM 0 H ALA A 101 5.994 -7.638 14.359 1.00 0.00 H new ATOM 0 HA ALA A 101 5.369 -10.280 13.519 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.786 -10.596 15.890 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.341 -9.751 15.702 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.879 -8.837 16.145 1.00 0.00 H new ATOM 1549 N LEU A 102 2.901 -8.190 13.981 1.00 0.00 N ATOM 1550 CA LEU A 102 1.486 -7.962 13.730 1.00 0.00 C ATOM 1551 C LEU A 102 1.193 -8.168 12.243 1.00 0.00 C ATOM 1552 O LEU A 102 0.300 -8.931 11.874 1.00 0.00 O ATOM 1553 CB LEU A 102 1.111 -6.536 14.171 1.00 0.00 C ATOM 1554 CG LEU A 102 -0.366 -6.287 14.513 1.00 0.00 C ATOM 1555 CD1 LEU A 102 -1.243 -6.334 13.273 1.00 0.00 C ATOM 1556 CD2 LEU A 102 -0.846 -7.295 15.547 1.00 0.00 C ATOM 0 H LEU A 102 3.415 -7.356 14.264 1.00 0.00 H new ATOM 0 HA LEU A 102 0.887 -8.670 14.302 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.711 -6.281 15.045 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.397 -5.847 13.376 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.447 -5.285 14.934 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.281 -6.154 13.554 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.919 -5.567 12.569 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.159 -7.315 12.805 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -1.894 -7.106 15.780 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.738 -8.304 15.149 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.250 -7.198 16.454 1.00 0.00 H new ATOM 1568 N LEU A 103 1.976 -7.495 11.404 1.00 0.00 N ATOM 1569 CA LEU A 103 1.841 -7.594 9.952 1.00 0.00 C ATOM 1570 C LEU A 103 1.983 -9.049 9.493 1.00 0.00 C ATOM 1571 O LEU A 103 1.216 -9.529 8.657 1.00 0.00 O ATOM 1572 CB LEU A 103 2.914 -6.730 9.280 1.00 0.00 C ATOM 1573 CG LEU A 103 2.481 -5.969 8.021 1.00 0.00 C ATOM 1574 CD1 LEU A 103 1.951 -6.913 6.952 1.00 0.00 C ATOM 1575 CD2 LEU A 103 1.443 -4.912 8.366 1.00 0.00 C ATOM 0 H LEU A 103 2.720 -6.867 11.709 1.00 0.00 H new ATOM 0 HA LEU A 103 0.851 -7.238 9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.277 -6.006 10.010 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.756 -7.371 9.020 1.00 0.00 H new ATOM 0 HG LEU A 103 3.362 -5.472 7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.654 -6.339 6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.730 -7.623 6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.089 -7.455 7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.148 -4.382 7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.569 -5.391 8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.867 -4.204 9.078 1.00 0.00 H new ATOM 1587 N PHE A 104 2.979 -9.733 10.042 1.00 0.00 N ATOM 1588 CA PHE A 104 3.205 -11.153 9.769 1.00 0.00 C ATOM 1589 C PHE A 104 1.935 -11.969 10.011 1.00 0.00 C ATOM 1590 O PHE A 104 1.557 -12.815 9.195 1.00 0.00 O ATOM 1591 CB PHE A 104 4.340 -11.666 10.659 1.00 0.00 C ATOM 1592 CG PHE A 104 4.657 -13.126 10.489 1.00 0.00 C ATOM 1593 CD1 PHE A 104 5.302 -13.582 9.353 1.00 0.00 C ATOM 1594 CD2 PHE A 104 4.317 -14.038 11.473 1.00 0.00 C ATOM 1595 CE1 PHE A 104 5.600 -14.922 9.199 1.00 0.00 C ATOM 1596 CE2 PHE A 104 4.614 -15.381 11.326 1.00 0.00 C ATOM 1597 CZ PHE A 104 5.256 -15.822 10.186 1.00 0.00 C ATOM 0 H PHE A 104 3.653 -9.323 10.688 1.00 0.00 H new ATOM 0 HA PHE A 104 3.481 -11.268 8.721 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.239 -11.086 10.450 1.00 0.00 H new ATOM 0 HB3 PHE A 104 4.078 -11.483 11.701 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.576 -12.882 8.577 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.814 -13.697 12.366 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.102 -15.265 8.306 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.344 -16.083 12.101 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.488 -16.870 10.067 1.00 0.00 H new ATOM 1607 N SER A 105 1.281 -11.696 11.128 1.00 0.00 N ATOM 1608 CA SER A 105 0.047 -12.364 11.486 1.00 0.00 C ATOM 1609 C SER A 105 -1.077 -12.004 10.511 1.00 0.00 C ATOM 1610 O SER A 105 -1.939 -12.830 10.207 1.00 0.00 O ATOM 1611 CB SER A 105 -0.325 -11.974 12.911 1.00 0.00 C ATOM 1612 OG SER A 105 0.716 -12.316 13.815 1.00 0.00 O ATOM 0 H SER A 105 1.593 -11.005 11.810 1.00 0.00 H new ATOM 0 HA SER A 105 0.190 -13.443 11.428 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.519 -10.903 12.961 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.246 -12.478 13.202 1.00 0.00 H new ATOM 0 HG SER A 105 1.447 -11.668 13.732 1.00 0.00 H new ATOM 1618 N ILE A 106 -1.052 -10.771 10.017 1.00 0.00 N ATOM 1619 CA ILE A 106 -2.021 -10.323 9.019 1.00 0.00 C ATOM 1620 C ILE A 106 -1.898 -11.153 7.739 1.00 0.00 C ATOM 1621 O ILE A 106 -2.903 -11.589 7.174 1.00 0.00 O ATOM 1622 CB ILE A 106 -1.846 -8.821 8.693 1.00 0.00 C ATOM 1623 CG1 ILE A 106 -2.066 -7.975 9.951 1.00 0.00 C ATOM 1624 CG2 ILE A 106 -2.803 -8.390 7.590 1.00 0.00 C ATOM 1625 CD1 ILE A 106 -1.882 -6.490 9.721 1.00 0.00 C ATOM 0 H ILE A 106 -0.371 -10.062 10.291 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.016 -10.465 9.442 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.827 -8.665 8.339 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.073 -8.154 10.328 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.373 -8.303 10.726 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.661 -7.330 7.379 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.604 -8.970 6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.830 -8.561 7.912 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.053 -5.953 10.654 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.867 -6.299 9.373 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.593 -6.147 8.970 