USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 634 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 109 ASN :FLIP amide:sc= -1.88 F(o=-5.5!,f=-1.9) USER MOD Set 1.2: A 128 SER OG : rot 180:sc= -0.0218 USER MOD Set 2.1: A 98 HIS : no HE2:sc= -7.85! C(o=-5.6!,f=-15!) USER MOD Set 2.2: A 119 THR OG1 : rot 148:sc= 2.26 USER MOD Set 3.1: A 93 THR OG1 : rot 87:sc= -2.76! USER MOD Set 3.2: A 117 ASN :FLIP amide:sc= -8.85! C(o=-14!,f=-12!) USER MOD Set 4.1: A 65 ASN : amide:sc= 0.21 K(o=0.4,f=-1!) USER MOD Set 4.2: A 68 SER OG : rot 130:sc= 0.186 USER MOD Single : A 23 SER OG : rot 30:sc= -0.51 USER MOD Single : A 55 SER OG : rot -39:sc= 0.14 USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= -0.0501 (180deg=-0.277) USER MOD Single : A 74 GLN : amide:sc= 0.451 K(o=0.45,f=-3!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -3.78! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS :FLIP no HE2:sc= -4.88 F(o=-8.7!,f=-4.9) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 21:sc= 0.161 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0.367 K(o=0.37,f=-0.43) USER MOD Single : A 133 ASN : amide:sc= -0.46 K(o=-0.46,f=-1.6) USER MOD Single : A 138 GLN : amide:sc= -1.38 K(o=-1.4,f=-7.9!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= -0.0969 (180deg=-0.0969) USER MOD ----------------------------------------------------------------- ATOM 305 N SER A 23 12.639 -0.729 -1.551 1.00 0.00 N ATOM 306 CA SER A 23 12.365 0.606 -2.136 1.00 0.00 C ATOM 307 C SER A 23 11.342 1.489 -1.401 1.00 0.00 C ATOM 308 O SER A 23 10.173 1.152 -1.225 1.00 0.00 O ATOM 309 CB SER A 23 11.974 0.476 -3.590 1.00 0.00 C ATOM 310 OG SER A 23 12.989 -0.190 -4.332 1.00 0.00 O ATOM 0 HA SER A 23 13.312 1.134 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.038 -0.076 -3.671 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.798 1.465 -4.013 1.00 0.00 H new ATOM 0 HG SER A 23 13.459 -0.822 -3.749 1.00 0.00 H new ATOM 315 N VAL A 24 11.805 2.681 -1.073 1.00 0.00 N ATOM 316 CA VAL A 24 11.045 3.662 -0.317 1.00 0.00 C ATOM 317 C VAL A 24 10.655 4.864 -1.167 1.00 0.00 C ATOM 318 O VAL A 24 11.523 5.429 -1.836 1.00 0.00 O ATOM 319 CB VAL A 24 11.936 4.152 0.818 1.00 0.00 C ATOM 320 CG1 VAL A 24 11.484 5.495 1.378 1.00 0.00 C ATOM 321 CG2 VAL A 24 12.007 3.128 1.912 1.00 0.00 C ATOM 0 H VAL A 24 12.739 3.002 -1.329 1.00 0.00 H new ATOM 0 HA VAL A 24 10.129 3.193 0.042 1.00 0.00 H new ATOM 0 HB VAL A 24 12.931 4.298 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.153 5.797 2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.506 6.245 0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.469 5.405 1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.648 3.496 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.006 2.943 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.419 2.200 1.515 1.00 0.00 H new ATOM 331 N PHE A 25 9.372 5.278 -1.121 1.00 0.00 N ATOM 332 CA PHE A 25 8.956 6.515 -1.794 1.00 0.00 C ATOM 333 C PHE A 25 7.433 6.750 -1.707 1.00 0.00 C ATOM 334 O PHE A 25 6.731 5.987 -1.053 1.00 0.00 O ATOM 335 CB PHE A 25 9.399 6.460 -3.264 1.00 0.00 C ATOM 336 CG PHE A 25 9.438 7.785 -3.978 1.00 0.00 C ATOM 337 CD1 PHE A 25 10.365 8.755 -3.624 1.00 0.00 C ATOM 338 CD2 PHE A 25 8.552 8.057 -5.007 1.00 0.00 C ATOM 339 CE1 PHE A 25 10.405 9.970 -4.284 1.00 0.00 C ATOM 340 CE2 PHE A 25 8.587 9.268 -5.670 1.00 0.00 C ATOM 341 CZ PHE A 25 9.514 10.225 -5.309 1.00 0.00 C ATOM 0 H PHE A 25 8.624 4.783 -0.635 1.00 0.00 H new ATOM 0 HA PHE A 25 9.434 7.352 -1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.392 6.013 -3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.725 5.795 -3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.063 8.559 -2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.824 7.313 -5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.131 10.717 -3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.890 9.466 -6.470 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.543 11.172 -5.827 1.00 0.00 H new ATOM 350 N ARG A 26 6.958 7.845 -2.352 1.00 0.00 N ATOM 351 CA ARG A 26 5.519 8.158 -2.514 1.00 0.00 C ATOM 352 C ARG A 26 4.801 8.189 -1.157 1.00 0.00 C ATOM 353 O ARG A 26 5.428 8.424 -0.122 1.00 0.00 O ATOM 354 CB ARG A 26 4.867 7.119 -3.449 1.00 0.00 C ATOM 355 CG ARG A 26 3.989 7.683 -4.580 1.00 0.00 C ATOM 356 CD ARG A 26 2.806 8.494 -4.063 1.00 0.00 C ATOM 357 NE ARG A 26 1.708 8.595 -5.035 1.00 0.00 N ATOM 358 CZ ARG A 26 1.812 9.142 -6.254 1.00 0.00 C ATOM 359 NH1 ARG A 26 2.948 9.693 -6.664 1.00 0.00 N ATOM 360 NH2 ARG A 26 0.756 9.168 -7.054 1.00 0.00 N ATOM 0 H ARG A 26 7.570 8.541 -2.778 1.00 0.00 H new ATOM 0 HA ARG A 26 5.426 9.149 -2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.657 6.516 -3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.258 6.448 -2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.599 8.312 -5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.619 6.860 -5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.432 8.036 -3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.146 9.496 -3.803 1.00 0.00 H new ATOM 0 HE ARG A 26 0.799 8.221 -4.761 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.761 9.705 -6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.008 10.104 -7.595 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.131 8.773 -6.741 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.830 9.583 -7.983 1.00 0.00 H new ATOM 707 N SER A 55 -16.991 -11.068 -4.452 1.00 0.00 N ATOM 708 CA SER A 55 -15.758 -10.317 -4.285 1.00 0.00 C ATOM 709 C SER A 55 -15.992 -8.810 -4.247 1.00 0.00 C ATOM 710 O SER A 55 -16.819 -8.275 -4.984 1.00 0.00 O ATOM 711 CB SER A 55 -14.792 -10.655 -5.423 1.00 0.00 C ATOM 712 OG SER A 55 -15.405 -10.448 -6.689 1.00 0.00 O ATOM 0 HA SER A 55 -15.331 -10.605 -3.325 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.898 -10.036 -5.342 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.470 -11.693 -5.336 1.00 0.00 H new ATOM 0 HG SER A 55 -16.339 -10.743 -6.652 1.00 0.00 H new ATOM 717 N ALA A 56 -15.242 -8.151 -3.380 1.00 0.00 N ATOM 718 CA ALA A 56 -15.125 -6.700 -3.358 1.00 0.00 C ATOM 719 C ALA A 56 -13.639 -6.412 -3.450 1.00 0.00 C ATOM 720 O ALA A 56 -12.861 -7.364 -3.460 1.00 0.00 O ATOM 721 CB ALA A 56 -15.729 -6.128 -2.087 1.00 0.00 C ATOM 0 H ALA A 56 -14.688 -8.615 -2.660 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.668 -6.235 -4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -15.630 -5.043 -2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.784 -6.395 -2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.207 -6.535 -1.221 1.00 0.00 H new ATOM 727 N LEU A 57 -13.202 -5.172 -3.597 1.00 0.00 N ATOM 728 CA LEU A 57 -11.761 -4.964 -3.682 1.00 0.00 C ATOM 729 C LEU A 57 -11.300 -3.547 -3.392 1.00 0.00 C ATOM 730 O LEU A 57 -11.944 -2.560 -3.759 1.00 0.00 O ATOM 731 CB LEU A 57 -11.208 -5.423 -5.049 1.00 0.00 C ATOM 732 CG LEU A 57 -11.761 -4.719 -6.301 1.00 0.00 C ATOM 733 CD1 LEU A 57 -10.877 -5.016 -7.500 1.00 0.00 C ATOM 734 CD2 LEU A 57 -13.181 -5.162 -6.604 1.00 0.00 C ATOM 0 H LEU A 57 -13.783 -4.336 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.351 -5.583 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.126 -5.292 -5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.399 -6.491 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.768 -3.647 -6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.277 -4.513 -8.380 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.867 -4.657 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.852 -6.091 -7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.541 -4.646 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.197 -6.238 -6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.826 -4.921 -5.759 1.00 0.00 H new ATOM 745 N LEU A 58 -10.158 -3.485 -2.710 1.00 0.00 N ATOM 746 CA LEU A 58 -9.405 -2.239 -2.563 1.00 0.00 C ATOM 747 C LEU A 58 -8.509 -2.091 -3.771 1.00 0.00 C ATOM 748 O LEU A 58 -7.625 -2.914 -3.975 1.00 0.00 O ATOM 749 CB LEU A 58 -8.460 -2.250 -1.354 1.00 0.00 C ATOM 750 CG LEU A 58 -9.024 -2.574 0.024 1.00 0.00 C ATOM 751 CD1 LEU A 58 -9.392 -4.041 0.132 1.00 0.00 C ATOM 752 CD2 LEU A 58 -7.979 -2.224 1.066 1.00 0.00 C ATOM 0 H LEU A 58 -9.731 -4.288 