USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=22 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= 0.0417 K(o=0.081,f=-0.63) USER MOD Set 1.2: A 112 ASN : amide:sc= 0.0393 X(o=0.081,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -115:sc= -1.39 (180deg=-3.79!) USER MOD Single : A 35 HIS : no HD1:sc= -0.0433 X(o=-0.043,f=0) USER MOD Single : A 37 GLN : amide:sc= 0.969 K(o=0.97,f=-0.38) USER MOD Single : A 40 TYR OH : rot 171:sc= -1.87 USER MOD Single : A 50 SER OG : rot -138:sc= 1.26 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.868 X(o=-0.87,f=-0.47) USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= 1.13 (180deg=0.7) USER MOD Single : A 66 ASN : amide:sc= -1.12! C(o=-1.1!,f=-2.8!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -140:sc= -0.0547 (180deg=-0.497) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 1.14 K(o=1.1,f=-0.21) USER MOD Single : A 94 LYS NZ :NH3+ -144:sc= 1.19 (180deg=0.342) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 100 GLN : amide:sc= 1.38 K(o=1.4,f=-6.9!) USER MOD Single : A 105 SER OG : rot 78:sc= 1.16 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0.465 (180deg=0.465) USER MOD Single : A 122 SER OG : rot -10:sc= 0.833 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 127 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 128 GLN :FLIP amide:sc= -0.0327 F(o=-1,f=-0.033) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 139 MET CE :methyl -111:sc= -0.374 (180deg=-2.51) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 CYS SG : rot 180:sc= -1.49 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 540 N LYS A 34 -10.224 0.872 -8.100 1.00 0.00 N ATOM 541 CA LYS A 34 -9.805 -0.099 -7.094 1.00 0.00 C ATOM 542 C LYS A 34 -8.726 -1.030 -7.655 1.00 0.00 C ATOM 543 O LYS A 34 -8.489 -1.064 -8.863 1.00 0.00 O ATOM 544 CB LYS A 34 -11.020 -0.907 -6.633 1.00 0.00 C ATOM 545 CG LYS A 34 -10.839 -1.610 -5.297 1.00 0.00 C ATOM 546 CD LYS A 34 -12.076 -2.409 -4.893 1.00 0.00 C ATOM 547 CE LYS A 34 -13.306 -1.525 -4.712 1.00 0.00 C ATOM 548 NZ LYS A 34 -13.964 -1.176 -6.003 1.00 0.00 N ATOM 0 HA LYS A 34 -9.380 0.432 -6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.880 -0.240 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.254 -1.653 -7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.980 -2.278 -5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.618 -0.871 -4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.282 -3.163 -5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.874 -2.941 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.024 -2.037 -4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.016 -0.608 -4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.892 -0.151 -6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.494 -1.682 -6.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.966 -1.451 -5.967 1.00 0.00 H new ATOM 562 N HIS A 35 -8.076 -1.786 -6.776 1.00 0.00 N ATOM 563 CA HIS A 35 -6.979 -2.664 -7.173 1.00 0.00 C ATOM 564 C HIS A 35 -7.275 -4.112 -6.784 1.00 0.00 C ATOM 565 O HIS A 35 -8.392 -4.433 -6.380 1.00 0.00 O ATOM 566 CB HIS A 35 -5.661 -2.206 -6.536 1.00 0.00 C ATOM 567 CG HIS A 35 -5.210 -0.851 -6.993 1.00 0.00 C ATOM 568 ND1 HIS A 35 -4.354 -0.663 -8.053 1.00 0.00 N ATOM 569 CD2 HIS A 35 -5.501 0.386 -6.525 1.00 0.00 C ATOM 570 CE1 HIS A 35 -4.140 0.626 -8.220 1.00 0.00 C ATOM 571 NE2 HIS A 35 -4.824 1.289 -7.306 1.00 0.00 N ATOM 0 H HIS A 35 -8.291 -1.809 -5.779 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.880 -2.609 -8.257 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.776 -2.194 -5.452 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.884 -2.935 -6.766 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.147 0.619 -5.691 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.510 1.067 -8.978 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.846 2.303 -7.198 1.00 0.00 H new ATOM 580 N GLY A 36 -6.260 -4.968 -6.896 1.00 0.00 N ATOM 581 CA GLY A 36 -6.424 -6.391 -6.628 1.00 0.00 C ATOM 582 C GLY A 36 -6.439 -6.730 -5.147 1.00 0.00 C ATOM 583 O GLY A 36 -6.636 -5.852 -4.304 1.00 0.00 O ATOM 0 H GLY A 36 -5.316 -4.698 -7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.355 -6.733 -7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.615 -6.939 -7.110 1.00 0.00 H new ATOM 587 N GLN A 37 -6.213 -8.004 -4.836 1.00 0.00 N ATOM 588 CA GLN A 37 -6.292 -8.493 -3.467 1.00 0.00 C ATOM 589 C GLN A 37 -4.995 -8.225 -2.710 1.00 0.00 C ATOM 590 O GLN A 37 -4.979 -7.474 -1.738 1.00 0.00 O ATOM 591 CB GLN A 37 -6.605 -9.994 -3.456 1.00 0.00 C ATOM 592 CG GLN A 37 -7.186 -10.478 -2.139 1.00 0.00 C ATOM 593 CD GLN A 37 -7.385 -11.982 -2.088 1.00 0.00 C ATOM 594 OE1 GLN A 37 -7.577 -12.637 -3.114 1.00 0.00 O ATOM 595 NE2 GLN A 37 -7.370 -12.536 -0.888 1.00 0.00 N ATOM 0 H GLN A 37 -5.972 -8.720 -5.522 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.097 -7.956 -2.965 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.308 -10.217 -4.259 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.692 -10.550 -3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.525 -10.178 -1.326 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.144 -9.986 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.208 -11.960 -0.062 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.521 -13.540 -0.788 1.00 0.00 H new ATOM 604 N PHE A 38 -3.913 -8.855 -3.151 1.00 0.00 N ATOM 605 CA PHE A 38 -2.603 -8.658 -2.538 1.00 0.00 C ATOM 606 C PHE A 38 -1.645 -8.025 -3.537 1.00 0.00 C ATOM 607 O PHE A 38 -1.193 -8.684 -4.478 1.00 0.00 O ATOM 608 CB PHE A 38 -2.016 -9.986 -2.052 1.00 0.00 C ATOM 609 CG PHE A 38 -2.843 -10.695 -1.017 1.00 0.00 C ATOM 610 CD1 PHE A 38 -3.015 -10.153 0.246 1.00 0.00 C ATOM 611 CD2 PHE A 38 -3.444 -11.910 -1.308 1.00 0.00 C ATOM 612 CE1 PHE A 38 -3.770 -10.806 1.200 1.00 0.00 C ATOM 613 CE2 PHE A 38 -4.200 -12.569 -0.358 1.00 0.00 C ATOM 614 CZ PHE A 38 -4.364 -12.015 0.900 1.00 0.00 C ATOM 0 H PHE A 38 -3.916 -9.509 -3.934 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.733 -7.996 -1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.887 -10.646 -2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.024 -9.800 -1.640 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.553 -9.207 0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.320 -12.346 -2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.896 -10.371 2.180 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.663 -13.515 -0.596 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.955 -12.527 1.645 1.00 0.00 H new ATOM 624 N ILE A 39 -1.341 -6.750 -3.339 1.00 0.00 N ATOM 625 CA ILE A 39 -0.462 -6.023 -4.247 1.00 0.00 C ATOM 626 C ILE A 39 0.530 -5.150 -3.482 1.00 0.00 C ATOM 627 O ILE A 39 0.176 -4.503 -2.495 1.00 0.00 O ATOM 628 CB ILE A 39 -1.268 -5.132 -5.227 1.00 0.00 C ATOM 629 CG1 ILE A 39 -2.169 -5.992 -6.123 1.00 0.00 C ATOM 630 CG2 ILE A 39 -0.331 -4.278 -6.079 1.00 0.00 C ATOM 631 CD1 ILE A 39 -2.988 -5.188 -7.109 1.00 0.00 C ATOM 0 H ILE A 39 -1.690 -6.196 -2.557 1.00 0.00 H new ATOM 0 HA ILE A 39 0.086 -6.773 -4.817 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.899 -4.466 -4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.550 -6.702 -6.671 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.842 -6.575 -5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.918 -3.661 -6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.266 -3.636 -5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.329 -4.926 -6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.600 -5.862 -7.708 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.633 -4.496 -6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.321 -4.626 -7.763 1.00 0.00 H new ATOM 643 N TYR A 40 1.773 -5.157 -3.939 1.00 0.00 N ATOM 644 CA TYR A 40 2.789 -4.252 -3.435 1.00 0.00 C ATOM 645 C TYR A 40 3.199 -3.273 -4.528 1.00 0.00 C ATOM 646 O TYR A 40 3.484 -3.668 -5.661 1.00 0.00 O ATOM 647 CB TYR A 40 4.019 -5.027 -2.941 1.00 0.00 C ATOM 648 CG TYR A 40 5.119 -4.135 -2.401 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.143 -3.761 -1.066 1.00 0.00 C ATOM 650 CD2 TYR A 40 6.128 -3.662 -3.231 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.135 -2.935 -0.570 1.00 0.00 C ATOM 652 CE2 TYR A 40 7.124 -2.839 -2.744 1.00 0.00 C ATOM 653 CZ TYR A 40 7.124 -2.478 -1.414 1.00 0.00 C ATOM 654 OH TYR A 40 8.111 -1.646 -0.931 1.00 0.00 O ATOM 0 H TYR A 40 2.103 -5.789 -4.668 1.00 0.00 H new ATOM 0 HA TYR A 40 2.370 -3.701 -2.593 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.711 -5.723 -2.161 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.416 -5.624 -3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.372 -4.122 -0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.133 -3.943 -4.274 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.135 -2.650 0.472 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.900 -2.479 -3.403 1.00 0.00 H new ATOM 0 HH TYR A 40 8.803 -1.527 -1.615 1.00 0.00 H new ATOM 664 N VAL A 41 3.207 -1.996 -4.190 1.00 0.00 N ATOM 665 CA VAL A 41 3.675 -0.973 -5.103 1.00 0.00 C ATOM 666 C VAL A 41 4.936 -0.317 -4.554 1.00 0.00 C ATOM 667 O VAL A 41 5.041 -0.047 -3.355 1.00 0.00 O ATOM 668 CB VAL A 41 2.594 0.098 -5.374 1.00 0.00 C ATOM 669 CG1 VAL A 41 1.401 -0.511 -6.100 1.00 0.00 C ATOM 670 CG2 VAL A 41 2.142 0.763 -4.083 1.00 0.00 C ATOM 0 H VAL A 41 2.893 -1.643 -3.286 1.00 0.00 H new ATOM 0 HA VAL A 41 3.902 -1.459 -6.052 1.00 0.00 H new ATOM 0 HB VAL A 41 3.038 0.862 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.652 0.260 -6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.729 -0.928 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.967 -1.301 -5.488 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.382 1.511 -4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.725 0.011 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.995 1.244 -3.604 1.00 0.00 H new ATOM 680 N TRP A 42 5.906 -0.087 -5.421 1.00 0.00 N ATOM 681 CA TRP A 42 7.168 0.503 -4.997 1.00 0.00 C ATOM 682 C TRP A 42 7.403 1.844 -5.684 1.00 0.00 C ATOM 683 O TRP A 42 8.467 2.445 -5.548 1.00 0.00 O ATOM 684 CB TRP A 42 8.333 -0.454 -5.280 1.00 0.00 C ATOM 685 CG TRP A 42 8.570 -0.720 -6.739 1.00 0.00 C ATOM 686 CD1 TRP A 42 7.826 -1.513 -7.566 1.00 0.00 C ATOM 687 CD2 TRP A 42 9.640 -0.202 -7.537 1.00 0.00 C ATOM 688 NE1 TRP A 42 8.364 -1.512 -8.830 1.00 0.00 N ATOM 689 CE2 TRP A 42 9.480 -0.717 -8.835 1.00 0.00 C ATOM 690 CE3 TRP A 42 10.717 0.651 -7.279 1.00 0.00 C ATOM 691 CZ2 TRP A 42 10.354 -0.407 -9.872 1.00 0.00 C ATOM 692 CZ3 TRP A 42 11.585 0.955 -8.309 1.00 0.00 C ATOM 693 CH2 TRP A 42 11.400 0.425 -9.590 1.00 0.00 C ATOM 0 H TRP A 42 5.847 -0.297 -6.417 1.00 0.00 H new ATOM 0 HA TRP A 42 7.114 0.677 -3.922 1.00 0.00 H new ATOM 0 HB2 TRP A 42 9.243 -0.040 -4.845 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.141 -1.401 -4.776 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.944 -2.061 -7.269 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.993 -2.020 -9.633 1.00 0.00 H new ATOM 0 HE3 TRP A 42 10.867 1.064 -6.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.211 -0.810 -10.