1.00 0.00 H new ATOM 1637 N PHE A 107 -0.661 -11.383 7.299 1.00 0.00 N ATOM 1638 CA PHE A 107 -0.405 -12.230 6.136 1.00 0.00 C ATOM 1639 C PHE A 107 -0.953 -13.631 6.356 1.00 0.00 C ATOM 1640 O PHE A 107 -1.558 -14.221 5.457 1.00 0.00 O ATOM 1641 CB PHE A 107 1.090 -12.313 5.841 1.00 0.00 C ATOM 1642 CG PHE A 107 1.583 -11.247 4.909 1.00 0.00 C ATOM 1643 CD1 PHE A 107 1.287 -11.308 3.558 1.00 0.00 C ATOM 1644 CD2 PHE A 107 2.353 -10.197 5.377 1.00 0.00 C ATOM 1645 CE1 PHE A 107 1.748 -10.339 2.690 1.00 0.00 C ATOM 1646 CE2 PHE A 107 2.821 -9.227 4.512 1.00 0.00 C ATOM 1647 CZ PHE A 107 2.517 -9.299 3.167 1.00 0.00 C ATOM 0 H PHE A 107 0.178 -10.995 7.730 1.00 0.00 H new ATOM 0 HA PHE A 107 -0.912 -11.778 5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 107 1.640 -12.245 6.779 1.00 0.00 H new ATOM 0 HB3 PHE A 107 1.312 -13.290 5.411 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.688 -12.123 3.179 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.590 -10.135 6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.507 -10.395 1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.424 -8.413 4.887 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.881 -8.541 2.489 1.00 0.00 H new ATOM 1657 N ASN A 108 -0.732 -14.155 7.555 1.00 0.00 N ATOM 1658 CA ASN A 108 -1.258 -15.462 7.928 1.00 0.00 C ATOM 1659 C ASN A 108 -2.774 -15.475 7.792 1.00 0.00 C ATOM 1660 O ASN A 108 -3.334 -16.376 7.181 1.00 0.00 O ATOM 1661 CB ASN A 108 -0.867 -15.815 9.363 1.00 0.00 C ATOM 1662 CG ASN A 108 -1.347 -17.194 9.781 1.00 0.00 C ATOM 1663 OD1 ASN A 108 -1.429 -18.117 8.967 1.00 0.00 O ATOM 1664 ND2 ASN A 108 -1.668 -17.345 11.055 1.00 0.00 N ATOM 0 H ASN A 108 -0.191 -13.694 8.287 1.00 0.00 H new ATOM 0 HA ASN A 108 -0.829 -16.206 7.257 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.217 -15.767 9.461 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.282 -15.070 10.042 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -1.997 -18.249 11.394 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -1.587 -16.558 11.698 1.00 0.00 H new ATOM 1671 N ARG A 109 -3.422 -14.450 8.341 1.00 0.00 N ATOM 1672 CA ARG A 109 -4.879 -14.336 8.302 1.00 0.00 C ATOM 1673 C ARG A 109 -5.394 -14.373 6.862 1.00 0.00 C ATOM 1674 O ARG A 109 -6.373 -15.057 6.563 1.00 0.00 O ATOM 1675 CB ARG A 109 -5.317 -13.042 9.008 1.00 0.00 C ATOM 1676 CG ARG A 109 -6.826 -12.802 9.026 1.00 0.00 C ATOM 1677 CD ARG A 109 -7.300 -12.033 7.799 1.00 0.00 C ATOM 1678 NE ARG A 109 -8.752 -11.850 7.778 1.00 0.00 N ATOM 1679 CZ ARG A 109 -9.415 -11.283 6.766 1.00 0.00 C ATOM 1680 NH1 ARG A 109 -8.758 -10.838 5.703 1.00 0.00 N ATOM 1681 NH2 ARG A 109 -10.734 -11.154 6.815 1.00 0.00 N ATOM 0 H ARG A 109 -2.957 -13.680 8.822 1.00 0.00 H new ATOM 0 HA ARG A 109 -5.311 -15.188 8.827 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.954 -13.065 10.036 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.834 -12.196 8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -7.344 -13.760 9.075 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.094 -12.248 9.926 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -6.814 -11.058 7.775 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -6.991 -12.565 6.899 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.289 -12.174 8.582 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.743 -10.928 5.656 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -9.268 -10.406 4.932 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.249 -11.489 7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.233 -10.720 6.039 1.00 0.00 H new ATOM 1695 N PHE A 110 -4.729 -13.640 5.974 1.00 0.00 N ATOM 1696 CA PHE A 110 -5.150 -13.555 4.579 1.00 0.00 C ATOM 1697 C PHE A 110 -5.111 -14.923 3.905 1.00 0.00 C ATOM 1698 O PHE A 110 -6.127 -15.412 3.405 1.00 0.00 O ATOM 1699 CB PHE A 110 -4.259 -12.579 3.805 1.00 0.00 C ATOM 1700 CG PHE A 110 -4.443 -11.130 4.179 1.00 0.00 C ATOM 1701 CD1 PHE A 110 -5.431 -10.738 5.070 1.00 0.00 C ATOM 1702 CD2 PHE A 110 -3.631 -10.157 3.621 1.00 0.00 C ATOM 1703 CE1 PHE A 110 -5.600 -9.405 5.398 1.00 0.00 C ATOM 1704 CE2 PHE A 110 -3.797 -8.825 3.944 1.00 0.00 C ATOM 1705 CZ PHE A 110 -4.782 -8.449 4.832 1.00 0.00 C ATOM 0 H PHE A 110 -3.895 -13.096 6.196 1.00 0.00 H new ATOM 0 HA PHE A 110 -6.177 -13.191 4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -3.216 -12.853 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -4.457 -12.694 2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -6.076 -11.482 5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.858 -10.444 2.924 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -6.371 -9.113 6.096 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -3.155 -8.078 3.501 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.913 -7.407 5.084 1.00 0.00 H new ATOM 1715 N ARG A 111 -3.949 -15.555 3.933 1.00 0.00 N ATOM 1716 CA ARG A 111 -3.750 -16.819 3.236 1.00 0.00 C ATOM 1717 C ARG A 111 -4.398 -17.988 3.969 1.00 0.00 C ATOM 1718 O ARG A 111 -4.621 -19.045 3.377 1.00 0.00 O ATOM 1719 CB ARG A 111 -2.259 -17.082 3.030 1.00 0.00 C ATOM 1720 CG ARG A 111 -1.708 -16.486 1.744 1.00 0.00 C ATOM 1721 CD ARG A 111 -2.315 -17.167 0.526 1.00 0.00 C ATOM 1722 NE ARG A 111 -1.760 -16.668 -0.733 1.00 0.00 N ATOM 1723 CZ ARG A 111 -0.795 -17.285 -1.416 1.00 0.00 C ATOM 1724 NH1 ARG A 111 -0.266 -18.415 -0.965 1.00 0.00 N ATOM 1725 NH2 ARG A 111 -0.362 -16.775 -2.562 1.00 0.00 N ATOM 0 H ARG A 111 -3.127 -15.214 4.431 1.00 0.00 H new ATOM 0 HA ARG A 111 -4.238 -16.735 2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -1.706 -16.674 3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -2.086 -18.158 3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.922 -15.418 