USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 816 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 102 CYS SG : rot 180:sc= -0.128 USER MOD Set 1.2: A 105 CYS SG : rot 87:sc= -0.279 USER MOD Set 1.3: A 123 CYS SG : rot -168:sc= -0.483 USER MOD Set 1.4: A 126 CYS SG : rot 115:sc= 0.0456 USER MOD Set 2.1: A 84 THR OG1 : rot 180:sc= -0.764 USER MOD Set 2.2: A 85 HIS : no HD1:sc= -5.22! C(o=-6!,f=-11!) USER MOD Set 3.1: A 52 ASN :FLIP amide:sc= -0.261 F(o=-2.8,f=-0.73) USER MOD Set 3.2: A 57 HIS : no HE2:sc= -0.468 K(o=-0.73,f=-2.7) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -70:sc= -2.24! USER MOD Single : A 35 GLN : amide:sc= -0.309 K(o=-0.31,f=-2.1!) USER MOD Single : A 37 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.1) USER MOD Single : A 39 THR OG1 : rot 125:sc= 0.0163 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.433 K(o=-0.43,f=-6!) USER MOD Single : A 56 GLN : amide:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -52:sc= -3.15! USER MOD Single : A 71 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.51) USER MOD Single : A 80 GLN : amide:sc= -2.72 K(o=-2.7,f=-4.1!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 95 TYR OH : rot 100:sc= -1.53 USER MOD Single : A 97 ASN : amide:sc=-0.00974 K(o=-0.0097,f=-0.83) USER MOD Single : A 98 LYS NZ :NH3+ -147:sc= -0.497 (180deg=-1.7!) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.5!) USER MOD Single : A 110 THR OG1 : rot -170:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= -1.17 USER MOD Single : A 122 LYS NZ :NH3+ 153:sc= -0.145 (180deg=-0.794) USER MOD Single : A 129 LYS NZ :NH3+ 160:sc= 0.0154 (180deg=-0.779!) USER MOD ----------------------------------------------------------------- ATOM 505 N TYR A 31 -7.906 -1.625 0.084 1.00 0.00 N ATOM 506 CA TYR A 31 -8.068 -0.780 1.264 1.00 0.00 C ATOM 507 C TYR A 31 -8.434 -1.609 2.494 1.00 0.00 C ATOM 508 O TYR A 31 -9.150 -2.605 2.393 1.00 0.00 O ATOM 509 CB TYR A 31 -9.138 0.285 1.007 1.00 0.00 C ATOM 510 CG TYR A 31 -10.499 -0.280 0.658 1.00 0.00 C ATOM 511 CD1 TYR A 31 -10.775 -0.748 -0.622 1.00 0.00 C ATOM 512 CD2 TYR A 31 -11.510 -0.339 1.609 1.00 0.00 C ATOM 513 CE1 TYR A 31 -12.019 -1.258 -0.943 1.00 0.00 C ATOM 514 CE2 TYR A 31 -12.756 -0.850 1.296 1.00 0.00 C ATOM 515 CZ TYR A 31 -13.005 -1.306 0.020 1.00 0.00 C ATOM 516 OH TYR A 31 -14.245 -1.813 -0.297 1.00 0.00 O ATOM 0 HA TYR A 31 -7.115 -0.289 1.461 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.233 0.911 1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.805 0.931 0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.005 -0.712 -1.378 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.319 0.020 2.610 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.218 -1.617 -1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -13.530 -0.891 2.048 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.825 -1.777 0.492 1.00 0.00 H new ATOM 526 N SER A 32 -7.933 -1.189 3.654 1.00 0.00 N ATOM 527 CA SER A 32 -8.200 -1.891 4.906 1.00 0.00 C ATOM 528 C SER A 32 -9.687 -1.853 5.247 1.00 0.00 C ATOM 529 O SER A 32 -10.501 -1.357 4.468 1.00 0.00 O ATOM 530 CB SER A 32 -7.393 -1.264 6.047 1.00 0.00 C ATOM 531 OG SER A 32 -6.006 -1.279 5.764 1.00 0.00 O ATOM 0 H SER A 32 -7.340 -0.365 3.752 1.00 0.00 H new ATOM 0 HA SER A 32 -7.899 -2.931 4.780 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.723 -0.237 6.207 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.584 -1.808 6.972 1.00 0.00 H new ATOM 0 HG SER A 32 -5.674 -2.200 5.802 1.00 0.00 H new ATOM 537 N VAL A 33 -10.034 -2.378 6.419 1.00 0.00 N ATOM 538 CA VAL A 33 -11.423 -2.403 6.869 1.00 0.00 C ATOM 539 C VAL A 33 -11.553 -1.774 8.247 1.00 0.00 C ATOM 540 O VAL A 33 -10.684 -1.944 9.102 1.00 0.00 O ATOM 541 CB VAL A 33 -12.001 -3.835 6.921 1.00 0.00 C ATOM 542 CG1 VAL A 33 -13.330 -3.901 6.184 1.00 0.00 C ATOM 543 CG2 VAL A 33 -11.016 -4.844 6.352 1.00 0.00 C ATOM 0 H VAL A 33 -9.372 -2.792 7.075 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.992 -1.829 6.138 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.174 -4.092 7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.722 -4.917 6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.039 -3.217 6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.183 -3.617 5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.449 -5.843 6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.798 -4.594 5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.094 -4.819 6.933 1.00 0.00 H new ATOM 553 N ILE A 34 -12.631 -1.033 8.449 1.00 0.00 N ATOM 554 CA ILE A 34 -12.863 -0.361 9.716 1.00 0.00 C ATOM 555 C ILE A 34 -14.159 -0.828 10.365 1.00 0.00 C ATOM 556 O ILE A 34 -15.214 -0.851 9.732 1.00 0.00 O ATOM 557 CB ILE A 34 -12.896 1.160 9.509 1.00 0.00 C ATOM 558 CG1 ILE A 34 -11.668 1.579 8.706 1.00 0.00 C ATOM 559 CG2 ILE A 34 -12.948 1.894 10.842 1.00 0.00 C ATOM 560 CD1 ILE A 34 -11.885 1.581 7.212 1.00 0.00 C ATOM 0 H ILE A 34 -13.359 -0.882 7.751 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.041 -0.616 10.385 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.798 1.426 8.958 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.364 2.577 9.020 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.844 0.906 8.943 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.971 2.969 10.665 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.845 1.597 11.386 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.066 1.642 11.431 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.967 1.890 6.711 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.159 0.579 6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -12.686 2.276 6.962 1.00 0.00 H new ATOM 572 N GLN A 35 -14.066 -1.208 11.634 1.00 0.00 N ATOM 573 CA GLN A 35 -15.223 -1.685 12.376 1.00 0.00 C ATOM 574 C GLN A 35 -15.187 -1.183 13.815 1.00 0.00 C ATOM 575 O GLN A 35 -14.183 -1.336 14.511 1.00 0.00 O ATOM 576 CB GLN A 35 -15.268 -3.215 12.347 1.00 0.00 C ATOM 577 CG GLN A 35 -16.136 -3.775 11.232 1.00 0.00 C ATOM 578 CD GLN A 35 -17.205 -4.722 11.740 1.00 0.00 C ATOM 579 OE1 GLN A 35 -17.139 -5.202 12.872 1.00 0.00 O ATOM 580 NE2 GLN A 35 -18.200 -4.994 10.903 1.00 0.00 N ATOM 0 H GLN A 35 -13.198 -1.194 12.170 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.124 -1.295 11.902 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.254 -3.598 12.235 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.642 -3.578 13.305 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.610 -2.951 10.698 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.505 -4.298 10.514 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -18.214 -4.573 9.974 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.950 -5.623 11.190 1.00 0.00 H new ATOM 589 N GLY A 36 -16.285 -0.579 14.252 1.00 0.00 N ATOM 590 CA GLY A 36 -16.356 -0.058 15.603 1.00 0.00 C ATOM 591 C GLY A 36 -15.401 1.097 15.827 1.00 0.00 C ATOM 592 O GLY A 36 -15.808 2.259 15.820 1.00 0.00 O ATOM 0 H GLY A 36 -17.128 -0.441 13.694 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.374 0.271 15.810 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.129 -0.856 16.310 1.00 0.00 H new ATOM 596 N ASN A 37 -14.127 0.778 16.026 1.00 0.00 N ATOM 597 CA ASN A 37 -13.108 1.795 16.255 1.00 0.00 C ATOM 598 C ASN A 37 -11.710 1.213 16.066 1.00 0.00 C ATOM 599 O ASN A 37 -10.757 1.651 16.709 1.00 0.00 O ATOM 600 CB ASN A 37 -13.245 2.370 17.668 1.00 0.00 C ATOM 601 CG ASN A 37 -14.226 3.524 17.733 1.00 0.00 C ATOM 602 OD1 ASN A 37 -15.186 3.494 18.506 1.00 0.00 O ATOM 603 ND2 ASN A 37 -13.992 4.549 16.923 1.00 0.00 N ATOM 0 H ASN A 37 -13.775 -0.179 16.033 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.253 2.593 15.527 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -13.570 1.582 18.347 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.269 2.707 18.016 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -14.619 5.354 16.924 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -13.185 4.532 16.299 1.00 0.00 H new ATOM 610 N ARG A 38 -11.599 0.223 15.184 1.00 0.00 N ATOM 611 CA ARG A 38 -10.320 -0.426 14.913 1.00 0.00 C ATOM 612 C ARG A 38 -10.155 -0.718 13.426 1.00 0.00 C ATOM 613 O ARG A 38 -11.139 -0.848 12.698 1.00 0.00 O ATOM 614 CB ARG A 38 -10.223 -1.734 15.706 1.00 0.00 C ATOM 615 CG ARG A 38 -11.362 -2.699 15.431 1.00 0.00 C ATOM 616 CD ARG A 38 -12.143 -3.011 16.697 1.00 0.00 C ATOM 617 NE ARG A 38 -13.172 -4.022 16.468 1.00 0.00 N ATOM 618 CZ ARG A 38 -13.522 -4.946 17.360 1.00 0.00 C ATOM 619 NH1 ARG A 38 -12.944 -4.986 18.555 1.00 0.00 N ATOM 620 NH2 ARG A 38 -14.460 -5.832 17.056 1.00 0.00 N ATOM 0 H ARG A 38 -12.381 -0.148 14.644 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.524 0.252 15.221 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.278 -2.223 15.469 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.203 -1.503 16.771 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.031 -2.271 14.685 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.965 -3.623 15.010 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.458 -3.359 17.470 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.608 -2.099 17.071 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.652 -4.020 15.568 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.225 -4.305 18.797 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.220 -5.698 19.231 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.911 -5.804 16.141 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.731 -6.542 17.737 1.00 0.00 H new ATOM 634 N THR A 39 -8.905 -0.832 12.980 1.00 0.00 N ATOM 635 CA THR A 39 -8.621 -1.124 11.578 1.00 0.00 C ATOM 636 C THR A 39 -8.150 -2.570 11.422 1.00 0.00 C ATOM 637 O THR A 39 -7.148 -2.977 12.007 1.00 0.00 O ATOM 638 CB THR A 39 -7.585 -0.132 11.015 1.00 0.00 C ATOM 639 OG1 THR A 39 -8.082 0.483 9.839 1.00 0.00 O ATOM 640 CG2 THR A 39 -6.242 -0.745 10.663 1.00 0.00 C ATOM 0 H THR A 39 -8.077 -0.727 13.567 1.00 0.00 H new ATOM 0 HA THR A 39 -9.539 -1.005 11.002 1.00 0.00 H new ATOM 0 HB THR A 39 -7.425 0.581 11.824 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.050 1.457 9.941 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.579 0.029 10.275 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.799 -1.188 11.555 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.381 -1.516 9.906 1.00 0.00 H new ATOM 648 N PHE A 40 -8.897 -3.341 10.646 1.00 0.00 N ATOM 649 CA PHE A 40 -8.573 -4.744 10.424 1.00 0.00 C ATOM 650 C PHE A 40 -7.639 -4.918 9.233 1.00 0.00 C ATOM 651 O PHE A 40 -8.081 -5.260 8.135 1.00 0.00 O ATOM 652 CB PHE A 40 -9.856 -5.538 10.189 1.00 0.00 C ATOM 653 CG PHE A 40 -10.406 -6.163 11.432 1.00 0.00 C ATOM 654 CD1 PHE A 40 -11.112 -5.405 12.350 1.00 0.00 C ATOM 655 CD2 PHE A 40 -10.222 -7.511 11.679 1.00 0.00 C ATOM 656 CE1 PHE A 40 -11.624 -5.981 13.495 1.00 0.00 C ATOM 657 CE2 PHE A 40 -10.731 -8.094 12.822 1.00 0.00 C ATOM 658 CZ PHE A 40 -11.434 -7.328 13.731 1.00 0.00 C ATOM 0 H PHE A 40 -9.733 -3.019 10.158 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.063 -5.117 11.312 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -10.609 -4.877 9.760 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.661 -6.319 9.454 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.264 -4.351 12.168 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.674 -8.114 10.970 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.172 -5.379 14.205 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.580 -9.148 13.005 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.835 -7.782 14.625 1.00 0.00 H new ATOM 668 N ILE A 41 -6.346 -4.697 9.449 1.00 0.00 N ATOM 669 CA ILE A 41 -5.378 -4.850 8.377 1.00 0.00 C ATOM 670 C ILE A 41 -5.211 -6.325 8.019 1.00 0.00 C ATOM 671 O ILE A 41 -4.651 -7.111 8.784 1.00 0.00 O ATOM 672 CB ILE A 41 -4.010 -4.196 8.730 1.00 0.00 C ATOM 673 CG1 ILE A 41 -3.853 -2.895 7.942 1.00 0.00 C ATOM 674 CG2 ILE A 41 -2.826 -5.119 8.436 1.00 0.00 C ATOM 675 CD1 ILE A 41 -2.890 -1.909 8.570 1.00 0.00 C ATOM 0 H ILE A 41 -5.951 -4.415 10.346 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.763 -4.323 7.504 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.008 -3.998 9.802 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.510 -3.131 6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.830 -2.421 7.844 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.897 -4.614 8.700 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.922 -6.032 9.023 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.814 -5.369 7.375 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.833 -1.013 7.953 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.241 -1.642 9.567 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.901 -2.362 8.643 1.00 0.00 H new ATOM 687 N GLN A 42 -5.711 -6.688 6.850 1.00 0.00 N ATOM 688 CA GLN A 42 -5.629 -8.058 6.369 1.00 0.00 C ATOM 689 C GLN A 42 -4.568 -8.169 5.284 1.00 0.00 C ATOM 690 O GLN A 42 -3.880 -9.182 5.166 1.00 0.00 O ATOM 691 CB GLN A 42 -6.983 -8.498 5.818 1.00 0.00 C ATOM 692 CG GLN A 42 -7.940 -9.001 6.883 1.00 0.00 C ATOM 693 CD GLN A 42 -8.657 -10.267 6.460 1.00 0.00 C ATOM 694 OE1 GLN A 42 -8.516 -11.321 7.254 1.00 0.00 O flip ATOM 695 NE2 GLN A 42 -9.330 -10.297 5.431 1.00 0.00 N flip ATOM 0 H GLN A 42 -6.182 -6.047 6.211 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.354 -8.707 7.200 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.443 -7.659 5.296 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.827 -9.286 5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.389 -9.189 7.804 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.675 -8.226 7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.411 -9.463 4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.807 -11.156 5.159 1.00 0.00 H new ATOM 704 N ASN A 43 -4.446 -7.107 4.496 1.00 0.00 N ATOM 705 CA ASN A 43 -3.475 -7.057 3.415 1.00 0.00 C ATOM 706 C ASN A 43 -2.366 -6.067 3.741 1.00 0.00 C ATOM 707 O ASN A 43 -2.040 -5.200 2.934 1.00 0.00 O ATOM 708 CB ASN A 43 -4.161 -6.664 2.107 1.00 0.00 C ATOM 709 CG ASN A 43 -5.281 -7.615 1.735 1.00 0.00 C ATOM 710 OD1 ASN A 43 -5.654 -8.487 2.520 1.00 0.00 O ATOM 711 ND2 ASN A 43 -5.824 -7.452 0.535 1.00 0.00 N ATOM 0 H ASN A 43 -5.013 -6.264 4.589 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.035 -8.047 3.299 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.561 -5.654 2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.423 -6.644 1.305 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.582 -8.063 0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.483 -6.716 -0.083 1.00 0.00 H new ATOM 718 N PHE A 44 -1.790 -6.194 4.935 1.00 0.00 N ATOM 719 CA PHE A 44 -0.725 -5.300 5.369 1.00 0.00 C ATOM 720 C PHE A 44 0.292 -5.093 4.254 1.00 0.00 C ATOM 721 O PHE A 44 0.748 -3.980 4.027 1.00 0.00 O ATOM 722 CB PHE A 44 -0.027 -5.873 6.608 1.00 0.00 C ATOM 723 CG PHE A 44 0.656 -7.194 6.367 1.00 0.00 C ATOM 724 CD1 PHE A 44 -0.078 -8.324 6.032 1.00 0.00 C ATOM 725 CD2 PHE A 44 2.034 -7.307 6.475 1.00 0.00 C ATOM 726 CE1 PHE A 44 0.550 -9.536 5.811 1.00 0.00 C ATOM 727 CE2 PHE A 44 2.665 -8.517 6.255 1.00 0.00 C ATOM 728 CZ PHE A 44 1.921 -9.633 5.923 1.00 0.00 C ATOM 0 H PHE A 44 -2.045 -6.908 5.617 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.168 -4.336 5.620 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.710 -5.153 6.963 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.762 -5.995 7.403 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.152 -8.256 5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.622 -6.439 6.734 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.033 -10.407 5.551 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.739 -8.590 6.343 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.412 -10.579 5.752 1.00 0.00 H new ATOM 738 N ARG A 45 0.630 -6.161 3.546 1.00 0.00 N ATOM 739 CA ARG A 45 1.580 -6.063 2.445 1.00 0.00 C ATOM 740 C ARG A 45 1.011 -5.221 1.305 1.00 0.00 C ATOM 741 O ARG A 45 1.652 -4.281 0.835 1.00 0.00 O ATOM 742 CB ARG A 45 1.948 -7.450 1.924 1.00 0.00 C ATOM 743 CG ARG A 45 3.090 -7.427 0.922 1.00 0.00 C ATOM 744 CD ARG A 45 4.432 -7.263 1.617 1.00 0.00 C ATOM 745 NE ARG A 45 5.530 -7.800 0.817 1.00 0.00 N ATOM 746 CZ ARG A 45 5.678 -9.092 0.538 1.00 0.00 C ATOM 747 NH1 ARG A 45 4.805 -9.982 0.994 1.00 0.00 N ATOM 748 NH2 ARG A 45 6.703 -9.496 -0.200 1.00 0.00 N ATOM 0 H ARG A 45 0.265 -7.099 3.711 1.00 0.00 H new ATOM 0 HA ARG A 45 2.478 -5.576 2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.223 -8.086 2.765 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.072 -7.900 1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.088 -8.351 0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.941 -6.609 0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.611 -6.206 1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.405 -7.769 2.582 1.00 0.00 H new ATOM 0 HE ARG A 45 6.223 -7.147 0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.015 -9.677 1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.924 -10.971 0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.377 -8.816 -0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.818 -10.487 -0.415 1.00 0.00 H new ATOM 762 N GLU A 46 -0.196 -5.567 0.863 1.00 0.00 N ATOM 763 CA GLU A 46 -0.844 -4.842 -0.224 1.00 0.00 C ATOM 764 C GLU A 46 -1.243 -3.440 0.220 1.00 0.00 C ATOM 765 O GLU A 46 -0.815 -2.446 -0.367 1.00 0.00 O ATOM 766 CB GLU A 46 -2.072 -5.606 -0.721 1.00 0.00 C ATOM 767 CG GLU A 46 -2.158 -5.696 -2.236 1.00 0.00 C ATOM 768 CD GLU A 46 -3.134 -6.758 -2.702 1.00 0.00 C ATOM 769 OE1 GLU A 46 -4.350 -6.586 -2.476 1.00 0.00 O ATOM 770 OE2 GLU A 46 -2.682 -7.760 -3.294 1.00 0.00 O ATOM 0 H GLU A 46 -0.742 -6.342 1.240 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.130 -4.754 -1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.056 -6.614 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.971 -5.119 -0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.460 -4.729 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.169 -5.914 -2.640 1.00 0.00 H new ATOM 777 N VAL A 47 -2.062 -3.361 1.265 1.00 0.00 N ATOM 778 CA VAL A 47 -2.507 -2.075 1.781 1.00 0.00 C ATOM 779 C VAL A 47 -1.319 -1.162 2.063 1.00 0.00 C ATOM 780 O VAL A 47 -1.406 0.053 1.880 1.00 0.00 O ATOM 781 CB VAL A 47 -3.338 -2.223 3.070 1.00 0.00 C ATOM 782 CG1 VAL A 47 -3.932 -0.882 3.468 1.00 0.00 C ATOM 783 CG2 VAL A 47 -4.432 -3.269 2.894 1.00 0.00 C ATOM 0 H VAL A 47 -2.428 -4.170 1.768 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.138 -1.634 1.009 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.679 -2.561 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.517 -1.000 4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.129 -0.166 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.577 -0.518 2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.005 -3.355 3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.095 -2.969 2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.980 -4.232 2.656 1.00 0.00 H new ATOM 793 N ALA A 48 -0.208 -1.745 2.515 1.00 0.00 N ATOM 794 CA ALA A 48 0.979 -0.960 2.818 1.00 0.00 C ATOM 795 C ALA A 48 1.485 -0.238 1.580 1.00 0.00 C ATOM 796 O ALA A 48 1.553 0.986 1.549 1.00 0.00 O ATOM 797 CB ALA A 48 2.078 -1.816 3.421 1.00 0.00 C ATOM 0 H ALA A 48 -0.110 -2.747 2.677 1.00 0.00 H new ATOM 0 HA ALA A 48 0.693 -0.215 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.948 -1.195 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.721 -2.269 4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.356 -2.600 2.717 1.00 0.00 H new ATOM 803 N ASP A 49 1.854 -1.012 0.569 1.00 0.00 N ATOM 804 CA ASP A 49 2.375 -0.455 -0.675 1.00 0.00 C ATOM 805 C ASP A 49 1.491 0.685 -1.182 1.00 0.00 C ATOM 806 O ASP A 49 1.928 1.831 -1.252 1.00 0.00 O ATOM 807 CB ASP A 49 2.478 -1.545 -1.742 1.00 0.00 C ATOM 808 CG ASP A 49 3.521 -1.225 -2.794 1.00 0.00 C ATOM 809 OD1 ASP A 49 4.601 -0.719 -2.424 1.00 0.00 O ATOM 810 OD2 ASP A 49 3.257 -1.480 -3.988 1.00 0.00 O ATOM 0 H ASP A 49 1.803 -2.031 0.585 1.00 0.00 H new ATOM 0 HA ASP A 49 3.369 -0.055 -0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.725 -2.494 -1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.508 -1.672 -2.223 1.00 0.00 H new ATOM 815 N ALA A 50 0.254 0.367 -1.546 1.00 0.00 N ATOM 816 CA ALA A 50 -0.671 1.377 -2.056 1.00 0.00 C ATOM 817 C ALA A 50 -0.679 2.646 -1.189 1.00 0.00 C ATOM 818 O ALA A 50 -0.409 3.738 -1.686 1.00 0.00 O ATOM 819 CB ALA A 50 -2.069 0.793 -2.183 1.00 0.00 C ATOM 0 H ALA A 50 -0.132 -0.576 -1.499 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.323 1.675 -3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.749 1.555 -2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.049 -0.052 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.413 0.456 -1.205 1.00 0.00 H new ATOM 825 N LEU A 51 -0.996 2.504 0.103 1.00 0.00 N ATOM 826 CA LEU A 51 -1.039 3.652 0.995 1.00 0.00 C ATOM 827 C LEU A 51 0.361 4.255 1.176 1.00 0.00 C ATOM 828 O LEU A 51 0.507 5.352 1.712 1.00 0.00 O ATOM 829 CB LEU A 51 -1.656 3.267 2.353 1.00 0.00 C ATOM 830 CG LEU A 51 -1.228 4.148 3.535 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.590 5.589 3.267 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.855 3.685 4.849 1.00 0.00 C ATOM 0 H LEU A 51 -1.223 1.613 0.544 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.675 4.412 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.742 3.306 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.391 2.233 2.575 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.147 4.058 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.282 6.205 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.082 5.930 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.668 5.674 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.525 4.336 5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.941 3.727 4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.546 2.661 5.058 1.00 0.00 H new ATOM 844 N ASN A 52 1.388 3.543 0.710 1.00 0.00 N ATOM 845 CA ASN A 52 2.768 4.017 0.808 1.00 0.00 C ATOM 846 C ASN A 52 3.749 2.924 0.392 1.00 0.00 C ATOM 847 O ASN A 52 3.810 1.862 1.011 1.00 0.00 O ATOM 848 CB ASN A 52 3.087 4.492 2.230 1.00 0.00 C ATOM 849 CG ASN A 52 3.738 5.861 2.241 1.00 0.00 C ATOM 850 OD1 ASN A 52 5.052 5.891 2.441 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 3.071 6.880 2.068 1.00 0.00 N flip ATOM 0 H ASN A 52 1.289 2.633 0.260 1.00 0.00 H new ATOM 0 HA ASN A 52 2.875 4.862 0.128 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.168 4.523 2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.749 3.772 2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.064 6.811 1.918 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.525 7.794 2.075 1.00 0.00 H new ATOM 858 N ARG A 53 4.517 3.193 -0.663 1.00 0.00 N ATOM 859 CA ARG A 53 5.497 2.232 -1.165 1.00 0.00 C ATOM 860 C ARG A 53 6.373 1.708 -0.032 1.00 0.00 C ATOM 861 O ARG A 53 6.720 0.527 0.003 1.00 0.00 O ATOM 862 CB ARG A 53 6.373 2.875 -2.243 1.00 0.00 C ATOM 863 CG ARG A 53 5.621 3.211 -3.521 1.00 0.00 C ATOM 864 CD ARG A 53 6.267 2.568 -4.739 1.00 0.00 C ATOM 865 NE ARG A 53 5.937 1.148 -4.855 1.00 0.00 N ATOM 866 CZ ARG A 53 6.844 0.171 -4.899 1.00 0.00 C ATOM 867 NH1 ARG A 53 8.141 0.446 -4.806 1.00 0.00 N ATOM 868 NH2 ARG A 53 6.452 -1.088 -5.034 1.00 0.00 N ATOM 0 H ARG A 53 4.479 4.068 -1.186 1.00 0.00 H new ATOM 0 HA ARG A 53 4.953 1.394 -1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.816 3.787 -1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.194 2.199 -2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.588 2.873 -3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.592 4.293 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.941 3.090 -5.639 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.349 2.684 -4.678 1.00 0.00 H new ATOM 0 HE ARG A 53 4.952 0.889 -4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.451 1.412 -4.700 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.826 -0.309 -4.841 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.458 -1.308 -5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.144 -1.837 -5.068 1.00 0.00 H new ATOM 882 N ASP A 54 6.719 2.593 0.895 1.00 0.00 N ATOM 883 CA ASP A 54 7.548 2.221 2.034 1.00 0.00 C ATOM 884 C ASP A 54 6.717 1.468 3.075 1.00 0.00 C ATOM 885 O ASP A 54 5.643 1.925 3.466 1.00 0.00 O ATOM 886 CB ASP A 54 8.177 3.466 2.662 1.00 0.00 C ATOM 887 CG ASP A 54 9.688 3.379 2.735 1.00 0.00 C ATOM 888 OD1 ASP A 54 10.333 3.338 1.666 1.00 0.00 O ATOM 889 OD2 ASP A 54 10.227 3.353 3.861 1.00 0.00 O ATOM 0 H ASP A 54 6.438 3.573 0.880 1.00 0.00 H new ATOM 0 HA ASP A 54 8.345 1.565 1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.895 4.344 2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.775 3.605 3.666 1.00 0.00 H new ATOM 894 N PRO A 55 7.202 0.303 3.539 1.00 0.00 N ATOM 895 CA PRO A 55 6.490 -0.499 4.536 1.00 0.00 C ATOM 896 C PRO A 55 6.518 0.144 5.920 1.00 0.00 C ATOM 897 O PRO A 55 