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 12.421 1.613 -8.122 1.00 0.00 H new ATOM 0 HH2 TRP A 42 12.099 0.679 -10.373 1.00 0.00 H new ATOM 787 N SER A 50 0.645 7.346 0.105 1.00 0.00 N ATOM 788 CA SER A 50 -0.688 6.739 0.088 1.00 0.00 C ATOM 789 C SER A 50 -1.549 7.193 -1.105 1.00 0.00 C ATOM 790 O SER A 50 -2.775 7.169 -1.012 1.00 0.00 O ATOM 791 CB SER A 50 -1.426 7.085 1.389 1.00 0.00 C ATOM 792 OG SER A 50 -0.532 7.199 2.489 1.00 0.00 O ATOM 0 HA SER A 50 -0.539 5.664 -0.009 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.967 8.023 1.262 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.168 6.315 1.602 1.00 0.00 H new ATOM 0 HG SER A 50 -0.926 6.769 3.277 1.00 0.00 H new ATOM 798 N HIS A 51 -0.931 7.558 -2.228 1.00 0.00 N ATOM 799 CA HIS A 51 -1.682 8.130 -3.352 1.00 0.00 C ATOM 800 C HIS A 51 -2.687 7.129 -3.913 1.00 0.00 C ATOM 801 O HIS A 51 -3.891 7.377 -3.909 1.00 0.00 O ATOM 802 CB HIS A 51 -0.738 8.598 -4.468 1.00 0.00 C ATOM 803 CG HIS A 51 -0.024 9.880 -4.167 1.00 0.00 C ATOM 804 ND1 HIS A 51 0.457 10.717 -5.148 1.00 0.00 N ATOM 805 CD2 HIS A 51 0.290 10.471 -2.990 1.00 0.00 C ATOM 806 CE1 HIS A 51 1.036 11.762 -4.592 1.00 0.00 C ATOM 807 NE2 HIS A 51 0.947 11.636 -3.283 1.00 0.00 N ATOM 0 H HIS A 51 0.073 7.471 -2.386 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.227 8.993 -2.969 1.00 0.00 H new ATOM 0 HB2 HIS A 51 0.001 7.819 -4.655 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -1.312 8.721 -5.387 1.00 0.00 H new ATOM 0 HD2 HIS A 51 0.064 10.094 -2.004 1.00 0.00 H new ATOM 0 HE1 HIS A 51 1.503 12.581 -5.118 1.00 0.00 H new ATOM 0 HE2 HIS A 51 1.309 12.300 -2.598 1.00 0.00 H new ATOM 816 N LEU A 52 -2.192 5.992 -4.382 1.00 0.00 N ATOM 817 CA LEU A 52 -3.064 4.947 -4.900 1.00 0.00 C ATOM 818 C LEU A 52 -3.707 4.166 -3.756 1.00 0.00 C ATOM 819 O LEU A 52 -4.777 3.576 -3.913 1.00 0.00 O ATOM 820 CB LEU A 52 -2.308 4.024 -5.874 1.00 0.00 C ATOM 821 CG LEU A 52 -1.072 3.303 -5.325 1.00 0.00 C ATOM 822 CD1 LEU A 52 -1.455 1.988 -4.659 1.00 0.00 C ATOM 823 CD2 LEU A 52 -0.067 3.060 -6.439 1.00 0.00 C ATOM 0 H LEU A 52 -1.197 5.770 -4.415 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.866 5.419 -5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.006 3.271 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.000 4.618 -6.735 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.614 3.942 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.559 1.498 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.139 2.184 -3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.942 1.339 -5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.806 2.547 -6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.524 2.444 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.239 4.014 -6.868 1.00 0.00 H new ATOM 835 N LEU A 53 -3.041 4.171 -2.606 1.00 0.00 N ATOM 836 CA LEU A 53 -3.477 3.389 -1.454 1.00 0.00 C ATOM 837 C LEU A 53 -4.759 3.953 -0.845 1.00 0.00 C ATOM 838 O LEU A 53 -5.683 3.205 -0.538 1.00 0.00 O ATOM 839 CB LEU A 53 -2.379 3.327 -0.381 1.00 0.00 C ATOM 840 CG LEU A 53 -1.089 2.594 -0.779 1.00 0.00 C ATOM 841 CD1 LEU A 53 -0.188 3.483 -1.624 1.00 0.00 C ATOM 842 CD2 LEU A 53 -0.349 2.113 0.458 1.00 0.00 C ATOM 0 H LEU A 53 -2.191 4.712 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.680 2.380 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.120 4.346 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.791 2.842 0.504 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.367 1.729 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.717 2.936 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.715 3.777 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.080 4.374 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.563 1.596 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.092 2.968 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.986 1.430 1.020 1.00 0.00 H new ATOM 854 N GLN A 54 -4.816 5.274 -0.684 1.00 0.00 N ATOM 855 CA GLN A 54 -5.962 5.920 -0.050 1.00 0.00 C ATOM 856 C GLN A 54 -7.201 5.772 -0.925 1.00 0.00 C ATOM 857 O GLN A 54 -8.311 5.583 -0.424 1.00 0.00 O ATOM 858 CB GLN A 54 -5.663 7.402 0.210 1.00 0.00 C ATOM 859 CG GLN A 54 -6.636 8.068 1.172 1.00 0.00 C ATOM 860 CD GLN A 54 -6.335 9.541 1.378 1.00 0.00 C ATOM 861 OE1 GLN A 54 -6.861 10.397 0.674 1.00 0.00 O ATOM 862 NE2 GLN A 54 -5.478 9.844 2.341 1.00 0.00 N ATOM 0 H GLN A 54 -4.083 5.916 -0.984 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.152 5.433 0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.653 7.494 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.681 7.938 -0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.651 7.958 0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.599 7.555 2.133 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.062 9.103 2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.234 10.818 2.519 1.00 0.00 H new ATOM 871 N ALA A 55 -6.992 5.839 -2.235 1.00 0.00 N ATOM 872 CA ALA A 55 -8.070 5.665 -3.202 1.00 0.00 C ATOM 873 C ALA A 55 -8.662 4.265 -3.101 1.00 0.00 C ATOM 874 O ALA A 55 -9.884 4.090 -3.107 1.00 0.00 O ATOM 875 CB ALA A 55 -7.552 5.915 -4.610 1.00 0.00 C ATOM 0 H ALA A 55 -6.079 6.014 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.855 6.387 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.364 5.783 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.168 6.933 -4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.752 5.209 -4.834 1.00 0.00 H new ATOM 881 N TRP A 56 -7.779 3.280 -2.993 1.00 0.00 N ATOM 882 CA TRP A 56 -8.170 1.878 -2.892 1.00 0.00 C ATOM 883 C TRP A 56 -9.055 1.659 -1.668 1.00 0.00 C ATOM 884 O TRP A 56 -10.094 0.999 -1.745 1.00 0.00 O ATOM 885 CB TRP A 56 -6.906 1.015 -2.810 1.00 0.00 C ATOM 886 CG TRP A 56 -7.150 -0.461 -2.729 1.00 0.00 C ATOM 887 CD1 TRP A 56 -7.591 -1.274 -3.729 1.00 0.00 C ATOM 888 CD2 TRP A 56 -6.937 -1.303 -1.592 1.00 0.00 C ATOM 889 NE1 TRP A 56 -7.662 -2.574 -3.287 1.00 0.00 N ATOM 890 CE2 TRP A 56 -7.268 -2.614 -1.976 1.00 0.00 C ATOM 891 CE3 TRP A 56 -6.498 -1.075 -0.286 1.00 0.00 C ATOM 892 CZ2 TRP A 56 -7.175 -3.692 -1.103 1.00 0.00 C ATOM 893 CZ3 TRP A 56 -6.405 -2.147 0.582 1.00 0.00 C ATOM 894 CH2 TRP A 56 -6.742 -3.441 0.170 1.00 0.00 C ATOM 0 H TRP A 56 -6.770 3.430 -2.973 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.745 1.593 -3.773 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -6.288 1.218 -3.685 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.331 1.321 -1.936 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -7.848 -0.945 -4.725 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -7.959 -3.376 -3.843 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.236 -0.079 0.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.435 -4.692 -1.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -6.067 -1.983 1.594 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.659 -4.258 0.871 1.00 0.00 H new ATOM 905 N VAL A 57 -8.643 2.240 -0.548 1.00 0.00 N ATOM 906 CA VAL A 57 -9.377 2.107 0.705 1.00 0.00 C ATOM 907 C VAL A 57 -10.747 2.776 0.624 1.00 0.00 C ATOM 908 O VAL A 57 -11.760 2.173 0.977 1.00 0.00 O ATOM 909 CB VAL A 57 -8.577 2.708 1.883 1.00 0.00 C ATOM 910 CG1 VAL A 57 -9.391 2.705 3.170 1.00 0.00 C ATOM 911 CG2 VAL A 57 -7.279 1.947 2.076 1.00 0.00 C ATOM 0 H VAL A 57 -7.800 2.811 -0.482 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.521 1.041 0.879 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.349 3.745 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.797 3.135 3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.295 3.297 3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.664 1.681 3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.724 2.379 2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.499 0.901 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.680 2.013 1.168 1.00 0.00 H new ATOM 921 N ALA A 58 -10.776 4.017 0.147 1.00 0.00 N ATOM 922 CA ALA A 58 -12.021 4.780 0.068 1.00 0.00 C ATOM 923 C ALA A 58 -13.039 4.087 -0.833 1.00 0.00 C ATOM 924 O ALA A 58 -14.236 4.068 -0.537 1.00 0.00 O ATOM 925 CB ALA A 58 -11.746 6.194 -0.423 1.00 0.00 C ATOM 0 H ALA A 58 -9.953 4.517 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.447 4.835 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.682 6.749 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.067 6.693 0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.291 6.153 -1.413 1.00 0.00 H new ATOM 931 N GLN A 59 -12.561 3.510 -1.929 1.00 0.00 N ATOM 932 CA GLN A 59 -13.434 2.791 -2.847 1.00 0.00 C ATOM 933 C GLN A 59 -14.017 1.549 -2.189 1.00 0.00 C ATOM 934 O GLN A 59 -15.184 1.222 -2.398 1.00 0.00 O ATOM 935 CB GLN A 59 -12.685 2.407 -4.121 1.00 0.00 C ATOM 936 CG GLN A 59 -12.537 3.553 -5.104 1.00 0.00 C ATOM 937 CD GLN A 59 -13.877 4.081 -5.581 1.00 0.00 C ATOM 938 OE1 GLN A 59 -14.435 3.587 -6.561 1.00 0.00 O ATOM 939 NE2 GLN A 59 -14.402 5.084 -4.896 1.00 0.00 N ATOM 0 H GLN A 59 -11.578 3.526 -2.202 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.255 3.458 -3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.695 2.038 -3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.211 1.586 -4.609 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.977 4.362 -4.634 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.954 3.219 -5.963 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -13.907 5.465 -4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -15.301 5.476 -5.174 1.00 0.00 H new ATOM 948 N ALA A 60 -13.204 0.863 -1.396 1.00 0.00 N ATOM 949 CA ALA A 60 -13.658 -0.319 -0.675 1.00 0.00 C ATOM 950 C ALA A 60 -14.688 0.065 0.382 1.00 0.00 C ATOM 951 O ALA A 60 -15.684 -0.633 0.575 1.00 0.00 O ATOM 952 CB ALA A 60 -12.480 -1.029 -0.034 1.00 0.00 C ATOM 0 H ALA A 60 -12.226 1.105 -1.236 1.00 0.00 H new ATOM 0 HA ALA A 60 -14.129 -0.999 -1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.834 -1.910 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.774 -1.333 -0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.985 -0.355 0.665 1.00 0.00 H new ATOM 958 N LEU A 61 -14.440 1.189 1.043 1.00 0.00 N ATOM 959 CA LEU A 61 -15.335 1.711 2.069 1.00 0.00 C ATOM 960 C LEU A 61 -16.724 1.988 1.506 1.00 0.00 C ATOM 961 O LEU A 61 -17.732 1.557 2.069 1.00 0.00 O ATOM 962 CB LEU A 61 -14.744 2.992 2.670 1.00 0.00 C ATOM 963 CG LEU A 61 -13.527 2.786 3.571 1.00 0.00 C ATOM 964 CD1 LEU A 61 -12.973 4.125 4.026 1.00 0.00 C ATOM 965 CD2 LEU A 61 -13.899 1.929 4.770 1.00 0.00 C ATOM 0 H LEU A 61 -13.613 1.764 0.883 1.00 0.00 H new ATOM 0 HA LEU A 61 -15.436 0.956 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.465 3.661 1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.521 3.497 3.245 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.755 2.269 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -12.107 3.961 4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.675 4.710 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.739 4.666 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.023 1.790 5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.685 2.423 5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.256 0.958 4.427 1.00 0.00 H new ATOM 977 N GLU A 62 -16.777 2.689 0.383 1.00 0.00 N ATOM 978 CA GLU A 62 -18.054 3.038 -0.231 1.00 0.00 C ATOM 979 C GLU A 62 -18.656 1.848 -0.960 1.00 0.00 C ATOM 980 O GLU A 62 -19.820 1.872 -1.358 1.00 0.00 O ATOM 981 CB GLU A 62 -17.891 4.224 -1.176 1.00 0.00 C ATOM 982 CG GLU A 62 -17.426 5.472 -0.463 1.00 0.00 C ATOM 983 CD GLU A 62 -17.432 6.684 -1.360 1.00 0.00 C ATOM 984 OE1 GLU A 62 -18.532 7.194 -1.656 1.00 0.00 O ATOM 985 OE2 GLU A 62 -16.346 7.129 -1.782 1.00 0.00 O ATOM 0 H GLU A 62 -15.957 3.027 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.741 3.325 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.175 3.967 -1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.842 4.424 -1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.070 5.657 0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.419 5.313 -0.079 1.00 0.00 H new ATOM 992 N ALA A 63 -17.857 0.804 -1.126 1.00 0.00 N ATOM 993 CA ALA A 63 -18.342 -0.448 -1.694 1.00 0.00 C ATOM 994 C ALA A 63 -19.042 -1.277 -0.623 1.00 0.00 C ATOM 995 O ALA A 63 -19.538 -2.372 -0.892 1.00 0.00 O ATOM 996 CB ALA A 63 -17.200 -1.236 -2.318 1.00 0.00 C ATOM 0 H ALA A 63 -16.868 0.798 -0.875 1.00 0.00 H new ATOM 0 HA ALA A 63 -19.061 -0.214 -2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -17.585 -2.166 -2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.741 -0.645 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -16.454 -1.462 -1.556 1.00 0.00 H new ATOM 1002 N GLY A 64 -19.052 -0.757 0.601 1.00 0.00 N ATOM 1003 CA GLY A 64 -19.764 -1.410 1.682 1.00 0.00 C ATOM 1004 C GLY A 64 -18.888 -2.373 2.449 1.00 0.00 C ATOM 1005 O GLY A 64 -19.369 -3.124 3.294 1.00 0.00 O ATOM 0 H GLY A 64 -18.578 0.107 0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -20.154 -0.655 2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.622 -1.947 1.277 1.00 0.00 H new ATOM 1009 N LYS A 65 -17.597 -2.353 2.159 1.00 0.00 N ATOM 1010 CA LYS A 65 -16.669 -3.257 2.802 1.00 0.00 C ATOM 1011 C LYS A 65 -15.827 -2.485 3.804 1.00 0.00 C ATOM 1012 O LYS A 65 -15.748 -1.259 3.746 1.00 0.00 O ATOM 1013 CB LYS A 65 -15.765 -3.940 1.768 1.00 0.00 C ATOM 1014 CG LYS A 65 -16.495 -4.463 0.537 1.00 0.00 C ATOM 1015 CD LYS A 65 -17.665 -5.370 0.891 1.00 0.00 C ATOM 1016 CE LYS A 65 -18.325 -5.942 -0.356 1.00 0.00 C ATOM 1017 NZ LYS A 65 -18.595 -4.897 -1.384 1.00 0.00 N ATOM 0 H LYS A 65 -17.172 -1.719 1.482 1.00 0.00 H new ATOM 0 HA LYS A 65 -17.234 -4.032 3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -15.001 -3.232 1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -15.248 -4.771 2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.859 -3.620 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -15.793 -5.011 -0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -17.316 -6.185 1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -18.400 -4.809 1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -17.682 -6.712 -0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -19.261 -6.426 -0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -19.347 -5.225 -2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -18.897 -4.019 -0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.729 -4.717 -1.932 1.00 0.00 H new ATOM 1031 N ASN A 66 -15.210 -3.200 4.721 1.00 0.00 N ATOM 1032 CA ASN A 66 -14.398 -2.555 5.739 1.00 0.00 C ATOM 1033 C ASN A 66 -12.968 -2.411 5.251 1.00 0.00 C ATOM 1034 O ASN A 66 -12.383 -3.366 4.735 1.00 0.00 O ATOM 1035 CB ASN A 66 -14.421 -3.346 7.047 1.00 0.00 C ATOM 1036 CG ASN A 66 -13.957 -2.506 8.224 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -14.035 -1.276 8.189 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -13.490 -3.154 9.279 1.00 0.00 N ATOM 0 H ASN A 66 -15.252 -4.217 4.785 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.818 -1.567 5.929 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.432 -3.708 7.235 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.781 -4.223 6.952 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.179 -2.635 10.100 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -13.441 -4.173 9.271 1.00 0.00 H new ATOM 1045 N ALA A 67 -12.405 -1.232 5.439 1.00 0.00 N ATOM 1046 CA ALA A 67 -11.066 -0.938 4.964 1.00 0.00 C ATOM 1047 C ALA A 67 -10.379 0.062 5.881 1.00 0.00 C ATOM 1048 O ALA A 67 -11.042 0.819 6.593 1.00 0.00 O ATOM 1049 CB ALA A 67 -11.120 -0.409 3.539 1.00 0.00 C ATOM 0 H ALA A 67 -12.859 -0.456 5.922 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.484 -1.860 4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.109 -0.192 3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.573 -1.158 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -11.717 0.503 3.512 1.00 0.00 H new ATOM 1055 N ALA A 68 -9.059 0.046 5.877 1.00 0.00 N ATOM 1056 CA ALA A 68 -8.285 0.973 6.681 1.00 0.00 C ATOM 1057 C ALA A 68 -6.922 1.220 6.053 1.00 0.00 C ATOM 1058 O ALA A 68 -6.283 0.293 5.553 1.00 0.00 O ATOM 1059 CB ALA A 68 -8.116 0.437 8.095 1.00 0.00 C ATOM 0 H ALA A 68 -8.499 -0.602 5.323 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.825 1.919 6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.533 1.144 8.685 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.096 0.303 8.553 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.598 -0.521 8.061 1.00 0.00 H new ATOM 1065 N TYR A 69 -6.491 2.471 6.066 1.00 0.00 N ATOM 1066 CA TYR A 69 -5.166 2.828 5.595 1.00 0.00 C ATOM 1067 C TYR A 69 -4.303 3.215 6.784 1.00 0.00 C ATOM 1068 O TYR A 69 -4.722 3.993 7.643 1.00 0.00 O ATOM 1069 CB TYR A 69 -5.226 3.971 4.567 1.00 0.00 C ATOM 1070 CG TYR A 69 -5.819 5.267 5.088 1.00 0.00 C ATOM 1071 CD1 TYR A 69 -7.196 5.451 5.146 1.00 0.00 C ATOM 1072 CD2 TYR A 69 -5.003 6.307 5.518 1.00 0.00 C ATOM 1073 CE1 TYR A 69 -7.740 6.631 5.618 1.00 0.00 C ATOM 1074 CE2 TYR A 69 -5.540 7.489 5.990 1.00 0.00 C ATOM 1075 CZ TYR A 69 -6.908 7.646 6.038 1.00 0.00 C ATOM 1076 OH TYR A 69 -7.446 8.822 6.508 1.00 0.00 O ATOM 0 H TYR A 69 -7.045 3.260 6.400 1.00 0.00 H new ATOM 0 HA TYR A 69 -4.726 1.967 5.092 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -4.217 4.169 4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.812 3.639 3.710 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.852 4.659 4.817 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.930 6.189 5.482 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.812 6.757 5.657 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.891 8.286 6.320 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.724 9.433 6.764 1.00 0.00 H new ATOM 1086 N ILE A 70 -3.125 2.639 6.855 1.00 0.00 N ATOM 1087 CA ILE A 70 -2.215 2.912 7.947 1.00 0.00 C ATOM 1088 C ILE A 70 -0.886 3.407 7.408 1.00 0.00 C ATOM 1089 O ILE A 70 -0.159 2.677 6.735 1.00 0.00 O ATOM 1090 CB ILE A 70 -1.998 1.659 8.823 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.341 1.172 9.385 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -1.021 1.956 9.951 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -3.251 -0.118 10.174 1.00 0.00 C ATOM 0 H ILE A 70 -2.772 1.975 6.166 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.661 3.687 8.571 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.571 0.870 8.205 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.757 1.949 10.026 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.039 1.032 8.559 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.882 1.061 10.557 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.063 2.263 9.531 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.418 2.758 10.574 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.242 -0.393 10.536 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.866 -0.911 9.533 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.580 0.020 11.022 1.00 0.00 H new ATOM 1105 N ASP A 71 -0.585 4.656 7.697 1.00 0.00 N ATOM 1106 CA ASP A 71 0.649 5.260 7.235 1.00 0.00 C ATOM 1107 C ASP A 71 1.675 5.185 8.347 1.00 0.00 C ATOM 1108 O ASP A 71 1.537 5.868 9.354 1.00 0.00 O ATOM 1109 CB ASP A 71 0.438 6.724 6.837 1.00 0.00 C ATOM 1110 CG ASP A 71 -0.769 6.939 5.948 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -0.900 6.244 4.923 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -1.574 7.848 6.258 1.00 0.00 O ATOM 0 H ASP A 71 -1.178 5.274 8.250 1.00 0.00 H new ATOM 0 HA ASP A 71 0.995 4.717 6.355 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.327 7.325 7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.328 7.084 6.321 1.00 0.00 H new ATOM 1117 N ALA A 72 2.694 4.360 8.169 1.00 0.00 N ATOM 1118 CA ALA A 72 3.677 4.101 9.224 1.00 0.00 C ATOM 1119 C ALA A 72 4.345 5.383 9.729 1.00 0.00 C ATOM 1120 O ALA A 72 4.812 5.441 10.868 1.00 0.00 O ATOM 1121 CB ALA A 72 4.728 3.122 8.732 1.00 0.00 C ATOM 0 H ALA A 72 2.868 3.853 7.301 1.00 0.00 H new ATOM 0 HA ALA A 72 3.138 3.666 10.066 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.453 2.937 9.525 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.249 2.184 8.453 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.238 3.541 7.865 1.00 0.00 H new ATOM 1127 N ALA A 73 4.379 6.407 8.884 1.00 0.00 N ATOM 1128 CA ALA A 73 4.987 7.681 9.249 1.00 0.00 C ATOM 1129 C ALA A 73 3.924 8.722 9.579 1.00 0.00 C ATOM 1130 O ALA A 73 4.101 9.915 9.328 1.00 0.00 O ATOM 1131 CB ALA A 73 5.888 8.169 8.125 1.00 0.00 C ATOM 0 H ALA A 73 3.992 6.380 7.941 1.00 0.00 H new ATOM 0 HA ALA A 73 5.591 7.530 10.144 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.338 9.121 8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.674 7.436 7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.299 8.300 7.217 1.00 0.00 H new ATOM 1137 N SER A 74 2.824 8.262 10.151 1.00 0.00 N ATOM 1138 CA SER A 74 1.742 9.144 10.570 1.00 0.00 C ATOM 1139 C SER A 74 0.916 8.469 11.662 1.00 0.00 C ATOM 1140 O SER A 74 0.498 9.099 12.635 1.00 0.00 O ATOM 1141 CB SER A 74 0.854 9.497 9.368 1.00 0.00 C ATOM 1142 OG SER A 74 -0.196 10.375 9.729 1.00 0.00 O ATOM 0 H SER A 74 2.654 7.274 10.338 1.00 0.00 H new ATOM 0 HA SER A 74 2.167 10.065 10.970 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.462 9.959 8.590 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.435 8.584 8.945 1.00 0.00 H new ATOM 0 HG SER A 74 -0.739 10.578 8.939 1.00 0.00 H new ATOM 1148 N MET A 75 0.701 7.173 11.496 1.00 0.00 N ATOM 1149 CA MET A 75 -0.110 6.393 12.416 1.00 0.00 C ATOM 1150 C MET A 75 0.549 5.047 12.686 1.00 0.00 C ATOM 1151 O MET A 75 1.167 4.465 11.796 1.00 0.00 O ATOM 1152 CB MET A 75 -1.507 6.185 11.824 1.00 0.00 C ATOM 1153 CG MET A 75 -2.313 7.468 11.714 1.00 0.00 C ATOM 1154 SD MET A 75 -4.015 7.195 11.180 1.00 0.00 S ATOM 1155 CE MET A 75 -3.745 6.476 9.560 1.00 0.00 C ATOM 0 H MET A 75 1.084 6.633 10.720 1.00 0.00 H new ATOM 0 HA MET A 75 -0.198 6.934 13.358 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.411 5.739 10.834 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.053 5.473 12.443 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.319 7.970 12.682 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.821 8.139 11.010 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.480 6.872 8.859 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.742 6.726 9.213 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.848 5.393 9.621 1.00 0.00 H new ATOM 1165 N PRO A 76 0.441 4.538 13.919 1.00 0.00 N ATOM 1166 CA PRO A 76 1.017 3.250 14.284 1.00 0.00 C ATOM 1167 C PRO A 76 0.111 2.082 13.911 1.00 0.00 C ATOM 1168 O PRO A 76 -1.104 2.240 13.767 1.00 0.00 O ATOM 1169 CB PRO A 76 1.163 3.356 15.798 1.00 0.00 C ATOM 1170 CG PRO A 76 0.067 4.275 16.229 1.00 0.00 C ATOM 1171 CD PRO A 76 -0.232 5.184 15.062 1.00 0.00 C ATOM 0 HA PRO A 76 1.954 3.054 13.762 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.069 2.379 16.273 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.141 3.751 16.073 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.820 3.710 16.515 1.00 0.00 H new ATOM 0 HG3 PRO A 76 0.370 4.854 17.101 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.305 5.275 14.893 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.151 6.190 15.233 1.00 0.00 H new ATOM 1179 N LEU A 77 0.710 0.911 13.751 1.00 0.00 N ATOM 1180 CA LEU A 77 -0.050 -0.290 13.450 1.00 0.00 C ATOM 1181 C LEU A 77 -0.763 -0.772 14.709 1.00 0.00 C ATOM 1182 O LEU A 77 -0.223 -0.675 15.812 1.00 0.00 O ATOM 1183 CB LEU A 77 0.871 -1.383 12.894 1.00 0.00 C ATOM 1184 CG LEU A 77 0.172 -2.674 12.451 1.00 0.00 C ATOM 1185 CD1 LEU A 77 -0.857 -2.390 11.368 1.00 0.00 C ATOM 1186 CD2 LEU A 77 1.190 -3.684 11.953 1.00 0.00 C ATOM 0 H LEU A 77 1.717 0.768 13.825 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.795 -0.060 12.689 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.417 -0.976 12.043 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.609 -1.633 13.656 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.345 -3.092 13.315 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.339 -3.321 11.071 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.608 -1.699 11.752 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.363 -1.945 10.504 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.677 -4.594 11.643 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.733 -3.266 11.105 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.892 -3.918 12.753 1.00 0.00 H new ATOM 1198 N THR A 78 -1.969 -1.292 14.543 1.00 0.00 N ATOM 1199 CA THR A 78 -2.797 -1.671 15.672 1.00 0.00 C ATOM 1200 C THR A 78 -3.591 -2.940 15.373 1.00 0.00 C ATOM 1201 O THR A 78 -3.729 -3.340 14.215 1.00 0.00 O ATOM 1202 CB THR A 78 -3.758 -0.524 16.039 1.00 0.00 C ATOM 1203 OG1 THR A 78 -4.094 0.222 14.859 1.00 0.00 O ATOM 1204 CG2 THR A 78 -3.133 0.407 17.071 1.00 0.00 C ATOM 0 H THR A 78 -2.396 -1.461 13.632 1.00 0.00 H new ATOM 0 HA THR A 78 -2.139 -1.871 16.517 1.00 0.00 H new ATOM 0 HB THR A 78 -4.659 -0.959 16.470 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.707 0.950 15.095 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.834 1.207 17.311 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.901 -0.156 17.975 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.217 0.837 16.666 1.00 0.00 H new ATOM 1212 N ASP A 79 -4.112 -3.562 16.424 1.00 0.00 N ATOM 1213 CA ASP A 79 -4.847 -4.819 16.306 1.00 0.00 C ATOM 1214 C ASP A 79 -6.202 -4.600 15.643 1.00 0.00 C ATOM 1215 O ASP A 79 -6.791 -5.530 15.092 1.00 0.00 O ATOM 1216 CB ASP A 79 -5.042 -5.456 17.686 1.00 0.00 C ATOM 1217 CG ASP A 79 -5.957 -4.641 18.583 1.00 0.00 C ATOM 1218 OD1 ASP A 79 -5.495 -3.626 19.151 1.00 0.00 O ATOM 1219 OD2 ASP A 79 -7.138 -5.004 18.727 1.00 0.00 O ATOM 0 H ASP A 79 -4.038 -3.212 17.379 1.00 0.00 H new ATOM 0 HA ASP A 79 -4.260 -5.492 15.681 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.456 -6.457 17.564 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.072 -5.569 18.170 1.00 0.00 H new ATOM 1224 N ALA A 80 -6.681 -3.358 15.689 1.00 0.00 N ATOM 1225 CA ALA A 80 -7.948 -2.985 15.065 1.00 0.00 C ATOM 1226 C ALA A 80 -7.948 -3.306 13.573 1.00 0.00 C ATOM 1227 O ALA A 80 -9.007 -3.490 12.968 1.00 0.00 O ATOM 1228 CB ALA A 80 -8.230 -1.507 15.290 1.00 0.00 C ATOM 0 H ALA A 80 -6.205 -2.587 16.157 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.739 -3.572 15.532 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.177 -1.242 14.820 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.287 -1.306 16.360 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.428 -0.913 14.852 1.00 0.00 H new ATOM 1234 N ALA A 81 -6.753 -3.359 12.987 1.00 0.00 N ATOM 1235 CA ALA A 81 -6.596 -3.632 11.564 1.00 0.00 C ATOM 1236 C ALA A 81 -7.157 -5.000 11.178 1.00 0.00 C ATOM 1237 O ALA A 81 -7.555 -5.208 10.035 1.00 0.00 O ATOM 1238 CB ALA A 81 -5.127 -3.536 11.175 1.00 0.00 C ATOM 0 H ALA A 81 -5.874 -3.215 13.483 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.167 -2.881 11.018 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.018 -3.741 10.110 