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.135 -1.438 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.668 -2.969 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.991 -1.268 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.931 -1.992 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.792 -4.244 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.145 -4.284 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.505 -4.652 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.366 -2.450 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.077 -2.808 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.742 -1.162 1.001 1.00 0.00 H new ATOM 763 N VAL A 59 -8.708 -1.062 -4.557 1.00 0.00 N ATOM 764 CA VAL A 59 -7.900 -0.870 -5.745 1.00 0.00 C ATOM 765 C VAL A 59 -6.943 0.298 -5.536 1.00 0.00 C ATOM 766 O VAL A 59 -7.369 1.375 -5.118 1.00 0.00 O ATOM 767 CB VAL A 59 -8.790 -0.583 -6.979 1.00 0.00 C ATOM 768 CG1 VAL A 59 -7.951 -0.384 -8.233 1.00 0.00 C ATOM 769 CG2 VAL A 59 -9.802 -1.696 -7.184 1.00 0.00 C ATOM 0 H VAL A 59 -9.417 -0.346 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.336 -1.786 -5.923 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.331 0.344 -6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.606 -0.184 -9.081 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.276 0.460 -8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.369 -1.285 -8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.416 -1.473 -8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.279 -2.639 -7.340 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.439 -1.776 -6.303 1.00 0.00 H new ATOM 779 N VAL A 60 -5.655 0.096 -5.799 1.00 0.00 N ATOM 780 CA VAL A 60 -4.726 1.205 -5.767 1.00 0.00 C ATOM 781 C VAL A 60 -5.029 2.063 -6.988 1.00 0.00 C ATOM 782 O VAL A 60 -4.845 1.642 -8.142 1.00 0.00 O ATOM 783 CB VAL A 60 -3.223 0.763 -5.695 1.00 0.00 C ATOM 784 CG1 VAL A 60 -3.091 -0.617 -5.085 1.00 0.00 C ATOM 785 CG2 VAL A 60 -2.514 0.799 -7.025 1.00 0.00 C ATOM 0 H VAL A 60 -5.244 -0.808 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.864 1.777 -4.849 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.735 1.499 -5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.039 -0.899 -5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.501 -0.609 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.638 -1.337 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.480 0.480 -6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.015 0.128 -7.723 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.534 1.815 -7.420 1.00 0.00 H new ATOM 795 N LYS A 61 -5.585 3.240 -6.694 1.00 0.00 N ATOM 796 CA LYS A 61 -6.141 4.127 -7.701 1.00 0.00 C ATOM 797 C LYS A 61 -5.041 4.627 -8.618 1.00 0.00 C ATOM 798 O LYS A 61 -4.999 4.289 -9.797 1.00 0.00 O ATOM 799 CB LYS A 61 -6.843 5.311 -7.031 1.00 0.00 C ATOM 800 CG LYS A 61 -7.696 6.136 -7.975 1.00 0.00 C ATOM 801 CD LYS A 61 -8.962 5.388 -8.337 1.00 0.00 C ATOM 802 CE LYS A 61 -9.878 6.207 -9.232 1.00 0.00 C ATOM 803 NZ LYS A 61 -10.302 7.478 -8.590 1.00 0.00 N ATOM 0 H LYS A 61 -5.659 3.601 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.871 3.574 -8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.471 4.938 -6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.091 5.957 -6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.950 7.087 -7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.131 6.365 -8.879 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.701 4.458 -8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.495 5.117 -7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.365 6.428 -10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.760 5.617 -9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.098 7.886 -9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.598 7.290 -7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.507 8.148 -8.589 1.00 0.00 H new ATOM 813 N ARG A 62 -4.154 5.433 -8.056 1.00 0.00 N ATOM 814 CA ARG A 62 -2.987 5.913 -8.773 1.00 0.00 C ATOM 815 C ARG A 62 -1.813 6.037 -7.817 1.00 0.00 C ATOM 816 O ARG A 62 -1.920 6.663 -6.763 1.00 0.00 O ATOM 817 CB ARG A 62 -3.255 7.260 -9.457 1.00 0.00 C ATOM 818 CG ARG A 62 -4.259 7.182 -10.596 1.00 0.00 C ATOM 819 CD ARG A 62 -4.210 8.417 -11.482 1.00 0.00 C ATOM 820 NE ARG A 62 -4.515 9.649 -10.755 1.00 0.00 N ATOM 821 CZ ARG A 62 -3.760 10.746 -10.808 1.00 0.00 C ATOM 822 NH1 ARG A 62 -2.626 10.745 -11.497 1.00 0.00 N ATOM 823 NH2 ARG A 62 -4.135 11.843 -10.169 1.00 0.00 N ATOM 0 H ARG A 62 -4.223 5.770 -7.096 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.750 5.189 -9.553 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.619 7.969 -8.713 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.314 7.655 -9.841 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.057 6.296 -11.198 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.263 7.068 -10.187 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.219 8.500 -11.928 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.919 8.299 -12.301 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.353 9.670 -10.174 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.329 9.902 -11.989 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.051 11.587 -11.535 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.004 11.850 -9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.555 12.681 -10.211 1.00 0.00 H new ATOM 834 N GLY A 63 -0.718 5.390 -8.165 1.00 0.00 N ATOM 835 CA GLY A 63 0.494 5.505 -7.409 1.00 0.00 C ATOM 836 C GLY A 63 1.661 5.015 -8.227 1.00 0.00 C ATOM 837 O GLY A 63 1.713 5.258 -9.432 1.00 0.00 O ATOM 0 H GLY A 63 -0.653 4.775 -8.976 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.654 6.543 -7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.415 4.925 -6.489 1.00 0.00 H new ATOM 841 N PRO A 64 2.601 4.304 -7.610 1.00 0.00 N ATOM 842 CA PRO A 64 3.766 3.770 -8.304 1.00 0.00 C ATOM 843 C PRO A 64 3.399 2.695 -9.309 1.00 0.00 C ATOM 844 O PRO A 64 3.504 2.904 -10.517 1.00 0.00 O ATOM 845 CB PRO A 64 4.637 3.194 -7.186 1.00 0.00 C ATOM 846 CG PRO A 64 4.091 3.784 -5.943 1.00 0.00 C ATOM 847 CD PRO A 64 2.632 3.996 -6.189 1.00 0.00 C ATOM 0 HA PRO A 64 4.271 4.540 -8.887 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.585 2.105 -7.164 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.685 3.460 -7.324 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.250 3.119 -5.094 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.587 4.726 -5.708 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.046 3.108 -5.952 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.232 4.812 -5.587 1.00 0.00 H new ATOM 852 N ASN A 65 2.968 1.545 -8.809 1.00 0.00 N ATOM 853 CA ASN A 65 2.468 0.495 -9.685 1.00 0.00 C ATOM 854 C ASN A 65 1.160 0.961 -10.275 1.00 0.00 C ATOM 855 O ASN A 65 0.961 0.934 -11.492 1.00 0.00 O ATOM 856 CB ASN A 65 2.228 -0.802 -8.906 1.00 0.00 C ATOM 857 CG ASN A 65 2.189 -2.036 -9.785 1.00 0.00 C ATOM 858 OD1 ASN A 65 2.828 -2.091 -10.837 1.00 0.00 O ATOM 859 ND2 ASN A 65 1.437 -3.037 -9.352 1.00 0.00 N ATOM 0 H ASN A 65 2.954 1.317 -7.815 1.00 0.00 H new ATOM 0 HA ASN A 65 3.205 0.296 -10.464 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.015 -0.920 -8.162 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.286 -0.722 -8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.370 -3.897 -9.896 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.925 -2.948 -8.474 1.00 0.00 H new ATOM 865 N ALA A 66 0.311 1.454 -9.377 1.00 0.00 N ATOM 866 CA ALA A 66 -1.060 1.872 -9.708 1.00 0.00 C ATOM 867 C ALA A 66 -1.878 0.751 -10.367 1.00 0.00 C ATOM 868 O ALA A 66 -1.335 -0.183 -10.958 1.00 0.00 O ATOM 869 CB ALA A 66 -1.042 3.103 -10.602 1.00 0.00 C ATOM 0 H ALA A 66 0.550 1.578 -8.393 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.550 2.116 -8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.065 3.397 -10.836 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.538 3.920 -10.086 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.510 2.874 -11.525 1.00 0.00 H new ATOM 875 N GLY A 67 -3.195 0.833 -10.234 1.00 0.00 N ATOM 876 CA GLY A 67 -4.058 -0.122 -10.897 1.00 0.00 C ATOM 877 C GLY A 67 -4.185 -1.435 -10.147 1.00 0.00 C ATOM 878 O GLY A 67 -4.853 -2.356 -10.618 1.00 0.00 O ATOM 0 H GLY A 67 -3.679 1.541 -9.681 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.048 0.317 -11.019 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.671 -0.318 -11.897 1.00 0.00 H new ATOM 882 N SER A 68 -3.548 -1.538 -8.987 1.00 0.00 N ATOM 883 CA SER A 68 -3.509 -2.810 -8.267 1.00 0.00 C ATOM 884 C SER A 68 -4.741 -2.951 -7.373 1.00 0.00 C ATOM 885 O SER A 68 -5.568 -2.052 -7.342 1.00 0.00 O ATOM 886 CB SER A 68 -2.232 -2.900 -7.450 1.00 0.00 C ATOM 887 OG SER A 68 -1.111 -2.512 -8.224 1.00 0.00 O ATOM 0 H SER A 68 -3.058 -0.770 -8.528 1.00 0.00 H new ATOM 0 HA SER A 68 -3.518 -3.629 -8.986 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.312 -2.260 -6.571 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.096 -3.920 -7.091 1.00 0.00 H new ATOM 0 HG SER A 68 -0.584 -1.851 -7.728 1.00 0.00 H new ATOM 892 N ARG A 69 -4.872 -4.056 -6.635 1.00 0.00 N ATOM 893 CA ARG A 69 -6.114 -4.309 -5.898 1.00 0.00 C ATOM 894 C ARG A 69 -5.992 -5.495 -4.939 1.00 0.00 C ATOM 895 O ARG A 69 -5.255 -6.444 -5.214 1.00 0.00 O ATOM 896 CB ARG A 69 -7.272 -4.568 -6.880 1.00 0.00 C ATOM 897 CG ARG A 69 -7.297 -5.965 -7.498 1.00 0.00 C ATOM 898 CD ARG A 69 -6.080 -6.253 -8.367 1.00 0.00 C ATOM 899 NE ARG A 69 -5.407 -7.488 -7.963 1.00 0.00 N ATOM 900 CZ ARG A 69 -4.987 -8.425 -8.816 1.00 0.00 C ATOM 901 NH1 ARG A 69 -5.173 -8.278 -10.121 1.00 0.00 N ATOM 902 NH2 ARG A 69 -4.378 -9.515 -8.369 1.00 0.00 N ATOM 0 H ARG A 69 -4.154 -4.773 -6.532 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.316 -3.418 -5.304 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.214 -4.401 -6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.218 -3.833 -7.683 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.352 -6.708 -6.702 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.200 -6.074 -8.099 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.388 -6.330 -9.410 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.381 -5.419 -8.302 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.249 -7.643 -6.967 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.640 -7.445 -10.479 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.849 -8.998 -10.767 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.228 -9.641 -7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.060 -10.227 -9.026 1.00 0.00 H new ATOM 913 N PHE A 70 -6.745 -5.460 -3.834 1.00 0.00 N ATOM 914 CA PHE A 70 -6.841 -6.617 -2.968 1.00 0.00 C ATOM 915 C PHE A 70 -8.073 -7.382 -3.396 1.00 0.00 C ATOM 916 O PHE A 70 -9.179 -6.834 -3.352 1.00 0.00 O ATOM 917 CB PHE A 70 -7.015 -6.272 -1.469 1.00 0.00 C ATOM 918 CG PHE A 70 -5.969 -5.399 -0.828 1.00 0.00 C ATOM 919 CD1 PHE A 70 -5.086 -4.651 -1.575 1.00 0.00 C ATOM 920 CD2 PHE A 70 -5.897 -5.324 0.557 1.00 0.00 C ATOM 921 CE1 PHE A 70 -4.145 -3.851 -0.965 1.00 0.00 C ATOM 922 CE2 PHE A 70 -4.962 -4.520 1.176 1.00 0.00 C ATOM 923 CZ PHE A 70 -4.082 -3.780 0.412 1.00 0.00 C ATOM 0 H PHE A 70 -7.286 -4.651 -3.530 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.909 -7.175 -3.063 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.981 -5.783 -1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.059 -7.208 -0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.132 -4.692 -2.653 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.583 -5.903 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.455 -3.278 -1.566 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.919 -4.470 2.254 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.348 -3.148 0.890 1.00 0.00 H new ATOM 932 N LEU A 71 -7.888 -8.632 -3.798 1.00 0.00 N ATOM 933 CA LEU A 71 -8.967 -9.430 -4.327 1.00 0.00 C ATOM 934 C LEU A 71 -9.770 -9.989 -3.168 1.00 0.00 C ATOM 935 O LEU A 71 -9.470 -11.047 -2.637 1.00 0.00 O ATOM 936 CB LEU A 71 -8.387 -10.535 -5.228 1.00 0.00 C ATOM 937 CG LEU A 71 -9.375 -11.567 -5.785 1.00 0.00 C ATOM 938 CD1 LEU A 71 -9.396 -12.805 -4.896 1.00 0.00 C ATOM 939 CD2 LEU A 71 -10.764 -10.960 -5.954 1.00 0.00 C ATOM 0 H LEU A 71 -6.989 -9.112 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.638 -8.829 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.885 -10.058 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.623 -11.068 -4.662 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.043 -11.874 -6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.101 -13.531 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.400 -13.246 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.703 -12.524 -3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.445 -11.713 -6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.130 -10.613 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.712 -10.119 -6.645 1.00 0.00 H new ATOM 950 N LEU A 72 -10.787 -9.272 -2.759 1.00 0.00 N ATOM 951 CA LEU A 72 -11.545 -9.686 -1.600 1.00 0.00 C ATOM 952 C LEU A 72 -12.590 -10.722 -2.001 1.00 0.00 C ATOM 953 O LEU A 72 -13.778 -10.572 -1.717 1.00 0.00 O ATOM 954 CB LEU A 72 -12.215 -8.487 -0.924 1.00 0.00 C ATOM 955 CG LEU A 72 -11.391 -7.196 -0.894 1.00 0.00 C ATOM 956 CD1 LEU A 72 -12.109 -6.124 -0.106 1.00 0.00 C ATOM 957 CD2 LEU A 72 -10.013 -7.433 -0.319 1.00 0.00 C ATOM 0 H LEU A 72 -11.107 -8.411 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.857 -10.135 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.156 -8.284 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.462 -8.763 0.101 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.273 -6.857 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.508 -5.215 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.073 -5.916 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.264 -6.467 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.455 -6.496 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.104 -7.808 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.485 -8.165 -0.930 1.00 0.00 H new ATOM 968 N ASP A 73 -12.127 -11.756 -2.687 1.00 0.00 N ATOM 969 CA ASP A 73 -12.982 -12.846 -3.129 1.00 0.00 C ATOM 970 C ASP A 73 -12.902 -13.987 -2.138 1.00 0.00 C ATOM 971 O ASP A 73 -13.897 -14.646 -1.837 1.00 0.00 O ATOM 972 CB ASP A 73 -12.525 -13.363 -4.500 1.00 0.00 C ATOM 973 CG ASP A 73 -13.506 -14.330 -5.130 1.00 0.00 C ATOM 974 OD1 ASP A 73 -14.434 -13.878 -5.829 1.00 0.00 O ATOM 975 OD2 ASP A 73 -13.336 -15.555 -4.946 1.00 0.00 O ATOM 0 H ASP A 73 -11.148 -11.863 -2.953 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.004 -12.474 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.378 -12.516 -5.170 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.558 -13.855 -4.392 1.00 0.00 H new ATOM 979 N GLN A 74 -11.702 -14.201 -1.620 1.00 0.00 N ATOM 980 CA GLN A 74 -11.440 -15.355 -0.772 1.00 0.00 C ATOM 981 C GLN A 74 -11.547 -14.978 0.704 1.00 0.00 C ATOM 982 O GLN A 74 -12.105 -13.941 1.041 1.00 0.00 O ATOM 983 CB GLN A 74 -10.060 -15.943 -1.073 1.00 0.00 C ATOM 984 CG GLN A 74 -8.910 -15.089 -0.571 1.00 0.00 C ATOM 985 CD GLN A 74 -7.686 -15.918 -0.267 1.00 0.00 C ATOM 986 OE1 GLN A 74 -7.590 -16.516 0.803 1.00 0.00 O ATOM 987 NE2 GLN A 74 -6.724 -15.922 -1.168 1.00 0.00 N ATOM 0 H GLN A 74 -10.897 -13.594 -1.771 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.194 -16.112 -0.988 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.990 -16.933 -0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.959 -16.076 -2.150 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.662 -14.337 -1.320 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.219 -14.555 0.327 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.843 -15.413 -2.044 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.860 -16.434 -0.990 1.00 0.00 H new ATOM 994 N ALA A 75 -11.063 -15.848 1.582 1.00 0.00 N ATOM 995 CA ALA A 75 -11.021 -15.551 3.006 1.00 0.00 C ATOM 996 C ALA A 75 -10.026 -14.435 3.321 1.00 0.00 C ATOM 997 O ALA A 75 -10.378 -13.457 3.982 1.00 0.00 O ATOM 998 CB ALA A 75 -10.678 -16.801 3.798 1.00 0.00 C ATOM 0 H ALA A 75 -10.694 -16.765 1.331 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.012 -15.204 3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.651 -16.562 4.861 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.434 -17.565 3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.703 -17.174 3.485 1.00 0.00 