1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -0.624 -16.595 1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -2.145 -18.242 0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -3.394 -17.014 0.529 1.00 0.00 H new ATOM 0 HE ARG A 111 -2.133 -15.797 -1.110 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -0.597 -18.819 -0.089 1.00 0.00 H new ATOM 0 HH12 ARG A 111 0.472 -18.880 -1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.767 -15.911 -2.921 1.00 0.00 H new ATOM 0 HH22 ARG A 111 0.376 -17.247 -3.084 1.00 0.00 H new ATOM 1739 N ASN A 112 -4.697 -17.806 5.247 1.00 0.00 N ATOM 1740 CA ASN A 112 -5.327 -18.859 6.036 1.00 0.00 C ATOM 1741 C ASN A 112 -6.766 -19.068 5.587 1.00 0.00 C ATOM 1742 O ASN A 112 -7.191 -20.192 5.327 1.00 0.00 O ATOM 1743 CB ASN A 112 -5.306 -18.513 7.524 1.00 0.00 C ATOM 1744 CG ASN A 112 -4.979 -19.709 8.392 1.00 0.00 C ATOM 1745 OD1 ASN A 112 -5.856 -20.492 8.756 1.00 0.00 O ATOM 1746 ND2 ASN A 112 -3.709 -19.846 8.741 1.00 0.00 N ATOM 0 H ASN A 112 -4.515 -16.943 5.760 1.00 0.00 H new ATOM 0 HA ASN A 112 -4.761 -19.777 5.880 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -4.571 -17.728 7.701 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -6.277 -18.112 7.814 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.424 -20.625 9.335 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.015 -19.173 8.416 1.00 0.00 H new ATOM 1753 N SER A 113 -7.508 -17.973 5.491 1.00 0.00 N ATOM 1754 CA SER A 113 -8.910 -18.032 5.113 1.00 0.00 C ATOM 1755 C SER A 113 -9.076 -18.067 3.593 1.00 0.00 C ATOM 1756 O SER A 113 -10.024 -18.663 3.078 1.00 0.00 O ATOM 1757 CB SER A 113 -9.650 -16.828 5.696 1.00 0.00 C ATOM 1758 OG SER A 113 -9.473 -16.752 7.103 1.00 0.00 O ATOM 0 H SER A 113 -7.159 -17.031 5.671 1.00 0.00 H new ATOM 0 HA SER A 113 -9.335 -18.952 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.285 -15.912 5.230 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.712 -16.902 5.463 1.00 0.00 H new ATOM 0 HG SER A 113 -9.954 -15.973 7.452 1.00 0.00 H new ATOM 1764 N GLY A 114 -8.153 -17.436 2.880 1.00 0.00 N ATOM 1765 CA GLY A 114 -8.274 -17.331 1.436 1.00 0.00 C ATOM 1766 C GLY A 114 -8.851 -15.989 1.051 1.00 0.00 C ATOM 1767 O GLY A 114 -9.529 -15.843 0.034 1.00 0.00 O ATOM 0 H GLY A 114 -7.322 -16.994 3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.296 -17.460 0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -8.913 -18.130 1.059 1.00 0.00 H new ATOM 1771 N LYS A 115 -8.575 -15.011 1.893 1.00 0.00 N ATOM 1772 CA LYS A 115 -9.110 -13.680 1.761 1.00 0.00 C ATOM 1773 C LYS A 115 -7.998 -12.662 1.927 1.00 0.00 C ATOM 1774 O LYS A 115 -6.819 -13.005 1.849 1.00 0.00 O ATOM 1775 CB LYS A 115 -10.168 -13.463 2.837 1.00 0.00 C ATOM 1776 CG LYS A 115 -11.562 -13.878 2.417 1.00 0.00 C ATOM 1777 CD LYS A 115 -12.553 -13.725 3.557 1.00 0.00 C ATOM 1778 CE LYS A 115 -13.955 -14.131 3.135 1.00 0.00 C ATOM 1779 NZ LYS A 115 -14.464 -13.309 2.006 1.00 0.00 N ATOM 0 H LYS A 115 -7.962 -15.127 2.700 1.00 0.00 H new ATOM 0 HA LYS A 115 -9.557 -13.560 0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -9.886 -14.023 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -10.181 -12.409 3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.884 -13.272 1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -11.549 -14.915 2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -12.235 -14.336 4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -12.560 -12.690 3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -13.955 -15.182 2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.630 -14.035 3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -15.486 -13.465 1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -14.286 -12.303 2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -13.976 -13.583 1.129 1.00 0.00 H new ATOM 1793 N GLY A 116 -8.377 -11.421 2.153 1.00 0.00 N ATOM 1794 CA GLY A 116 -7.398 -10.408 2.456 1.00 0.00 C ATOM 1795 C GLY A 116 -7.065 -9.519 1.286 1.00 0.00 C ATOM 1796 O GLY A 116 -6.735 -9.989 0.195 1.00 0.00 O ATOM 0 H GLY A 116 -9.344 -11.096 2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.767 -9.792 3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -6.485 -10.890 2.806 1.00 0.00 H new ATOM 1800 N PHE A 117 -7.167 -8.228 1.519 1.00 0.00 N ATOM 1801 CA PHE A 117 -6.738 -7.234 0.561 1.00 0.00 C ATOM 1802 C PHE A 117 -5.635 -6.401 1.190 1.00 0.00 C ATOM 1803 O PHE A 117 -5.802 -5.859 2.286 1.00 0.00 O ATOM 1804 CB PHE A 117 -7.912 -6.344 0.146 1.00 0.00 C ATOM 1805 CG PHE A 117 -8.991 -7.061 -0.622 1.00 0.00 C ATOM 1806 CD1 PHE A 117 -9.904 -7.878 0.027 1.00 0.00 C ATOM 1807 CD2 PHE A 117 -9.095 -6.907 -1.992 1.00 0.00 C ATOM 1808 CE1 PHE A 117 -10.898 -8.527 -0.680 1.00 0.00 C ATOM 1809 CE2 PHE A 117 -10.088 -7.553 -2.704 1.00 0.00 C ATOM 1810 CZ PHE A 117 -10.990 -8.364 -2.045 1.00 0.00 C ATOM 0 H PHE A 117 -7.551 -7.838 2.380 1.00 0.00 H new ATOM 0 HA PHE A 117 -6.362 -7.726 -0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -8.351 -5.902 1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -7.533 -5.523 -0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -9.838 -8.009 1.097 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -8.391 -6.274 -2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -11.602 -9.162 -0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -10.158 -7.424 -3.774 1.00 0.00 H new ATOM 0 HZ PHE A 117 -11.767 -8.870 -2.599 1.00 0.00 H new ATOM 1820 N LEU A 118 -4.508 -6.303 0.513 1.00 0.00 N ATOM 1821 CA LEU A 118 -3.356 -5.620 1.068 1.00 0.00 C ATOM 1822 C LEU A 118 -2.749 -4.668 0.054 1.00 0.00 C ATOM 1823 O LEU A 118 -2.667 -4.973 -1.137 1.00 0.00 O ATOM 1824 CB LEU A 118 -2.301 -6.630 1.506 1.00 0.00 C