5.475 0.385 6.526 1.00 0.00 O ATOM 898 CB PRO A 55 7.250 -1.827 4.541 1.00 0.00 C ATOM 899 CG PRO A 55 8.619 -1.500 4.046 1.00 0.00 C ATOM 900 CD PRO A 55 8.476 -0.316 3.128 1.00 0.00 C ATOM 0 HA PRO A 55 5.433 -0.606 4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.286 -2.256 5.543 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.764 -2.561 3.898 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.285 -1.267 4.877 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.053 -2.349 3.518 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.310 0.377 3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.452 -0.622 2.082 1.00 0.00 H new ATOM 908 N GLN A 56 7.722 0.413 6.411 1.00 0.00 N ATOM 909 CA GLN A 56 7.901 1.025 7.725 1.00 0.00 C ATOM 910 C GLN A 56 7.097 2.322 7.855 1.00 0.00 C ATOM 911 O GLN A 56 6.803 2.771 8.963 1.00 0.00 O ATOM 912 CB GLN A 56 9.383 1.297 7.988 1.00 0.00 C ATOM 913 CG GLN A 56 9.907 0.620 9.244 1.00 0.00 C ATOM 914 CD GLN A 56 9.938 1.555 10.437 1.00 0.00 C ATOM 915 OE1 GLN A 56 9.247 1.333 11.432 1.00 0.00 O ATOM 916 NE2 GLN A 56 10.742 2.607 10.343 1.00 0.00 N ATOM 0 H GLN A 56 8.593 0.217 5.918 1.00 0.00 H new ATOM 0 HA GLN A 56 7.528 0.323 8.471 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.965 0.957 7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.538 2.373 8.072 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.280 -0.241 9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.912 0.242 9.057 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.297 2.751 9.499 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.805 3.271 11.115 1.00 0.00 H new ATOM 925 N HIS A 57 6.733 2.910 6.719 1.00 0.00 N ATOM 926 CA HIS A 57 5.953 4.144 6.721 1.00 0.00 C ATOM 927 C HIS A 57 4.550 3.879 7.249 1.00 0.00 C ATOM 928 O HIS A 57 4.140 4.439 8.264 1.00 0.00 O ATOM 929 CB HIS A 57 5.872 4.740 5.315 1.00 0.00 C ATOM 930 CG HIS A 57 6.464 6.111 5.210 1.00 0.00 C ATOM 931 ND1 HIS A 57 5.761 7.201 4.738 1.00 0.00 N ATOM 932 CD2 HIS A 57 7.698 6.572 5.523 1.00 0.00 C ATOM 933 CE1 HIS A 57 6.536 8.270 4.764 1.00 0.00 C ATOM 934 NE2 HIS A 57 7.716 7.916 5.237 1.00 0.00 N ATOM 0 H HIS A 57 6.964 2.555 5.791 1.00 0.00 H new ATOM 0 HA HIS A 57 6.453 4.860 7.373 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.386 4.077 4.618 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.827 4.780 5.006 1.00 0.00 H new ATOM 0 HD1 HIS A 57 4.792 7.184 4.418 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.516 5.991 5.923 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.252 9.264 4.452 1.00 0.00 H new ATOM 942 N LEU A 58 3.817 3.021 6.546 1.00 0.00 N ATOM 943 CA LEU A 58 2.451 2.673 6.930 1.00 0.00 C ATOM 944 C LEU A 58 2.337 2.423 8.428 1.00 0.00 C ATOM 945 O LEU A 58 1.384 2.862 9.072 1.00 0.00 O ATOM 946 CB LEU A 58 1.992 1.430 6.173 1.00 0.00 C ATOM 947 CG LEU A 58 0.508 1.416 5.822 1.00 0.00 C ATOM 948 CD1 LEU A 58 0.311 1.736 4.353 1.00 0.00 C ATOM 949 CD2 LEU A 58 -0.122 0.074 6.175 1.00 0.00 C ATOM 0 H LEU A 58 4.147 2.551 5.703 1.00 0.00 H new ATOM 0 HA LEU A 58 1.812 3.518 6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.571 1.346 5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.219 0.549 6.774 1.00 0.00 H new ATOM 0 HG LEU A 58 0.008 2.184 6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.753 1.722 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.718 2.724 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.827 0.992 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.180 0.089 5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.377 -0.720 5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.013 -0.109 7.244 1.00 0.00 H new ATOM 961 N LEU A 59 3.313 1.712 8.973 1.00 0.00 N ATOM 962 CA LEU A 59 3.325 1.398 10.394 1.00 0.00 C ATOM 963 C LEU A 59 3.435 2.669 11.224 1.00 0.00 C ATOM 964 O LEU A 59 2.580 2.952 12.064 1.00 0.00 O ATOM 965 CB LEU A 59 4.485 0.459 10.716 1.00 0.00 C ATOM 966 CG LEU A 59 4.223 -0.520 11.860 1.00 0.00 C ATOM 967 CD1 LEU A 59 3.489 -1.751 11.349 1.00 0.00 C ATOM 968 CD2 LEU A 59 5.531 -0.912 12.532 1.00 0.00 C ATOM 0 H LEU A 59 4.108 1.341 8.452 1.00 0.00 H new ATOM 0 HA LEU A 59 2.387 0.902 10.645 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.732 -0.110 9.820 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.361 1.059 10.964 1.00 0.00 H new ATOM 0 HG LEU A 59 3.591 -0.029 12.600 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.310 -2.438 12.176 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.536 -1.452 10.914 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.094 -2.247 10.590 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.328 -1.609 13.345 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.187 -1.386 11.802 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.016 -0.021 12.931 1.00 0.00 H new ATOM 980 N LYS A 60 4.491 3.436 10.980 1.00 0.00 N ATOM 981 CA LYS A 60 4.711 4.683 11.700 1.00 0.00 C ATOM 982 C LYS A 60 3.485 5.584 11.597 1.00 0.00 C ATOM 983 O LYS A 60 3.142 6.294 12.539 1.00 0.00 O ATOM 984 CB LYS A 60 5.938 5.405 11.141 1.00 0.00 C ATOM 985 CG LYS A 60 6.258 6.706 11.858 1.00 0.00 C ATOM 986 CD LYS A 60 7.693 7.141 11.606 1.00 0.00 C ATOM 987 CE LYS A 60 7.783 8.630 11.314 1.00 0.00 C ATOM 988 NZ LYS A 60 7.937 8.906 9.858 1.00 0.00 N ATOM 0 H LYS A 60 5.208 3.216 10.289 1.00 0.00 H new ATOM 0 HA LYS A 60 4.884 4.449 12.750 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.801 4.742 11.207 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.776 5.613 10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.575 7.486 11.521 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.097 6.582 12.929 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.304 6.903 12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.102 6.579 10.766 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.886 9.127 11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.629 9.055 11.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.994 9.933 9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.806 8.454 9.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.118 8.524 9.344 1.00 0.00 H new ATOM 1002 N PHE A 61 2.831 5.543 10.441 1.00 0.00 N ATOM 1003 CA PHE A 61 1.643 6.353 10.201 1.00 0.00 C ATOM 1004 C PHE A 61 0.465 5.862 11.037 1.00 0.00 C ATOM 1005 O PHE A 61 -0.270 6.661 11.618 1.00 0.00 O ATOM 1006 CB PHE A 61 1.285 6.337 8.715 1.00 0.00 C ATOM 1007 CG PHE A 61 1.719 7.578 7.990 1.00 0.00 C ATOM 1008 CD1 PHE A 61 0.907 8.699 7.964 1.00 0.00 C ATOM 1009 CD2 PHE A 61 2.941 7.623 7.341 1.00 0.00 C ATOM 1010 CE1 PHE A 61 1.305 9.845 7.302 1.00 0.00 C ATOM 1011 CE2 PHE A 61 3.345 8.765 6.676 1.00 0.00 C ATOM 1012 CZ PHE A 61 2.526 9.877 6.658 1.00 0.00 C ATOM 0 H PHE A 61 3.105 4.955 9.654 1.00 0.00 H new ATOM 0 HA PHE A 61 1.864 7.378 10.500 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.748 5.469 8.246 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.207 6.220 8.609 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.049 8.678 8.467 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.585 6.756 7.355 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.663 10.713 7.288 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.300 8.788 6.171 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.840 10.771 6.140 1.00 0.00 H new ATOM 1022 N LEU A 62 0.291 4.546 11.100 1.00 0.00 N ATOM 1023 CA LEU A 62 -0.799 3.961 11.870 1.00 0.00 C ATOM 1024 C LEU A 62 -0.721 4.397 13.332 1.00 0.00 C ATOM 1025 O LEU A 62 -1.705 4.868 13.896 1.00 0.00 O ATOM 1026 CB LEU A 62 -0.757 2.433 11.777 1.00 0.00 C ATOM 1027 CG LEU A 62 -1.279 1.849 10.462 1.00 0.00 C ATOM 1028 CD1 LEU A 62 -0.502 0.600 10.078 1.00 0.00 C ATOM 1029 CD2 LEU A 62 -2.764 1.541 10.574 1.00 0.00 C ATOM 0 H LEU A 62 0.889 3.867 10.629 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.741 4.315 11.451 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.272 2.104 11.920 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.341 2.018 12.598 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.135 2.591 9.677 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.891 0.203 9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.552 0.850 9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.609 -0.150 10.861 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.122 1.126 9.632 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.926 0.818 11.373 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.310 2.458 10.797 1.00 0.00 H new ATOM 1041 N LEU A 63 0.451 4.246 13.938 1.00 0.00 N ATOM 1042 CA LEU A 63 0.644 4.633 15.332 1.00 0.00 C ATOM 1043 C LEU A 63 0.591 6.151 15.500 1.00 0.00 C ATOM 1044 O LEU A 63 0.178 6.656 16.543 1.00 0.00 O ATOM 1045 CB LEU A 63 1.973 4.087 15.852 1.00 0.00 C ATOM 1046 CG LEU A 63 1.963 2.589 16.168 1.00 0.00 C ATOM 1047 CD1 LEU A 63 3.201 1.909 15.604 1.00 0.00 C ATOM 1048 CD2 LEU A 63 1.860 2.360 17.670 1.00 0.00 C ATOM 0 H LEU A 63 1.281 3.859 13.488 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.170 4.204 15.916 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.747 4.284 15.111 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.248 4.634 16.754 1.00 0.00 H new ATOM 0 HG LEU A 63 1.088 2.146 15.692 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.172 0.845 15.841 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.227 2.039 14.522 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.093 2.354 16.044 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.854 1.290 17.875 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.714 2.820 18.168 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.938 2.806 18.044 1.00 0.00 H new ATOM 1060 N ARG A 64 1.013 6.872 14.464 1.00 0.00 N ATOM 1061 CA ARG A 64 1.015 8.332 14.498 1.00 0.00 C ATOM 1062 C ARG A 64 -0.383 8.882 14.776 1.00 0.00 C ATOM 1063 O ARG A 64 -0.543 9.827 15.549 1.00 0.00 O ATOM 1064 CB ARG A 64 1.553 8.901 13.182 1.00 0.00 C ATOM 1065 CG ARG A 64 3.051 9.163 13.205 1.00 0.00 C ATOM 1066 CD ARG A 64 3.410 10.461 12.497 1.00 0.00 C ATOM 1067 NE ARG A 64 3.749 11.522 13.443 1.00 0.00 N ATOM 1068 CZ ARG A 64 4.670 12.457 13.215 1.00 0.00 C ATOM 1069 NH1 ARG A 64 5.337 12.485 12.067 1.00 0.00 N ATOM 1070 NH2 ARG A 64 4.922 13.375 14.140 1.00 0.00 N ATOM 0 H ARG A 64 1.357 6.470 13.592 1.00 0.00 H new ATOM 0 HA ARG A 64 1.671 8.643 15.311 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.326 8.205 12.374 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.032 9.832 12.957 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.397 9.205 14.238 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.572 8.333 12.728 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.253 10.288 11.828 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.572 10.781 11.878 1.00 0.00 H new ATOM 0 HE ARG A 64 3.250 11.548 14.332 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.146 11.786 11.349 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.040 13.206 11.903 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.411 13.363 15.023 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.627 14.092 13.968 1.00 0.00 H new ATOM 1084 N GLU A 65 -1.393 8.289 14.145 1.00 0.00 N ATOM 1085 CA GLU A 65 -2.774 8.729 14.335 1.00 0.00 C ATOM 1086 C GLU A 65 -3.524 7.805 15.296 1.00 0.00 C ATOM 1087 O GLU A 65 -4.587 8.160 15.808 1.00 0.00 O ATOM 1088 CB GLU A 65 -3.497 8.795 12.986 1.00 0.00 C ATOM 1089 CG GLU A 65 -3.832 10.211 12.546 1.00 0.00 C ATOM 1090 CD GLU A 65 -5.232 10.330 11.975 1.00 0.00 C ATOM 1091 OE1 GLU A 65 -5.435 9.928 10.811 1.00 0.00 O ATOM 1092 OE2 GLU A 65 -6.126 10.826 12.694 1.00 0.00 O ATOM 0 H GLU A 65 -1.283 7.506 13.500 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.754 9.725 14.777 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.874 8.325 12.225 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.418 8.215 13.047 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.733 10.885 13.397 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.110 10.535 11.797 1.00 0.00 H new ATOM 1099 N LEU A 66 -2.963 6.624 15.543 1.00 0.00 N ATOM 1100 CA LEU A 66 -3.574 5.655 16.450 1.00 0.00 C ATOM 1101 C LEU A 66 -3.630 6.208 17.871 1.00 0.00 C ATOM 1102 O LEU A 66 -2.729 5.966 18.674 1.00 0.00 O ATOM 1103 CB LEU A 66 -2.771 4.350 16.440 1.00 0.00 C ATOM 1104 CG LEU A 66 -3.379 3.185 15.650 1.00 0.00 C ATOM 1105 CD1 LEU A 66 -4.050 3.669 14.368 1.00 0.00 C ATOM 1106 CD2 LEU A 66 -2.305 2.151 15.338 1.00 0.00 C ATOM 0 H LEU A 66 -2.085 6.314 15.127 