H new ATOM 1004 N ILE A 76 -8.786 -14.572 2.856 1.00 0.00 N ATOM 1005 CA ILE A 76 -7.766 -13.579 3.168 1.00 0.00 C ATOM 1006 C ILE A 76 -6.663 -13.521 2.113 1.00 0.00 C ATOM 1007 O ILE A 76 -6.004 -14.517 1.812 1.00 0.00 O ATOM 1008 CB ILE A 76 -7.200 -13.795 4.604 1.00 0.00 C ATOM 1009 CG1 ILE A 76 -5.966 -12.918 4.894 1.00 0.00 C ATOM 1010 CG2 ILE A 76 -6.887 -15.259 4.849 1.00 0.00 C ATOM 1011 CD1 ILE A 76 -4.640 -13.509 4.436 1.00 0.00 C ATOM 0 H ILE A 76 -8.469 -15.346 2.273 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.248 -12.601 3.147 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.981 -13.483 5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.103 -11.951 4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.914 -12.733 5.967 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.494 -15.383 5.858 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.797 -15.849 4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.145 -15.598 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.831 -12.822 4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.473 -14.461 4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.665 -13.668 3.358 1.00 0.00 H new ATOM 1022 N THR A 77 -6.470 -12.330 1.557 1.00 0.00 N ATOM 1023 CA THR A 77 -5.496 -12.117 0.497 1.00 0.00 C ATOM 1024 C THR A 77 -4.245 -11.420 1.019 1.00 0.00 C ATOM 1025 O THR A 77 -4.334 -10.487 1.812 1.00 0.00 O ATOM 1026 CB THR A 77 -6.088 -11.268 -0.634 1.00 0.00 C ATOM 1027 OG1 THR A 77 -6.559 -10.014 -0.142 1.00 0.00 O ATOM 1028 CG2 THR A 77 -7.220 -12.006 -1.306 1.00 0.00 C ATOM 0 H THR A 77 -6.982 -11.490 1.828 1.00 0.00 H new ATOM 0 HA THR A 77 -5.228 -13.103 0.117 1.00 0.00 H new ATOM 0 HB THR A 77 -5.297 -11.081 -1.360 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.930 -9.491 -0.883 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.631 -11.391 -2.107 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.848 -12.942 -1.722 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.000 -12.218 -0.575 1.00 0.00 H new ATOM 1036 N SER A 78 -3.083 -11.860 0.564 1.00 0.00 N ATOM 1037 CA SER A 78 -1.826 -11.228 0.951 1.00 0.00 C ATOM 1038 C SER A 78 -1.573 -9.986 0.090 1.00 0.00 C ATOM 1039 O SER A 78 -1.524 -10.093 -1.135 1.00 0.00 O ATOM 1040 CB SER A 78 -0.690 -12.237 0.787 1.00 0.00 C ATOM 1041 OG SER A 78 -0.925 -13.397 1.572 1.00 0.00 O ATOM 0 H SER A 78 -2.981 -12.650 -0.073 1.00 0.00 H new ATOM 0 HA SER A 78 -1.878 -10.913 1.993 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.595 -12.516 -0.262 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.254 -11.779 1.082 1.00 0.00 H new ATOM 0 HG SER A 78 -0.186 -14.030 1.450 1.00 0.00 H new ATOM 1046 N ALA A 79 -1.364 -8.822 0.733 1.00 0.00 N ATOM 1047 CA ALA A 79 -1.287 -7.539 0.019 1.00 0.00 C ATOM 1048 C ALA A 79 0.029 -6.799 0.235 1.00 0.00 C ATOM 1049 O ALA A 79 0.314 -6.351 1.343 1.00 0.00 O ATOM 1050 CB ALA A 79 -2.422 -6.645 0.474 1.00 0.00 C ATOM 0 H ALA A 79 -1.246 -8.746 1.743 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.357 -7.771 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.369 -5.692 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.375 -7.127 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.340 -6.471 1.547 1.00 0.00 H new ATOM 1056 N GLY A 80 0.815 -6.638 -0.827 1.00 0.00 N ATOM 1057 CA GLY A 80 2.048 -5.897 -0.735 1.00 0.00 C ATOM 1058 C GLY A 80 3.044 -6.381 -1.755 1.00 0.00 C ATOM 1059 O GLY A 80 2.679 -6.693 -2.887 1.00 0.00 O ATOM 0 H GLY A 80 0.612 -7.013 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.851 -4.836 -0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.466 -6.002 0.266 1.00 0.00 H new ATOM 1063 N ARG A 81 4.294 -6.458 -1.355 1.00 0.00 N ATOM 1064 CA ARG A 81 5.318 -7.057 -2.180 1.00 0.00 C ATOM 1065 C ARG A 81 5.093 -8.556 -2.239 1.00 0.00 C ATOM 1066 O ARG A 81 5.333 -9.275 -1.270 1.00 0.00 O ATOM 1067 CB ARG A 81 6.689 -6.689 -1.616 1.00 0.00 C ATOM 1068 CG ARG A 81 7.853 -7.512 -2.151 1.00 0.00 C ATOM 1069 CD ARG A 81 8.131 -8.756 -1.318 1.00 0.00 C ATOM 1070 NE ARG A 81 8.967 -8.471 -0.157 1.00 0.00 N ATOM 1071 CZ ARG A 81 9.961 -9.272 0.227 1.00 0.00 C ATOM 1072 NH1 ARG A 81 10.266 -10.338 -0.504 1.00 0.00 N ATOM 1073 NH2 ARG A 81 10.656 -9.001 1.322 1.00 0.00 N ATOM 0 H ARG A 81 4.627 -6.110 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 81 5.272 -6.680 -3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.881 -5.637 -1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.658 -6.795 -0.532 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.640 -7.809 -3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.748 -6.891 -2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.186 -9.186 -0.986 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.621 -9.505 -1.940 1.00 0.00 H new ATOM 0 HE ARG A 81 8.784 -7.625 0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.741 -10.540 -1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.026 -10.954 -0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.432 -8.175 1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.415 -9.618 1.610 1.00 0.00 H new ATOM 1084 N HIS A 82 4.572 -9.022 -3.354 1.00 0.00 N ATOM 1085 CA HIS A 82 4.176 -10.405 -3.449 1.00 0.00 C ATOM 1086 C HIS A 82 4.524 -11.027 -4.787 1.00 0.00 C ATOM 1087 O HIS A 82 3.998 -10.624 -5.823 1.00 0.00 O ATOM 1088 CB HIS A 82 2.683 -10.536 -3.204 1.00 0.00 C ATOM 1089 CG HIS A 82 2.326 -10.345 -1.781 1.00 0.00 C ATOM 1090 ND1 HIS A 82 1.394 -9.575 -1.208 1.00 0.00 N flip ATOM 1091 CD2 HIS A 82 2.947 -11.017 -0.761 1.00 0.00 C flip ATOM 1092 CE1 HIS A 82 1.453 -9.794 0.142 1.00 0.00 C flip ATOM 1093 NE2 HIS A 82 2.396 -10.675 0.379 1.00 0.00 N flip ATOM 0 H HIS A 82 4.415 -8.469 -4.197 1.00 0.00 H new ATOM 0 HA HIS A 82 4.735 -10.945 -2.684 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.152 -9.802 -3.811 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.349 -11.521 -3.531 1.00 0.00 H new ATOM 0 HD1 HIS A 82 0.756 -8.941 -1.689 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.761 -11.717 -0.877 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.829 -9.322 0.886 1.00 0.00 H new ATOM 1133 N ASP A 86 -2.178 -12.641 -3.663 1.00 0.00 N ATOM 1134 CA ASP A 86 -3.403 -12.118 -4.263 1.00 0.00 C ATOM 1135 C ASP A 86 -3.218 -10.675 -4.738 1.00 0.00 C ATOM 1136 O ASP A 86 -3.661 -10.301 -5.826 1.00 0.00 O ATOM 1137 CB ASP A 86 -4.529 -12.196 -3.228 1.00 0.00 C ATOM 1138 CG ASP A 86 -4.634 -13.580 -2.619 1.00 0.00 C ATOM 1139 OD1 ASP A 86 -5.343 -14.437 -3.189 1.00 0.00 O ATOM 1140 OD2 ASP A 86 -4.003 -13.807 -1.562 1.00 0.00 O ATOM 0 HA ASP A 86 -3.655 -12.719 -5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.351 -11.464 -2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.476 -11.933 -3.699 1.00 0.00 H new ATOM 1144 N ILE A 87 -2.555 -9.869 -3.918 1.00 0.00 N ATOM 1145 CA ILE A 87 -2.359 -8.454 -4.216 1.00 0.00 C ATOM 1146 C ILE A 87 -0.870 -8.074 -4.147 1.00 0.00 C ATOM 1147 O ILE A 87 -0.272 -7.998 -3.074 1.00 0.00 O ATOM 1148 CB ILE A 87 -3.239 -7.567 -3.281 1.00 0.00 C ATOM 1149 CG1 ILE A 87 -2.588 -6.228 -2.942 1.00 0.00 C ATOM 1150 CG2 ILE A 87 -3.621 -8.293 -2.015 1.00 0.00 C ATOM 1151 CD1 ILE A 87 -2.808 -5.170 -3.990 1.00 0.00 C ATOM 0 H ILE A 87 -2.142 -10.173 -3.036 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.685 -8.268 -5.239 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.145 -7.355 -3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.982 -5.872 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.517 -6.378 -2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.233 -7.641 -1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.187 -9.190 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.719 -8.574 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.318 -4.246 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.389 -5.505 -4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.877 -4.992 -4.108 1.00 0.00 H new ATOM 1162 N PHE A 88 -0.277 -7.887 -5.323 1.00 0.00 N ATOM 1163 CA PHE A 88 1.120 -7.463 -5.457 1.00 0.00 C ATOM 1164 C PHE A 88 1.200 -5.993 -5.838 1.00 0.00 C ATOM 1165 O PHE A 88 0.484 -5.527 -6.723 1.00 0.00 O ATOM 1166 CB PHE A 88 1.856 -8.293 -6.518 1.00 0.00 C ATOM 1167 CG PHE A 88 0.965 -9.082 -7.436 1.00 