ATOM 1825 CG LEU A 118 -1.164 -6.063 2.360 1.00 0.00 C ATOM 1826 CD1 LEU A 118 -1.689 -5.556 3.692 1.00 0.00 C ATOM 1827 CD2 LEU A 118 -0.091 -7.115 2.574 1.00 0.00 C ATOM 0 H LEU A 118 -4.365 -6.687 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.692 -5.047 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.793 -7.424 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.870 -7.089 0.616 1.00 0.00 H new ATOM 0 HG LEU A 118 -0.723 -5.220 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.863 -5.158 4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.423 -4.769 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -2.159 -6.377 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.711 -6.698 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -0.523 -7.977 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 118 0.310 -7.427 1.610 1.00 0.00 H new ATOM 1839 N LEU A 119 -2.323 -3.526 0.545 1.00 0.00 N ATOM 1840 CA LEU A 119 -1.655 -2.532 -0.272 1.00 0.00 C ATOM 1841 C LEU A 119 -0.595 -1.829 0.558 1.00 0.00 C ATOM 1842 O LEU A 119 -0.903 -0.988 1.406 1.00 0.00 O ATOM 1843 CB LEU A 119 -2.661 -1.523 -0.831 1.00 0.00 C ATOM 1844 CG LEU A 119 -2.068 -0.448 -1.743 1.00 0.00 C ATOM 1845 CD1 LEU A 119 -1.393 -1.075 -2.952 1.00 0.00 C ATOM 1846 CD2 LEU A 119 -3.148 0.516 -2.190 1.00 0.00 C ATOM 0 H LEU A 119 -2.429 -3.258 1.523 1.00 0.00 H new ATOM 0 HA LEU A 119 -1.178 -3.028 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -3.426 -2.066 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -3.161 -1.033 0.004 1.00 0.00 H new ATOM 0 HG LEU A 119 -1.316 0.101 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -0.979 -0.290 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -0.591 -1.734 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.124 -1.651 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.712 1.276 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -3.918 -0.028 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -3.592 0.995 -1.317 1.00 0.00 H new ATOM 1858 N LEU A 120 0.653 -2.199 0.338 1.00 0.00 N ATOM 1859 CA LEU A 120 1.754 -1.642 1.103 1.00 0.00 C ATOM 1860 C LEU A 120 2.685 -0.849 0.202 1.00 0.00 C ATOM 1861 O LEU A 120 2.905 -1.211 -0.953 1.00 0.00 O ATOM 1862 CB LEU A 120 2.538 -2.751 1.809 1.00 0.00 C ATOM 1863 CG LEU A 120 1.738 -3.590 2.808 1.00 0.00 C ATOM 1864 CD1 LEU A 120 2.619 -4.665 3.424 1.00 0.00 C ATOM 1865 CD2 LEU A 120 1.140 -2.709 3.895 1.00 0.00 C ATOM 0 H LEU A 120 0.930 -2.884 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 120 1.335 -0.973 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.953 -3.417 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.380 -2.299 2.333 1.00 0.00 H new ATOM 0 HG LEU A 120 0.922 -4.073 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.035 -5.253 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.000 -5.317 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.455 -4.197 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.576 -3.326 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.940 -2.196 4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.475 -1.973 3.442 1.00 0.00 H new ATOM 1877 N GLY A 121 3.221 0.237 0.736 1.00 0.00 N ATOM 1878 CA GLY A 121 4.181 1.031 0.003 1.00 0.00 C ATOM 1879 C GLY A 121 5.374 1.379 0.862 1.00 0.00 C ATOM 1880 O GLY A 121 5.212 1.800 2.007 1.00 0.00 O ATOM 0 H GLY A 121 3.006 0.584 1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 121 4.512 0.483 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 121 3.705 1.946 -0.351 1.00 0.00 H new ATOM 1884 N SER A 122 6.570 1.185 0.334 1.00 0.00 N ATOM 1885 CA SER A 122 7.782 1.483 1.085 1.00 0.00 C ATOM 1886 C SER A 122 8.922 1.848 0.136 1.00 0.00 C ATOM 1887 O SER A 122 10.075 1.517 0.401 1.00 0.00 O ATOM 1888 CB SER A 122 8.170 0.284 1.957 1.00 0.00 C ATOM 1889 OG SER A 122 9.144 0.645 2.920 1.00 0.00 O ATOM 0 H SER A 122 6.730 0.824 -0.607 1.00 0.00 H new ATOM 0 HA SER A 122 7.591 2.338 1.734 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.285 -0.105 2.460 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.557 -0.517 1.327 1.00 0.00 H new ATOM 0 HG SER A 122 9.918 1.043 2.469 1.00 0.00 H new ATOM 1895 N GLU A 123 8.558 2.559 -0.945 1.00 0.00 N ATOM 1896 CA GLU A 123 9.463 3.041 -2.019 1.00 0.00 C ATOM 1897 C GLU A 123 10.333 1.952 -2.678 1.00 0.00 C ATOM 1898 O GLU A 123 10.391 1.881 -3.906 1.00 0.00 O ATOM 1899 CB GLU A 123 10.323 4.260 -1.599 1.00 0.00 C ATOM 1900 CG GLU A 123 11.301 4.048 -0.448 1.00 0.00 C ATOM 1901 CD GLU A 123 10.742 4.488 0.893 1.00 0.00 C ATOM 1902 OE1 GLU A 123 10.022 5.506 0.937 1.00 0.00 O ATOM 1903 OE2 GLU A 123 11.014 3.815 1.909 1.00 0.00 O ATOM 0 H GLU A 123 7.588 2.828 -1.107 1.00 0.00 H new ATOM 0 HA GLU A 123 8.769 3.374 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 123 10.889 4.592 -2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.650 5.073 -1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 123 11.569 2.993 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.219 4.600 -0.652 1.00 0.00 H new ATOM 1910 N TYR A 124 11.003 1.122 -1.892 1.00 0.00 N ATOM 1911 CA TYR A 124 11.839 0.053 -2.431 1.00 0.00 C ATOM 1912 C TYR A 124 11.020 -1.221 -2.612 1.00 0.00 C ATOM 1913 O TYR A 124 9.825 -1.240 -2.325 1.00 0.00 O ATOM 1914 CB TYR A 124 13.019 -0.230 -1.496 1.00 0.00 C ATOM 1915 CG TYR A 124 13.816 0.998 -1.117 1.00 0.00 C ATOM 1916 CD1 TYR A 124 14.631 1.639 -2.041 1.00 0.00 C ATOM 1917 CD2 TYR A 124 13.760 1.511 0.172 1.00 0.00 C ATOM 1918 CE1 TYR A 124 15.362 2.759 -1.691 1.00 0.00 C ATOM 1919 CE2 TYR A 124 14.486 2.630 0.528 1.00 0.00 C ATOM 1920 CZ TYR A 124 15.285 3.250 -0.404 1.00 0.00 C ATOM 1921 OH TYR A 124 16.016 4.362 -0.049 1.00 0.00 O ATOM 0 H TYR A 124 