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.591 5.460 16.109 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.782 4.560 16.033 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.630 4.027 17.471 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.149 2.722 16.267 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.470 2.817 13.833 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.847 4.370 14.617 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.313 4.166 13.737 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.745 1.327 14.777 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.516 2.613 14.745 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.884 1.772 16.269 1.00 0.00 H new ATOM 1118 N GLY A 67 -4.690 6.948 18.183 1.00 0.00 N ATOM 1119 CA GLY A 67 -4.830 7.516 19.514 1.00 0.00 C ATOM 1120 C GLY A 67 -5.126 6.471 20.580 1.00 0.00 C ATOM 1121 O GLY A 67 -5.260 6.801 21.758 1.00 0.00 O ATOM 0 H GLY A 67 -5.453 7.164 17.541 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.913 8.044 19.776 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.632 8.255 19.505 1.00 0.00 H new ATOM 1125 N THR A 68 -5.235 5.212 20.167 1.00 0.00 N ATOM 1126 CA THR A 68 -5.523 4.119 21.087 1.00 0.00 C ATOM 1127 C THR A 68 -4.310 3.198 21.218 1.00 0.00 C ATOM 1128 O THR A 68 -3.347 3.319 20.462 1.00 0.00 O ATOM 1129 CB THR A 68 -6.754 3.331 20.621 1.00 0.00 C ATOM 1130 OG1 THR A 68 -6.377 2.215 19.841 1.00 0.00 O ATOM 1131 CG2 THR A 68 -7.734 4.154 19.802 1.00 0.00 C ATOM 0 H THR A 68 -5.127 4.923 19.195 1.00 0.00 H new ATOM 0 HA THR A 68 -5.741 4.542 22.068 1.00 0.00 H new ATOM 0 HB THR A 68 -7.250 3.021 21.541 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.771 2.504 19.127 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.578 3.529 19.509 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.093 4.992 20.399 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.235 4.532 18.910 1.00 0.00 H new ATOM 1139 N ALA A 69 -4.368 2.286 22.187 1.00 0.00 N ATOM 1140 CA ALA A 69 -3.279 1.335 22.445 1.00 0.00 C ATOM 1141 C ALA A 69 -2.506 0.981 21.175 1.00 0.00 C ATOM 1142 O ALA A 69 -1.275 1.002 21.164 1.00 0.00 O ATOM 1143 CB ALA A 69 -3.822 0.071 23.098 1.00 0.00 C ATOM 0 H ALA A 69 -5.165 2.183 22.815 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.581 1.823 23.126 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.003 -0.624 23.283 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.301 0.327 24.043 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.551 -0.396 22.436 1.00 0.00 H new ATOM 1149 N GLY A 70 -3.232 0.663 20.110 1.00 0.00 N ATOM 1150 CA GLY A 70 -2.591 0.317 18.854 1.00 0.00 C ATOM 1151 C GLY A 70 -1.805 -0.977 18.940 1.00 0.00 C ATOM 1152 O GLY A 70 -0.691 -1.001 19.463 1.00 0.00 O ATOM 0 H GLY A 70 -4.252 0.638 20.093 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.349 0.227 18.076 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.923 1.125 18.556 1.00 0.00 H new ATOM 1156 N ASN A 71 -2.388 -2.056 18.425 1.00 0.00 N ATOM 1157 CA ASN A 71 -1.739 -3.363 18.443 1.00 0.00 C ATOM 1158 C ASN A 71 -2.364 -4.295 17.411 1.00 0.00 C ATOM 1159 O ASN A 71 -3.437 -4.020 16.884 1.00 0.00 O ATOM 1160 CB ASN A 71 -1.849 -3.994 19.832 1.00 0.00 C ATOM 1161 CG ASN A 71 -0.820 -5.085 20.057 1.00 0.00 C ATOM 1162 OD1 ASN A 71 0.378 -4.872 19.871 1.00 0.00 O ATOM 1163 ND2 ASN A 71 -1.285 -6.263 20.459 1.00 0.00 N ATOM 0 H ASN A 71 -3.310 -2.051 17.989 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.688 -3.217 18.195 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.725 -3.220 20.590 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.848 -4.409 19.961 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.640 -7.036 20.626 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.287 -6.395 20.601 1.00 0.00 H new ATOM 1170 N LEU A 72 -1.693 -5.403 17.134 1.00 0.00 N ATOM 1171 CA LEU A 72 -2.193 -6.375 16.171 1.00 0.00 C ATOM 1172 C LEU A 72 -2.917 -7.514 16.889 1.00 0.00 C ATOM 1173 O LEU A 72 -2.293 -8.303 17.597 1.00 0.00 O ATOM 1174 CB LEU A 72 -1.037 -6.936 15.335 1.00 0.00 C ATOM 1175 CG LEU A 72 0.057 -5.929 14.951 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -0.549 -4.603 14.507 1.00 0.00 C ATOM 1177 CD2 LEU A 72 1.020 -5.719 16.111 1.00 0.00 C ATOM 0 H LEU A 72 -0.801 -5.652 17.562 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.899 -5.873 15.509 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.575 -7.753 15.889 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.448 -7.364 14.421 1.00 0.00 H new ATOM 0 HG LEU A 72 0.614 -6.340 14.109 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.249 -3.909 14.241 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.190 -4.768 13.641 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.140 -4.182 15.321 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.788 -5.002 15.821 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.473 -5.336 16.973 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.489 -6.668 16.371 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.232 -7.612 16.686 1.00 0.00 N ATOM 1190 CA GLU A 73 -5.019 -8.681 17.302 1.00 0.00 C ATOM 1191 C GLU A 73 -5.385 -9.739 16.264 1.00 0.00 C ATOM 1192 O GLU A 73 -5.427 -9.456 15.068 1.00 0.00 O ATOM 1193 CB GLU A 73 -6.297 -8.139 17.953 1.00 0.00 C ATOM 1194 CG GLU A 73 -6.155 -6.757 18.567 1.00 0.00 C ATOM 1195 CD GLU A 73 -7.153 -6.513 19.681 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -7.161 -7.294 20.654 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -7.932 -5.541 19.576 1.00 0.00 O ATOM 0 H GLU A 73 -4.771 -6.970 16.105 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.403 -9.131 18.080 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.087 -8.110 17.203 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.618 -8.835 18.728 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.144 -6.638 18.956 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.289 -6.003 17.792 1.00 0.00 H new ATOM 1204 N GLY A 74 -5.664 -10.952 16.730 1.00 0.00 N ATOM 1205 CA GLY A 74 -6.036 -12.024 15.824 1.00 0.00 C ATOM 1206 C GLY A 74 -4.919 -12.396 14.869 1.00 0.00 C ATOM 1207 O GLY A 74 -3.897 -11.714 14.801 1.00 0.00 O ATOM 0 H GLY A 74 -5.639 -11.212 17.716 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.320 -12.902 16.404 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.913 -11.722 15.251 1.00 0.00 H new ATOM 1211 N GLY A 75 -5.113 -13.485 14.129 1.00 0.00 N ATOM 1212 CA GLY A 75 -4.106 -13.933 13.182 1.00 0.00 C ATOM 1213 C GLY A 75 -3.608 -12.819 12.280 1.00 0.00 C ATOM 1214 O GLY A 75 -2.478 -12.863 11.794 1.00 0.00 O ATOM 0 H GLY A 75 -5.951 -14.066 14.169 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.263 -14.356 13.728 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.521 -14.732 12.568 1.00 0.00 H new ATOM 1218 N ARG A 76 -4.455 -11.819 12.056 1.00 0.00 N ATOM 1219 CA ARG A 76 -4.099 -10.686 11.207 1.00 0.00 C ATOM 1220 C ARG A 76 -3.554 -9.533 12.050 1.00 0.00 C ATOM 1221 O ARG A 76 -3.001 -9.755 13.127 1.00 0.00 O ATOM 1222 CB ARG A 76 -5.317 -10.227 10.398 1.00 0.00 C ATOM 1223 CG ARG A 76 -6.241 -11.364 9.988 1.00 0.00 C ATOM 1224 CD ARG A 76 -7.569 -11.290 10.724 1.00 0.00 C ATOM 1225 NE ARG A 76 -8.480 -12.362 10.325 1.00 0.00 N ATOM 1226 CZ ARG A 76 -9.807 -12.240 10.297 1.00 0.00 C ATOM 1227 NH1 ARG A 76 -10.388 -11.102 10.659 1.00 0.00 N ATOM 1228 NH2 ARG A 76 -10.556 -13.262 9.908 1.00 0.00 N ATOM 0 H ARG A 76 -5.394 -11.770 12.451 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.319 -11.003 10.515 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.883 -9.505 10.987 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.973 -9.709 9.503 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.416 -11.323 8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.760 -12.320 10.197 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.391 -11.347 11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.038 -10.325 10.529 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.075 -13.257 10.052 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.818 -10.312 10.962 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.404 -11.018 10.634 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.117 -14.140 9.631 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.572 -13.171 9.886 1.00 0.00 H new ATOM 1242 N ALA A 77 -3.712 -8.302 11.566 1.00 0.00 N ATOM 1243 CA ALA A 77 -3.234 -7.134 12.296 1.00 0.00 C ATOM 1244 C ALA A 77 -4.388 -6.203 12.655 1.00 0.00 C ATOM 1245 O ALA A 77 -4.588 -5.163 12.024 1.00 0.00 O ATOM 1246 CB ALA A 77 -2.168 -6.400 11.495 1.00 0.00 C ATOM 0 H ALA A 77 -4.165 -8.090 10.677 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.782 -7.477 13.227 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.824 -5.532 12.057 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.327 -7.069 11.310 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.588 -6.074 10.544 1.00 0.00 H new ATOM 1252 N ILE A 78 -5.146 -6.592 13.679 1.00 0.00 N ATOM 1253 CA ILE A 78 -6.285 -5.806 14.141 1.00 0.00 C ATOM 1254 C ILE A 78 -5.836 -4.723 15.116 1.00 0.00 C ATOM 1255 O ILE A 78 -5.708 -4.968 16.311 1.00 0.00 O ATOM 1256 CB ILE A 78 -7.340 -6.694 14.836 1.00 0.00 C ATOM 1257 CG1 ILE A 78 -7.636 -7.938 13.994 1.00 0.00 C ATOM 1258 CG2 ILE A 78 -8.616 -5.906 15.094 1.00 0.00 C ATOM 1259 CD1 ILE A 78 -8.251 -9.076 14.784 1.00 0.00 C ATOM 0 H ILE A 78 -4.989 -7.451 14.206 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.732 -5.346 13.260 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.937 -7.018 15.796 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.310 -7.665 13.183 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.710 -8.285 13.536 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.348 -6.548 15.584 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.394 -5.054 15.736 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.022 -5.551 14.147 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.433 -9.922 14.122 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.569 -9.377 15.579 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.194 -8.748 15.220 1.00 0.00 H new ATOM 1271 N LEU A 79 -5.597 -3.524 14.602 1.00 0.00 N ATOM 1272 CA LEU A 79 -5.165 -2.414 15.444 1.00 0.00 C ATOM 1273 C LEU A 79 -6.332 -1.496 15.766 1.00 0.00 C ATOM 1274 O LEU A 79 -7.437 -1.687 15.269 1.00 0.00 O ATOM 1275 CB LEU A 79 -4.048 -1.628 14.761 1.00 0.00 C ATOM 1276 CG LEU A 79 -4.439 -0.994 13.427 1.00 0.00 C ATOM 1277 CD1 LEU A 79 -4.858 0.454 13.626 1.00 0.00 C ATOM 1278 CD2 LEU A 79 -3.293 -1.095 12.429 1.00 0.00 C ATOM 0 H LEU A 79 -5.694 -3.295 13.613 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.782 -2.825 16.378 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.710 -0.842 15.436 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.201 -2.294 14.597 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.290 -1.541 13.022 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.133 0.889 12.665 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.713 0.496 14.301 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.029 1.017 14.055 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.591 -0.638 11.485 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.420 -0.576 12.824 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.047 -2.144 12.262 1.00 0.00 H new ATOM 1290 N GLN A 80 -6.083 -0.502 16.608 1.00 0.00 N ATOM 1291 CA GLN A 80 -7.125 0.435 17.003 1.00 0.00 C ATOM 1292 C GLN A 80 -6.587 1.860 17.058 1.00 0.00 C ATOM 1293 O GLN A 80 -5.524 2.111 17.623 1.00 0.00 O ATOM 1294 CB GLN A 80 -7.699 0.030 18.364 1.00 0.00 C ATOM 1295 CG GLN A 80 -9.209 -0.105 18.369 1.00 0.00 C ATOM 1296 CD GLN A 80 -9.882 0.843 19.342 1.00 0.00 C ATOM 1297 OE1 GLN A 80 -10.070 2.024 19.049 1.00 0.00 O ATOM 1298 NE2 GLN A 80 -10.249 0.327 20.509 1.00 0.00 N ATOM 0 H GLN A 80 -5.171 -0.324 17.029 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.918 0.404 16.256 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.257 -0.919 18.668 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.406 0.771 19.108 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.589 0.083 17.365 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.476 -1.130 18.625 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.073 -0.658 20.709 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.707 0.915 21.205 1.00 0.00 H new ATOM 1307 N GLY A 81 -7.330 2.788 16.461 1.00 0.00 N ATOM 1308 CA GLY A 81 -6.913 4.177 16.447 1.00 0.00 C ATOM 1309 C GLY A 81 -7.916 5.079 15.750 1.00 0.00 C ATOM 1310 O GLY A 81 -8.987 5.355 16.289 1.00 0.00 O ATOM 0 H GLY A 81 -8.214 2.601 15.987 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.771 4.521 17.472 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.948 4.258 15.947 1.00 0.00 H new ATOM 1314 N LYS A 82 -7.569 5.539 14.550 1.00 0.00 N ATOM 1315 CA LYS A 82 -8.453 6.413 13.786 1.00 0.00 C ATOM 1316 C LYS A 82 -8.196 6.296 12.286 1.00 0.00 C ATOM 1317 O LYS A 82 -8.552 7.188 11.517 1.00 0.00 O ATOM 1318 CB LYS A 82 -8.282 7.868 14.225 1.00 0.00 C ATOM 1319 CG LYS A 82 -9.322 8.806 13.630 1.00 0.00 C ATOM 1320 CD LYS A 82 -9.323 10.154 14.330 1.00 0.00 C ATOM 1321 CE LYS A 82 -10.735 10.700 14.486 1.00 0.00 C ATOM 1322 NZ LYS A 82 -10.973 11.885 13.617 1.00 0.00 N ATOM 0 H LYS A 82 -6.686 5.322 14.088 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.476 6.095 13.985 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.336 7.920 15.312 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.288 8.211 13.939 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.121 8.947 12.568 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.310 8.353 13.710 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.859 10.056 15.311 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.719 10.861 13.761 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.455 9.919 14.240 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.905 10.974 15.