0.00 C ATOM 1168 CD1 PHE A 88 0.065 -8.450 -8.285 1.00 0.00 C ATOM 1169 CD2 PHE A 88 1.039 -10.465 -7.456 1.00 0.00 C ATOM 1170 CE1 PHE A 88 -0.744 -9.184 -9.128 1.00 0.00 C ATOM 1171 CE2 PHE A 88 0.232 -11.204 -8.298 1.00 0.00 C ATOM 1172 CZ PHE A 88 -0.661 -10.563 -9.135 1.00 0.00 C ATOM 0 H PHE A 88 -0.751 -8.025 -6.216 1.00 0.00 H new ATOM 0 HA PHE A 88 1.599 -7.619 -4.490 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.471 -7.624 -7.119 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.534 -8.981 -6.014 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.002 -7.372 -8.285 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.736 -10.971 -6.805 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.441 -8.681 -9.782 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.299 -12.282 -8.302 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.293 -11.139 -9.794 1.00 0.00 H new ATOM 1181 N LEU A 89 2.075 -5.270 -5.164 1.00 0.00 N ATOM 1182 CA LEU A 89 2.255 -3.852 -5.416 1.00 0.00 C ATOM 1183 C LEU A 89 3.671 -3.564 -5.878 1.00 0.00 C ATOM 1184 O LEU A 89 4.502 -3.119 -5.086 1.00 0.00 O ATOM 1185 CB LEU A 89 1.964 -3.040 -4.156 1.00 0.00 C ATOM 1186 CG LEU A 89 0.517 -3.040 -3.690 1.00 0.00 C ATOM 1187 CD1 LEU A 89 -0.416 -2.829 -4.857 1.00 0.00 C ATOM 1188 CD2 LEU A 89 0.189 -4.313 -2.938 1.00 0.00 C ATOM 0 H LEU A 89 2.677 -5.646 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 89 1.556 -3.563 -6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.587 -3.423 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.269 -2.009 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 89 0.378 -2.209 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.447 -2.832 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.197 -1.871 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.279 -3.631 -5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.852 -4.287 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.346 -5.172 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.837 -4.397 -2.066 1.00 0.00 H new ATOM 1199 N ASP A 90 3.951 -3.866 -7.147 1.00 0.00 N ATOM 1200 CA ASP A 90 5.270 -3.623 -7.761 1.00 0.00 C ATOM 1201 C ASP A 90 6.343 -4.533 -7.152 1.00 0.00 C ATOM 1202 O ASP A 90 7.412 -4.743 -7.729 1.00 0.00 O ATOM 1203 CB ASP A 90 5.661 -2.143 -7.636 1.00 0.00 C ATOM 1204 CG ASP A 90 6.894 -1.782 -8.442 1.00 0.00 C ATOM 1205 OD1 ASP A 90 6.979 -2.184 -9.625 1.00 0.00 O ATOM 1206 OD2 ASP A 90 7.763 -1.062 -7.915 1.00 0.00 O ATOM 0 H ASP A 90 3.274 -4.286 -7.783 1.00 0.00 H new ATOM 0 HA ASP A 90 5.199 -3.866 -8.821 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.826 -1.524 -7.964 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.839 -1.908 -6.587 1.00 0.00 H new ATOM 1210 N ASP A 91 6.023 -5.065 -5.978 1.00 0.00 N ATOM 1211 CA ASP A 91 6.819 -6.078 -5.299 1.00 0.00 C ATOM 1212 C ASP A 91 8.175 -5.514 -4.842 1.00 0.00 C ATOM 1213 O ASP A 91 9.142 -6.244 -4.645 1.00 0.00 O ATOM 1214 CB ASP A 91 6.965 -7.305 -6.214 1.00 0.00 C ATOM 1215 CG ASP A 91 7.794 -8.433 -5.625 1.00 0.00 C ATOM 1216 OD1 ASP A 91 7.316 -9.105 -4.695 1.00 0.00 O ATOM 1217 OD2 ASP A 91 8.927 -8.654 -6.107 1.00 0.00 O ATOM 0 H ASP A 91 5.185 -4.798 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 91 6.307 -6.393 -4.389 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.972 -7.686 -6.451 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.418 -6.990 -7.154 1.00 0.00 H new ATOM 1221 N VAL A 92 8.235 -4.200 -4.659 1.00 0.00 N ATOM 1222 CA VAL A 92 9.417 -3.576 -4.078 1.00 0.00 C ATOM 1223 C VAL A 92 9.063 -2.229 -3.443 1.00 0.00 C ATOM 1224 O VAL A 92 9.630 -1.192 -3.753 1.00 0.00 O ATOM 1225 CB VAL A 92 10.569 -3.434 -5.108 1.00 0.00 C ATOM 1226 CG1 VAL A 92 10.213 -2.487 -6.246 1.00 0.00 C ATOM 1227 CG2 VAL A 92 11.869 -3.020 -4.419 1.00 0.00 C ATOM 0 H VAL A 92 7.486 -3.551 -4.902 1.00 0.00 H new ATOM 0 HA VAL A 92 9.782 -4.236 -3.291 1.00 0.00 H new ATOM 0 HB VAL A 92 10.723 -4.415 -5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 92 11.051 -2.421 -6.940 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.335 -2.863 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 92 9.998 -1.498 -5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.661 -2.927 -5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.727 -2.062 -3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.148 -3.775 -3.684 1.00 0.00 H new ATOM 1237 N THR A 93 8.073 -2.251 -2.569 1.00 0.00 N ATOM 1238 CA THR A 93 7.743 -1.079 -1.775 1.00 0.00 C ATOM 1239 C THR A 93 7.097 -1.502 -0.457 1.00 0.00 C ATOM 1240 O THR A 93 6.747 -0.668 0.385 1.00 0.00 O ATOM 1241 CB THR A 93 6.813 -0.087 -2.534 1.00 0.00 C ATOM 1242 OG1 THR A 93 5.627 0.170 -1.779 1.00 0.00 O ATOM 1243 CG2 THR A 93 6.418 -0.590 -3.922 1.00 0.00 C ATOM 0 H THR A 93 7.484 -3.065 -2.391 1.00 0.00 H new ATOM 0 HA THR A 93 8.677 -0.554 -1.574 1.00 0.00 H new ATOM 0 HB THR A 93 7.387 0.831 -2.659 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.790 0.907 -1.154 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.770 0.142 -4.404 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.314 -0.734 -4.526 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.888 -1.538 -3.828 1.00 0.00 H new ATOM 1251 N VAL A 94 6.955 -2.807 -0.270 1.00 0.00 N ATOM 1252 CA VAL A 94 6.228 -3.332 0.875 1.00 0.00 C ATOM 1253 C VAL A 94 6.975 -4.516 1.475 1.00 0.00 C ATOM 1254 O VAL A 94 7.514 -5.337 0.740 1.00 0.00 O ATOM 1255 CB VAL A 94 4.811 -3.806 0.476 1.00 0.00 C ATOM 1256 CG1 VAL A 94 3.875 -3.754 1.669 1.00 0.00 C ATOM 1257 CG2 VAL A 94 4.251 -3.005 -0.695 1.00 0.00 C ATOM 0 H VAL A 94 7.333 -3.519 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 94 6.145 -2.525 1.603 1.00 0.00 H new ATOM 0 HB VAL A 94 4.892 -4.841 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.883 -4.091 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.255 -4.403 2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.814 -2.731 2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.254 -3.371 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.193 -1.952 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.905 -3.119 -1.560 1.00 0.00 H new ATOM 1267 N SER A 95 6.998 -4.609 2.798 1.00 0.00 N ATOM 1268 CA SER A 95 7.638 -5.729 3.475 1.00 0.00 C ATOM 1269 C SER A 95 6.786 -6.986 3.336 1.00 0.00 C ATOM 1270 O SER A 95 6.135 -7.416 4.291 1.00 0.00 O ATOM 1271 CB SER A 95 7.851 -5.386 4.948 1.00 0.00 C ATOM 1272 OG SER A 95 8.519 -4.143 5.077 1.00 0.00 O ATOM 0 H SER A 95 6.580 -3.921 3.425 1.00 0.00 H new ATOM 0 HA SER A 95 8.607 -5.920 3.014 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.890 -5.344 5.460 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.435 -6.171 5.429 1.00 0.00 H new ATOM 0 HG SER A 95 8.646 -3.937 6.027 1.00 0.00 H new ATOM 1277 N ARG A 96 6.803 -7.558 2.129 1.00 0.00 N ATOM 1278 CA ARG A 96 5.944 -8.674 1.764 1.00 0.00 C ATOM 1279 C ARG A 96 4.483 -8.228 1.731 1.00 0.00 C ATOM 1280 O ARG A 96 3.868 -8.177 0.678 1.00 0.00 O ATOM 1281 CB ARG A 96 6.137 -9.864 2.703 1.00 0.00 C ATOM 1282 CG ARG A 96 5.749 -11.182 2.064 1.00 0.00 C ATOM 1283 CD ARG A 96 4.468 -11.748 2.633 1.00 0.00 C ATOM 1284 NE ARG A 96 3.994 -12.884 1.860 1.00 0.00 N ATOM 1285 CZ ARG A 96 3.753 -14.087 2.390 1.00 0.00 C ATOM 1286 NH1 ARG A 96 4.087 -14.333 3.652 1.00 0.00 N ATOM 1287 NH2 ARG A 96 3.226 -15.056 1.651 1.00 0.00 N ATOM 0 H ARG A 96 7.420 -7.253 1.376 1.00 0.00 H new ATOM 0 HA ARG A 96 6.227 -9.006 0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.180 -9.910 3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.541 -9.712 3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.634 -11.041 0.989 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.555 -11.902 2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.632 -12.054 3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.702 -10.973 2.648 1.00 0.00 H new ATOM 0 HE ARG A 96 3.837 -12.756 0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.526 -13.604 4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.904 -15.250 4.058 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.002 -14.885 0.671 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.045 -15.971 2.064 1.00 0.00 H new ATOM 1298 N ARG A 97 3.930 -7.883 2.870 1.00 