10.985 1.167 -0.873 1.00 0.00 H new ATOM 0 HA TYR A 124 12.221 0.377 -3.399 1.00 0.00 H new ATOM 0 HB2 TYR A 124 12.644 -0.701 -0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 124 13.684 -0.948 -1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 124 14.695 1.256 -3.049 1.00 0.00 H new ATOM 0 HD2 TYR A 124 13.137 1.026 0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 124 15.990 3.247 -2.421 1.00 0.00 H new ATOM 0 HE2 TYR A 124 14.427 3.017 1.535 1.00 0.00 H new ATOM 0 HH TYR A 124 15.848 4.577 0.892 1.00 0.00 H new ATOM 1931 N THR A 125 11.661 -2.279 -3.090 1.00 0.00 N ATOM 1932 CA THR A 125 11.006 -3.567 -3.248 1.00 0.00 C ATOM 1933 C THR A 125 11.131 -4.410 -1.974 1.00 0.00 C ATOM 1934 O THR A 125 11.997 -4.149 -1.137 1.00 0.00 O ATOM 1935 CB THR A 125 11.606 -4.337 -4.437 1.00 0.00 C ATOM 1936 OG1 THR A 125 13.016 -4.088 -4.510 1.00 0.00 O ATOM 1937 CG2 THR A 125 10.933 -3.941 -5.740 1.00 0.00 C ATOM 0 H THR A 125 12.640 -2.268 -3.376 1.00 0.00 H new ATOM 0 HA THR A 125 9.950 -3.379 -3.439 1.00 0.00 H new ATOM 0 HB THR A 125 11.435 -5.402 -4.282 1.00 0.00 H new ATOM 0 HG1 THR A 125 13.396 -4.581 -5.267 1.00 0.00 H new ATOM 0 HG21 THR A 125 11.377 -4.501 -6.563 1.00 0.00 H new ATOM 0 HG22 THR A 125 9.868 -4.164 -5.682 1.00 0.00 H new ATOM 0 HG23 THR A 125 11.071 -2.873 -5.911 1.00 0.00 H new ATOM 1945 N PRO A 126 10.272 -5.439 -1.813 1.00 0.00 N ATOM 1946 CA PRO A 126 10.282 -6.310 -0.627 1.00 0.00 C ATOM 1947 C PRO A 126 11.611 -7.040 -0.448 1.00 0.00 C ATOM 1948 O PRO A 126 12.002 -7.379 0.668 1.00 0.00 O ATOM 1949 CB PRO A 126 9.159 -7.317 -0.903 1.00 0.00 C ATOM 1950 CG PRO A 126 8.296 -6.669 -1.929 1.00 0.00 C ATOM 1951 CD PRO A 126 9.216 -5.829 -2.765 1.00 0.00 C ATOM 0 HA PRO A 126 10.143 -5.737 0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 126 9.559 -8.263 -1.266 1.00 0.00 H new ATOM 0 HB3 PRO A 126 8.595 -7.536 0.004 1.00 0.00 H new ATOM 0 HG2 PRO A 126 7.786 -7.415 -2.538 1.00 0.00 H new ATOM 0 HG3 PRO A 126 7.525 -6.057 -1.461 1.00 0.00 H new ATOM 0 HD2 PRO A 126 9.620 -6.390 -3.607 1.00 0.00 H new ATOM 0 HD3 PRO A 126 8.704 -4.960 -3.178 1.00 0.00 H new ATOM 1959 N GLN A 127 12.305 -7.269 -1.555 1.00 0.00 N ATOM 1960 CA GLN A 127 13.590 -7.955 -1.523 1.00 0.00 C ATOM 1961 C GLN A 127 14.736 -6.948 -1.460 1.00 0.00 C ATOM 1962 O GLN A 127 15.911 -7.318 -1.508 1.00 0.00 O ATOM 1963 CB GLN A 127 13.742 -8.870 -2.741 1.00 0.00 C ATOM 1964 CG GLN A 127 12.752 -10.031 -2.755 1.00 0.00 C ATOM 1965 CD GLN A 127 12.851 -10.887 -4.006 1.00 0.00 C ATOM 1966 OE1 GLN A 127 14.047 -11.002 -4.566 1.00 0.00 O flip ATOM 1967 NE2 GLN A 127 11.861 -11.470 -4.453 1.00 0.00 N flip ATOM 0 H GLN A 127 11.999 -6.989 -2.487 1.00 0.00 H new ATOM 0 HA GLN A 127 13.627 -8.571 -0.625 1.00 0.00 H new ATOM 0 HB2 GLN A 127 13.611 -8.280 -3.648 1.00 0.00 H new ATOM 0 HB3 GLN A 127 14.757 -9.267 -2.763 1.00 0.00 H new ATOM 0 HG2 GLN A 127 12.924 -10.657 -1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 127 11.739 -9.637 -2.671 1.00 0.00 H new ATOM 0 HE21 GLN A 127 10.955 -11.359 -3.997 1.00 0.00 H new ATOM 0 HE22 GLN A 127 11.948 -12.063 -5.278 1.00 0.00 H new ATOM 1976 N GLN A 128 14.388 -5.675 -1.351 1.00 0.00 N ATOM 1977 CA GLN A 128 15.376 -4.619 -1.172 1.00 0.00 C ATOM 1978 C GLN A 128 15.329 -4.117 0.268 1.00 0.00 C ATOM 1979 O GLN A 128 16.336 -3.664 0.819 1.00 0.00 O ATOM 1980 CB GLN A 128 15.106 -3.463 -2.142 1.00 0.00 C ATOM 1981 CG GLN A 128 16.131 -2.337 -2.075 1.00 0.00 C ATOM 1982 CD GLN A 128 17.508 -2.770 -2.540 1.00 0.00 C ATOM 1983 OE1 GLN A 128 18.329 -3.239 -1.750 1.00 0.00 O ATOM 1984 NE2 GLN A 128 17.777 -2.588 -3.823 1.00 0.00 N ATOM 0 H GLN A 128 13.423 -5.346 -1.383 1.00 0.00 H new ATOM 0 HA GLN A 128 16.367 -5.020 -1.383 1.00 0.00 H new ATOM 0 HB2 GLN A 128 15.080 -3.855 -3.159 1.00 0.00 H new ATOM 0 HB3 GLN A 128 14.118 -3.052 -1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 128 15.790 -1.504 -2.690 1.00 0.00 H new ATOM 0 HG3 GLN A 128 16.196 -1.971 -1.050 1.00 0.00 H new ATOM 0 HE21 GLN A 128 17.067 -2.196 -4.442 1.00 0.00 H new ATOM 0 HE22 GLN A 128 18.694 -2.839 -4.192 1.00 0.00 H new ATOM 1993 N LEU A 129 14.149 -4.212 0.870 1.00 0.00 N ATOM 1994 CA LEU A 129 13.944 -3.774 2.245 1.00 0.00 C ATOM 1995 C LEU A 129 14.665 -4.689 3.227 1.00 0.00 C ATOM 1996 O LEU A 129 14.779 -5.897 3.003 1.00 0.00 O ATOM 1997 CB LEU A 129 12.453 -3.751 2.574 1.00 0.00 C ATOM 1998 CG LEU A 129 11.618 -2.750 1.779 1.00 0.00 C ATOM 1999 CD1 LEU A 129 10.152 -2.891 2.144 1.00 0.00 C ATOM 2000 CD2 LEU A 129 12.095 -1.326 2.032 1.00 0.00 C ATOM 0 H LEU A 129 13.314 -4.591 0.423 1.00 0.00 H new ATOM 0 HA LEU A 129 14.355 -2.769 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.047 -4.749 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 129 12.337 -3.532 3.635 1.00 0.00 H new ATOM 0 HG LEU A 129 11.739 -2.964 0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 129 9.564 -2.173 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 129 9.815 -3.902 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.022 -2.700 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 129 11.486 -0.630 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 129 12.004 -1.095 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 129 13.138 -1.232 1.729 1.00 0.00 H new ATOM 2012 N VAL A 130 15.149 -4.109 4.317 1.00 0.00 N ATOM 2013 CA VAL A 130 15.808 -4.878 5.358 1.00 0.00 C ATOM 2014 C VAL A 130 14.875 -5.035 6.553 1.00 0.00 C ATOM 2015 O VAL A 130 14.952 -4.287 7.531 1.00 0.00 O ATOM 2016 CB VAL A 130 17.138 -4.232 5.811 1.00 0.00 C ATOM 2017 CG1 VAL A 130 17.866 -5.129 6.803 1.00 0.00 C ATOM 2018 CG2 VAL A 130 18.025 -3.945 4.615 1.00 0.00 C ATOM 0 H VAL A 130 15.096 -3.107 4.501 1.00 0.00 H new ATOM 0 HA