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.946 12.226 13.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.303 12.640 13.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.836 11.618 12.621 1.00 0.00 H new ATOM 1336 N PHE A 83 -7.591 5.192 11.867 1.00 0.00 N ATOM 1337 CA PHE A 83 -7.309 4.975 10.453 1.00 0.00 C ATOM 1338 C PHE A 83 -8.560 4.496 9.722 1.00 0.00 C ATOM 1339 O PHE A 83 -8.516 3.520 8.971 1.00 0.00 O ATOM 1340 CB PHE A 83 -6.171 3.964 10.284 1.00 0.00 C ATOM 1341 CG PHE A 83 -4.855 4.604 9.947 1.00 0.00 C ATOM 1342 CD1 PHE A 83 -4.461 5.776 10.566 1.00 0.00 C ATOM 1343 CD2 PHE A 83 -4.012 4.035 9.008 1.00 0.00 C ATOM 1344 CE1 PHE A 83 -3.253 6.366 10.257 1.00 0.00 C ATOM 1345 CE2 PHE A 83 -2.803 4.618 8.694 1.00 0.00 C ATOM 1346 CZ PHE A 83 -2.423 5.785 9.320 1.00 0.00 C ATOM 0 H PHE A 83 -7.287 4.437 12.482 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.998 5.924 10.016 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -6.063 3.391 11.205 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.436 3.257 9.498 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -5.107 6.235 11.300 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.306 3.121 8.514 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.957 7.281 10.748 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.156 4.161 7.960 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.476 6.245 9.078 1.00 0.00 H new ATOM 1356 N THR A 84 -9.679 5.184 9.945 1.00 0.00 N ATOM 1357 CA THR A 84 -10.926 4.824 9.310 1.00 0.00 C ATOM 1358 C THR A 84 -10.888 5.147 7.819 1.00 0.00 C ATOM 1359 O THR A 84 -11.480 6.123 7.359 1.00 0.00 O ATOM 1360 CB THR A 84 -12.098 5.521 10.003 1.00 0.00 C ATOM 1361 OG1 THR A 84 -13.320 4.946 9.594 1.00 0.00 O ATOM 1362 CG2 THR A 84 -12.174 7.007 9.736 1.00 0.00 C ATOM 0 H THR A 84 -9.738 5.993 10.563 1.00 0.00 H new ATOM 0 HA THR A 84 -11.069 3.748 9.409 1.00 0.00 H new ATOM 0 HB THR A 84 -11.924 5.382 11.070 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.062 5.400 10.045 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.031 7.428 10.262 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.261 7.487 10.088 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.285 7.179 8.665 1.00 0.00 H new ATOM 1370 N HIS A 85 -10.164 4.316 7.073 1.00 0.00 N ATOM 1371 CA HIS A 85 -10.005 4.491 5.631 1.00 0.00 C ATOM 1372 C HIS A 85 -9.788 5.959 5.279 1.00 0.00 C ATOM 1373 O HIS A 85 -10.278 6.448 4.261 1.00 0.00 O ATOM 1374 CB HIS A 85 -11.230 3.953 4.892 1.00 0.00 C ATOM 1375 CG HIS A 85 -12.500 4.662 5.242 1.00 0.00 C ATOM 1376 ND1 HIS A 85 -13.232 4.380 6.376 1.00 0.00 N ATOM 1377 CD2 HIS A 85 -13.170 5.646 4.599 1.00 0.00 C ATOM 1378 CE1 HIS A 85 -14.299 5.158 6.416 1.00 0.00 C ATOM 1379 NE2 HIS A 85 -14.284 5.936 5.349 1.00 0.00 N ATOM 0 H HIS A 85 -9.673 3.505 7.449 1.00 0.00 H new ATOM 0 HA HIS A 85 -9.125 3.929 5.319 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -11.062 4.036 3.818 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -11.342 2.892 5.116 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.883 6.116 3.670 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -15.054 5.158 7.188 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -14.986 6.639 5.119 1.00 0.00 H new ATOM 1387 N PHE A 86 -9.034 6.646 6.128 1.00 0.00 N ATOM 1388 CA PHE A 86 -8.720 8.050 5.917 1.00 0.00 C ATOM 1389 C PHE A 86 -7.422 8.189 5.140 1.00 0.00 C ATOM 1390 O PHE A 86 -7.427 8.477 3.944 1.00 0.00 O ATOM 1391 CB PHE A 86 -8.620 8.782 7.255 1.00 0.00 C ATOM 1392 CG PHE A 86 -9.759 9.728 7.494 1.00 0.00 C ATOM 1393 CD1 PHE A 86 -10.019 10.757 6.605 1.00 0.00 C ATOM 1394 CD2 PHE A 86 -10.578 9.579 8.600 1.00 0.00 C ATOM 1395 CE1 PHE A 86 -11.075 11.623 6.818 1.00 0.00 C ATOM 1396 CE2 PHE A 86 -11.637 10.439 8.817 1.00 0.00 C ATOM 1397 CZ PHE A 86 -11.885 11.464 7.924 1.00 0.00 C ATOM 0 H PHE A 86 -8.627 6.248 6.975 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.524 8.501 5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -8.588 8.050 8.062 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -7.682 9.336 7.290 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -9.390 10.884 5.736 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.387 8.781 9.302 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -11.266 12.424 6.119 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -12.270 10.311 9.683 1.00 0.00 H new ATOM 0 HZ PHE A 86 -12.711 12.139 8.091 1.00 0.00 H new ATOM 1407 N LEU A 87 -6.311 7.974 5.834 1.00 0.00 N ATOM 1408 CA LEU A 87 -4.998 8.069 5.222 1.00 0.00 C ATOM 1409 C LEU A 87 -4.728 6.864 4.323 1.00 0.00 C ATOM 1410 O LEU A 87 -4.221 7.020 3.213 1.00 0.00 O ATOM 1411 CB LEU A 87 -3.915 8.186 6.303 1.00 0.00 C ATOM 1412 CG LEU A 87 -2.760 9.146 5.987 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -1.806 8.527 4.975 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -3.289 10.481 5.477 1.00 0.00 C ATOM 0 H LEU A 87 -6.297 7.732 6.825 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.973 8.966 4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.387 8.508 7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.500 7.195 6.484 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.210 9.328 6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.995 9.225 4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.394 7.603 5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.345 8.310 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.452 11.145 5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.869 10.319 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.924 10.935 6.237 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.068 5.660 4.794 1.00 0.00 N ATOM 1427 CA ILE A 88 -4.840 4.460 3.992 1.00 0.00 C ATOM 1428 C ILE A 88 -5.542 4.554 2.639 1.00 0.00 C ATOM 1429 O ILE A 88 -4.897 4.529 1.594 1.00 0.00 O ATOM 1430 CB ILE A 88 -5.333 3.167 4.688 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -4.904 3.102 6.162 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -4.817 1.953 3.930 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -5.217 1.766 6.818 1.00 0.00 C ATOM 0 H ILE A 88 -5.493 5.494 5.706 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.759 4.404 3.862 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.423 3.173 4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.833 3.291 6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.404 3.897 6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.164 1.043 4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.189 1.978 2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.727 1.966 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.889 1.785 7.857 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.291 1.585 6.779 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.695 0.969 6.288 1.00 0.00 H new ATOM 1445 N ASN A 89 -6.865 4.639 2.673 1.00 0.00 N ATOM 1446 CA ASN A 89 -7.667 4.707 1.453 1.00 0.00 C ATOM 1447 C ASN A 89 -7.248 5.863 0.543 1.00 0.00 C ATOM 1448 O ASN A 89 -7.148 5.695 -0.673 1.00 0.00 O ATOM 1449 CB ASN A 89 -9.150 4.834 1.809 1.00 0.00 C ATOM 1450 CG ASN A 89 -10.035 4.943 0.583 1.00 0.00 C ATOM 1451 OD1 ASN A 89 -10.961 5.752 0.542 1.00 0.00 O ATOM 1452 ND2 ASN A 89 -9.752 4.126 -0.427 1.00 0.00 N ATOM 0 H ASN A 89 -7.410 4.663 3.535 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.496 3.782 0.902 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.454 3.968 2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.295 5.713 2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.312 4.155 -1.279 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.974 3.470 -0.350 1.00 0.00 H new ATOM 1459 N GLU A 90 -7.018 7.035 1.127 1.00 0.00 N ATOM 1460 CA GLU A 90 -6.628 8.215 0.350 1.00 0.00 C ATOM 1461 C GLU A 90 -5.418 7.926 -0.529 1.00 0.00 C ATOM 1462 O GLU A 90 -5.453 8.123 -1.744 1.00 0.00 O ATOM 1463 CB GLU A 90 -6.301 9.380 1.287 1.00 0.00 C ATOM 1464 CG GLU A 90 -7.261 10.552 1.168 1.00 0.00 C ATOM 1465 CD GLU A 90 -6.763 11.623 0.216 1.00 0.00 C ATOM 1466 OE1 GLU A 90 -5.610 11.512 -0.255 1.00 0.00 O ATOM 1467 OE2 GLU A 90 -7.525 12.573 -0.059 1.00 0.00 O ATOM 0 H GLU A 90 -7.094 7.197 2.131 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.469 8.480 -0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.308 9.020 2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.289 9.729 1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.230 10.189 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.416 10.991 2.154 1.00 0.00 H new ATOM 1474 N ARG A 91 -4.346 7.475 0.103 1.00 0.00 N ATOM 1475 CA ARG A 91 -3.111 7.172 -0.600 1.00 0.00 C ATOM 1476 C ARG A 91 -3.294 6.009 -1.576 1.00 0.00 C ATOM 1477 O ARG A 91 -2.827 6.073 -2.712 1.00 0.00 O ATOM 1478 CB ARG A 91 -2.015 6.858 0.410 1.00 0.00 C ATOM 1479 CG ARG A 91 -0.690 7.543 0.129 1.00 0.00 C ATOM 1480 CD ARG A 91 -0.045 7.014 -1.139 1.00 0.00 C ATOM 1481 NE ARG A 91 0.569 8.088 -1.912 1.00 0.00 N ATOM 1482 CZ ARG A 91 0.807 8.023 -3.217 1.00 0.00 C ATOM 1483 NH1 ARG A 91 0.559 6.908 -3.888 1.00 0.00 N ATOM 1484 NH2 ARG A 91 1.311 9.072 -3.850 1.00 0.00 N ATOM 0 H ARG A 91 -4.308 7.310 1.109 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.823 8.045 -1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.358 7.150 1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.856 5.780 0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.848 8.618 0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.015 7.391 0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.710 6.271 -0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.795 6.509 -1.747 1.00 0.00 H new ATOM 0 HE ARG A 91 0.832 8.942 -1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.183 6.093 -3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.744 6.864 -4.890 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.516 9.928 -3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.494 9.023 -4.852 1.00 0.00 H new ATOM 1498 N ILE A 92 -3.969 4.939 -1.143 1.00 0.00 N ATOM 1499 CA ILE A 92 -4.183 3.791 -2.025 1.00 0.00 C ATOM 1500 C ILE A 92 -4.861 4.243 -3.316 1.00 0.00 C ATOM 1501 O ILE A 92 -4.346 4.040 -4.414 1.00 0.00 O ATOM 1502 CB ILE A 92 -5.084 2.717 -1.374 1.00 0.00 C ATOM 1503 CG1 ILE A 92 -4.451 2.153 -0.104 1.00 0.00 C ATOM 1504 CG2 ILE A 92 -5.372 1.591 -2.362 1.00 0.00 C ATOM 1505 CD1 ILE A 92 -5.430 1.381 0.753 1.00 0.00 C ATOM 0 H ILE A 92 -4.368 4.845 -0.209 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.201 3.361 -2.224 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.023 3.196 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.622 1.500 -0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.032 2.972 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.008 0.844 -1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.880 1.996 -3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.434 1.128 -2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.920 1.006 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.246 