0.00 N ATOM 1299 CA ARG A 97 2.561 -7.396 2.909 1.00 0.00 C ATOM 1300 C ARG A 97 2.436 -6.243 3.879 1.00 0.00 C ATOM 1301 O ARG A 97 3.105 -6.197 4.905 1.00 0.00 O ATOM 1302 CB ARG A 97 1.583 -8.516 3.308 1.00 0.00 C ATOM 1303 CG ARG A 97 1.594 -8.851 4.794 1.00 0.00 C ATOM 1304 CD ARG A 97 2.478 -10.043 5.122 1.00 0.00 C ATOM 1305 NE ARG A 97 1.689 -11.263 5.273 1.00 0.00 N ATOM 1306 CZ ARG A 97 2.110 -12.363 5.892 1.00 0.00 C ATOM 1307 NH1 ARG A 97 3.360 -12.455 6.328 1.00 0.00 N ATOM 1308 NH2 ARG A 97 1.276 -13.378 6.062 1.00 0.00 N ATOM 0 H ARG A 97 4.397 -7.928 3.776 1.00 0.00 H new ATOM 0 HA ARG A 97 2.304 -7.052 1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.574 -8.222 3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.827 -9.415 2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.940 -7.983 5.355 1.00 0.00 H new ATOM 0 HG3 ARG A 97 0.576 -9.058 5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.216 -10.180 4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.029 -9.848 6.042 1.00 0.00 H new ATOM 0 HE ARG A 97 0.749 -11.272 4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.007 -11.679 6.190 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.674 -13.302 6.801 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.318 -13.313 5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.592 -14.224 6.536 1.00 0.00 H new ATOM 1319 N HIS A 98 1.592 -5.296 3.517 1.00 0.00 N ATOM 1320 CA HIS A 98 1.212 -4.229 4.423 1.00 0.00 C ATOM 1321 C HIS A 98 0.018 -4.697 5.198 1.00 0.00 C ATOM 1322 O HIS A 98 -0.104 -4.475 6.396 1.00 0.00 O ATOM 1323 CB HIS A 98 0.886 -2.940 3.637 1.00 0.00 C ATOM 1324 CG HIS A 98 -0.550 -2.471 3.748 1.00 0.00 C ATOM 1325 ND1 HIS A 98 -0.947 -1.533 4.668 1.00 0.00 N ATOM 1326 CD2 HIS A 98 -1.682 -2.814 3.057 1.00 0.00 C ATOM 1327 CE1 HIS A 98 -2.242 -1.319 4.555 1.00 0.00 C ATOM 1328 NE2 HIS A 98 -2.713 -2.079 3.587 1.00 0.00 N ATOM 0 H HIS A 98 1.154 -5.244 2.597 1.00 0.00 H new ATOM 0 HA HIS A 98 2.033 -3.994 5.101 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.541 -2.143 3.987 1.00 0.00 H new ATOM 0 HB3 HIS A 98 1.119 -3.105 2.585 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -0.332 -1.071 5.338 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -1.750 -3.527 2.249 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.822 -0.634 5.156 1.00 0.00 H new ATOM 1336 N ALA A 99 -0.858 -5.343 4.470 1.00 0.00 N ATOM 1337 CA ALA A 99 -2.040 -5.892 5.029 1.00 0.00 C ATOM 1338 C ALA A 99 -2.375 -7.166 4.327 1.00 0.00 C ATOM 1339 O ALA A 99 -1.807 -7.487 3.285 1.00 0.00 O ATOM 1340 CB ALA A 99 -3.206 -4.918 4.941 1.00 0.00 C ATOM 0 H ALA A 99 -0.758 -5.497 3.467 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.860 -6.091 6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.094 -5.373 5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.960 -4.006 5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.400 -4.676 3.896 1.00 0.00 H new ATOM 1346 N GLU A 100 -3.248 -7.901 4.928 1.00 0.00 N ATOM 1347 CA GLU A 100 -3.866 -9.015 4.275 1.00 0.00 C ATOM 1348 C GLU A 100 -5.350 -8.928 4.522 1.00 0.00 C ATOM 1349 O GLU A 100 -5.787 -8.744 5.661 1.00 0.00 O ATOM 1350 CB GLU A 100 -3.247 -10.332 4.754 1.00 0.00 C ATOM 1351 CG GLU A 100 -3.083 -10.433 6.260 1.00 0.00 C ATOM 1352 CD GLU A 100 -2.549 -11.781 6.682 1.00 0.00 C ATOM 1353 OE1 GLU A 100 -1.370 -12.081 6.394 1.00 0.00 O ATOM 1354 OE2 GLU A 100 -3.310 -12.557 7.290 1.00 0.00 O ATOM 0 H GLU A 100 -3.557 -7.750 5.888 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.694 -8.988 3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.870 -11.158 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.271 -10.453 4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.406 -9.651 6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.045 -10.257 6.742 1.00 0.00 H new ATOM 1359 N PHE A 101 -6.102 -8.977 3.431 1.00 0.00 N ATOM 1360 CA PHE A 101 -7.530 -8.788 3.466 1.00 0.00 C ATOM 1361 C PHE A 101 -8.129 -9.818 4.377 1.00 0.00 C ATOM 1362 O PHE A 101 -8.273 -10.982 4.031 1.00 0.00 O ATOM 1363 CB PHE A 101 -8.112 -8.848 2.044 1.00 0.00 C ATOM 1364 CG PHE A 101 -9.404 -9.611 1.922 1.00 0.00 C ATOM 1365 CD1 PHE A 101 -10.545 -9.207 2.594 1.00 0.00 C ATOM 1366 CD2 PHE A 101 -9.463 -10.744 1.132 1.00 0.00 C ATOM 1367 CE1 PHE A 101 -11.716 -9.921 2.478 1.00 0.00 C ATOM 1368 CE2 PHE A 101 -10.631 -11.458 1.013 1.00 0.00 C ATOM 1369 CZ PHE A 101 -11.760 -11.047 1.686 1.00 0.00 C ATOM 0 H PHE A 101 -5.729 -9.150 2.497 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.775 -7.802 3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.273 -7.830 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.374 -9.303 1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.516 -8.324 3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.581 -11.072 0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.600 -9.598 3.008 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -10.664 -12.341 0.392 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.679 -11.607 1.593 1.00 0.00 H new ATOM 1378 N ARG A 102 -8.428 -9.387 5.562 1.00 0.00 N ATOM 1379 CA ARG A 102 -8.897 -10.284 6.551 1.00 0.00 C ATOM 1380 C ARG A 102 -10.417 -10.288 6.561 1.00 0.00 C ATOM 1381 O ARG A 102 -11.034 -9.366 7.095 1.00 0.00 O ATOM 1382 CB ARG A 102 -8.366 -9.873 7.918 1.00 0.00 C ATOM 1383 CG ARG A 102 -8.611 -10.910 8.991 1.00 0.00 C ATOM 1384 CD ARG A 102 -7.793 -12.157 8.728 1.00 0.00 C ATOM 1385 NE ARG A 102 -6.358 -11.872 8.725 1.00 0.00 N ATOM 1386 CZ ARG A 102 -5.569 -12.086 9.780 1.00 0.00 C ATOM 1387 NH1 ARG A 102 -6.093 -12.457 10.943 1.00 0.00 N ATOM 1388 NH2 ARG A 102 -4.260 -11.918 9.681 1.00 0.00 N ATOM 0 H ARG A 102 -8.353 -8.415 5.861 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.540 -11.288 6.322 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.295 -9.684 7.842 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.835 -8.935 8.215 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.352 -10.499 9.967 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.670 -11.164 9.023 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.014 -12.905 9.490 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.081 -12.585 7.768 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.940 -11.491 7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.102 -12.579 11.032 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.487 -12.620 11.747 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.849 -11.623 8.795 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.662 -12.083 10.491 1.00 0.00 H new ATOM 1399 N LEU A 103 -11.032 -11.284 5.946 1.00 0.00 N ATOM 1400 CA LEU A 103 -12.475 -11.380 6.008 1.00 0.00 C ATOM 1401 C LEU A 103 -12.876 -11.979 7.341 1.00 0.00 C ATOM 1402 O LEU A 103 -12.724 -13.179 7.579 1.00 0.00 O ATOM 1403 CB LEU A 103 -13.052 -12.192 4.846 1.00 0.00 C ATOM 1404 CG LEU A 103 -14.582 -12.096 4.673 1.00 0.00 C ATOM 1405 CD1 LEU A 103 -14.976 -12.423 3.242 1.00 0.00 C ATOM 1406 CD2 LEU A 103 -15.301 -13.024 5.631 1.00 0.00 C ATOM 0 H LEU A 103 -10.567 -12.018 5.412 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.890 -10.376 5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.577 -11.862 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.783 -13.239 4.987 1.00 0.00 H new ATOM 0 HG LEU A 103 -14.879 -11.072 4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -16.059 -12.351 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.498 -11.717 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.655 -13.436 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -16.378 -12.934 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.994 -14.052 5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -15.050 -12.754 6.657 1.00 0.00 H new ATOM 1417 N GLU A 104 -13.362 -11.121 8.208 1.00 0.00 N ATOM 1418 CA GLU A 104 -13.845 -11.521 9.509 1.00 0.00 C ATOM 1419 C GLU A 104 -15.169 -10.830 9.770 1.00 0.00 C ATOM 1420 O GLU A 104 -15.354 -9.670 9.396 1.00 0.00 O ATOM 1421 CB GLU A 104 -12.819 -11.208 10.608 1.00 0.00 C ATOM 1422 CG GLU A 104 -12.249 -9.799 10.559 1.00 0.00 C ATOM 1423 CD GLU A 104 -11.270 -9.529 11.690 1.00 0.00 C ATOM 1424 OE1 GLU A 104 -10.201 -10.178 11.736 1.00 0.00 O ATOM 1425 OE2 GLU A 104 -11.579 -8.680 12.554 1.00 0.00 O ATOM 0 H GLU A 104 -13.434 -10.119 8.029 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.994 -12.601 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.288 -11.362 11.580 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.998 -11.921 10.534 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.747 -9.646 9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -13.065 -9.078 10.609 1.00 0.00 H new ATOM 1430 N ASN A 105 -16.090 -11.562 10.378 1.00 0.00 N ATOM 1431 CA ASN A 105 -17.464 -11.098 10.565 1.00 0.00 C ATOM 1432 C ASN A 105 -18.116 -10.882 9.202 1.00 0.00 C ATOM 1433 O ASN A 105 -18.949 -9.995 9.034 1.00 0.00 O ATOM 1434 CB ASN A 105 -17.521 -9.798 11.386 1.00 0.00 C ATOM 1435 CG ASN A 105 -16.795 -9.902 12.712 1.00 0.00 C ATOM 1436 OD1 ASN A 105 -17.357 -10.358 13.709 1.00 0.00 O ATOM 1437 ND2 ASN A 105 -15.546 -9.461 12.737 1.00 0.00 N ATOM 0 H ASN A 105 -15.911 -12.492 10.756 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.007 -11.862 11.121 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.085 -8.987 10.802 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.563 -9.535 11.568 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -15.012 -9.491 13.605 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -15.119 -9.091 11.888 1.00 0.00 H new ATOM 1443 N ASN A 106 -17.700 -11.704 8.231 1.00 0.00 N ATOM 1444 CA ASN A 106 -18.212 -11.654 6.850 1.00 0.00 C ATOM 1445 C ASN A 106 -17.856 -10.342 6.159 1.00 0.00 C ATOM 1446 O ASN A 106 -18.424 -10.008 5.118 1.00 0.00 O ATOM 1447 CB ASN A 106 -19.732 -11.831 6.798 1.00 0.00 C ATOM 1448 CG ASN A 106 -20.215 -13.126 7.426 1.00 0.00 C ATOM 1449 OD1 ASN A 106 -20.231 -14.172 6.779 1.00 0.00 O ATOM 1450 ND2 ASN A 106 -20.652 -13.057 8.675 1.00 0.00 N ATOM 0 H ASN A 106 -16.996 -12.427 8.379 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.733 -12.481 6.326 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -20.205 -10.991 7.308 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -20.058 -11.797 5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -21.019 -13.891 9.134 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -20.622 -12.170 9.178 1.00 0.00 H new ATOM 1456 N GLU A 107 -16.925 -9.598 6.726 1.00 0.00 N ATOM 1457 CA GLU A 107 -16.566 -8.311 6.179 1.00 0.00 C ATOM 1458 C GLU A 107 -15.090 -8.265 5.834 1.00 0.00 C ATOM 1459 O GLU A 107 -14.265 -8.881 6.507 1.00 0.00 O ATOM 1460 CB GLU A 107 -16.927 -7.207 7.167 1.00 0.00 C ATOM 1461 CG GLU A 107 -18.425 -7.055 7.371 1.00 0.00 C ATOM 1462 CD GLU A 107 -18.781 -5.930 8.315 1.00 0.00 C ATOM 1463 OE1 GLU A 107 -18.778 -6.155 9.541 1.00 0.00 O ATOM 1464 OE2 GLU A 107 -19.082 -4.817 7.836 1.00 0.00 O ATOM 0 H GLU A 107 -16.407 -9.865 7.563 1.00 0.00 H new ATOM 0 HA GLU A 107 -17.128 -8.153 5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -16.455 -7.418 8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -16.517 -6.262 6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -18.901 -6.877 6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -18.830 -7.990 7.759 1.00 0.00 H new ATOM 1469 N PHE A 108 -14.764 -7.534 4.782 1.00 0.00 N ATOM 1470 CA PHE A 108 -13.397 -7.457 4.299 1.00 0.00 C ATOM 1471 C PHE A 108 -12.647 -6.370 5.062 1.00 0.00 C ATOM 1472 O PHE A 108 -13.080 -5.220 5.097 1.00 0.00 O ATOM 1473 CB PHE A 108 -13.380 -7.176 2.785 1.00 0.00 C ATOM 1474 CG PHE A 108 -14.628 -7.643 2.069 1.00 0.00 C ATOM 1475 CD1 PHE A 108 -14.777 -8.966 1.659 1.00 0.00 C ATOM 1476 CD2 PHE A 108 -15.659 -6.751 1.812 1.00 0.00 C ATOM 1477 CE1 PHE A 108 -15.925 -9.379 1.010 1.00 0.00 C ATOM 1478 CE2 PHE A 108 -16.809 -7.163 1.166 1.00 0.00 C ATOM 1479 CZ PHE A 108 -16.941 -8.478 0.765 1.00 0.00 C ATOM 0 H PHE A 108 -15.432 -6.982 4.244 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.900 -8.412 4.469 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.258 -6.105 2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.512 -7.666 2.343 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -13.987 -9.677 1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.562 -5.721 2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -16.027 -10.407 0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -17.604 -6.457 0.975 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.839 -8.801 0.260 1.00 0.00 H new ATOM 1488 N ASN A 109 -11.553 -6.748 5.712 1.00 0.00 N ATOM 1489 CA ASN A 109 -10.774 -5.809 6.521 1.00 0.00 C ATOM 1490 C ASN A 109 -9.330 -5.787 6.045 1.00 0.00 C ATOM 1491 O ASN A 109 -8.914 -6.665 5.288 1.00 0.00 O ATOM 1492 CB ASN A 109 -10.774 -6.204 8.011 1.00 0.00 C ATOM 1493 CG ASN A 109 -12.128 -6.135 8.707 1.00 0.00 C ATOM 1494 OD1 ASN A 109 -13.186 -6.566 8.041 1.00 0.00 O flip ATOM 1495 ND2 ASN A 109 -12.209 -5.738 9.867 1.00 0.00 N flip ATOM 0 H ASN A 109 -11.182 -7.698 5.697 1.00 0.00 H new ATOM 0 HA ASN A 109 -11.237 -4.829 6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -10.391 -7.221 8.100 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -10.079 -5.554 8.542 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -11.374 -5.412 10.354 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -13.111 -5.735 10.343 1.00 0.00 H new ATOM 1501 N VAL A 110 -8.564 -4.793 6.480 1.00 0.00 N ATOM 1502 CA VAL A 110 -7.136 -4.788 6.208 1.00 0.00 C ATOM 1503 C VAL A 110 -6.355 -4.892 7.503 1.00 0.00 C ATOM 1504 O VAL A 110 -6.592 -4.144 8.447 1.00 0.00 O ATOM 1505 CB VAL A 110 -6.673 -3.547 5.405 1.00 0.00 C ATOM 1506 CG1 VAL A 110 -7.645 -3.274 4.292 1.00 0.00 C ATOM 1507 CG2 VAL A 110 -6.509 -2.307 6.268 1.00 0.00 C ATOM 0 H VAL A 110 -8.903 -3.993 7.014 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.935 -5.659 5.584 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.688 -3.778 4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.317 -2.400 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.690 -4.138 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.634 -3.086 4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -6.183 -1.472 5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -7.462 -2.061 6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.764 -2.497 7.040 1.00 0.00 H new ATOM 1517 N VAL A 111 -5.439 -5.834 7.541 1.00 0.00 N ATOM 1518 CA VAL A 111 -4.597 -6.028 8.711 1.00 0.00 C ATOM 1519 C VAL A 111 -3.226 -5.425 8.478 1.00 0.00 C ATOM 1520 O VAL A 111 -2.460 -5.935 7.670 1.00 0.00 O ATOM 1521 CB VAL A 111 -4.424 -7.527 9.048 1.00 0.00 C ATOM 1522 CG1 VAL A 111 -3.176 -7.744 9.898 1.00 0.00 C ATOM 1523 CG2 VAL A 111 -5.657 -8.063 9.759 1.00 0.00 C ATOM 0 H VAL A 111 -5.254 -6.482 6.775 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.091 -5.533 9.547 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.303 -8.076 8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.071 -8.805 10.125 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.298 -7.401 9.350 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.266 -7.181 10.827 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.515 -9.119 9.987 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.813 -7.509 10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.528 -7.945 9.115 1.00 0.00 H new ATOM 1533 N ASP A 112 -2.911 -4.362 9.197 1.00 0.00 N ATOM 1534 CA ASP A 112 -1.591 -3.753 9.081 1.00 0.00 C ATOM 1535 C ASP A 112 -0.583 -4.583 9.857 1.00 0.00 C ATOM 1536 O ASP A 112 -0.725 -4.771 11.066 1.00 0.00 O ATOM 1537 CB ASP A 112 -1.564 -2.314 9.597 1.00 0.00 C ATOM 1538 CG ASP A 112 -0.148 -1.765 9.658 1.00 0.00 C ATOM 1539 OD1 ASP A 112 0.573 -1.837 8.635 1.00 0.00 O ATOM 1540 OD2 ASP A 112 0.253 -1.258 10.726 1.00 0.00 O ATOM 0 H ASP A 112 -3.538 -3.906 9.859 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.335 -3.727 8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -2.171 -1.683 8.948 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -2.013 -2.275 10.590 1.00 0.00 H new ATOM 1544 N VAL A 113 0.422 -5.092 9.164 1.00 0.00 N ATOM 1545 CA VAL A 113 1.429 -5.928 9.795 1.00 0.00 C ATOM 1546 C VAL A 113 2.804 -5.275 9.728 1.00 0.00 C ATOM 1547 O VAL A 113 3.656 -5.512 10.584 1.00 0.00 O ATOM 1548 CB VAL A 113 1.497 -7.329 9.149 1.00 0.00 C ATOM 1549 CG1 VAL A 113 0.178 -8.074 9.315 1.00 0.00 C ATOM 1550 CG2 VAL A 113 1.865 -7.227 7.680 1.00 0.00 C ATOM 0 H VAL A 