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.758 -2.533 11.391 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.551 -4.265 11.746 1.00 0.00 H new ATOM 1244 N PHE A 82 -7.209 -5.923 12.137 1.00 0.00 N ATOM 1245 CA PHE A 82 -7.718 -7.267 11.876 1.00 0.00 C ATOM 1246 C PHE A 82 -9.208 -7.256 11.553 1.00 0.00 C ATOM 1247 O PHE A 82 -9.728 -8.211 10.985 1.00 0.00 O ATOM 1248 CB PHE A 82 -7.462 -8.190 13.069 1.00 0.00 C ATOM 1249 CG PHE A 82 -6.096 -8.813 13.074 1.00 0.00 C ATOM 1250 CD1 PHE A 82 -5.824 -9.898 12.257 1.00 0.00 C ATOM 1251 CD2 PHE A 82 -5.092 -8.328 13.893 1.00 0.00 C ATOM 1252 CE1 PHE A 82 -4.572 -10.486 12.256 1.00 0.00 C ATOM 1253 CE2 PHE A 82 -3.841 -8.912 13.898 1.00 0.00 C ATOM 1254 CZ PHE A 82 -3.580 -9.993 13.080 1.00 0.00 C ATOM 0 H PHE A 82 -6.906 -5.765 13.098 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.180 -7.645 11.006 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.595 -7.623 13.990 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.212 -8.981 13.071 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.598 -10.289 11.614 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.289 -7.483 14.536 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.371 -11.329 11.612 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.066 -8.523 14.542 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.602 -10.452 13.085 1.00 0.00 H new ATOM 1264 N GLU A 83 -9.891 -6.183 11.912 1.00 0.00 N ATOM 1265 CA GLU A 83 -11.324 -6.094 11.684 1.00 0.00 C ATOM 1266 C GLU A 83 -11.636 -5.612 10.274 1.00 0.00 C ATOM 1267 O GLU A 83 -12.752 -5.773 9.777 1.00 0.00 O ATOM 1268 CB GLU A 83 -11.949 -5.158 12.698 1.00 0.00 C ATOM 1269 CG GLU A 83 -11.756 -5.617 14.130 1.00 0.00 C ATOM 1270 CD GLU A 83 -12.582 -4.818 15.109 1.00 0.00 C ATOM 1271 OE1 GLU A 83 -12.358 -3.597 15.225 1.00 0.00 O ATOM 1272 OE2 GLU A 83 -13.461 -5.408 15.769 1.00 0.00 O ATOM 0 H GLU A 83 -9.480 -5.364 12.360 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.745 -7.093 11.798 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.517 -4.164 12.580 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.016 -5.069 12.492 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.023 -6.671 14.210 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.702 -5.534 14.396 1.00 0.00 H new ATOM 1279 N ALA A 84 -10.651 -5.009 9.642 1.00 0.00 N ATOM 1280 CA ALA A 84 -10.800 -4.515 8.288 1.00 0.00 C ATOM 1281 C ALA A 84 -10.583 -5.639 7.296 1.00 0.00 C ATOM 1282 O ALA A 84 -9.765 -6.533 7.518 1.00 0.00 O ATOM 1283 CB ALA A 84 -9.831 -3.372 8.029 1.00 0.00 C ATOM 0 H ALA A 84 -9.730 -4.848 10.049 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.814 -4.135 8.163 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.956 -3.013 7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.032 -2.559 8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.809 -3.723 8.167 1.00 0.00 H new ATOM 1289 N GLU A 85 -11.351 -5.620 6.229 1.00 0.00 N ATOM 1290 CA GLU A 85 -11.190 -6.601 5.167 1.00 0.00 C ATOM 1291 C GLU A 85 -10.116 -6.131 4.190 1.00 0.00 C ATOM 1292 O GLU A 85 -9.360 -6.929 3.640 1.00 0.00 O ATOM 1293 CB GLU A 85 -12.514 -6.808 4.434 1.00 0.00 C ATOM 1294 CG GLU A 85 -12.567 -8.090 3.616 1.00 0.00 C ATOM 1295 CD GLU A 85 -12.420 -9.335 4.470 1.00 0.00 C ATOM 1296 OE1 GLU A 85 -12.880 -9.326 5.632 1.00 0.00 O ATOM 1297 OE2 GLU A 85 -11.866 -10.338 3.979 1.00 0.00 O ATOM 0 H GLU A 85 -12.093 -4.939 6.069 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.883 -7.551 5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.325 -6.819 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.690 -5.959 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.513 -8.134 3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.775 -8.072 2.868 1.00 0.00 H new ATOM 1304 N TYR A 86 -10.061 -4.821 3.986 1.00 0.00 N ATOM 1305 CA TYR A 86 -9.082 -4.215 3.091 1.00 0.00 C ATOM 1306 C TYR A 86 -8.057 -3.414 3.897 1.00 0.00 C ATOM 1307 O TYR A 86 -8.399 -2.405 4.518 1.00 0.00 O ATOM 1308 CB TYR A 86 -9.773 -3.282 2.085 1.00 0.00 C ATOM 1309 CG TYR A 86 -10.739 -3.957 1.121 1.00 0.00 C ATOM 1310 CD1 TYR A 86 -11.926 -4.525 1.567 1.00 0.00 C ATOM 1311 CD2 TYR A 86 -10.471 -3.999 -0.243 1.00 0.00 C ATOM 1312 CE1 TYR A 86 -12.812 -5.119 0.686 1.00 0.00 C ATOM 1313 CE2 TYR A 86 -11.356 -4.586 -1.131 1.00 0.00 C ATOM 1314 CZ TYR A 86 -12.525 -5.144 -0.660 1.00 0.00 C ATOM 1315 OH TYR A 86 -13.418 -5.723 -1.542 1.00 0.00 O ATOM 0 H TYR A 86 -10.689 -4.152 4.432 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.578 -5.014 2.548 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.316 -2.517 2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.006 -2.770 1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.161 -4.502 2.621 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.555 -3.565 -0.617 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.726 -5.562 1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -11.132 -4.607 -2.187 1.00 0.00 H new ATOM 0 HH TYR A 86 -13.066 -5.657 -2.454 1.00 0.00 H new ATOM 1325 N LEU A 87 -6.809 -3.866 3.901 1.00 0.00 N ATOM 1326 CA LEU A 87 -5.746 -3.167 4.621 1.00 0.00 C ATOM 1327 C LEU A 87 -4.725 -2.577 3.661 1.00 0.00 C ATOM 1328 O LEU A 87 -4.183 -3.276 2.807 1.00 0.00 O ATOM 1329 CB LEU A 87 -5.025 -4.096 5.605 1.00 0.00 C ATOM 1330 CG LEU A 87 -5.776 -4.429 6.899 1.00 0.00 C ATOM 1331 CD1 LEU A 87 -6.281 -3.159 7.566 1.00 0.00 C ATOM 1332 CD2 LEU A 87 -6.914 -5.401 6.634 1.00 0.00 C ATOM 0 H LEU A 87 -6.506 -4.711 3.416 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.225 -2.362 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.799 -5.030 5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.072 -3.639 5.871 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.080 -4.915 7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.811 -3.416 8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.436 -2.513 7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.958 -2.637 6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.430 -5.620 7.569 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.615 -4.956 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.514 -6.324 6.215 1.00 0.00 H new ATOM 1344 N ALA A 88 -4.471 -1.289 3.807 1.00 0.00 N ATOM 1345 CA ALA A 88 -3.446 -0.618 3.024 1.00 0.00 C ATOM 1346 C ALA A 88 -2.426 0.030 3.947 1.00 0.00 C ATOM 1347 O ALA A 88 -2.785 0.819 4.819 1.00 0.00 O ATOM 1348 CB ALA A 88 -4.064 0.423 2.107 1.00 0.00 C ATOM 0 H ALA A 88 -4.963 -0.683 4.464 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.942 -1.361 2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.279 0.912 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.765 -0.061 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.593 1.166 2.704 1.00 0.00 H new ATOM 1354 N VAL A 89 -1.161 -0.315 3.769 1.00 0.00 N ATOM 1355 CA VAL A 89 -0.108 0.203 4.632 1.00 0.00 C ATOM 1356 C VAL A 89 0.929 0.979 3.828 1.00 0.00 C ATOM 1357 O VAL A 89 1.636 0.414 2.985 1.00 0.00 O ATOM 1358 CB VAL A 89 0.597 -0.925 5.424 1.00 0.00 C ATOM 1359 CG1 VAL A 89 1.606 -0.347 6.410 1.00 0.00 C ATOM 1360 CG2 VAL A 89 -0.421 -1.801 6.144 1.00 0.00 C ATOM 0 H VAL A 89 -0.838 -0.949 3.038 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.590 0.875 5.342 1.00 0.00 H new ATOM 0 HB VAL A 89 1.138 -1.549 4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.088 -1.159 6.955 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.359 0.224 5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.093 0.308 7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.099 -2.586 6.693 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.998 -1.192 6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.093 -2.253 5.414 1.00 0.00 H new ATOM 1370 N ASP A 90 1.010 2.275 4.090 1.00 0.00 N ATOM 1371 CA ASP A 90 1.969 3.138 3.417 1.00 0.00 C ATOM 1372 C ASP A 90 3.254 3.207 4.226 1.00 0.00 C ATOM 1373 O ASP A 90 3.216 3.393 5.447 1.00 0.00 O ATOM 1374 CB ASP A 90 1.385 4.541 3.227 1.00 0.00 C ATOM 1375 CG ASP A 90 2.347 5.500 2.551 1.00 0.00 C ATOM 1376 OD1 ASP A 90 2.427 5.490 1.304 1.00 0.00 O ATOM 1377 OD2 ASP A 90 3.024 6.274 3.266 1.00 0.00 O ATOM 0 H ASP A 90 0.419 2.755 4.769 1.00 0.00 H new ATOM 0 HA ASP A 90 2.189 2.722 2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.474 4.471 2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.102 4.945 4.199 1.00 0.00 H new ATOM 1382 N GLN A 91 4.386 3.026 3.542 1.00 0.00 N ATOM 1383 CA GLN A 91 5.697 3.034 4.184 1.00 0.00 C ATOM 1384 C GLN A 91 5.804 1.899 5.199 1.00 0.00 C ATOM 1385 O GLN A 91 6.367 2.066 6.279 1.00 0.00 O ATOM 1386 CB GLN A 91 5.961 4.387 4.849 1.00 0.00 C ATOM 1387 CG GLN A 91 6.156 5.522 3.856 1.00 0.00 C ATOM 1388 CD GLN A 91 6.152 6.886 4.518 1.00 0.00 C ATOM 1389 OE1 GLN A 91 7.189 7.385 4.957 1.00 0.00 O ATOM 1390 NE2 GLN A 91 4.983 7.503 4.580 1.00 0.00 N ATOM 0 H GLN A 91 4.417 2.871 2.534 1.00 0.00 H new ATOM 0 HA GLN A 91 6.457 2.877 3.419 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.126 4.629 5.506 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.848 4.308 5.477 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.100 5.381 3.330 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.365 5.484 3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.148 7.053 4.204 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.917 8.428 5.004 1.00 0.00 H new ATOM 1399 N VAL A 92 5.292 0.729 4.816 1.00 0.00 N ATOM 1400 CA VAL A 92 5.274 -0.447 5.684 1.00 0.00 C ATOM 1401 C VAL A 92 6.683 -0.820 6.169 1.00 0.00 C ATOM 1402 O VAL A 92 6.851 -1.434 7.224 1.00 0.00 O ATOM 1403 CB VAL A 92 4.627 -1.653 4.954 1.00 0.00 C ATOM 1404 CG1 VAL A 92 5.424 -2.043 3.716 1.00 0.00 C ATOM 1405 CG2 VAL A 92 4.471 -2.844 5.894 1.00 0.00 C ATOM 0 H VAL A 92 4.879 0.571 3.897 1.00 0.00 H new ATOM 0 HA VAL A 92 4.675 -0.195 6.559 1.00 0.00 H new ATOM 0 HB VAL A 92 3.633 -1.345 4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.945 -2.891 3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.461 -1.200 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.438 -2.318 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.015 -3.675 5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.451 -3.146 6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.836 -2.564 6.734 1.00 0.00 H new ATOM 1415 N GLU A 93 7.695 -0.409 5.416 1.00 0.00 N ATOM 1416 CA GLU A 93 9.078 -0.707 5.766 1.00 0.00 C ATOM 1417 C GLU A 93 9.510 0.020 7.040 1.00 0.00 C ATOM 1418 O GLU A 93 10.502 -0.353 7.664 1.00 0.00 O ATOM 1419 CB GLU A 93 10.014 -0.312 4.627 1.00 0.00 C ATOM 1420 CG GLU A 93 9.932 1.162 4.274 1.00 0.00 C ATOM 1421 CD GLU A 93 11.279 1.756 3.922 1.00 0.00 C ATOM 1422 OE1 GLU A 93 12.106 1.958 4.841 1.00 0.00 O ATOM 1423 OE2 GLU A 93 11.506 2.053 2.736 1.00 0.00 O ATOM 0 H GLU A 93 7.584 0.132 4.558 1.00 0.00 H new ATOM 0 HA GLU A 93 9.139 -1.781 5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.039 -0.556 4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.773 -0.905 3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.251 1.292 3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.507 1.709 5.115 1.00 0.00 H new ATOM 1430 N LYS A 94 8.772 1.060 7.424 1.00 0.00 N ATOM 1431 CA LYS A 94 9.166 1.883 8.557 1.00 0.00 C ATOM 1432 C LYS A 94 8.798 1.215 9.880 1.00 0.00 C ATOM 1433 O LYS A 94 9.187 1.683 10.950 1.00 0.00 O ATOM 1434 CB LYS A 94 8.522 3.269 8.497 1.00 0.00 C ATOM 1435 CG LYS A 94 8.718 4.010 7.181 1.00 0.00 C ATOM 1436 CD LYS A 94 10.082 3.747 6.559 1.00 0.00 C ATOM 1437 CE LYS A 94 11.239 4.191 7.437 1.00 0.00 C ATOM 1438 NZ LYS A 94 12.542 3.971 6.754 1.00 0.00 N ATOM 0 H LYS A 94 7.906 1.348 6.969 1.00 0.00 H new ATOM 0 HA LYS A 94 10.249 1.996 8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.453 3.165 8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.929 3.878 9.304 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.939 3.710 6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.600 5.080 7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.180 2.681 6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.143 4.264 5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.128 5.247 7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.219 3.639 8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.256 3.685 7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.437 3.223 6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.844 4.852 6.291 1.00 0.00 H new ATOM 1452 N LEU A 95 8.041 0.127 9.799 1.00 0.00 N ATOM 1453 CA LEU A 95 7.576 -0.574 10.986 1.00 0.00 C ATOM 1454 C LEU A 95 8.729 -1.295 11.671 1.00 0.00 C ATOM 1455 O LEU A 95 9.601 -1.859 11.006 1.00 0.00 O ATOM 1456 CB LEU A 95 6.477 -1.570 10.613 1.00 0.00 C ATOM 1457 CG LEU