2.038 1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.830 0.543 0.183 1.00 0.00 H new ATOM 1517 N GLU A 93 -6.025 4.861 -3.158 1.00 0.00 N ATOM 1518 CA GLU A 93 -6.801 5.354 -4.287 1.00 0.00 C ATOM 1519 C GLU A 93 -6.000 6.365 -5.101 1.00 0.00 C ATOM 1520 O GLU A 93 -6.265 6.571 -6.286 1.00 0.00 O ATOM 1521 CB GLU A 93 -8.103 5.983 -3.786 1.00 0.00 C ATOM 1522 CG GLU A 93 -9.312 5.655 -4.648 1.00 0.00 C ATOM 1523 CD GLU A 93 -9.869 6.874 -5.358 1.00 0.00 C ATOM 1524 OE1 GLU A 93 -10.299 7.820 -4.665 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -9.874 6.881 -6.607 1.00 0.00 O ATOM 0 H GLU A 93 -6.455 5.033 -2.249 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.038 4.513 -4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.291 5.644 -2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.981 7.065 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.034 4.904 -5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.090 5.215 -4.024 1.00 0.00 H new ATOM 1532 N ASP A 94 -5.019 6.993 -4.460 1.00 0.00 N ATOM 1533 CA ASP A 94 -4.179 7.981 -5.127 1.00 0.00 C ATOM 1534 C ASP A 94 -3.343 7.332 -6.228 1.00 0.00 C ATOM 1535 O ASP A 94 -3.303 7.821 -7.356 1.00 0.00 O ATOM 1536 CB ASP A 94 -3.267 8.678 -4.112 1.00 0.00 C ATOM 1537 CG ASP A 94 -3.778 10.048 -3.716 1.00 0.00 C ATOM 1538 OD1 ASP A 94 -4.935 10.138 -3.252 1.00 0.00 O ATOM 1539 OD2 ASP A 94 -3.022 11.030 -3.865 1.00 0.00 O ATOM 0 H ASP A 94 -4.786 6.835 -3.480 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.830 8.725 -5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.178 8.056 -3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.267 8.775 -4.534 1.00 0.00 H new ATOM 1544 N TYR A 95 -2.677 6.230 -5.895 1.00 0.00 N ATOM 1545 CA TYR A 95 -1.850 5.520 -6.864 1.00 0.00 C ATOM 1546 C TYR A 95 -2.677 4.515 -7.649 1.00 0.00 C ATOM 1547 O TYR A 95 -2.781 4.595 -8.872 1.00 0.00 O ATOM 1548 CB TYR A 95 -0.709 4.788 -6.157 1.00 0.00 C ATOM 1549 CG TYR A 95 0.456 4.469 -7.064 1.00 0.00 C ATOM 1550 CD1 TYR A 95 0.324 3.553 -8.100 1.00 0.00 C ATOM 1551 CD2 TYR A 95 1.688 5.084 -6.886 1.00 0.00 C ATOM 1552 CE1 TYR A 95 1.387 3.260 -8.933 1.00 0.00 C ATOM 1553 CE2 TYR A 95 2.756 4.797 -7.715 1.00 0.00 C ATOM 1554 CZ TYR A 95 2.599 3.885 -8.736 1.00 0.00 C ATOM 1555 OH TYR A 95 3.660 3.597 -9.564 1.00 0.00 O ATOM 0 H TYR A 95 -2.694 5.811 -4.965 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.438 6.257 -7.553 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -0.356 5.399 -5.326 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.092 3.861 -5.731 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -0.625 3.062 -8.257 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.814 5.799 -6.086 1.00 0.00 H new ATOM 0 HE1 TYR A 95 1.268 2.545 -9.734 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.708 5.285 -7.564 1.00 0.00 H new ATOM 0 HH TYR A 95 3.749 4.302 -10.239 1.00 0.00 H new ATOM 1565 N VAL A 96 -3.264 3.567 -6.926 1.00 0.00 N ATOM 1566 CA VAL A 96 -4.086 2.533 -7.537 1.00 0.00 C ATOM 1567 C VAL A 96 -5.090 3.131 -8.512 1.00 0.00 C ATOM 1568 O VAL A 96 -5.249 2.639 -9.629 1.00 0.00 O ATOM 1569 CB VAL A 96 -4.839 1.715 -6.471 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.564 0.542 -7.109 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -3.880 1.235 -5.392 1.00 0.00 C ATOM 0 H VAL A 96 -3.184 3.495 -5.912 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.412 1.872 -8.081 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.583 2.360 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.090 -0.023 -6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.282 0.912 -7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.841 -0.106 -7.605 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.429 0.659 -4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.111 0.607 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.412 2.095 -4.913 1.00 0.00 H new ATOM 1581 N ASN A 97 -5.760 4.198 -8.091 1.00 0.00 N ATOM 1582 CA ASN A 97 -6.738 4.863 -8.941 1.00 0.00 C ATOM 1583 C ASN A 97 -6.238 6.242 -9.368 1.00 0.00 C ATOM 1584 O ASN A 97 -6.950 7.238 -9.239 1.00 0.00 O ATOM 1585 CB ASN A 97 -8.081 4.978 -8.216 1.00 0.00 C ATOM 1586 CG ASN A 97 -9.257 4.929 -9.172 1.00 0.00 C ATOM 1587 OD1 ASN A 97 -9.414 5.800 -10.027 1.00 0.00 O ATOM 1588 ND2 ASN A 97 -10.094 3.906 -9.030 1.00 0.00 N ATOM 0 H ASN A 97 -5.644 4.619 -7.169 1.00 0.00 H new ATOM 0 HA ASN A 97 -6.878 4.261 -9.839 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -8.171 4.169 -7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.110 5.912 -7.655 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.904 3.821 -9.644 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.926 3.206 -8.307 1.00 0.00 H new ATOM 1595 N LYS A 98 -5.008 6.293 -9.873 1.00 0.00 N ATOM 1596 CA LYS A 98 -4.412 7.551 -10.316 1.00 0.00 C ATOM 1597 C LYS A 98 -4.899 7.927 -11.717 1.00 0.00 C ATOM 1598 O LYS A 98 -4.702 9.055 -12.169 1.00 0.00 O ATOM 1599 CB LYS A 98 -2.885 7.443 -10.307 1.00 0.00 C ATOM 1600 CG LYS A 98 -2.340 6.488 -11.356 1.00 0.00 C ATOM 1601 CD LYS A 98 -0.822 6.551 -11.446 1.00 0.00 C ATOM 1602 CE LYS A 98 -0.361 7.294 -12.692 1.00 0.00 C ATOM 1603 NZ LYS A 98 -1.083 6.841 -13.917 1.00 0.00 N ATOM 0 H LYS A 98 -4.405 5.478 -9.986 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.722 8.334 -9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.457 8.432 -10.470 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.558 7.113 -9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.648 5.470 -11.115 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.772 6.730 -12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.425 7.046 -10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.416 5.540 -11.455 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.518 8.364 -12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.710 7.144 -12.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.446 6.899 -14.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.397 5.858 -13.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.910 7.451 -14.078 1.00 0.00 H new ATOM 1617 N PHE A 99 -5.534 6.979 -12.400 1.00 0.00 N ATOM 1618 CA PHE A 99 -6.047 7.217 -13.743 1.00 0.00 C ATOM 1619 C PHE A 99 -7.214 8.201 -13.718 1.00 0.00 C ATOM 1620 O PHE A 99 -7.213 9.199 -14.439 1.00 0.00 O ATOM 1621 CB PHE A 99 -6.488 5.897 -14.380 1.00 0.00 C ATOM 1622 CG PHE A 99 -5.751 5.566 -15.644 1.00 0.00 C ATOM 1623 CD1 PHE A 99 -4.370 5.457 -15.648 1.00 0.00 C ATOM 1624 CD2 PHE A 99 -6.440 5.366 -16.829 1.00 0.00 C ATOM 1625 CE1 PHE A 99 -3.689 5.154 -16.811 1.00 0.00 C ATOM 1626 CE2 PHE A 99 -5.765 5.062 -17.995 1.00 0.00 C ATOM 1627 CZ PHE A 99 -4.387 4.956 -17.987 1.00 0.00 C ATOM 0 H PHE A 99 -5.705 6.039 -12.044 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.246 7.653 -14.340 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.342 5.090 -13.662 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.556 5.945 -14.593 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.820 5.611 -14.732 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.517 5.449 -16.841 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.612 5.072 -16.801 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.314 4.907 -18.912 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.857 4.719 -18.898 1.00 0.00 H new ATOM 1637 N VAL A 100 -8.210 7.911 -12.886 1.00 0.00 N ATOM 1638 CA VAL A 100 -9.383 8.771 -12.771 1.00 0.00 C ATOM 1639 C VAL A 100 -9.095 9.992 -11.900 1.00 0.00 C ATOM 1640 O VAL A 100 -9.779 11.010 -12.002 1.00 0.00 O ATOM 1641 CB VAL A 100 -10.588 8.006 -12.188 1.00 0.00 C ATOM 1642 CG1 VAL A 100 -11.868 8.812 -12.357 1.00 0.00 C ATOM 1643 CG2 VAL A 100 -10.721 6.640 -12.844 1.00 0.00 C ATOM 0 H VAL A 100 -8.228 7.089 -12.283 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.628 9.103 -13.780 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.418 7.858 -11.122 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -12.707 8.255 -11.939 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.770 9.764 -11.836 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -12.046 8.995 -13.417 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.577 6.115 -12.420 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.867 6.764 -13.917 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.815 6.061 -12.666 1.00 0.00 H new ATOM 1653 N ILE A 101 -8.082 9.887 -11.044 1.00 0.00 N ATOM 1654 CA ILE A 101 -7.713 10.988 -10.161 1.00 0.00 C ATOM 1655 C ILE A 101 -6.650 11.880 -10.803 1.00 0.00 C ATOM 1656 O ILE A 101 -6.812 13.099 -10.872 1.00 0.00 O ATOM 1657 CB ILE A 101 -7.198 10.473 -8.798 1.00 0.00 C ATOM 1658 CG1 ILE A 101 -8.342 9.823 -8.013 1.00 0.00 C ATOM 1659 CG2 ILE A 101 -6.575 11.610 -7.994 1.00 0.00 C ATOM 1660 CD1 ILE A 101 -7.944 9.345 -6.632 1.00 0.00 C ATOM 0 H ILE A 101 -7.504 9.053 -10.944 1.00 0.00 H new ATOM 0 HA ILE A 101 -8.616 11.575 -9.994 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.428 9.723 -8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.158 10.540 -7.918 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.726 8.977 -8.583 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.219 11.227 -7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.738 12.033 -8.550 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.322 12.384 -7.819 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.807 8.897 -6.139 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.150 8.603 -6.719 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.588 10.190 -6.043 1.00 0.00 H new ATOM 1672 N CYS A 102 -5.569 11.268 -11.278 1.00 0.00 N ATOM 1673 CA CYS A 102 -4.490 12.015 -11.917 1.00 0.00 C ATOM 1674 C CYS A 102 -4.729 12.162 -13.421 1.00 0.00 C ATOM 1675 O CYS A 102 -3.835 12.573 -14.161 1.00 0.00 O ATOM 1676 CB CYS A 102 -3.146 11.326 -11.667 1.00 0.00 C ATOM 1677 SG CYS A 102 -1.715 12.420 -11.826 1.00 0.00 S ATOM 0 H CYS A 102 -5.417 10.260 -11.233 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.470 13.012 -11.477 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -3.151 10.895 -10.666 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -3.038 10.499 -12.369 1.00 0.00 H new ATOM 0 HG CYS A 102 -0.627 11.747 -11.595 1.00 0.00 H new ATOM 1682 N HIS A 103 -5.940 11.826 -13.869 1.00 0.00 N ATOM 1683 CA HIS A 103 -6.294 11.925 -15.284 1.00 0.00 C ATOM 1684 C HIS A 103 -5.301 11.158 -16.156 1.00 0.00 C ATOM 1685 O HIS A 103 -4.713 11.721 -17.082 1.00 0.00 O ATOM 1686 CB HIS A 103 -6.349 13.395 -15.714 1.00 0.00 C ATOM 1687 CG HIS A 103 -7.709 14.009 -15.575 1.00 0.00 C ATOM 1688 ND1 HIS A 103 -8.284 14.297 -14.355 1.00 0.00 N ATOM 1689 CD2 HIS A 103 -8.610 14.393 -16.510 1.00 0.00 C ATOM 1690 CE1 HIS A 103 -9.478 14.829 -14.545 1.00 0.00 C ATOM 1691 NE2 HIS A 103 -9.699 14.899 -15.845 1.00 0.00 N ATOM 0 H HIS A 103 -6.692 11.483 -13.271 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.279 11.477 -15.418 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.638 13.967 -15.117 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.028 13.474 -16.753 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.493 14.315 -17.581 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -10.157 15.152 -13.770 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -10.542 15.269 -16.284 1.00 0.00 H new ATOM 1699 N GLU A 104 -5.111 9.872 -15.845 1.00 0.00 N ATOM 1700 CA GLU A 104 -4.186 9.007 -16.585 1.00 0.00 C ATOM 1701 C GLU A 104 -2.903 9.750 -16.936 1.00 0.00 C ATOM 1702 O GLU A 104 -2.694 10.140 -18.084 1.00 0.00 O ATOM 1703 CB GLU A 104 -4.828 8.417 -17.854 1.00 0.00 C ATOM 1704 CG GLU A 104 -5.730 9.369 -18.629 1.00 0.00 C ATOM 1705 CD GLU A 104 -5.406 9.413 -20.111 1.00 0.00 C ATOM 1706 OE1 GLU A 104 -4.575 8.599 -20.565 1.00 0.00 O ATOM 1707 OE2 GLU A 104 -5.984 10.265 -20.819 1.00 0.00 O ATOM 0 H GLU A 104 -5.591 9.403 -15.077 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.940 8.175 -15.926 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.034 8.074 -18.517 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.410 7.539 -17.573 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.769 9.065 -18.498 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.636 10.372 -18.212 1.00 0.00 H new ATOM 1714 N CYS A 105 -2.053 9.952 -15.935 1.00 0.00 N ATOM 1715 CA CYS A 105 -0.796 10.661 -16.131 1.00 0.00 C ATOM 1716 C CYS A 105 0.176 9.848 -16.981 1.00 0.00 C ATOM 1717 O CYS A 105 1.243 9.451 -16.511 1.00 0.00 O ATOM 1718 CB CYS A 105 -0.158 10.996 -14.783 1.00 0.00 