VAL A 130 16.047 -5.856 4.941 1.00 0.00 H new ATOM 0 HB VAL A 130 16.904 -3.290 6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 130 18.798 -4.654 7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 130 17.237 -5.288 7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 130 18.084 -6.088 6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 130 18.956 -3.491 4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 130 18.244 -4.876 4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 130 17.513 -3.261 3.938 1.00 0.00 H new ATOM 2028 N ILE A 131 13.957 -5.979 6.434 1.00 0.00 N ATOM 2029 CA ILE A 131 13.016 -6.280 7.500 1.00 0.00 C ATOM 2030 C ILE A 131 13.260 -7.694 8.010 1.00 0.00 C ATOM 2031 O ILE A 131 14.190 -8.363 7.554 1.00 0.00 O ATOM 2032 CB ILE A 131 11.552 -6.147 7.019 1.00 0.00 C ATOM 2033 CG1 ILE A 131 11.306 -7.039 5.795 1.00 0.00 C ATOM 2034 CG2 ILE A 131 11.229 -4.690 6.705 1.00 0.00 C ATOM 2035 CD1 ILE A 131 9.883 -7.003 5.282 1.00 0.00 C ATOM 0 H ILE A 131 13.843 -6.556 5.601 1.00 0.00 H new ATOM 0 HA ILE A 131 13.173 -5.560 8.303 1.00 0.00 H new ATOM 0 HB ILE A 131 10.889 -6.479 7.818 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.978 -6.732 4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 131 11.563 -8.067 6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 131 10.196 -4.611 6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 131 11.365 -4.086 7.602 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.895 -4.330 5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 131 9.792 -7.659 4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 131 9.205 -7.340 6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 131 9.626 -5.984 4.993 1.00 0.00 H new ATOM 2047 N ARG A 132 12.443 -8.154 8.948 1.00 0.00 N ATOM 2048 CA ARG A 132 12.574 -9.516 9.438 1.00 0.00 C ATOM 2049 C ARG A 132 12.208 -10.475 8.322 1.00 0.00 C ATOM 2050 O ARG A 132 11.179 -10.309 7.659 1.00 0.00 O ATOM 2051 CB ARG A 132 11.691 -9.760 10.662 1.00 0.00 C ATOM 2052 CG ARG A 132 12.063 -11.009 11.447 1.00 0.00 C ATOM 2053 CD ARG A 132 11.203 -11.160 12.692 1.00 0.00 C ATOM 2054 NE ARG A 132 11.713 -12.188 13.599 1.00 0.00 N ATOM 2055 CZ ARG A 132 10.943 -13.047 14.266 1.00 0.00 C ATOM 2056 NH1 ARG A 132 9.622 -13.016 14.118 1.00 0.00 N ATOM 2057 NH2 ARG A 132 11.493 -13.936 15.083 1.00 0.00 N ATOM 0 H ARG A 132 11.694 -7.612 9.378 1.00 0.00 H new ATOM 0 HA ARG A 132 13.606 -9.681 9.747 1.00 0.00 H new ATOM 0 HB2 ARG A 132 11.754 -8.895 11.322 1.00 0.00 H new ATOM 0 HB3 ARG A 132 10.653 -9.840 10.340 1.00 0.00 H new ATOM 0 HG2 ARG A 132 11.945 -11.888 10.813 1.00 0.00 H new ATOM 0 HG3 ARG A 132 13.114 -10.961 11.733 1.00 0.00 H new ATOM 0 HD2 ARG A 132 11.157 -10.206 13.217 1.00 0.00 H new ATOM 0 HD3 ARG A 132 10.184 -11.411 12.398 1.00 0.00 H new ATOM 0 HE ARG A 132 12.723 -12.251 13.729 1.00 0.00 H new ATOM 0 HH11 ARG A 132 9.195 -12.333 13.492 1.00 0.00 H new ATOM 0 HH12 ARG A 132 9.036 -13.675 14.630 1.00 0.00 H new ATOM 0 HH21 ARG A 132 12.506 -13.962 15.201 1.00 0.00 H new ATOM 0 HH22 ARG A 132 10.903 -14.593 15.593 1.00 0.00 H new ATOM 2071 N GLU A 133 13.051 -11.469 8.113 1.00 0.00 N ATOM 2072 CA GLU A 133 12.899 -12.380 6.987 1.00 0.00 C ATOM 2073 C GLU A 133 11.580 -13.152 7.076 1.00 0.00 C ATOM 2074 O GLU A 133 11.071 -13.647 6.069 1.00 0.00 O ATOM 2075 CB GLU A 133 14.097 -13.331 6.916 1.00 0.00 C ATOM 2076 CG GLU A 133 14.281 -13.990 5.557 1.00 0.00 C ATOM 2077 CD GLU A 133 15.703 -14.462 5.329 1.00 0.00 C ATOM 2078 OE1 GLU A 133 16.050 -15.573 5.783 1.00 0.00 O ATOM 2079 OE2 GLU A 133 16.488 -13.714 4.703 1.00 0.00 O ATOM 0 H GLU A 133 13.853 -11.669 8.710 1.00 0.00 H new ATOM 0 HA GLU A 133 12.870 -11.795 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 133 15.003 -12.778 7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 133 13.978 -14.107 7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 133 13.602 -14.839 5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 133 14.006 -13.283 4.774 1.00 0.00 H new ATOM 2086 N ASP A 134 11.015 -13.218 8.280 1.00 0.00 N ATOM 2087 CA ASP A 134 9.712 -13.847 8.486 1.00 0.00 C ATOM 2088 C ASP A 134 8.629 -13.088 7.727 1.00 0.00 C ATOM 2089 O ASP A 134 7.752 -13.682 7.103 1.00 0.00 O ATOM 2090 CB ASP A 134 9.354 -13.886 9.974 1.00 0.00 C ATOM 2091 CG ASP A 134 10.274 -14.781 10.775 1.00 0.00 C ATOM 2092 OD1 ASP A 134 11.383 -14.332 11.125 1.00 0.00 O ATOM 2093 OD2 ASP A 134 9.883 -15.931 11.062 1.00 0.00 O ATOM 0 H ASP A 134 11.440 -12.843 9.128 1.00 0.00 H new ATOM 0 HA ASP A 134 9.771 -14.868 8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 134 9.395 -12.875 10.379 1.00 0.00 H new ATOM 0 HB3 ASP A 134 8.327 -14.234 10.087 1.00 0.00 H new ATOM 2098 N LEU A 135 8.706 -11.768 7.771 1.00 0.00 N ATOM 2099 CA LEU A 135 7.748 -10.927 7.070 1.00 0.00 C ATOM 2100 C LEU A 135 8.125 -10.845 5.595 1.00 0.00 C ATOM 2101 O LEU A 135 7.265 -10.761 4.720 1.00 0.00 O ATOM 2102 CB LEU A 135 7.714 -9.527 7.693 1.00 0.00 C ATOM 2103 CG LEU A 135 6.671 -8.577 7.103 1.00 0.00 C ATOM 2104 CD1 LEU A 135 5.271 -9.124 7.315 1.00 0.00 C ATOM 2105 CD2 LEU A 135 6.800 -7.192 7.720 1.00 0.00 C ATOM 0 H LEU A 135 9.422 -11.255 8.285 1.00 0.00 H new ATOM 0 HA LEU A 135 6.754 -11.365 7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.527 -9.627 8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.699 -9.074 7.582 1.00 0.00 H new ATOM 0 HG LEU A 135 6.850 -8.495 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.542 -8.434 6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.182 -10.094 6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 135 5.082 -9.237 8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 135 6.050 -6.530 7.288 1.00 0.00 H new ATOM 0 HD22 LEU