A 95 5.220 -0.953 9.994 1.00 0.00 C ATOM 1458 CD1 LEU A 95 4.197 -2.031 9.669 1.00 0.00 C ATOM 1459 CD2 LEU A 95 4.616 0.085 10.928 1.00 0.00 C ATOM 0 H LEU A 95 7.736 -0.289 8.919 1.00 0.00 H new ATOM 0 HA LEU A 95 7.167 0.159 11.681 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.889 -2.295 9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.189 -2.121 11.508 1.00 0.00 H new ATOM 0 HG LEU A 95 5.506 -0.458 9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.311 -1.572 9.230 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.627 -2.739 8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.918 -2.556 10.583 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.724 0.512 10.470 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.348 -0.388 11.873 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.343 0.876 11.112 1.00 0.00 H new ATOM 1471 N GLY A 96 8.727 -1.276 13.000 1.00 0.00 N ATOM 1472 CA GLY A 96 9.803 -1.882 13.763 1.00 0.00 C ATOM 1473 C GLY A 96 9.665 -3.388 13.896 1.00 0.00 C ATOM 1474 O GLY A 96 9.538 -4.101 12.903 1.00 0.00 O ATOM 0 H GLY A 96 7.994 -0.848 13.566 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.755 -1.651 13.284 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.831 -1.437 14.757 1.00 0.00 H new ATOM 1478 N ASN A 97 9.681 -3.876 15.125 1.00 0.00 N ATOM 1479 CA ASN A 97 9.631 -5.312 15.377 1.00 0.00 C ATOM 1480 C ASN A 97 8.207 -5.767 15.662 1.00 0.00 C ATOM 1481 O ASN A 97 7.687 -6.676 15.010 1.00 0.00 O ATOM 1482 CB ASN A 97 10.535 -5.670 16.562 1.00 0.00 C ATOM 1483 CG ASN A 97 10.502 -7.150 16.909 1.00 0.00 C ATOM 1484 OD1 ASN A 97 9.675 -7.597 17.706 1.00 0.00 O ATOM 1485 ND2 ASN A 97 11.403 -7.917 16.316 1.00 0.00 N ATOM 0 H ASN A 97 9.728 -3.301 15.966 1.00 0.00 H new ATOM 0 HA ASN A 97 9.985 -5.825 14.483 1.00 0.00 H new ATOM 0 HB2 ASN A 97 11.560 -5.380 16.331 1.00 0.00 H new ATOM 0 HB3 ASN A 97 10.229 -5.091 17.433 1.00 0.00 H new ATOM 0 HD21 ASN A 97 11.430 -8.917 16.513 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.070 -7.508 15.662 1.00 0.00 H new ATOM 1492 N GLU A 98 7.574 -5.111 16.623 1.00 0.00 N ATOM 1493 CA GLU A 98 6.255 -5.509 17.096 1.00 0.00 C ATOM 1494 C GLU A 98 5.206 -5.335 16.007 1.00 0.00 C ATOM 1495 O GLU A 98 4.282 -6.143 15.885 1.00 0.00 O ATOM 1496 CB GLU A 98 5.878 -4.693 18.332 1.00 0.00 C ATOM 1497 CG GLU A 98 6.903 -4.806 19.447 1.00 0.00 C ATOM 1498 CD GLU A 98 6.526 -4.015 20.678 1.00 0.00 C ATOM 1499 OE1 GLU A 98 6.766 -2.788 20.702 1.00 0.00 O ATOM 1500 OE2 GLU A 98 6.015 -4.620 21.639 1.00 0.00 O ATOM 0 H GLU A 98 7.957 -4.292 17.095 1.00 0.00 H new ATOM 0 HA GLU A 98 6.290 -6.566 17.361 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.768 -3.646 18.051 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.908 -5.028 18.701 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.022 -5.855 19.718 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.869 -4.459 19.081 1.00 0.00 H new ATOM 1507 N GLU A 99 5.357 -4.287 15.210 1.00 0.00 N ATOM 1508 CA GLU A 99 4.449 -4.038 14.101 1.00 0.00 C ATOM 1509 C GLU A 99 4.564 -5.140 13.057 1.00 0.00 C ATOM 1510 O GLU A 99 3.559 -5.624 12.544 1.00 0.00 O ATOM 1511 CB GLU A 99 4.725 -2.682 13.452 1.00 0.00 C ATOM 1512 CG GLU A 99 4.753 -1.525 14.435 1.00 0.00 C ATOM 1513 CD GLU A 99 6.147 -1.212 14.934 1.00 0.00 C ATOM 1514 OE1 GLU A 99 6.726 -2.043 15.661 1.00 0.00 O ATOM 1515 OE2 GLU A 99 6.677 -0.133 14.588 1.00 0.00 O ATOM 0 H GLU A 99 6.100 -3.596 15.311 1.00 0.00 H new ATOM 0 HA GLU A 99 3.435 -4.029 14.502 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.682 -2.727 12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.961 -2.488 12.699 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.336 -0.639 13.957 1.00 0.00 H new ATOM 0 HG3 GLU A 99 4.112 -1.761 15.285 1.00 0.00 H new ATOM 1522 N GLN A 100 5.791 -5.555 12.762 1.00 0.00 N ATOM 1523 CA GLN A 100 6.020 -6.605 11.776 1.00 0.00 C ATOM 1524 C GLN A 100 5.538 -7.957 12.297 1.00 0.00 C ATOM 1525 O GLN A 100 5.343 -8.896 11.525 1.00 0.00 O ATOM 1526 CB GLN A 100 7.495 -6.679 11.375 1.00 0.00 C ATOM 1527 CG GLN A 100 7.968 -5.463 10.593 1.00 0.00 C ATOM 1528 CD GLN A 100 9.391 -5.603 10.082 1.00 0.00 C ATOM 1529 OE1 GLN A 100 9.853 -6.705 9.787 1.00 0.00 O ATOM 1530 NE2 GLN A 100 10.100 -4.489 9.985 1.00 0.00 N ATOM 0 H GLN A 100 6.639 -5.182 13.189 1.00 0.00 H new ATOM 0 HA GLN A 100 5.442 -6.353 10.887 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.104 -6.784 12.273 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.656 -7.574 10.774 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.299 -5.298 9.748 1.00 0.00 H new ATOM 0 HG3 GLN A 100 7.901 -4.580 11.229 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.681 -3.594 10.239 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.065 -4.526 9.656 1.00 0.00 H new ATOM 1539 N ALA A 101 5.363 -8.061 13.607 1.00 0.00 N ATOM 1540 CA ALA A 101 4.771 -9.251 14.201 1.00 0.00 C ATOM 1541 C ALA A 101 3.263 -9.239 13.978 1.00 0.00 C ATOM 1542 O ALA A 101 2.660 -10.257 13.632 1.00 0.00 O ATOM 1543 CB ALA A 101 5.099 -9.329 15.688 1.00 0.00 C ATOM 0 H ALA A 101 5.622 -7.337 14.277 1.00 0.00 H new ATOM 0 HA ALA A 101 5.191 -10.135 13.720 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.648 -10.225 16.114 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.180 -9.369 15.820 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.704 -8.448 16.194 1.00 0.00 H new ATOM 1549 N LEU A 102 2.668 -8.068 14.153 1.00 0.00 N ATOM 1550 CA LEU A 102 1.238 -7.881 13.942 1.00 0.00 C ATOM 1551 C LEU A 102 0.905 -8.057 12.457 1.00 0.00 C ATOM 1552 O LEU A 102 0.006 -8.818 12.092 1.00 0.00 O ATOM 1553 CB LEU A 102 0.833 -6.478 14.429 1.00 0.00 C ATOM 1554 CG LEU A 102 -0.658 -6.247 14.730 1.00 0.00 C ATOM 1555 CD1 LEU A 102 -1.494 -6.233 13.460 1.00 0.00 C ATOM 1556 CD2 LEU A 102 -1.173 -7.300 15.699 1.00 0.00 C ATOM 0 H LEU A 102 3.160 -7.223 14.444 1.00 0.00 H new ATOM 0 HA LEU A 102 0.680 -8.626 14.509 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.400 -6.257 15.334 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.142 -5.755 13.674 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.753 -5.265 15.194 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.541 -6.067 13.715 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.149 -5.432 12.806 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.393 -7.189 12.947 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.229 -7.122 15.902 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.049 -8.290 15.260 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.610 -7.243 16.631 1.00 0.00 H new ATOM 1568 N LEU A 103 1.656 -7.355 11.613 1.00 0.00 N ATOM 1569 CA LEU A 103 1.461 -7.390 10.165 1.00 0.00 C ATOM 1570 C LEU A 103 1.572 -8.822 9.637 1.00 0.00 C ATOM 1571 O LEU A 103 0.744 -9.267 8.842 1.00 0.00 O ATOM 1572 CB LEU A 103 2.509 -6.493 9.488 1.00 0.00 C ATOM 1573 CG LEU A 103 2.100 -5.843 8.157 1.00 0.00 C ATOM 1574 CD1 LEU A 103 1.851 -6.884 7.080 1.00 0.00 C ATOM 1575 CD2 LEU A 103 0.870 -4.967 8.345 1.00 0.00 C ATOM 0 H LEU A 103 2.417 -6.746 11.913 1.00 0.00 H new ATOM 0 HA LEU A 103 0.462 -7.021 9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.781 -5.700 10.185 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.406 -7.087 9.316 1.00 0.00 H new ATOM 0 HG LEU A 103 2.929 -5.217 7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.564 -6.387 6.153 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.760 -7.462 6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.050 -7.551 7.397 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.596 -4.515 7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.042 -5.575 8.710 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.090 -4.182 9.068 1.00 0.00 H new ATOM 1587 N PHE A 104 2.600 -9.534 10.088 1.00 0.00 N ATOM 1588 CA PHE A 104 2.813 -10.926 9.694 1.00 0.00 C ATOM 1589 C PHE A 104 1.591 -11.779 10.009 1.00 0.00 C ATOM 1590 O PHE A 104 1.168 -12.599 9.194 1.00 0.00 O ATOM 1591 CB PHE A 104 4.035 -11.500 10.408 1.00 0.00 C ATOM 1592 CG PHE A 104 4.275 -12.949 10.102 1.00 0.00 C ATOM 1593 CD1 PHE A 104 4.736 -13.340 8.857 1.00 0.00 C ATOM 1594 CD2 PHE A 104 4.022 -13.921 11.056 1.00 0.00 C ATOM 1595 CE1 PHE A 104 4.943 -14.674 8.569 1.00 0.00 C ATOM 1596 CE2 PHE A 104 4.225 -15.255 10.775 1.00 0.00 C ATOM 1597 CZ PHE A 104 4.687 -15.633 9.529 1.00 0.00 C ATOM 0 H PHE A 104 3.303 -9.169 10.730 1.00 0.00 H new ATOM 0 HA PHE A 104 2.982 -10.944 8.617 1.00 0.00 H new ATOM 0 HB2 PHE A 104 4.916 -10.925 10.124 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.909 -11.379 11.484 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.936 -12.593 8.103 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.661 -13.630 12.032 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.305 -14.967 7.594 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.023 -16.003 11.527 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.848 -16.677 9.306 1.00 0.00 H new ATOM 1607 N SER A 105 1.035 -11.581 11.190 1.00 0.00 N ATOM 1608 CA SER A 105 -0.152 -12.296 11.611 1.00 0.00 C ATOM 1609 C SER A 105 -1.320 -12.024 10.661 1.00 0.00 C ATOM 1610 O SER A 105 -2.126 -12.913 10.381 1.00 0.00 O ATOM 1611 CB SER A 105 -0.504 -11.878 13.030 1.00 0.00 C ATOM 1612 OG SER A 105 0.595 -12.084 13.903 1.00 0.00 O ATOM 0 H SER A 105 1.393 -10.922 11.881 1.00 0.00 H new ATOM 0 HA SER A 105 0.046 -13.367 11.587 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.793 -10.827 13.043 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.364 -12.449 13.380 1.00 0.00 H new ATOM 0 HG SER A 105 1.247 -11.362 13.784 1.00 0.00 H new ATOM 1618 N ILE A 106 -1.399 -10.795 10.162 1.00 0.00 N ATOM 1619 CA ILE A 106 -2.406 -10.429 9.173 1.00 0.00 C ATOM 1620 C ILE A 106 -2.217 -11.253 7.901 1.00 0.00 C ATOM 1621 O ILE A 106 -3.181 -11.790 7.350 1.00 0.00 O ATOM 1622 CB ILE A 106 -2.353 -8.923 8.825 1.00 0.00 C ATOM 1623 CG1 ILE A 106 -2.539 -8.074 10.087 1.00 0.00 C ATOM 1624 CG2 ILE A 106 -3.416 -8.575 7.789 1.00 0.00 C ATOM 1625 CD1 ILE A 106 -2.475 -6.582 9.835 1.00 0.00 C ATOM 0 H ILE A 106 -0.775 -10.033 10.428 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.382 -10.640 9.610 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.373 -8.703 8.401 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.502 -8.316 10.538 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.771 -8.344 10.812 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.363 -7.511 7.557 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.243 -9.154 6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.403 -8.811 8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.615 -6.048 10.775 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.503 -6.326 9.413 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.261 -6.297 9.135 1.00 0.00 H new ATOM 1637 N PHE A 107 -0.967 -11.362 7.450 1.00 0.00 N ATOM 1638 CA PHE A 107 -0.639 -12.187 6.291 1.00 0.00 C ATOM 1639 C PHE A 107 -1.056 -13.632 6.516 1.00 0.00 C ATOM 1640 O PHE A 107 -1.694 -14.241 5.658 1.00 0.00 O ATOM 1641 CB PHE A 107 0.862 -12.141 5.991 1.00 0.00 C ATOM 1642 CG PHE A 107 1.271 -11.057 5.037 1.00 0.00 C ATOM 1643 CD1 PHE A 107 0.731 -11.004 3.762 1.00 0.00 C ATOM 1644 CD2 PHE A 107 2.207 -10.102 5.404 1.00 0.00 C ATOM 1645 CE1 PHE A 107 1.113 -10.020 2.873 1.00 0.00 C ATOM 1646 CE2 PHE A 107 2.592 -9.116 4.517 1.00 0.00 C ATOM 1647 CZ PHE A 107 2.043 -9.075 3.251 1.00 0.00 C ATOM 0 H PHE A 107 -0.167 -10.889 7.870 1.00 0.00 H new ATOM 0 HA PHE A 107 -1.188 -11.782 5.441 1.00 0.00 H new ATOM 0 HB2 PHE A 107 1.403 -12.007 6.928 1.00 0.00 H new ATOM 0 HB3 PHE A 107 1.168 -13.103 5.581 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.002 -11.742 3.460 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.639 -10.130 6.393 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.684 -9.990 1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.322 -8.377 4.814 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.342 -8.303 2.557 1.00 0.00 H new ATOM 1657 N ASN A 108 -0.695 -14.168 7.675 1.00 0.00 N ATOM 1658 CA ASN A 108 -1.003 -15.552 8.015 1.00 0.00 C ATOM 1659 C ASN A 108 -2.510 -15.787 8.001 1.00 0.00 C ATOM 1660 O ASN A 108 -2.985 -16.739 7.387 1.00 0.00 O ATOM 1661 CB ASN A 108 -0.424 -15.906 9.389 1.00 0.00 C ATOM 1662 CG ASN A 108 -0.645 -17.361 9.762 1.00 0.00 C ATOM 1663 OD1 ASN A 108 -0.697 -18.238 8.897 1.00 0.00 O ATOM 1664 ND2 ASN A 108 -0.762 -17.628 11.053 1.00 0.00 N ATOM 0 H ASN A 108 -0.186 -13.662 8.400 1.00 0.00 H new ATOM 0 HA ASN A 108 -0.546 -16.198 7.266 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.645 -15.692 9.394 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -0.880 -15.268 10.146 