C ATOM 1719 SG CYS A 105 0.687 12.595 -14.747 1.00 0.00 S ATOM 0 H CYS A 105 -2.213 9.634 -14.979 1.00 0.00 H new ATOM 0 HA CYS A 105 -1.017 11.587 -16.662 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.931 10.988 -14.015 1.00 0.00 H new ATOM 0 HB3 CYS A 105 0.556 10.213 -14.526 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.163 13.528 -14.438 1.00 0.00 H new ATOM 1724 N ASN A 106 -0.193 9.613 -18.235 1.00 0.00 N ATOM 1725 CA ASN A 106 0.658 8.862 -19.148 1.00 0.00 C ATOM 1726 C ASN A 106 1.864 9.711 -19.563 1.00 0.00 C ATOM 1727 O ASN A 106 2.808 9.875 -18.789 1.00 0.00 O ATOM 1728 CB ASN A 106 -0.141 8.404 -20.374 1.00 0.00 C ATOM 1729 CG ASN A 106 -0.706 7.007 -20.210 1.00 0.00 C ATOM 1730 OD1 ASN A 106 -0.506 6.360 -19.184 1.00 0.00 O ATOM 1731 ND2 ASN A 106 -1.416 6.535 -21.229 1.00 0.00 N ATOM 0 H ASN A 106 -1.073 9.931 -18.641 1.00 0.00 H new ATOM 0 HA ASN A 106 1.025 7.972 -18.636 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -0.957 9.104 -20.554 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.502 8.431 -21.254 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -1.821 5.600 -21.179 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -1.556 7.108 -22.061 1.00 0.00 H new ATOM 1738 N ARG A 107 1.828 10.260 -20.779 1.00 0.00 N ATOM 1739 CA ARG A 107 2.913 11.100 -21.278 1.00 0.00 C ATOM 1740 C ARG A 107 2.522 12.582 -21.333 1.00 0.00 C ATOM 1741 O ARG A 107 2.562 13.189 -22.403 1.00 0.00 O ATOM 1742 CB ARG A 107 3.342 10.633 -22.670 1.00 0.00 C ATOM 1743 CG ARG A 107 2.174 10.383 -23.616 1.00 0.00 C ATOM 1744 CD ARG A 107 2.226 11.296 -24.831 1.00 0.00 C ATOM 1745 NE ARG A 107 0.933 11.930 -25.088 1.00 0.00 N ATOM 1746 CZ ARG A 107 0.767 13.238 -25.290 1.00 0.00 C ATOM 1747 NH1 ARG A 107 1.808 14.062 -25.294 1.00 0.00 N ATOM 1748 NH2 ARG A 107 -0.451 13.723 -25.497 1.00 0.00 N ATOM 0 H ARG A 107 1.057 10.136 -21.435 1.00 0.00 H new ATOM 0 HA ARG A 107 3.743 11.001 -20.579 1.00 0.00 H new ATOM 0 HB2 ARG A 107 4.000 11.383 -23.109 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.923 9.716 -22.573 1.00 0.00 H new ATOM 0 HG2 ARG A 107 2.187 9.343 -23.942 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.236 10.539 -23.084 1.00 0.00 H new ATOM 0 HD2 ARG A 107 2.984 12.064 -24.676 1.00 0.00 H new ATOM 0 HD3 ARG A 107 2.529 10.721 -25.706 1.00 0.00 H new ATOM 0 HE ARG A 107 0.106 11.334 -25.114 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.748 13.697 -25.141 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.668 15.060 -25.450 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.256 13.096 -25.501 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.582 14.723 -25.652 1.00 0.00 H new ATOM 1762 N PRO A 108 2.141 13.202 -20.202 1.00 0.00 N ATOM 1763 CA PRO A 108 1.759 14.616 -20.194 1.00 0.00 C ATOM 1764 C PRO A 108 2.825 15.508 -20.823 1.00 0.00 C ATOM 1765 O PRO A 108 4.014 15.188 -20.790 1.00 0.00 O ATOM 1766 CB PRO A 108 1.610 14.950 -18.708 1.00 0.00 C ATOM 1767 CG PRO A 108 1.360 13.644 -18.036 1.00 0.00 C ATOM 1768 CD PRO A 108 2.051 12.593 -18.863 1.00 0.00 C ATOM 0 HA PRO A 108 0.853 14.787 -20.775 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.510 15.427 -18.320 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.785 15.643 -18.541 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.748 13.652 -17.018 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.291 13.442 -17.968 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.037 12.355 -18.465 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.483 11.663 -18.884 1.00 0.00 H new ATOM 1776 N ASP A 109 2.395 16.633 -21.386 1.00 0.00 N ATOM 1777 CA ASP A 109 3.311 17.581 -22.013 1.00 0.00 C ATOM 1778 C ASP A 109 3.752 18.637 -21.004 1.00 0.00 C ATOM 1779 O ASP A 109 3.942 19.804 -21.350 1.00 0.00 O ATOM 1780 CB ASP A 109 2.633 18.257 -23.205 1.00 0.00 C ATOM 1781 CG ASP A 109 1.302 18.878 -22.829 1.00 0.00 C ATOM 1782 OD1 ASP A 109 0.292 18.145 -22.806 1.00 0.00 O ATOM 1783 OD2 ASP A 109 1.273 20.095 -22.553 1.00 0.00 O ATOM 0 H ASP A 109 1.414 16.911 -21.421 1.00 0.00 H new ATOM 0 HA ASP A 109 4.189 17.037 -22.362 1.00 0.00 H new ATOM 0 HB2 ASP A 109 3.291 19.028 -23.606 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.480 17.524 -23.997 1.00 0.00 H new ATOM 1788 N THR A 110 3.897 18.219 -19.753 1.00 0.00 N ATOM 1789 CA THR A 110 4.297 19.114 -18.676 1.00 0.00 C ATOM 1790 C THR A 110 5.549 18.596 -17.977 1.00 0.00 C ATOM 1791 O THR A 110 6.069 17.536 -18.324 1.00 0.00 O ATOM 1792 CB THR A 110 3.156 19.287 -17.675 1.00 0.00 C ATOM 1793 OG1 THR A 110 2.331 18.136 -17.652 1.00 0.00 O ATOM 1794 CG2 THR A 110 2.276 20.480 -17.983 1.00 0.00 C ATOM 0 H THR A 110 3.741 17.255 -19.458 1.00 0.00 H new ATOM 0 HA THR A 110 4.529 20.087 -19.109 1.00 0.00 H new ATOM 0 HB THR A 110 3.634 19.445 -16.708 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.524 18.323 -17.129 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.484 20.550 -17.237 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.876 21.390 -17.962 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.834 20.360 -18.972 1.00 0.00 H new ATOM 1802 N ARG A 111 6.045 19.358 -17.008 1.00 0.00 N ATOM 1803 CA ARG A 111 7.256 18.978 -16.290 1.00 0.00 C ATOM 1804 C ARG A 111 6.936 18.094 -15.089 1.00 0.00 C ATOM 1805 O ARG A 111 6.517 18.573 -14.036 1.00 0.00 O ATOM 1806 CB ARG A 111 8.004 20.230 -15.832 1.00 0.00 C ATOM 1807 CG ARG A 111 8.391 21.149 -16.975 1.00 0.00 C ATOM 1808 CD ARG A 111 9.890 21.384 -17.015 1.00 0.00 C ATOM 1809 NE ARG A 111 10.614 20.175 -17.396 1.00 0.00 N ATOM 1810 CZ ARG A 111 10.523 19.616 -18.600 1.00 0.00 C ATOM 1811 NH1 ARG A 111 9.759 20.168 -19.535 1.00 0.00 N ATOM 1812 NH2 ARG A 111 11.198 18.507 -18.870 1.00 0.00 N ATOM 0 H ARG A 111 5.630 20.238 -16.703 1.00 0.00 H new ATOM 0 HA ARG A 111 7.887 18.406 -16.971 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.380 20.780 -15.128 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.904 19.931 -15.295 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.064 20.714 -17.920 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.875 22.103 -16.867 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.115 22.182 -17.723 1.00 0.00 H new ATOM 0 HD3 ARG A 111 10.232 21.720 -16.036 1.00 0.00 H new ATOM 0 HE ARG A 111 11.221 19.736 -16.704 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.240 21.022 -19.331 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.691 19.738 -20.457 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.788 18.082 -18.154 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.128 18.079 -19.793 1.00 0.00 H new ATOM 1826 N ILE A 112 7.150 16.794 -15.273 1.00 0.00 N ATOM 1827 CA ILE A 112 6.903 15.806 -14.231 1.00 0.00 C ATOM 1828 C ILE A 112 8.220 15.327 -13.621 1.00 0.00 C ATOM 1829 O ILE A 112 9.230 15.212 -14.314 1.00 0.00 O ATOM 1830 CB ILE A 112 6.129 14.593 -14.800 1.00 0.00 C ATOM 1831 CG1 ILE A 112 4.788 15.045 -15.381 1.00 0.00 C ATOM 1832 CG2 ILE A 112 5.913 13.526 -13.732 1.00 0.00 C ATOM 1833 CD1 ILE A 112 4.172 14.043 -16.333 1.00 0.00 C ATOM 0 H ILE A 112 7.498 16.398 -16.146 1.00 0.00 H new ATOM 0 HA ILE A 112 6.301 16.281 -13.456 1.00 0.00 H new ATOM 0 HB ILE A 112 6.729 14.153 -15.597 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.092 15.232 -14.563 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.928 15.991 -15.903 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.367 12.686 -14.162 1.00 0.00 H new ATOM 0 HG22 ILE A 112 6.878 13.180 -13.363 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.339 13.948 -12.907 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.224 14.430 -16.705 1.00 0.00 H new ATOM 0 HD12 ILE A 112 4.849 13.873 -17.170 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.999 13.103 -15.810 1.00 0.00 H new ATOM 1845 N ILE A 113 8.197 15.041 -12.324 1.00 0.00 N ATOM 1846 CA ILE A 113 9.381 14.571 -11.619 1.00 0.00 C ATOM 1847 C ILE A 113 9.008 13.457 -10.649 1.00 0.00 C ATOM 1848 O ILE A 113 7.990 13.542 -9.972 1.00 0.00 O ATOM 1849 CB ILE A 113 10.058 15.718 -10.837 1.00 0.00 C ATOM 1850 CG1 ILE A 113 11.349 15.232 -10.172 1.00 0.00 C ATOM 1851 CG2 ILE A 113 9.105 16.289 -9.794 1.00 0.00 C ATOM 1852 CD1 ILE A 113 12.047 16.300 -9.357 1.00 0.00 C ATOM 0 H ILE A 113 7.366 15.127 -11.738 1.00 0.00 H new ATOM 0 HA ILE A 113 10.082 14.193 -12.364 1.00 0.00 H new ATOM 0 HB ILE A 113 10.313 16.508 -11.543 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.119 14.385 -9.526 1.00 0.00 H new ATOM 0 HG13 ILE A 113 12.031 14.870 -10.941 1.00 0.00 H new ATOM 0 HG21 ILE A 113 9.599 17.096 -9.253 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.214 16.676 -10.288 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.819 15.504 -9.094 1.00 0.00 H new ATOM 0 HD11 ILE A 113 12.953 15.886 -8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.308 17.138 -10.003 1.00 0.00 H new ATOM 0 HD13 ILE A 113 11.382 16.646 -8.565 1.00 0.00 H new ATOM 1864 N ARG A 114 9.831 12.413 -10.592 1.00 0.00 N ATOM 1865 CA ARG A 114 9.570 11.285 -9.702 1.00 0.00 C ATOM 1866 C ARG A 114 10.824 10.909 -8.921 1.00 0.00 C ATOM 1867 O ARG A 114 11.844 10.542 -9.506 1.00 0.00 O ATOM 1868 CB ARG A 114 9.073 10.072 -10.492 1.00 0.00 C ATOM 1869 CG ARG A 114 8.167 9.150 -9.691 1.00 0.00 C ATOM 1870 CD ARG A 114 7.191 8.403 -10.583 1.00 0.00 C ATOM 1871 NE ARG A 114 7.865 7.713 -11.682 1.00 0.00 N ATOM 1872 CZ ARG A 114 7.563 7.885 -12.968 1.00 0.00 C ATOM 1873 NH1 ARG A 114 6.593 8.717 -13.331 1.00 0.00 N ATOM 1874 NH2 ARG A 114 8.233 7.216 -13.898 1.00 0.00 N ATOM 0 H ARG A 114 10.681 12.325 -11.149 1.00 0.00 H new ATOM 0 HA ARG A 114 8.795 11.591 -8.999 1.00 0.00 H new ATOM 0 HB2 ARG A 114 8.535 10.420 -11.374 1.00 0.00 H new ATOM 0 HB3 ARG A 114 9.933 9.504 -10.847 1.00 0.00 H new ATOM 0 HG2 ARG A 114 8.775 8.434 -9.138 1.00 0.00 H new ATOM 0 HG3 ARG A 114 7.613 9.734 -8.955 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.637 7.678 -9.986 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.462 9.105 -10.989 1.00 0.00 H new ATOM 0 HE ARG A 114 8.613 7.059 -11.450 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.071 9.232 -12.622 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.370 8.841 -14.319 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.977 6.572 -13.627 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.004 7.345 -14.884 1.00 0.00 H new ATOM 1888 N GLU A 115 10.742 10.999 -7.598 1.00 0.00 N ATOM 1889 CA GLU A 115 11.873 10.667 -6.740 1.00 0.00 C ATOM 1890 C GLU A 115 11.485 9.617 -5.703 1.00 0.00 C ATOM 1891 O GLU A 115 10.343 9.572 -5.245 1.00 0.00 O ATOM 1892 CB GLU A 115 12.401 11.922 -6.047 1.00 0.00 C ATOM 1893 CG GLU A 115 13.585 11.658 -5.131 1.00 0.00 C ATOM 1894 CD GLU A 115 14.526 12.843 -5.038 1.00 0.00 C ATOM 1895 OE1 GLU A 115 14.038 13.972 -4.829 1.00 0.00 O ATOM 1896 OE2 GLU A 115 15.750 12.643 -5.174 1.00 0.00 O ATOM 0 H GLU A 115 9.905 11.299 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 115 12.661 10.251 -7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 115 12.693 12.650 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.596 12.372 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.220 11.409 -4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 115 14.135 10.790 -5.495 1.00 0.00 H new ATOM 1903 N GLY A 116 12.444 8.768 -5.348 1.00 0.00 N ATOM 1904 CA GLY A 116 12.190 7.719 -4.379 1.00 0.00 C ATOM 1905 C GLY A 116 11.829 6.402 -5.040 1.00 0.00 C ATOM 1906 O GLY A 116 11.337 5.484 -4.384 1.00 0.00 O ATOM 0 H GLY A 116 13.395 8.788 -5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.074 7.581 -3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.379 8.026 -3.718 1.00 0.00 H new ATOM 1910 N ARG A 117 12.077 6.309 -6.345 1.00 0.00 N ATOM 1911 CA ARG A 117 11.781 5.098 -7.101 1.00 0.00 C ATOM 1912 C ARG A 117 10.279 4.849 -7.187 1.00 0.00 C ATOM 1913 O ARG A 117 9.751 3.944 -6.541 1.00 0.00 O ATOM 1914 CB ARG A 117 12.486 3.889 -6.482 1.00 0.00 C ATOM 1915 CG ARG A 117 13.730 3.469 -7.243 1.00 0.00 C ATOM 1916 CD ARG A 117 13.380 2.735 -8.527 1.00 0.00 C ATOM 1917 NE ARG A 117 14.278 3.101 -9.621 1.00 0.00 N ATOM 1918 CZ ARG A 117 14.089 4.149 -10.422 1.00 0.00 C ATOM 1919 NH1 ARG A 117 12.999 4.897 -10.308 1.00 0.00 N ATOM 1920 NH2 ARG A 117 14.989 4.438 -11.352 1.00 0.00 N ATOM 0 H ARG A 117 12.484 7.062 -6.901 1.00 0.00 H new ATOM 0 HA ARG A 117 12.157 5.241 -8.114 1.00 0.00 H new ATOM 0 HB2 ARG A 117 12.759 4.123 -5.453 1.00 0.00 H new ATOM 0 HB3 ARG A 117 11.790 3.051 -6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 