A 135 6.648 -7.258 8.797 1.00 0.00 H new ATOM 0 HD23 LEU A 135 7.795 -6.795 7.517 1.00 0.00 H new ATOM 2117 N ARG A 136 9.426 -10.899 5.339 1.00 0.00 N ATOM 2118 CA ARG A 136 9.965 -10.820 3.987 1.00 0.00 C ATOM 2119 C ARG A 136 9.449 -11.964 3.110 1.00 0.00 C ATOM 2120 O ARG A 136 9.080 -11.751 1.957 1.00 0.00 O ATOM 2121 CB ARG A 136 11.492 -10.850 4.046 1.00 0.00 C ATOM 2122 CG ARG A 136 12.174 -10.722 2.697 1.00 0.00 C ATOM 2123 CD ARG A 136 13.671 -10.944 2.827 1.00 0.00 C ATOM 2124 NE ARG A 136 14.365 -10.840 1.546 1.00 0.00 N ATOM 2125 CZ ARG A 136 14.736 -11.893 0.815 1.00 0.00 C ATOM 2126 NH1 ARG A 136 14.430 -13.121 1.218 1.00 0.00 N ATOM 2127 NH2 ARG A 136 15.408 -11.719 -0.316 1.00 0.00 N ATOM 0 H ARG A 136 10.138 -10.999 6.063 1.00 0.00 H new ATOM 0 HA ARG A 136 9.632 -9.884 3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 136 11.834 -10.041 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 136 11.807 -11.784 4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 136 11.753 -11.448 2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 136 11.983 -9.733 2.280 1.00 0.00 H new ATOM 0 HD2 ARG A 136 14.085 -10.212 3.521 1.00 0.00 H new ATOM 0 HD3 ARG A 136 13.853 -11.929 3.256 1.00 0.00 H new ATOM 0 HE ARG A 136 14.578 -9.908 1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 136 13.912 -13.259 2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.713 -13.926 0.660 1.00 0.00 H new ATOM 0 HH21 ARG A 136 15.643 -10.777 -0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 136 15.689 -12.527 -0.871 1.00 0.00 H new ATOM 2141 N THR A 137 9.416 -13.172 3.664 1.00 0.00 N ATOM 2142 CA THR A 137 8.955 -14.335 2.917 1.00 0.00 C ATOM 2143 C THR A 137 7.451 -14.232 2.623 1.00 0.00 C ATOM 2144 O THR A 137 6.964 -14.756 1.620 1.00 0.00 O ATOM 2145 CB THR A 137 9.279 -15.655 3.666 1.00 0.00 C ATOM 2146 OG1 THR A 137 8.964 -16.790 2.848 1.00 0.00 O ATOM 2147 CG2 THR A 137 8.522 -15.756 4.984 1.00 0.00 C ATOM 0 H THR A 137 9.702 -13.370 4.623 1.00 0.00 H new ATOM 0 HA THR A 137 9.491 -14.352 1.968 1.00 0.00 H new ATOM 0 HB THR A 137 10.347 -15.647 3.883 1.00 0.00 H new ATOM 0 HG1 THR A 137 9.176 -17.613 3.335 1.00 0.00 H new ATOM 0 HG21 THR A 137 8.776 -16.694 5.478 1.00 0.00 H new ATOM 0 HG22 THR A 137 8.798 -14.920 5.627 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.450 -15.726 4.791 1.00 0.00 H new ATOM 2155 N ARG A 138 6.723 -13.532 3.495 1.00 0.00 N ATOM 2156 CA ARG A 138 5.301 -13.300 3.298 1.00 0.00 C ATOM 2157 C ARG A 138 5.052 -12.271 2.198 1.00 0.00 C ATOM 2158 O ARG A 138 4.032 -12.320 1.514 1.00 0.00 O ATOM 2159 CB ARG A 138 4.679 -12.823 4.602 1.00 0.00 C ATOM 2160 CG ARG A 138 4.733 -13.855 5.713 1.00 0.00 C ATOM 2161 CD ARG A 138 3.785 -15.012 5.441 1.00 0.00 C ATOM 2162 NE ARG A 138 3.550 -15.830 6.630 1.00 0.00 N ATOM 2163 CZ ARG A 138 3.637 -17.162 6.647 1.00 0.00 C ATOM 2164 NH1 ARG A 138 4.066 -17.819 5.574 1.00 0.00 N ATOM 2165 NH2 ARG A 138 3.318 -17.837 7.745 1.00 0.00 N ATOM 0 H ARG A 138 7.102 -13.117 4.346 1.00 0.00 H new ATOM 0 HA ARG A 138 4.841 -14.239 2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 138 5.193 -11.920 4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 138 3.639 -12.550 4.421 1.00 0.00 H new ATOM 0 HG2 ARG A 138 5.751 -14.232 5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.473 -13.385 6.661 1.00 0.00 H new ATOM 0 HD2 ARG A 138 2.834 -14.622 5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.197 -15.637 4.649 1.00 0.00 H new ATOM 0 HE ARG A 138 3.305 -15.354 7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 138 4.330 -17.305 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 138 4.131 -18.837 5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 138 3.006 -17.338 8.578 1.00 0.00 H new ATOM 0 HH22 ARG A 138 3.385 -18.855 7.756 1.00 0.00 H new ATOM 2179 N MET A 139 6.001 -11.355 2.022 1.00 0.00 N ATOM 2180 CA MET A 139 5.882 -10.287 1.026 1.00 0.00 C ATOM 2181 C MET A 139 5.790 -10.845 -0.394 1.00 0.00 C ATOM 2182 O MET A 139 5.292 -10.179 -1.301 1.00 0.00 O ATOM 2183 CB MET A 139 7.074 -9.331 1.130 1.00 0.00 C ATOM 2184 CG MET A 139 7.001 -8.370 2.307 1.00 0.00 C ATOM 2185 SD MET A 139 6.303 -6.758 1.867 1.00 0.00 S ATOM 2186 CE MET A 139 4.681 -7.206 1.257 1.00 0.00 C ATOM 0 H MET A 139 6.868 -11.329 2.559 1.00 0.00 H new ATOM 0 HA MET A 139 4.960 -9.745 1.235 1.00 0.00 H new ATOM 0 HB2 MET A 139 7.990 -9.917 1.210 1.00 0.00 H new ATOM 0 HB3 MET A 139 7.144 -8.754 0.208 1.00 0.00 H new ATOM 0 HG2 MET A 139 6.397 -8.817 3.096 1.00 0.00 H new ATOM 0 HG3 MET A 139 8.002 -8.227 2.714 1.00 0.00 H new ATOM 0 HE1 MET A 139 4.113 -6.302 1.036 1.00 0.00 H new ATOM 0 HE2 MET A 139 4.785 -7.800 0.349 1.00 0.00 H new ATOM 0 HE3 MET A 139 4.156 -7.789 2.014 1.00 0.00 H new ATOM 2196 N ALA A 140 6.248 -12.079 -0.573 1.00 0.00 N ATOM 2197 CA ALA A 140 6.245 -12.716 -1.885 1.00 0.00 C ATOM 2198 C ALA A 140 4.846 -13.182 -2.283 1.00 0.00 C ATOM 2199 O ALA A 140 4.641 -13.680 -3.393 1.00 0.00 O ATOM 2200 CB ALA A 140 7.214 -13.884 -1.904 1.00 0.00 C ATOM 0 H ALA A 140 6.627 -12.659 0.175 1.00 0.00 H new ATOM 0 HA ALA A 140 6.566 -11.973 -2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 140 7.202 -14.351 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 140 8.220 -13.526 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 140 6.917 -14.615 -1.152 1.00 0.00 H new ATOM 2206 N TYR A 141 3.886 -13.020 -1.378 1.00 0.00 N ATOM 2207 CA TYR A 141 2.505 -13.376 -1.659 1.00 0.00 C ATOM 2208 C TYR A 141 1.766 -12.206 -2.309 1.00 0.00 C ATOM 2209 O TYR A 141 0.570 -12.294 -2.589 1.00 0.00 O ATOM 2210 CB TYR A 141 1.775 -13.788 -0.376 1.00 0.00 C ATOM 2211 CG TYR A 141 2.249 -15.090 0.234 1.00 0.00 C ATOM 2212 CD1 TYR A 141 2.459 -16.216 -0.550 