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -0.901 -18.589 11.364 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -0.713 -16.872 11.737 1.00 0.00 H new ATOM 1671 N ARG A 109 -3.253 -14.900 8.661 1.00 0.00 N ATOM 1672 CA ARG A 109 -4.712 -14.982 8.692 1.00 0.00 C ATOM 1673 C ARG A 109 -5.289 -14.962 7.277 1.00 0.00 C ATOM 1674 O ARG A 109 -6.123 -15.798 6.920 1.00 0.00 O ATOM 1675 CB ARG A 109 -5.302 -13.819 9.502 1.00 0.00 C ATOM 1676 CG ARG A 109 -6.820 -13.732 9.421 1.00 0.00 C ATOM 1677 CD ARG A 109 -7.349 -12.460 10.060 1.00 0.00 C ATOM 1678 NE ARG A 109 -8.783 -12.287 9.822 1.00 0.00 N ATOM 1679 CZ ARG A 109 -9.341 -11.140 9.421 1.00 0.00 C ATOM 1680 NH1 ARG A 109 -8.593 -10.064 9.216 1.00 0.00 N ATOM 1681 NH2 ARG A 109 -10.650 -11.067 9.231 1.00 0.00 N ATOM 0 H ARG A 109 -2.867 -14.114 9.183 1.00 0.00 H new ATOM 0 HA ARG A 109 -4.981 -15.924 9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -5.007 -13.927 10.546 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.873 -12.883 9.145 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -7.131 -13.770 8.377 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.260 -14.597 9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -7.159 -12.486 11.133 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -6.808 -11.601 9.662 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.394 -13.090 9.971 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.585 -10.108 9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -9.026 -9.193 8.910 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.235 -11.887 9.391 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.073 -10.191 8.925 1.00 0.00 H new ATOM 1695 N PHE A 110 -4.829 -14.011 6.473 1.00 0.00 N ATOM 1696 CA PHE A 110 -5.352 -13.823 5.128 1.00 0.00 C ATOM 1697 C PHE A 110 -5.003 -14.995 4.220 1.00 0.00 C ATOM 1698 O PHE A 110 -5.879 -15.574 3.580 1.00 0.00 O ATOM 1699 CB PHE A 110 -4.828 -12.516 4.525 1.00 0.00 C ATOM 1700 CG PHE A 110 -5.533 -11.287 5.035 1.00 0.00 C ATOM 1701 CD1 PHE A 110 -6.554 -11.388 5.966 1.00 0.00 C ATOM 1702 CD2 PHE A 110 -5.181 -10.031 4.570 1.00 0.00 C ATOM 1703 CE1 PHE A 110 -7.207 -10.261 6.423 1.00 0.00 C ATOM 1704 CE2 PHE A 110 -5.831 -8.901 5.025 1.00 0.00 C ATOM 1705 CZ PHE A 110 -6.845 -9.016 5.952 1.00 0.00 C ATOM 0 H PHE A 110 -4.091 -13.356 6.732 1.00 0.00 H new ATOM 0 HA PHE A 110 -6.438 -13.770 5.205 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -3.763 -12.428 4.740 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -4.932 -12.560 3.441 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -6.842 -12.360 6.339 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -4.389 -9.934 3.843 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -8.001 -10.354 7.149 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.545 -7.927 4.655 1.00 0.00 H new ATOM 0 HZ PHE A 110 -7.355 -8.133 6.309 1.00 0.00 H new ATOM 1715 N ARG A 111 -3.730 -15.361 4.185 1.00 0.00 N ATOM 1716 CA ARG A 111 -3.260 -16.389 3.266 1.00 0.00 C ATOM 1717 C ARG A 111 -3.786 -17.765 3.665 1.00 0.00 C ATOM 1718 O ARG A 111 -3.970 -18.634 2.817 1.00 0.00 O ATOM 1719 CB ARG A 111 -1.730 -16.395 3.217 1.00 0.00 C ATOM 1720 CG ARG A 111 -1.162 -17.198 2.058 1.00 0.00 C ATOM 1721 CD ARG A 111 -1.631 -16.642 0.721 1.00 0.00 C ATOM 1722 NE ARG A 111 -1.082 -17.389 -0.408 1.00 0.00 N ATOM 1723 CZ ARG A 111 -1.388 -17.151 -1.685 1.00 0.00 C ATOM 1724 NH1 ARG A 111 -2.243 -16.181 -1.996 1.00 0.00 N ATOM 1725 NH2 ARG A 111 -0.831 -17.880 -2.644 1.00 0.00 N ATOM 0 H ARG A 111 -3.005 -14.963 4.781 1.00 0.00 H new ATOM 0 HA ARG A 111 -3.644 -16.158 2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -1.373 -15.368 3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -1.346 -16.802 4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -0.073 -17.181 2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -1.469 -18.240 2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -2.720 -16.671 0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -1.336 -15.596 0.641 1.00 0.00 H new ATOM 0 HE ARG A 111 -0.422 -18.141 -0.207 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -2.666 -15.618 -1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -2.476 -16.000 -2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.171 -18.620 -2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.063 -17.700 -3.621 1.00 0.00 H new ATOM 1739 N ASN A 112 -4.046 -17.949 4.954 1.00 0.00 N ATOM 1740 CA ASN A 112 -4.552 -19.224 5.457 1.00 0.00 C ATOM 1741 C ASN A 112 -5.959 -19.494 4.927 1.00 0.00 C ATOM 1742 O ASN A 112 -6.299 -20.619 4.565 1.00 0.00 O ATOM 1743 CB ASN A 112 -4.580 -19.226 6.988 1.00 0.00 C ATOM 1744 CG ASN A 112 -4.004 -20.495 7.589 1.00 0.00 C ATOM 1745 OD1 ASN A 112 -4.697 -21.501 7.746 1.00 0.00 O ATOM 1746 ND2 ASN A 112 -2.730 -20.445 7.954 1.00 0.00 N ATOM 0 H ASN A 112 -3.916 -17.234 5.670 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.881 -20.009 5.108 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -4.018 -18.368 7.357 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.609 -19.104 7.327 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.290 -21.259 8.382 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.190 -19.592 7.806 1.00 0.00 H new ATOM 1753 N SER A 113 -6.771 -18.448 4.878 1.00 0.00 N ATOM 1754 CA SER A 113 -8.156 -18.576 4.449 1.00 0.00 C ATOM 1755 C SER A 113 -8.297 -18.297 2.953 1.00 0.00 C ATOM 1756 O SER A 113 -9.242 -18.763 2.314 1.00 0.00 O ATOM 1757 CB SER A 113 -9.042 -17.617 5.253 1.00 0.00 C ATOM 1758 OG SER A 113 -10.415 -17.781 4.931 1.00 0.00 O ATOM 0 H SER A 113 -6.494 -17.499 5.131 1.00 0.00 H new ATOM 0 HA SER A 113 -8.478 -19.601 4.632 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.894 -17.791 6.319 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.741 -16.589 5.053 1.00 0.00 H new ATOM 0 HG SER A 113 -10.952 -17.156 5.462 1.00 0.00 H new ATOM 1764 N GLY A 114 -7.349 -17.548 2.400 1.00 0.00 N ATOM 1765 CA GLY A 114 -7.440 -17.136 1.011 1.00 0.00 C ATOM 1766 C GLY A 114 -8.319 -15.913 0.858 1.00 0.00 C ATOM 1767 O GLY A 114 -8.781 -15.593 -0.237 1.00 0.00 O ATOM 0 H GLY A 114 -6.517 -17.218 2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.443 -16.920 0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.842 -17.953 0.412 1.00 0.00 H new ATOM 1771 N LYS A 115 -8.524 -15.225 1.969 1.00 0.00 N ATOM 1772 CA LYS A 115 -9.435 -14.108 2.046 1.00 0.00 C ATOM 1773 C LYS A 115 -8.681 -12.888 2.564 1.00 0.00 C ATOM 1774 O LYS A 115 -7.517 -12.999 2.939 1.00 0.00 O ATOM 1775 CB LYS A 115 -10.587 -14.505 2.979 1.00 0.00 C ATOM 1776 CG LYS A 115 -11.700 -13.487 3.115 1.00 0.00 C ATOM 1777 CD LYS A 115 -12.884 -14.087 3.856 1.00 0.00 C ATOM 1778 CE LYS A 115 -13.894 -13.032 4.274 1.00 0.00 C ATOM 1779 NZ LYS A 115 -13.361 -12.145 5.342 1.00 0.00 N ATOM 0 H LYS A 115 -8.054 -15.433 2.850 1.00 0.00 H new ATOM 0 HA LYS A 115 -9.845 -13.854 1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.016 -15.440 2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -10.177 -14.703 3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.335 -12.610 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.015 -13.150 2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.373 -14.824 3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -12.527 -14.616 4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.171 -12.431 3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.803 -13.519 4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -14.081 -11.439 5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -13.121 -12.714 6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -12.508 -11.660 4.997 1.00 0.00 H new ATOM 1793 N GLY A 116 -9.337 -11.743 2.589 1.00 0.00 N ATOM 1794 CA GLY A 116 -8.687 -10.525 3.033 1.00 0.00 C ATOM 1795 C GLY A 116 -7.922 -9.837 1.921 1.00 0.00 C ATOM 1796 O GLY A 116 -7.431 -10.487 0.998 1.00 0.00 O ATOM 0 H GLY A 116 -10.312 -11.631 2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.437 -9.841 3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.003 -10.759 3.849 1.00 0.00 H new ATOM 1800 N PHE A 117 -7.822 -8.519 2.006 1.00 0.00 N ATOM 1801 CA PHE A 117 -7.153 -7.725 0.986 1.00 0.00 C ATOM 1802 C PHE A 117 -6.018 -6.916 1.606 1.00 0.00 C ATOM 1803 O PHE A 117 -6.170 -6.358 2.693 1.00 0.00 O ATOM 1804 CB PHE A 117 -8.153 -6.785 0.305 1.00 0.00 C ATOM 1805 CG PHE A 117 -9.238 -7.490 -0.464 1.00 0.00 C ATOM 1806 CD1 PHE A 117 -10.275 -8.132 0.195 1.00 0.00 C ATOM 1807 CD2 PHE A 117 -9.221 -7.506 -1.849 1.00 0.00 C ATOM 1808 CE1 PHE A 117 -11.270 -8.778 -0.510 1.00 0.00 C ATOM 1809 CE2 PHE A 117 -10.214 -8.152 -2.561 1.00 0.00 C ATOM 1810 CZ PHE A 117 -11.239 -8.791 -1.889 1.00 0.00 C ATOM 0 H PHE A 117 -8.200 -7.972 2.779 1.00 0.00 H new ATOM 0 HA PHE A 117 -6.737 -8.400 0.238 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -8.614 -6.152 1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -7.611 -6.127 -0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -10.305 -8.127 1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -8.422 -7.008 -2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -12.072 -9.273 0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -10.189 -8.157 -3.641 1.00 0.00 H new ATOM 0 HZ PHE A 117 -12.014 -9.300 -2.443 1.00 0.00 H new ATOM 1820 N LEU A 118 -4.891 -6.844 0.911 1.00 0.00 N ATOM 1821 CA LEU A 118 -3.714 -6.164 1.431 1.00 0.00 C ATOM 1822 C LEU A 118 -3.018 -5.371 0.329 1.00 0.00 C ATOM 1823 O LEU A 118 -2.646 -5.917 -0.712 1.00 0.00 O ATOM 1824 CB LEU A 118 -2.729 -7.175 2.025 1.00 0.00 C ATOM 1825 CG LEU A 118 -2.116 -6.800 3.381 1.00 0.00 C ATOM 1826 CD1 LEU A 118 -1.412 -5.456 3.313 1.00 0.00 C ATOM 1827 CD2 LEU A 118 -3.180 -6.785 4.461 1.00 0.00 C ATOM 0 H LEU A 118 -4.768 -7.250 -0.017 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.042 -5.478 2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.241 -8.131 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.919 -7.325 1.311 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.374 -7.557 3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.988 -5.218 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.614 -5.500 2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -2.128 -4.684 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.726 -6.517 5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -3.947 -6.054 4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.633 -7.773 4.539 1.00 0.00 H new ATOM 1839 N LEU A 119 -2.840 -4.090 0.573 1.00 0.00 N ATOM 1840 CA LEU A 119 -2.138 -3.220 -0.353 1.00 0.00 C ATOM 1841 C LEU A 119 -0.942 -2.591 0.349 1.00 0.00 C ATOM 1842 O LEU A 119 -1.091 -1.844 1.319 1.00 0.00 O ATOM 1843 CB LEU A 119 -3.074 -2.132 -0.888 1.00 0.00 C ATOM 1844 CG LEU A 119 -2.467 -1.211 -1.948 1.00 0.00 C ATOM 1845 CD1 LEU A 119 -2.094 -1.996 -3.195 1.00 0.00 C ATOM 1846 CD2 LEU A 119 -3.432 -0.092 -2.291 1.00 0.00 C ATOM 0 H LEU A 119 -3.175 -3.622 1.415 1.00 0.00 H new ATOM 0 HA LEU A 119 -1.789 -3.812 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -3.958 -2.611 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -3.411 -1.522 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 119 -1.557 -0.771 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.664 -1.321 -3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.364 -2.763 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.986 -2.467 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.986 0.555 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -4.358 -0.516 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -3.646 0.491 -1.395 1.00 0.00 H new ATOM 1858 N LEU A 120 0.244 -2.908 -0.130 1.00 0.00 N ATOM 1859 CA LEU A 120 1.467 -2.425 0.489 1.00 0.00 C ATOM 1860 C LEU A 120 2.207 -1.488 -0.452 1.00 0.00 C ATOM 1861 O LEU A 120 2.239 -1.708 -1.659 1.00 0.00 O ATOM 1862 CB LEU A 120 2.363 -3.606 0.863 1.00 0.00 C ATOM 1863 CG LEU A 120 1.799 -4.540 1.932 1.00 0.00 C ATOM 1864 CD1 LEU A 120 2.619 -5.817 2.001 1.00 0.00 C ATOM 1865 CD2 LEU A 120 1.782 -3.849 3.286 1.00 0.00 C ATOM 0 H LEU A 120 0.390 -3.499 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 120 1.206 -1.874 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.563 -4.189 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.321 -3.219 1.211 1.00 0.00 H new ATOM 0 HG LEU A 120 0.775 -4.797 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.206 -6.474 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.588 -6.322 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.652 -5.573 2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.377 -4.528 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.798 -3.566 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.159 -2.956 3.231 