117 14.328 4.350 -7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 117 14.344 2.826 -6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 117 13.433 1.660 -8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 117 12.352 2.963 -8.808 1.00 0.00 H new ATOM 0 HE ARG A 117 15.100 2.518 -9.781 1.00 0.00 H new ATOM 0 HH11 ARG A 117 12.297 4.672 -9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.863 5.697 -10.926 1.00 0.00 H new ATOM 0 HH21 ARG A 117 15.823 3.859 -11.452 1.00 0.00 H new ATOM 0 HH22 ARG A 117 14.848 5.239 -11.967 1.00 0.00 H new ATOM 1934 N ILE A 118 9.596 5.659 -7.990 1.00 0.00 N ATOM 1935 CA ILE A 118 8.154 5.526 -8.164 1.00 0.00 C ATOM 1936 C ILE A 118 7.425 5.664 -6.831 1.00 0.00 C ATOM 1937 O ILE A 118 6.467 4.942 -6.560 1.00 0.00 O ATOM 1938 CB ILE A 118 7.785 4.167 -8.795 1.00 0.00 C ATOM 1939 CG1 ILE A 118 8.666 3.884 -10.016 1.00 0.00 C ATOM 1940 CG2 ILE A 118 6.310 4.140 -9.177 1.00 0.00 C ATOM 1941 CD1 ILE A 118 9.359 2.540 -9.964 1.00 0.00 C ATOM 0 H ILE A 118 10.018 6.414 -8.530 1.00 0.00 H new ATOM 0 HA ILE A 118 7.842 6.328 -8.834 1.00 0.00 H new ATOM 0 HB ILE A 118 7.962 3.384 -8.058 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.052 3.932 -10.916 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.418 4.668 -10.101 1.00 0.00 H new ATOM 0 HG21 ILE A 118 6.067 3.175 -9.621 1.00 0.00 H new ATOM 0 HG22 ILE A 118 5.701 4.294 -8.286 1.00 0.00 H new ATOM 0 HG23 ILE A 118 6.106 4.932 -9.898 1.00 0.00 H new ATOM 0 HD11 ILE A 118 9.965 2.408 -10.860 1.00 0.00 H new ATOM 0 HD12 ILE A 118 9.999 2.495 -9.083 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.612 1.748 -9.911 1.00 0.00 H new ATOM 1953 N SER A 119 7.885 6.592 -6.001 1.00 0.00 N ATOM 1954 CA SER A 119 7.270 6.812 -4.694 1.00 0.00 C ATOM 1955 C SER A 119 6.731 8.235 -4.567 1.00 0.00 C ATOM 1956 O SER A 119 5.638 8.449 -4.044 1.00 0.00 O ATOM 1957 CB SER A 119 8.280 6.536 -3.577 1.00 0.00 C ATOM 1958 OG SER A 119 7.758 5.615 -2.634 1.00 0.00 O ATOM 0 H SER A 119 8.677 7.202 -6.206 1.00 0.00 H new ATOM 0 HA SER A 119 6.433 6.120 -4.600 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.201 6.141 -4.005 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.536 7.469 -3.075 1.00 0.00 H new ATOM 0 HG SER A 119 8.422 5.454 -1.932 1.00 0.00 H new ATOM 1964 N LEU A 120 7.503 9.201 -5.051 1.00 0.00 N ATOM 1965 CA LEU A 120 7.102 10.604 -4.992 1.00 0.00 C ATOM 1966 C LEU A 120 7.177 11.254 -6.368 1.00 0.00 C ATOM 1967 O LEU A 120 7.920 10.802 -7.233 1.00 0.00 O ATOM 1968 CB LEU A 120 8.000 11.375 -4.026 1.00 0.00 C ATOM 1969 CG LEU A 120 7.963 10.901 -2.570 1.00 0.00 C ATOM 1970 CD1 LEU A 120 9.286 10.255 -2.186 1.00 0.00 C ATOM 1971 CD2 LEU A 120 7.649 12.063 -1.638 1.00 0.00 C ATOM 0 H LEU A 120 8.410 9.040 -5.489 1.00 0.00 H new ATOM 0 HA LEU A 120 6.071 10.637 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 120 9.028 11.312 -4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.716 12.427 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 120 7.173 10.156 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.242 9.924 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.473 9.398 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.092 10.980 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 120 7.627 11.707 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.417 12.830 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.678 12.485 -1.897 1.00 0.00 H new ATOM 1983 N LEU A 121 6.414 12.328 -6.558 1.00 0.00 N ATOM 1984 CA LEU A 121 6.408 13.049 -7.828 1.00 0.00 C ATOM 1985 C LEU A 121 5.545 14.305 -7.744 1.00 0.00 C ATOM 1986 O LEU A 121 4.834 14.507 -6.762 1.00 0.00 O ATOM 1987 CB LEU A 121 5.911 12.141 -8.958 1.00 0.00 C ATOM 1988 CG LEU A 121 4.490 11.598 -8.789 1.00 0.00 C ATOM 1989 CD1 LEU A 121 3.485 12.507 -9.482 1.00 0.00 C ATOM 1990 CD2 LEU A 121 4.396 10.180 -9.333 1.00 0.00 C ATOM 0 H LEU A 121 5.793 12.718 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 121 7.432 13.353 -8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.960 12.696 -9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 121 6.595 11.298 -9.051 1.00 0.00 H new ATOM 0 HG LEU A 121 4.252 11.575 -7.725 1.00 0.00 H new ATOM 0 HD11 LEU A 121 2.480 12.105 -9.351 1.00 0.00 H new ATOM 0 HD12 LEU A 121 3.536 13.505 -9.046 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.718 12.563 -10.545 1.00 0.00 H new ATOM 0 HD21 LEU A 121 3.379 9.808 -9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 121 4.653 10.179 -10.392 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.089 9.536 -8.791 1.00 0.00 H new ATOM 2002 N LYS A 122 5.623 15.158 -8.768 1.00 0.00 N ATOM 2003 CA LYS A 122 4.851 16.401 -8.794 1.00 0.00 C ATOM 2004 C LYS A 122 3.965 16.479 -10.037 1.00 0.00 C ATOM 2005 O LYS A 122 4.327 15.986 -11.105 1.00 0.00 O ATOM 2006 CB LYS A 122 5.778 17.615 -8.740 1.00 0.00 C ATOM 2007 CG LYS A 122 5.034 18.929 -8.565 1.00 0.00 C ATOM 2008 CD LYS A 122 5.956 20.122 -8.737 1.00 0.00 C ATOM 2009 CE LYS A 122 5.498 21.303 -7.894 1.00 0.00 C ATOM 2010 NZ LYS A 122 5.514 20.987 -6.438 1.00 0.00 N ATOM 0 H LYS A 122 6.212 15.011 -9.588 1.00 0.00 H new ATOM 0 HA LYS A 122 4.209 16.406 -7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 122 6.481 17.491 -7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 122 6.365 17.657 -9.657 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.223 18.988 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.579 18.961 -7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.971 19.843 -8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.986 20.412 -9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.145 22.159 -8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.490 21.592 -8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.651 21.863 -5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.610 20.549 -6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.292 20.328 -6.234 1.00 0.00 H new ATOM 2024 N CYS A 123 2.790 17.091 -9.884 1.00 0.00 N ATOM 2025 CA CYS A 123 1.839 17.222 -10.982 1.00 0.00 C ATOM 2026 C CYS A 123 1.109 18.563 -10.926 1.00 0.00 C ATOM 2027 O CYS A 123 -0.120 18.612 -10.999 1.00 0.00 O ATOM 2028 CB CYS A 123 0.821 16.081 -10.923 1.00 0.00 C ATOM 2029 SG CYS A 123 1.434 14.507 -11.569 1.00 0.00 S ATOM 0 H CYS A 123 2.476 17.504 -9.006 1.00 0.00 H new ATOM 0 HA CYS A 123 2.394 17.174 -11.919 1.00 0.00 H new ATOM 0 HB2 CYS A 123 0.510 15.940 -9.888 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -0.066 16.371 -11.486 1.00 0.00 H new ATOM 0 HG CYS A 123 0.442 13.679 -11.708 1.00 0.00 H new ATOM 2034 N GLU A 124 1.865 19.648 -10.793 1.00 0.00 N ATOM 2035 CA GLU A 124 1.278 20.984 -10.722 1.00 0.00 C ATOM 2036 C GLU A 124 0.338 21.246 -11.899 1.00 0.00 C ATOM 2037 O GLU A 124 -0.607 22.028 -11.785 1.00 0.00 O ATOM 2038 CB GLU A 124 2.378 22.046 -10.695 1.00 0.00 C ATOM 2039 CG GLU A 124 3.199 22.098 -11.974 1.00 0.00 C ATOM 2040 CD GLU A 124 4.404 23.010 -11.859 1.00 0.00 C ATOM 2041 OE1 GLU A 124 4.213 24.241 -11.775 1.00 0.00 O ATOM 2042 OE2 GLU A 124 5.541 22.492 -11.857 1.00 0.00 O ATOM 0 H GLU A 124 2.883 19.630 -10.732 1.00 0.00 H new ATOM 0 HA GLU A 124 0.696 21.040 -9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.926 23.023 -10.522 1.00 0.00 H new ATOM 0 HB3 GLU A 124 3.042 21.849 -9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.533 21.092 -12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.567 22.440 -12.793 1.00 0.00 H new ATOM 2049 N ALA A 125 0.606 20.595 -13.027 1.00 0.00 N ATOM 2050 CA ALA A 125 -0.215 20.767 -14.222 1.00 0.00 C ATOM 2051 C ALA A 125 -1.577 20.102 -14.058 1.00 0.00 C ATOM 2052 O ALA A 125 -2.588 20.779 -13.874 1.00 0.00 O ATOM 2053 CB ALA A 125 0.502 20.217 -15.445 1.00 0.00 C ATOM 0 H ALA A 125 1.384 19.945 -13.139 1.00 0.00 H new ATOM 0 HA ALA A 125 -0.379 21.835 -14.364 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -0.125 20.354 -16.326 1.00 0.00 H new ATOM 0 HB2 ALA A 125 1.444 20.748 -15.584 1.00 0.00 H new ATOM 0 HB3 ALA A 125 0.701 19.155 -15.303 1.00 0.00 H new ATOM 2059 N CYS A 126 -1.598 18.773 -14.120 1.00 0.00 N ATOM 2060 CA CYS A 126 -2.842 18.021 -13.972 1.00 0.00 C ATOM 2061 C CYS A 126 -3.230 17.904 -12.500 1.00 0.00 C ATOM 2062 O CYS A 126 -3.549 16.818 -12.015 1.00 0.00 O ATOM 2063 CB CYS A 126 -2.692 16.625 -14.583 1.00 0.00 C ATOM 2064 SG CYS A 126 -1.394 15.621 -13.822 1.00 0.00 S ATOM 0 H CYS A 126 -0.771 18.196 -14.271 1.00 0.00 H new ATOM 0 HA CYS A 126 -3.631 18.558 -14.498 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -3.642 16.098 -14.496 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -2.481 16.727 -15.647 1.00 0.00 H new ATOM 0 HG CYS A 126 -1.930 14.599 -13.224 1.00 0.00 H new ATOM 2069 N GLY A 127 -3.194 19.029 -11.791 1.00 0.00 N ATOM 2070 CA GLY A 127 -3.536 19.030 -10.384 1.00 0.00 C ATOM 2071 C GLY A 127 -2.349 19.374 -9.507 1.00 0.00 C ATOM 2072 O GLY A 127 -1.721 20.419 -9.681 1.00 0.00 O ATOM 0 H GLY A 127 -2.933 19.940 -12.169 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -4.337 19.748 -10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -3.920 18.049 -10.104 1.00 0.00 H new ATOM 2076 N ALA A 128 -2.039 18.491 -8.565 1.00 0.00 N ATOM 2077 CA ALA A 128 -0.919 18.699 -7.657 1.00 0.00 C ATOM 2078 C ALA A 128 -0.364 17.367 -7.168 1.00 0.00 C ATOM 2079 O ALA A 128 -1.091 16.377 -7.087 1.00 0.00 O ATOM 2080 CB ALA A 128 -1.346 19.562 -6.479 1.00 0.00 C ATOM 0 H ALA A 128 -2.550 17.622 -8.410 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.129 19.217 -8.201 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.499 19.709 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.692 20.529 -6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.154 19.067 -5.939 1.00 0.00 H new ATOM 2086 N LYS A 129 0.921 17.347 -6.831 1.00 0.00 N ATOM 2087 CA LYS A 129 1.558 16.132 -6.337 1.00 0.00 C ATOM 2088 C LYS A 129 2.747 16.471 -5.438 1.00 0.00 C ATOM 2089 O LYS A 129 3.410 17.491 -5.627 1.00 0.00 O ATOM 2090 CB LYS A 129 1.998 15.242 -7.501 1.00 0.00 C ATOM 2091 CG LYS A 129 0.950 14.230 -7.924 1.00 0.00 C ATOM 2092 CD LYS A 129 0.998 12.982 -7.059 1.00 0.00 C ATOM 2093 CE LYS A 129 0.057 13.079 -5.866 1.00 0.00 C ATOM 2094 NZ LYS A 129 -1.336 13.436 -6.265 1.00 0.00 N ATOM 0 H LYS A 129 1.540 18.155 -6.891 1.00 0.00 H new ATOM 0 HA LYS A 129 0.828 15.582 -5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 129 2.247 15.872 -8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 129 2.908 14.713 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -0.040 14.681 -7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.107 13.957 -8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.732 12.113 -7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 129 2.017 12.825 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 129 0.047 12.126 -5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 129 0.435 13.827 -5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -1.994 13.166 -5.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -1.398 14.461 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -1.587 12.930 -7.138 1.00 0.00 H new ATOM 2108 N ALA A 130 2.999 15.616 -4.452 1.00 0.00 N ATOM 2109 CA ALA A 130 4.096 15.828 -3.511 1.00 0.00 C ATOM 2110 C ALA A 130 5.427 15.309 -4.060 1.00 0.00 C ATOM 2111 O ALA A 130 5.603 14.103 -4.241 1.00 0.00 O ATOM 2112 CB ALA A 130 3.775 15.153 -2.185 1.00 0.00 C ATOM 0 H ALA A 130 2.458 14.768 -4.283 1.00 0.00 H new ATOM 0 HA ALA A 130 4.203 16.902 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.596 15.314 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 130 2.860 15.578 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.639 14.083 -2.345 1.00 0.00 H new ATOM 2118 N PRO A 131 6.389 16.214 -4.333 1.00 0.00 N ATOM 2119 CA PRO A 131 7.705 15.834 -4.860 1.00 0.00 C ATOM 2120 C PRO A 131 8.572 15.121 -3.822 1.00 0.00 C ATOM 2121 O PRO A 131 9.070 14.024 -4.074 1.00 0.00 O ATOM 2122 CB PRO A 131 8.326 17.171 -5.268 1.00 0.00 C ATOM 2123 CG PRO A 131 7.660 18.185 -4.406 1.00 0.00 C ATOM 2124 CD PRO A 131 6.267 17.673 -4.151 1.00 0.00 C ATOM 0 HA PRO A 131 7.624 15.123 -5.682 1.00 0.00 H new ATOM 0 HB2 PRO A 131 9.405 17.169 -5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 131 8.156 17.379 -6.325 1.00 0.00 H new ATOM 0 HG2 PRO A 131 8.203 18.317 -3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 131 7.633 19.157 -4.899 1.00 0.00 H new ATOM 0 HD2 PRO A 131 5.926 17.924 -3.146 1.00 0.00 H new ATOM 0 HD3 PRO A 131 5.548 18.104 -4.848 1.00 0.00 H new