1.00 0.00 C ATOM 2213 CD2 TYR A 141 2.459 -15.198 1.602 1.00 0.00 C ATOM 2214 CE1 TYR A 141 2.867 -17.412 0.011 1.00 0.00 C ATOM 2215 CE2 TYR A 141 2.871 -16.389 2.172 1.00 0.00 C ATOM 2216 CZ TYR A 141 3.072 -17.493 1.372 1.00 0.00 C ATOM 2217 OH TYR A 141 3.476 -18.687 1.934 1.00 0.00 O ATOM 0 H TYR A 141 4.042 -12.644 -0.443 1.00 0.00 H new ATOM 0 HA TYR A 141 2.516 -14.220 -2.348 1.00 0.00 H new ATOM 0 HB2 TYR A 141 1.890 -12.994 0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 141 0.710 -13.871 -0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 141 2.301 -16.157 -1.617 1.00 0.00 H new ATOM 0 HD2 TYR A 141 2.298 -14.336 2.233 1.00 0.00 H new ATOM 0 HE1 TYR A 141 3.024 -18.279 -0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 141 3.034 -16.453 3.238 1.00 0.00 H new ATOM 0 HH TYR A 141 3.576 -18.575 2.902 1.00 0.00 H new ATOM 2227 N CYS A 142 2.478 -11.114 -2.547 1.00 0.00 N ATOM 2228 CA CYS A 142 1.879 -9.923 -3.108 1.00 0.00 C ATOM 2229 C CYS A 142 2.504 -9.590 -4.456 1.00 0.00 C ATOM 2230 O CYS A 142 3.667 -9.907 -4.716 1.00 0.00 O ATOM 2231 CB CYS A 142 2.046 -8.745 -2.144 1.00 0.00 C ATOM 2232 SG CYS A 142 1.308 -9.018 -0.516 1.00 0.00 S ATOM 0 H CYS A 142 3.477 -11.033 -2.357 1.00 0.00 H new ATOM 0 HA CYS A 142 0.816 -10.110 -3.258 1.00 0.00 H new ATOM 0 HB2 CYS A 142 3.109 -8.538 -2.020 1.00 0.00 H new ATOM 0 HB3 CYS A 142 1.598 -7.857 -2.590 1.00 0.00 H new ATOM 0 HG CYS A 142 2.249 -9.121 0.375 1.00 0.00 H new ATOM 2238 N LEU A 143 1.715 -8.965 -5.308 1.00 0.00 N ATOM 2239 CA LEU A 143 2.186 -8.518 -6.611 1.00 0.00 C ATOM 2240 C LEU A 143 2.952 -7.213 -6.456 1.00 0.00 C ATOM 2241 O LEU A 143 2.715 -6.461 -5.514 1.00 0.00 O ATOM 2242 CB LEU A 143 1.013 -8.326 -7.586 1.00 0.00 C ATOM 2243 CG LEU A 143 0.308 -9.602 -8.049 1.00 0.00 C ATOM 2244 CD1 LEU A 143 -0.529 -10.221 -6.938 1.00 0.00 C ATOM 2245 CD2 LEU A 143 -0.559 -9.316 -9.262 1.00 0.00 C ATOM 0 H LEU A 143 0.735 -8.752 -5.122 1.00 0.00 H new ATOM 0 HA LEU A 143 2.846 -9.283 -7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 143 0.275 -7.679 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 143 1.381 -7.799 -8.466 1.00 0.00 H new ATOM 0 HG LEU A 143 1.079 -10.322 -8.322 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.013 -11.125 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 143 0.114 -10.473 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -1.288 -9.509 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -1.054 -10.234 -9.580 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -1.310 -8.569 -9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.064 -8.940 -10.074 1.00 0.00 H new ATOM 2257 N VAL A 144 3.857 -6.936 -7.379 1.00 0.00 N ATOM 2258 CA VAL A 144 4.704 -5.764 -7.278 1.00 0.00 C ATOM 2259 C VAL A 144 4.389 -4.787 -8.401 1.00 0.00 C ATOM 2260 O VAL A 144 4.561 -5.099 -9.582 1.00 0.00 O ATOM 2261 CB VAL A 144 6.198 -6.151 -7.323 1.00 0.00 C ATOM 2262 CG1 VAL A 144 7.079 -4.919 -7.199 1.00 0.00 C ATOM 2263 CG2 VAL A 144 6.522 -7.155 -6.226 1.00 0.00 C ATOM 0 H VAL A 144 4.023 -7.508 -8.207 1.00 0.00 H new ATOM 0 HA VAL A 144 4.502 -5.286 -6.319 1.00 0.00 H new ATOM 0 HB VAL A 144 6.401 -6.617 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 144 8.127 -5.216 -7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 144 6.868 -4.237 -8.022 1.00 0.00 H new ATOM 0 HG13 VAL A 144 6.874 -4.419 -6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 144 7.579 -7.416 -6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 144 6.299 -6.716 -5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 144 5.920 -8.053 -6.365 1.00 0.00 H new ATOM 2273 N TYR A 145 3.910 -3.616 -8.024 1.00 0.00 N ATOM 2274 CA TYR A 145 3.581 -2.572 -8.978 1.00 0.00 C ATOM 2275 C TYR A 145 4.452 -1.345 -8.759 1.00 0.00 C ATOM 2276 O TYR A 145 4.535 -0.818 -7.648 1.00 0.00 O ATOM 2277 CB TYR A 145 2.105 -2.192 -8.871 1.00 0.00 C ATOM 2278 CG TYR A 145 1.190 -3.078 -9.685 1.00 0.00 C ATOM 2279 CD1 TYR A 145 0.815 -4.338 -9.233 1.00 0.00 C ATOM 2280 CD2 TYR A 145 0.707 -2.653 -10.914 1.00 0.00 C ATOM 2281 CE1 TYR A 145 -0.017 -5.145 -9.986 1.00 0.00 C ATOM 2282 CE2 TYR A 145 -0.123 -3.456 -11.673 1.00 0.00 C ATOM 2283 CZ TYR A 145 -0.482 -4.700 -11.205 1.00 0.00 C ATOM 2284 OH TYR A 145 -1.302 -5.502 -11.965 1.00 0.00 O ATOM 0 H TYR A 145 3.738 -3.362 -7.051 1.00 0.00 H new ATOM 0 HA TYR A 145 3.772 -2.959 -9.979 1.00 0.00 H new ATOM 0 HB2 TYR A 145 1.802 -2.236 -7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 145 1.980 -1.159 -9.196 1.00 0.00 H new ATOM 0 HD1 TYR A 145 1.179 -4.691 -8.280 1.00 0.00 H new ATOM 0 HD2 TYR A 145 0.985 -1.677 -11.284 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -0.302 -6.121 -9.621 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -0.488 -3.109 -12.628 1.00 0.00 H new ATOM 0 HH TYR A 145 -2.239 -5.293 -11.767 1.00 0.00 H new ATOM 2294 N GLU A 146 5.097 -0.902 -9.825 1.00 0.00 N ATOM 2295 CA GLU A 146 5.970 0.258 -9.773 1.00 0.00 C ATOM 2296 C GLU A 146 5.242 1.510 -10.256 1.00 0.00 C ATOM 2297 O GLU A 146 4.845 1.610 -11.420 1.00 0.00 O ATOM 2298 CB GLU A 146 7.228 0.011 -10.606 1.00 0.00 C ATOM 2299 CG GLU A 146 6.942 -0.609 -11.965 1.00 0.00 C ATOM 2300 CD GLU A 146 8.200 -0.916 -12.740 1.00 0.00 C ATOM 2301 OE1 GLU A 146 8.845 -1.942 -12.441 1.00 0.00 O ATOM 2302 OE2 GLU A 146 8.541 -0.147 -13.662 1.00 0.00 O ATOM 0 H GLU A 146 5.031 -1.334 -10.747 1.00 0.00 H new ATOM 0 HA GLU A 146 6.265 0.420 -8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 146 7.751 0.957 -10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 146 7.900 -0.644 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 146 6.371 -1.527 -11.828 1.00 0.00 H new ATOM 0 HG3 GLU A 146 6.319 0.070 -12.546 1.00 0.00 H new