1.00 0.00 H new ATOM 1877 N GLY A 121 2.790 -0.436 0.103 1.00 0.00 N ATOM 1878 CA GLY A 121 3.548 0.493 -0.705 1.00 0.00 C ATOM 1879 C GLY A 121 4.698 1.116 0.051 1.00 0.00 C ATOM 1880 O GLY A 121 4.531 1.560 1.187 1.00 0.00 O ATOM 0 H GLY A 121 2.751 -0.210 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 121 3.933 -0.025 -1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 121 2.886 1.280 -1.065 1.00 0.00 H new ATOM 1884 N SER A 122 5.875 1.114 -0.558 1.00 0.00 N ATOM 1885 CA SER A 122 7.031 1.806 -0.002 1.00 0.00 C ATOM 1886 C SER A 122 7.989 2.210 -1.122 1.00 0.00 C ATOM 1887 O SER A 122 7.863 3.304 -1.670 1.00 0.00 O ATOM 1888 CB SER A 122 7.748 0.934 1.034 1.00 0.00 C ATOM 1889 OG SER A 122 6.881 0.606 2.109 1.00 0.00 O ATOM 0 H SER A 122 6.056 0.638 -1.442 1.00 0.00 H new ATOM 0 HA SER A 122 6.683 2.706 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 122 8.107 0.021 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.623 1.461 1.415 1.00 0.00 H new ATOM 0 HG SER A 122 6.062 1.140 2.043 1.00 0.00 H new ATOM 1895 N GLU A 123 8.902 1.307 -1.492 1.00 0.00 N ATOM 1896 CA GLU A 123 9.848 1.552 -2.582 1.00 0.00 C ATOM 1897 C GLU A 123 10.855 0.408 -2.687 1.00 0.00 C ATOM 1898 O GLU A 123 10.712 -0.615 -2.015 1.00 0.00 O ATOM 1899 CB GLU A 123 10.593 2.882 -2.406 1.00 0.00 C ATOM 1900 CG GLU A 123 11.518 2.938 -1.200 1.00 0.00 C ATOM 1901 CD GLU A 123 12.334 4.213 -1.169 1.00 0.00 C ATOM 1902 OE1 GLU A 123 13.077 4.472 -2.144 1.00 0.00 O ATOM 1903 OE2 GLU A 123 12.232 4.971 -0.184 1.00 0.00 O ATOM 0 H GLU A 123 9.005 0.394 -1.049 1.00 0.00 H new ATOM 0 HA GLU A 123 9.267 1.610 -3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.178 3.077 -3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.860 3.685 -2.322 1.00 0.00 H new ATOM 0 HG2 GLU A 123 10.928 2.863 -0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.189 2.079 -1.217 1.00 0.00 H new ATOM 1910 N TYR A 124 11.873 0.607 -3.528 1.00 0.00 N ATOM 1911 CA TYR A 124 12.916 -0.391 -3.789 1.00 0.00 C ATOM 1912 C TYR A 124 12.336 -1.659 -4.412 1.00 0.00 C ATOM 1913 O TYR A 124 12.293 -1.787 -5.632 1.00 0.00 O ATOM 1914 CB TYR A 124 13.683 -0.762 -2.511 1.00 0.00 C ATOM 1915 CG TYR A 124 14.377 0.390 -1.822 1.00 0.00 C ATOM 1916 CD1 TYR A 124 15.212 1.251 -2.524 1.00 0.00 C ATOM 1917 CD2 TYR A 124 14.213 0.601 -0.458 1.00 0.00 C ATOM 1918 CE1 TYR A 124 15.862 2.289 -1.885 1.00 0.00 C ATOM 1919 CE2 TYR A 124 14.855 1.640 0.186 1.00 0.00 C ATOM 1920 CZ TYR A 124 15.678 2.480 -0.531 1.00 0.00 C ATOM 1921 OH TYR A 124 16.331 3.507 0.110 1.00 0.00 O ATOM 0 H TYR A 124 11.999 1.473 -4.052 1.00 0.00 H new ATOM 0 HA TYR A 124 13.609 0.068 -4.494 1.00 0.00 H new ATOM 0 HB2 TYR A 124 12.987 -1.219 -1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 124 14.428 -1.518 -2.759 1.00 0.00 H new ATOM 0 HD1 TYR A 124 15.355 1.106 -3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 124 13.572 -0.059 0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 124 16.511 2.948 -2.443 1.00 0.00 H new ATOM 0 HE2 TYR A 124 14.713 1.793 1.246 1.00 0.00 H new ATOM 0 HH TYR A 124 16.092 3.504 1.060 1.00 0.00 H new ATOM 1931 N THR A 125 11.894 -2.577 -3.551 1.00 0.00 N ATOM 1932 CA THR A 125 11.305 -3.862 -3.941 1.00 0.00 C ATOM 1933 C THR A 125 11.050 -4.696 -2.685 1.00 0.00 C ATOM 1934 O THR A 125 11.710 -4.495 -1.663 1.00 0.00 O ATOM 1935 CB THR A 125 12.196 -4.688 -4.911 1.00 0.00 C ATOM 1936 OG1 THR A 125 13.567 -4.295 -4.801 1.00 0.00 O ATOM 1937 CG2 THR A 125 11.725 -4.557 -6.358 1.00 0.00 C ATOM 0 H THR A 125 11.936 -2.446 -2.540 1.00 0.00 H new ATOM 0 HA THR A 125 10.381 -3.633 -4.471 1.00 0.00 H new ATOM 0 HB THR A 125 12.106 -5.735 -4.622 1.00 0.00 H new ATOM 0 HG1 THR A 125 14.111 -4.828 -5.418 1.00 0.00 H new ATOM 0 HG21 THR A 125 12.372 -5.148 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 125 10.700 -4.919 -6.441 1.00 0.00 H new ATOM 0 HG23 THR A 125 11.766 -3.511 -6.661 1.00 0.00 H new ATOM 1945 N PRO A 126 10.098 -5.643 -2.736 1.00 0.00 N ATOM 1946 CA PRO A 126 9.783 -6.511 -1.591 1.00 0.00 C ATOM 1947 C PRO A 126 10.984 -7.331 -1.124 1.00 0.00 C ATOM 1948 O PRO A 126 11.065 -7.732 0.034 1.00 0.00 O ATOM 1949 CB PRO A 126 8.695 -7.442 -2.130 1.00 0.00 C ATOM 1950 CG PRO A 126 8.110 -6.721 -3.294 1.00 0.00 C ATOM 1951 CD PRO A 126 9.236 -5.933 -3.896 1.00 0.00 C ATOM 0 HA PRO A 126 9.478 -5.927 -0.723 1.00 0.00 H new ATOM 0 HB2 PRO A 126 9.112 -8.403 -2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 126 7.939 -7.646 -1.372 1.00 0.00 H new ATOM 0 HG2 PRO A 126 7.692 -7.421 -4.018 1.00 0.00 H new ATOM 0 HG3 PRO A 126 7.298 -6.065 -2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 126 9.765 -6.504 -4.659 1.00 0.00 H new ATOM 0 HD3 PRO A 126 8.880 -5.019 -4.372 1.00 0.00 H new ATOM 1959 N GLN A 127 11.921 -7.562 -2.033 1.00 0.00 N ATOM 1960 CA GLN A 127 13.091 -8.381 -1.743 1.00 0.00 C ATOM 1961 C GLN A 127 14.301 -7.511 -1.408 1.00 0.00 C ATOM 1962 O GLN A 127 15.404 -8.012 -1.199 1.00 0.00 O ATOM 1963 CB GLN A 127 13.405 -9.287 -2.937 1.00 0.00 C ATOM 1964 CG GLN A 127 12.320 -10.317 -3.225 1.00 0.00 C ATOM 1965 CD GLN A 127 12.599 -11.151 -4.466 1.00 0.00 C ATOM 1966 OE1 GLN A 127 13.269 -10.563 -5.447 1.00 0.00 O flip ATOM 1967 NE2 GLN A 127 12.207 -12.314 -4.543 1.00 0.00 N flip ATOM 0 H GLN A 127 11.894 -7.192 -2.983 1.00 0.00 H new ATOM 0 HA GLN A 127 12.868 -8.999 -0.873 1.00 0.00 H new ATOM 0 HB2 GLN A 127 13.551 -8.669 -3.823 1.00 0.00 H new ATOM 0 HB3 GLN A 127 14.346 -9.805 -2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 127 12.220 -10.979 -2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 127 11.365 -9.805 -3.346 1.00 0.00 H new ATOM 0 HE21 GLN A 127 11.694 -12.732 -3.767 1.00 0.00 H new ATOM 0 HE22 GLN A 127 12.395 -12.861 -5.383 1.00 0.00 H new ATOM 1976 N GLN A 128 14.086 -6.206 -1.365 1.00 0.00 N ATOM 1977 CA GLN A 128 15.147 -5.267 -1.033 1.00 0.00 C ATOM 1978 C GLN A 128 14.904 -4.664 0.347 1.00 0.00 C ATOM 1979 O GLN A 128 15.846 -4.318 1.057 1.00 0.00 O ATOM 1980 CB GLN A 128 15.229 -4.161 -2.092 1.00 0.00 C ATOM 1981 CG GLN A 128 16.366 -3.173 -1.867 1.00 0.00 C ATOM 1982 CD GLN A 128 17.742 -3.809 -1.986 1.00 0.00 C ATOM 1983 OE1 GLN A 128 17.870 -4.815 -2.839 1.00 0.00 O flip ATOM 1984 NE2 GLN A 128 18.691 -3.386 -1.326 1.00 0.00 N flip ATOM 0 H GLN A 128 13.183 -5.771 -1.556 1.00 0.00 H new ATOM 0 HA GLN A 128 16.096 -5.803 -1.017 1.00 0.00 H new ATOM 0 HB2 GLN A 128 15.349 -4.620 -3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 128 14.285 -3.616 -2.108 1.00 0.00 H new ATOM 0 HG2 GLN A 128 16.283 -2.362 -2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 128 16.262 -2.728 -0.877 1.00 0.00 H new ATOM 0 HE21 GLN A 128 18.556 -2.610 -0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 128 19.612 -3.812 -1.427 1.00 0.00 H new ATOM 1993 N LEU A 129 13.629 -4.568 0.725 1.00 0.00 N ATOM 1994 CA LEU A 129 13.242 -3.977 2.005 1.00 0.00 C ATOM 1995 C LEU A 129 13.924 -4.678 3.174 1.00 0.00 C ATOM 1996 O LEU A 129 13.963 -5.909 3.233 1.00 0.00 O ATOM 1997 CB LEU A 129 11.728 -4.054 2.191 1.00 0.00 C ATOM 1998 CG LEU A 129 10.897 -3.268 1.178 1.00 0.00 C ATOM 1999 CD1 LEU A 129 9.415 -3.460 1.454 1.00 0.00 C ATOM 2000 CD2 LEU A 129 11.267 -1.791 1.213 1.00 0.00 C ATOM 0 H LEU A 129 12.845 -4.893 0.160 1.00 0.00 H new ATOM 0 HA LEU A 129 13.560 -2.935 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.427 -5.101 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.484 -3.695 3.191 1.00 0.00 H new ATOM 0 HG LEU A 129 11.114 -3.647 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 129 8.833 -2.895 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 129 9.165 -4.518 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 129 9.183 -3.105 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 129 10.665 -1.248 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.078 -1.392 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.323 -1.675 0.970 1.00 0.00 H new ATOM 2012 N VAL A 130 14.446 -3.893 4.105 1.00 0.00 N ATOM 2013 CA VAL A 130 15.116 -4.441 5.276 1.00 0.00 C ATOM 2014 C VAL A 130 14.102 -4.697 6.385 1.00 0.00 C ATOM 2015 O VAL A 130 13.851 -3.836 7.232 1.00 0.00 O ATOM 2016 CB VAL A 130 16.225 -3.501 5.796 1.00 0.00 C ATOM 2017 CG1 VAL A 130 16.991 -4.151 6.948 1.00 0.00 C ATOM 2018 CG2 VAL A 130 17.166 -3.099 4.660 1.00 0.00 C ATOM 0 H VAL A 130 14.419 -2.874 4.073 1.00 0.00 H new ATOM 0 HA VAL A 130 15.583 -5.379 4.977 1.00 0.00 H new ATOM 0 HB VAL A 130 15.757 -2.594 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 130 17.767 -3.471 7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 130 16.303 -4.369 7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 130 17.449 -5.078 6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 130 17.941 -2.437 5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 130 17.629 -3.991 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 130 16.600 -2.582 3.885 1.00 0.00 H new ATOM 2028 N ILE A 131 13.497 -5.875 6.346 1.00 0.00 N ATOM 2029 CA ILE A 131 12.487 -6.267 7.320 1.00 0.00 C ATOM 2030 C ILE A 131 12.718 -7.706 7.757 1.00 0.00 C ATOM 2031 O ILE A 131 13.616 -8.376 7.239 1.00 0.00 O ATOM 2032 CB ILE A 131 11.056 -6.139 6.745 1.00 0.00 C ATOM 2033 CG1 ILE A 131 10.934 -6.930 5.438 1.00 0.00 C ATOM 2034 CG2 ILE A 131 10.697 -4.674 6.531 1.00 0.00 C ATOM 2035 CD1 ILE A 131 9.541 -6.916 4.848 1.00 0.00 C ATOM 0 H ILE A 131 13.691 -6.585 5.640 1.00 0.00 H new ATOM 0 HA ILE A 131 12.577 -5.594 8.173 1.00 0.00 H new ATOM 0 HB ILE A 131 10.352 -6.558 7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.632 -6.520 4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 131 11.232 -7.963 5.619 1.00 0.00 H new ATOM 0 HG21 ILE A 131 9.687 -4.602 6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 131 10.745 -4.145 7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.401 -4.225 5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 131 9.531 -7.496 3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 131 8.840 -7.354 5.559 1.00 0.00 H new ATOM 0 HD13 ILE A 131 9.247 -5.888 4.634 1.00 0.00 H new ATOM 2047 N ARG A 132 11.917 -8.182 8.703 1.00 0.00 N ATOM 2048 CA ARG A 132 12.017 -9.562 9.166 1.00 0.00 C ATOM 2049 C ARG A 132 11.780 -10.518 8.010 1.00 0.00 C ATOM 2050 O ARG A 132 10.756 -10.438 7.330 1.00 0.00 O ATOM 2051 CB ARG A 132 11.016 -9.832 10.293 1.00 0.00 C ATOM 2052 CG ARG A 132 11.031 -11.267 10.794 1.00 0.00 C ATOM 2053 CD ARG A 132 10.312 -11.422 12.129 1.00 0.00 C ATOM 2054 NE ARG A 132 8.888 -11.090 12.049 1.00 0.00 N ATOM 2055 CZ ARG A 132 7.933 -11.765 12.696 1.00 0.00 C ATOM 2056 NH1 ARG A 132 8.241 -12.838 13.409 1.00 0.00 N ATOM 2057 NH2 ARG A 132 6.666 -11.371 12.626 1.00 0.00 N ATOM 0 H ARG A 132 11.191 -7.634 9.165 1.00 0.00 H new ATOM 0 HA ARG A 132 13.021 -9.722 9.558 1.00 0.00 H new ATOM 0 HB2 ARG A 132 11.232 -9.163 11.126 1.00 0.00 H new ATOM 0 HB3 ARG A 132 10.013 -9.590 9.942 1.00 0.00 H new ATOM 0 HG2 ARG A 132 10.560 -11.913 10.053 1.00 0.00 H new ATOM 0 HG3 ARG A 132 12.063 -11.602 10.899 1.00 0.00 H new ATOM 0 HD2 ARG A 132 10.422 -12.449 12.478 1.00 0.00 H new ATOM 0 HD3 ARG A 132 10.789 -10.780 12.870 1.00 0.00 H new ATOM 0 HE ARG A 132 8.610 -10.300 11.467 1.00 0.00 H new ATOM 0 HH11 ARG A 132 9.210 -13.152 13.466 1.00 0.00 H new ATOM 0 HH12 ARG A 132 7.509 -13.350 13.901 1.00 0.00 H new ATOM 0 HH21 ARG A 132 6.417 -10.549 12.076 1.00 0.00 H new ATOM 0 HH22 ARG A 132 5.942 -11.891 13.122 1.00 0.00 H new ATOM 2071 N GLU A 133 12.723 -11.428 7.809 1.00 0.00 N ATOM 2072 CA GLU A 133 12.701 -12.317 6.656 1.00 0.00 C ATOM 2073 C GLU A 133 11.472 -13.216 6.654 1.00 0.00 C ATOM 2074 O GLU A 133 11.044 -13.675 5.600 1.00 0.00 O ATOM 2075 CB GLU A 133 13.970 -13.166 6.598 1.00 0.00 C ATOM 2076 CG GLU A 133 14.197 -14.017 7.833 1.00 0.00 C ATOM 2077 CD GLU A 133 15.396 -14.927 7.689 1.00 0.00 C ATOM 2078 OE1 GLU A 133 16.535 -14.428 7.773 1.00 0.00 O ATOM 2079 OE2 GLU A 133 15.201 -16.144 7.487 1.00 0.00 O ATOM 0 H GLU A 133 13.517 -11.570 8.433 1.00 0.00 H new ATOM 0 HA GLU A 133 12.656 -11.686 5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 133 13.921 -13.816 5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 133 14.829 -12.509 6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 133 14.337 -13.369 8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 133 13.308 -14.618 8.026 1.00 0.00 H new ATOM 2086 N ASP A 134 10.884 -13.442 7.823 1.00 0.00 N ATOM 2087 CA ASP A 134 9.725 -14.322 7.911 1.00 0.00 C ATOM 2088 C ASP A 134 8.496 -13.634 7.331 1.00 0.00 C ATOM 2089 O ASP A 134 7.604 -14.280 6.793 1.00 0.00 O ATOM 2090 CB ASP A 134 9.471 -14.757 9.354 1.00 0.00 C ATOM 2091 CG ASP A 134 8.519 -15.936 9.441 1.00 0.00 C ATOM 2092 OD1 ASP A 134 8.579 -16.820 8.557 1.00 0.00 O ATOM 2093 OD2 ASP A 134 7.733 -16.001 10.409 1.00 0.00 O ATOM 0 H ASP A 134 11.184 -13.036 8.709 1.00 0.00 H new ATOM 0 HA ASP A 134 9.932 -15.218 7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 134 10.418 -15.022 9.823 1.00 0.00 H new ATOM 0 HB3 ASP A 134 9.060 -13.919 9.917 1.00 0.00 H new ATOM 2098 N LEU A 135 8.452 -12.315 7.450 1.00 0.00 N ATOM 2099 CA LEU A 135 7.415 -11.522 6.801 1.00 0.00 C ATOM 2100 C LEU A 135 7.825 -11.257 5.350 1.00 0.00 C ATOM 2101 O LEU A 135 6.997 -11.231 4.441 1.00 0.00 O ATOM 2102 CB LEU A 135 7.208 -10.208 7.575 1.00 0.00 C ATOM 2103 CG LEU A 135 5.967 -9.381 7.199 1.00 0.00 C ATOM 2104 CD1 LEU A 135 5.613 -8.423 8.321 1.00 0.00 C ATOM 2105 CD2 LEU A 135 6.193 -8.593 5.917 1.00 0.00 C ATOM 0 H LEU A 135 9.123 -11.769 7.991 1.00 0.00 H new ATOM 0 HA LEU A 135 6.469 -12.063 6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.153 -10.443 8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.090 -9.584 7.432 1.00 0.00 H new ATOM 0 HG LEU A 135 5.144 -10.078 7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.733 -7.844 8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.402 -8.988 9.229 1.00 0.00 H new ATOM 0 HD13 LEU A 135 6.449 -7.748 8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.297 -8.020 5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 135 7.034 -7.913 6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.410 -9.281 5.100 1.00 0.00 H new ATOM 2117 N ARG A 136 9.126 -11.084 5.166 1.00 0.00 N ATOM 2118 CA ARG A 136 9.728 -10.781 3.870 1.00 0.00 C ATOM 2119 C ARG A 136 9.396 -11.860 2.839 1.00 0.00 C ATOM 2120 O ARG A 136 9.154 -11.562 1.674 1.00 0.00 O ATOM 2121 CB ARG A 136 11.240 -10.683 4.058 1.00 0.00 C ATOM 2122 CG ARG A 136 11.947 -9.682 3.164 1.00 0.00 C ATOM 2123 CD ARG A 136 13.425 -9.652 3.507 1.00 0.00 C ATOM 2124 NE ARG A 136 14.153 -8.584 2.833 1.00 0.00 N ATOM 2125 CZ ARG A 136 15.268 -8.784 2.134 1.00 0.00 C ATOM 2126 NH1 ARG A 136 15.669 -10.021 1.869 1.00 0.00 N ATOM 2127 NH2 ARG A 136 15.969 -7.750 1.684 1.00 0.00 N ATOM 0 H ARG A 136 9.806 -11.151 5.923 1.00 0.00 H new ATOM 0 HA ARG A 136 9.327 -9.838 3.497 1.00 0.00 H new ATOM 0 HB2 ARG A 136 11.443 -10.423 5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 136 11.674 -11.668 3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 136 11.811 -9.954 2.117 1.00 0.00 H new ATOM 0 HG3 ARG A 136 11.512 -8.691 3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 136 13.538 -9.535 4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 136 13.872 -10.610 3.242 1.00 0.00 H new ATOM 0 HE ARG A 136 13.789 -7.634 2.901 1.00 0.00 H new ATOM 0 HH11 ARG A 136 15.123 -10.816 2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 136 16.523 -10.177 1.334 1.00 0.00 H new ATOM 0 HH21 ARG A 136 15.654 -6.799 1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 136 16.823 -7.907 1.149 1.00 0.00 H new ATOM 2141 N THR A 137 9.375 -13.111 3.277 1.00 0.00 N ATOM 2142 CA THR A 137 9.046 -14.221 2.394 1.00 0.00 C ATOM 2143 C THR A 137 7.586 -14.159 1.944 1.00 0.00 C ATOM 2144 O THR A 137 7.246 -14.591 0.843 1.00 0.00 O ATOM 2145 CB THR A 137 9.317 -15.570 3.083 1.00 0.00 C ATOM 2146 OG1 THR A 137 8.842 -15.525 4.434 1.00 0.00 O ATOM 2147 CG2 THR A 137 10.801 -15.901 3.069 1.00 0.00 C ATOM 0 H THR A 137 9.582 -13.383 4.238 1.00 0.00 H new ATOM 0 HA THR A 137 9.685 -14.136 1.515 1.00 0.00 H new ATOM 0 HB THR A 137 8.788 -16.349 2.534 1.00 0.00 H new ATOM 0 HG1 THR A 137 9.014 -16.385 4.870 1.00 0.00 H new ATOM 0 HG21 THR A 137 10.965 -16.859 3.562 1.00 0.00 H new ATOM 0 HG22 THR A 137 11.151 -15.959 2.038 1.00 0.00 H new ATOM 0 HG23 THR A 137 11.352 -15.123 3.596 1.00 0.00 H new ATOM 2155 N ARG A 138 6.731 -13.598 2.791 1.00 0.00 N ATOM 2156 CA ARG A 138 5.308 -13.489 2.488 1.00 0.00 C ATOM 2157 C ARG A 138 5.065 -12.354 1.497 1.00 0.00 C ATOM 2158 O ARG A 138 4.018 -12.286 0.855 1.00 0.00 O ATOM 2159 CB ARG A 138 4.509 -13.251 3.771 1.00 0.00 C ATOM 2160 CG ARG A 138 5.062 -13.999 4.974 1.00 0.00 C ATOM 2161 CD ARG A 138 5.077 -15.507 4.767 1.00 0.00 C ATOM 2162 NE ARG A 138 5.989 -16.161 5.703 1.00 0.00 N ATOM 2163 CZ ARG A 138 6.250 -17.465 5.720 1.00 0.00 C ATOM 2164 NH1 ARG A 138 5.623 -18.290 4.889 1.00 0.00 N ATOM 2165 NH2 ARG A 138 7.138 -17.945 6.581 1.00 0.00 N ATOM 0 H ARG A 138 6.999 -13.210 3.696 1.00 0.00 H new ATOM 0 HA ARG A 138 4.975 -14.424 2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 138 4.497 -12.183 3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 138 3.475 -13.554 3.608 1.00 0.00 H new ATOM 0 HG2 ARG A 138 6.075 -13.654 5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.462 -13.762 5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.071 -15.905 4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 138 5.378 -15.733 3.744 1.00 0.00 H new ATOM 0 HE ARG A 138 6.459 -15.575 6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 138 4.935 -17.925 4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 138 5.830 -19.289 4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.616 -17.315 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 138 7.343 -18.944 6.599 1.00 0.00 H new ATOM 2179 N MET A 139 6.059 -11.479 1.368 1.00 0.00 N ATOM 2180 CA MET A 139 6.003 -10.365 0.424 1.00 0.00 C ATOM 2181 C MET A 139 5.991 -10.879 -1.015 1.00 0.00 C ATOM 2182 O MET A 139 5.512 -10.205 -1.926 1.00 0.00 O ATOM 2183 CB MET A 139 7.209 -9.441 0.631 1.00 0.00 C ATOM 2184 CG MET A 139 7.099 -8.528 1.839 1.00 0.00 C ATOM 2185 SD MET A 139 5.864 -7.233 1.617 1.00 0.00 S ATOM 2186 CE MET A 139 6.073 -6.298 3.127 1.00 0.00 C ATOM 0 H MET A 139 6.921 -11.521 1.911 1.00 0.00 H new ATOM 0 HA MET A 139 5.084 -9.807 0.605 1.00 0.00 H new ATOM 0 HB2 MET A 139 8.106 -10.052 0.733 1.00 0.00 H new ATOM 0 HB3 MET A 139 7.340 -8.829 -0.261 1.00 0.00 H new ATOM 0 HG2 MET A 139 6.844 -9.122 2.717 1.00 0.00 H new ATOM 0 HG3 MET A 139 8.069 -8.071 2.034 1.00 0.00 H new ATOM 0 HE1 MET A 139 5.195 -6.427 3.759 1.00 0.00 H new ATOM 0 HE2 MET A 139 6.957 -6.654 3.656 1.00 0.00 H new ATOM 0 HE3 MET A 139 6.195 -5.242 2.887 1.00 0.00 H new ATOM 2196 N ALA A 140 6.506 -12.090 -1.207 1.00 0.00 N ATOM 2197 CA ALA A 140 6.613 -12.678 -2.538 1.00 0.00 C ATOM 2198 C ALA A 140 5.282 -13.256 -3.013 1.00 0.00 C ATOM 2199 O ALA A 140 5.165 -13.709 -4.152 1.00 0.00 O ATOM 2200 CB ALA A 140 7.690 -13.753 -2.551 1.00 0.00 C ATOM 0 H ALA A 140 6.856 -12.684 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 140 6.890 -11.882 -3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 140 7.761 -14.185 -3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 140 8.648 -13.311 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.433 -14.534 -1.835 1.00 0.00 H new ATOM 2206 N TYR A 141 4.279 -13.243 -2.142 1.00 0.00 N ATOM 2207 CA TYR A 141 2.968 -13.766 -2.487 1.00 0.00 C ATOM 2208 C TYR A 141 2.054 -12.652 -2.992 1.00 0.00 C ATOM 2209 O TYR A 141 0.864 -12.872 -3.233 1.00 0.00 O ATOM 2210 CB TYR A 141 2.331 -14.449 -1.276 1.00 0.00 C ATOM 2211 CG TYR A 141 3.126 -15.621 -0.743 1.00 0.00 C ATOM 2212 CD1 TYR A 141 3.446 -16.700 -1.559 1.00 0.00 C ATOM 2213 CD2 TYR A 141 3.555 -15.649 0.577 1.00 0.00 C ATOM 2214 CE1 TYR A 141 4.173 -17.770 -1.073 1.00 0.00 C ATOM 2215 CE2 TYR A 141 4.282 -16.715 1.070 1.00 0.00 C ATOM 2216 CZ TYR A 141 4.589 -17.772 0.241 1.00 0.00 C ATOM 2217 OH TYR A 141 5.314 -18.835 0.730 1.00 0.00 O ATOM 0 H TYR A 141 4.351 -12.876 -1.193 1.00 0.00 H new ATOM 0 HA TYR A 141 3.097 -14.499 -3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 141 2.208 -13.714 -0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 141 1.333 -14.793 -1.549 1.00 0.00 H new ATOM 0 HD1 TYR A 141 3.121 -16.702 -2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 141 3.316 -14.823 1.230 1.00 0.00 H new ATOM 0 HE1 TYR A 141 4.414 -18.601 -1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 141 4.608 -16.720 2.100 1.00 0.00 H new ATOM 0 HH TYR A 141 5.529 -18.678 1.673 1.00 0.00 H new ATOM 2227 N CYS A 142 2.614 -11.464 -3.159 1.00 0.00 N ATOM 2228 CA CYS A 142 1.854 -10.314 -3.602 1.00 0.00 C ATOM 2229 C CYS A 142 2.355 -9.855 -4.961 1.00 0.00 C ATOM 2230 O CYS A 142 3.538 -9.988 -5.276 1.00 0.00 O ATOM 2231 CB CYS A 142 1.972 -9.178 -2.582 1.00 0.00 C ATOM 2232 SG CYS A 142 1.437 -9.625 -0.912 1.00 0.00 S ATOM 0 H CYS A 142 3.602 -11.274 -2.992 1.00 0.00 H new ATOM 0 HA CYS A 142 0.805 -10.595 -3.689 1.00 0.00 H new ATOM 0 HB2 CYS A 142 3.009 -8.846 -2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 142 1.379 -8.331 -2.927 1.00 0.00 H new ATOM 0 HG CYS A 142 1.577 -8.601 -0.123 1.00 0.00 H new ATOM 2238 N LEU A 143 1.446 -9.336 -5.764 1.00 0.00 N ATOM 2239 CA LEU A 143 1.795 -8.811 -7.076 1.00 0.00 C ATOM 2240 C LEU A 143 2.554 -7.502 -6.926 1.00 0.00 C ATOM 2241 O LEU A 143 2.407 -6.809 -5.924 1.00 0.00 O ATOM 2242 CB LEU A 143 0.547 -8.582 -7.939 1.00 0.00 C ATOM 2243 CG LEU A 143 -0.181 -9.833 -8.422 1.00 0.00 C ATOM 2244 CD1 LEU A 143 -1.000 -10.463 -7.309 1.00 0.00 C ATOM 2245 CD2 LEU A 143 -1.068 -9.503 -9.610 1.00 0.00 C ATOM 0 H LEU A 143 0.455 -9.265 -5.532 1.00 0.00 H new ATOM 0 HA LEU A 143 2.424 -9.549 -7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -0.157 -7.976 -7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 143 0.837 -7.997 -8.812 1.00 0.00 H new ATOM 0 HG LEU A 143 0.571 -10.558 -8.733 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.505 -11.352 -7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -0.342 -10.742 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -1.742 -9.748 -6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -1.581 -10.405 -9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -1.804 -8.754 -9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -0.456 -9.112 -10.423 1.00 0.00 H new ATOM 2257 N VAL A 144 3.352 -7.161 -7.925 1.00 0.00 N ATOM 2258 CA VAL A 144 4.140 -5.942 -7.886 1.00 0.00 C ATOM 2259 C VAL A 144 3.722 -5.024 -9.023 1.00 0.00 C ATOM 2260 O VAL A 144 3.876 -5.363 -10.198 1.00 0.00 O ATOM 2261 CB VAL A 144 5.655 -6.231 -7.994 1.00 0.00 C ATOM 2262 CG1 VAL A 144 6.461 -4.938 -7.916 1.00 0.00 C ATOM 2263 CG2 VAL A 144 6.097 -7.200 -6.904 1.00 0.00 C ATOM 0 H VAL A 144 3.471 -7.713 -8.774 1.00 0.00 H new ATOM 0 HA VAL A 144 3.956 -5.462 -6.925 1.00 0.00 H new ATOM 0 HB VAL A 144 5.842 -6.693 -8.963 1.00 0.00 H new ATOM 0 HG11 VAL A 144 7.524 -5.167 -7.994 1.00 0.00 H new ATOM 0 HG12 VAL A 144 6.171 -4.278 -8.734 1.00 0.00 H new ATOM 0 HG13 VAL A 144 6.265 -4.444 -6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 144 7.166 -7.390 -6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 144 5.890 -6.766 -5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 144 5.551 -8.138 -7.008 1.00 0.00 H new ATOM 2273 N TYR A 145 3.181 -3.874 -8.668 1.00 0.00 N ATOM 2274 CA TYR A 145 2.764 -2.887 -9.652 1.00 0.00 C ATOM 2275 C TYR A 145 3.410 -1.542 -9.368 1.00 0.00 C ATOM 2276 O TYR A 145 3.911 -1.301 -8.269 1.00 0.00 O ATOM 2277 CB TYR A 145 1.239 -2.739 -9.674 1.00 0.00 C ATOM 2278 CG TYR A 145 0.520 -3.896 -10.333 1.00 0.00 C ATOM 2279 CD1 TYR A 145 0.655 -4.135 -11.695 1.00 0.00 C ATOM 2280 CD2 TYR A 145 -0.293 -4.744 -9.597 1.00 0.00 C ATOM 2281 CE1 TYR A 145 0.000 -5.187 -12.303 1.00 0.00 C ATOM 2282 CE2 TYR A 145 -0.955 -5.799 -10.197 1.00 0.00 C ATOM 2283 CZ TYR A 145 -0.806 -6.015 -11.551 1.00 0.00 C ATOM 2284 OH TYR A 145 -1.467 -7.062 -12.152 1.00 0.00 O ATOM 0 H TYR A 145 3.018 -3.597 -7.700 1.00 0.00 H new ATOM 0 HA TYR A 145 3.091 -3.237 -10.631 1.00 0.00 H new ATOM 0 HB2 TYR A 145 0.879 -2.636 -8.650 1.00 0.00 H new ATOM 0 HB3 TYR A 145 0.981 -1.818 -10.197 1.00 0.00 H new ATOM 0 HD1 TYR A 145 1.283 -3.487 -12.288 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -0.411 -4.578 -8.536 1.00 0.00 H new ATOM 0 HE1 TYR A 145 0.118 -5.361 -13.362 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -1.585 -6.450 -9.609 1.00 0.00 H new ATOM 0 HH TYR A 145 -1.991 -7.547 -11.480 1.00 0.00 H new ATOM 2294 N GLU A 146 3.400 -0.677 -10.370 1.00 0.00 N ATOM 2295 CA GLU A 146 3.986 0.637 -10.259 1.00 0.00 C ATOM 2296 C GLU A 146 3.344 1.583 -11.266 1.00 0.00 C ATOM 2297 O GLU A 146 2.760 1.143 -12.256 1.00 0.00 O ATOM 2298 CB GLU A 146 5.486 0.555 -10.513 1.00 0.00 C ATOM 2299 CG GLU A 146 5.838 -0.015 -11.878 1.00 0.00 C ATOM 2300 CD GLU A 146 7.327 -0.145 -12.090 1.00 0.00 C ATOM 2301 OE1 GLU A 146 8.002 0.893 -12.215 1.00 0.00 O ATOM 2302 OE2 GLU A 146 7.824 -1.290 -12.135 1.00 0.00 O ATOM 0 H GLU A 146 2.984 -0.872 -11.281 1.00 0.00 H new ATOM 0 HA GLU A 146 3.811 1.019 -9.253 1.00 0.00 H new ATOM 0 HB2 GLU A 146 5.917 1.552 -10.422 1.00 0.00 H new ATOM 0 HB3 GLU A 146 5.944 -0.063 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 146 5.373 -0.994 -11.989 1.00 0.00 H new ATOM 0 HG3 GLU A 146 5.420 0.626 -12.654 1.00 0.00 H new