113 0.562 -4.941 8.165 1.00 0.00 H new ATOM 0 HA VAL A 113 1.134 -6.041 10.838 1.00 0.00 H new ATOM 0 HB VAL A 113 2.274 -7.895 9.662 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.255 -9.057 8.851 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.043 -8.190 10.376 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.622 -7.508 8.837 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.907 -8.226 7.245 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.114 -6.635 7.157 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.839 -6.747 7.581 1.00 0.00 H new ATOM 1560 N GLY A 114 3.015 -4.448 8.715 1.00 0.00 N ATOM 1561 CA GLY A 114 4.288 -3.784 8.565 1.00 0.00 C ATOM 1562 C GLY A 114 4.665 -3.558 7.115 1.00 0.00 C ATOM 1563 O GLY A 114 5.032 -4.495 6.407 1.00 0.00 O ATOM 0 H GLY A 114 2.326 -4.227 7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.255 -2.824 9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.062 -4.379 9.048 1.00 0.00 H new ATOM 1567 N SER A 115 4.562 -2.315 6.674 1.00 0.00 N ATOM 1568 CA SER A 115 4.899 -1.945 5.307 1.00 0.00 C ATOM 1569 C SER A 115 6.279 -1.288 5.252 1.00 0.00 C ATOM 1570 O SER A 115 6.670 -0.603 6.201 1.00 0.00 O ATOM 1571 CB SER A 115 3.823 -1.002 4.760 1.00 0.00 C ATOM 1572 OG SER A 115 4.142 -0.518 3.466 1.00 0.00 O ATOM 0 H SER A 115 4.244 -1.536 7.250 1.00 0.00 H new ATOM 0 HA SER A 115 4.935 -2.842 4.688 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.868 -1.525 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.700 -0.160 5.441 1.00 0.00 H new ATOM 0 HG SER A 115 4.793 -1.117 3.044 1.00 0.00 H new ATOM 1577 N LEU A 116 7.017 -1.494 4.158 1.00 0.00 N ATOM 1578 CA LEU A 116 8.375 -0.962 4.046 1.00 0.00 C ATOM 1579 C LEU A 116 8.373 0.572 4.145 1.00 0.00 C ATOM 1580 O LEU A 116 9.044 1.148 5.008 1.00 0.00 O ATOM 1581 CB LEU A 116 8.999 -1.445 2.726 1.00 0.00 C ATOM 1582 CG LEU A 116 10.499 -1.182 2.526 1.00 0.00 C ATOM 1583 CD1 LEU A 116 10.745 0.245 2.079 1.00 0.00 C ATOM 1584 CD2 LEU A 116 11.280 -1.488 3.798 1.00 0.00 C ATOM 0 H LEU A 116 6.699 -2.021 3.344 1.00 0.00 H new ATOM 0 HA LEU A 116 8.980 -1.332 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.830 -2.519 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.460 -0.974 1.904 1.00 0.00 H new ATOM 0 HG LEU A 116 10.853 -1.850 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.815 0.405 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.230 0.425 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 116 10.367 0.933 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.339 -1.294 3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 116 10.919 -0.854 4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.141 -2.535 4.067 1.00 0.00 H new ATOM 1595 N ASN A 117 7.601 1.222 3.278 1.00 0.00 N ATOM 1596 CA ASN A 117 7.462 2.678 3.311 1.00 0.00 C ATOM 1597 C ASN A 117 6.590 3.089 4.490 1.00 0.00 C ATOM 1598 O ASN A 117 6.849 4.093 5.146 1.00 0.00 O ATOM 1599 CB ASN A 117 6.839 3.167 2.012 1.00 0.00 C ATOM 1600 CG ASN A 117 7.634 2.715 0.814 1.00 0.00 C ATOM 1601 OD1 ASN A 117 6.970 2.515 -0.308 1.00 0.00 O flip ATOM 1602 ND2 ASN A 117 8.835 2.540 0.900 1.00 0.00 N flip ATOM 0 H ASN A 117 7.061 0.765 2.543 1.00 0.00 H new ATOM 0 HA ASN A 117 8.449 3.127 3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 117 5.818 2.794 1.934 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.781 4.255 2.022 1.00 0.00 H new ATOM 0 HD21 ASN A 117 9.312 2.706 1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 117 9.364 2.228 0.086 1.00 0.00 H new ATOM 1608 N GLY A 118 5.576 2.274 4.776 1.00 0.00 N ATOM 1609 CA GLY A 118 4.654 2.570 5.863 1.00 0.00 C ATOM 1610 C GLY A 118 3.204 2.283 5.494 1.00 0.00 C ATOM 1611 O GLY A 118 2.881 2.134 4.309 1.00 0.00 O ATOM 0 H GLY A 118 5.376 1.410 4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.927 1.979 6.737 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.753 3.619 6.144 1.00 0.00 H new ATOM 1615 N THR A 119 2.352 2.141 6.507 1.00 0.00 N ATOM 1616 CA THR A 119 0.913 1.954 6.308 1.00 0.00 C ATOM 1617 C THR A 119 0.110 3.156 6.813 1.00 0.00 C ATOM 1618 O THR A 119 0.335 3.637 7.926 1.00 0.00 O ATOM 1619 CB THR A 119 0.404 0.686 7.027 1.00 0.00 C ATOM 1620 OG1 THR A 119 0.897 -0.491 6.371 1.00 0.00 O ATOM 1621 CG2 THR A 119 -1.120 0.644 7.078 1.00 0.00 C ATOM 0 H THR A 119 2.636 2.152 7.486 1.00 0.00 H new ATOM 0 HA THR A 119 0.765 1.849 5.233 1.00 0.00 H new ATOM 0 HB THR A 119 0.779 0.717 8.050 1.00 0.00 H new ATOM 0 HG1 THR A 119 1.024 -1.204 7.031 1.00 0.00 H new ATOM 0 HG21 THR A 119 -1.442 -0.262 7.591 1.00 0.00 H new ATOM 0 HG22 THR A 119 -1.490 1.517 7.616 1.00 0.00 H new ATOM 0 HG23 THR A 119 -1.518 0.647 6.063 1.00 0.00 H new ATOM 1629 N TYR A 120 -0.820 3.632 5.996 1.00 0.00 N ATOM 1630 CA TYR A 120 -1.776 4.642 6.429 1.00 0.00 C ATOM 1631 C TYR A 120 -3.156 4.366 5.839 1.00 0.00 C ATOM 1632 O TYR A 120 -3.395 4.594 4.658 1.00 0.00 O ATOM 1633 CB TYR A 120 -1.325 6.052 6.028 1.00 0.00 C ATOM 1634 CG TYR A 120 -0.186 6.610 6.853 1.00 0.00 C ATOM 1635 CD1 TYR A 120 -0.390 7.031 8.161 1.00 0.00 C ATOM 1636 CD2 TYR A 120 1.089 6.727 6.321 1.00 0.00 C ATOM 1637 CE1 TYR A 120 0.644 7.559 8.910 1.00 0.00 C ATOM 1638 CE2 TYR A 120 2.128 7.250 7.064 1.00 0.00 C ATOM 1639 CZ TYR A 120 1.903 7.661 8.357 1.00 0.00 C ATOM 1640 OH TYR A 120 2.940 8.187 9.098 1.00 0.00 O ATOM 0 H TYR A 120 -0.933 3.334 5.027 1.00 0.00 H new ATOM 0 HA TYR A 120 -1.829 4.590 7.516 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -1.024 6.038 4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.177 6.727 6.106 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -1.373 6.944 8.600 1.00 0.00 H new ATOM 0 HD2 TYR A 120 1.272 6.403 5.307 1.00 0.00 H new ATOM 0 HE1 TYR A 120 0.467 7.890 9.923 1.00 0.00 H new ATOM 0 HE2 TYR A 120 3.114 7.336 6.632 1.00 0.00 H new ATOM 0 HH TYR A 120 3.759 8.187 8.560 1.00 0.00 H new ATOM 1649 N VAL A 121 -4.064 3.876 6.666 1.00 0.00 N ATOM 1650 CA VAL A 121 -5.452 3.689 6.257 1.00 0.00 C ATOM 1651 C VAL A 121 -6.228 4.936 6.615 1.00 0.00 C ATOM 1652 O VAL A 121 -6.365 5.257 7.787 1.00 0.00 O ATOM 1653 CB VAL A 121 -6.097 2.461 6.939 1.00 0.00 C ATOM 1654 CG1 VAL A 121 -7.576 2.347 6.596 1.00 0.00 C ATOM 1655 CG2 VAL A 121 -5.377 1.199 6.528 1.00 0.00 C ATOM 0 H VAL A 121 -3.867 3.599 7.628 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.475 3.511 5.182 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.008 2.594 8.017 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -7.998 1.473 7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -8.098 3.243 6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -7.692 2.244 5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.840 0.341 7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.440 1.080 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.330 1.264 6.826 1.00 0.00 H new ATOM 1665 N ASN A 122 -6.708 5.646 5.605 1.00 0.00 N ATOM 1666 CA ASN A 122 -7.333 6.951 5.805 1.00 0.00 C ATOM 1667 C ASN A 122 -6.286 7.893 6.394 1.00 0.00 C ATOM 1668 O ASN A 122 -6.584 8.731 7.248 1.00 0.00 O ATOM 1669 CB ASN A 122 -8.559 6.877 6.742 1.00 0.00 C ATOM 1670 CG ASN A 122 -9.413 5.624 6.568 1.00 0.00 C ATOM 1671 OD1 ASN A 122 -10.058 5.175 7.520 1.00 0.00 O ATOM 1672 ND2 ASN A 122 -9.419 5.043 5.375 1.00 0.00 N ATOM 0 H ASN A 122 -6.678 5.341 4.632 1.00 0.00 H new ATOM 0 HA ASN A 122 -7.693 7.316 4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -8.215 6.926 7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -9.184 7.754 6.572 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -9.969 4.198 5.222 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -8.874 5.442 4.611 1.00 0.00 H new ATOM 1678 N ARG A 123 -5.047 7.724 5.921 1.00 0.00 N ATOM 1679 CA ARG A 123 -3.879 8.415 6.463 1.00 0.00 C ATOM 1680 C ARG A 123 -3.722 8.228 7.979 1.00 0.00 C ATOM 1681 O ARG A 123 -3.226 9.120 8.667 1.00 0.00 O ATOM 1682 CB ARG A 123 -3.911 9.900 6.105 1.00 0.00 C ATOM 1683 CG ARG A 123 -3.618 10.173 4.637 1.00 0.00 C ATOM 1684 CD ARG A 123 -3.541 11.662 4.364 1.00 0.00 C ATOM 1685 NE ARG A 123 -2.533 12.315 5.194 1.00 0.00 N ATOM 1686 CZ ARG A 123 -2.815 13.198 6.148 1.00 0.00 C ATOM 1687 NH1 ARG A 123 -4.081 13.531 6.403 1.00 0.00 N ATOM 1688 NH2 ARG A 123 -1.835 13.745 6.850 1.00 0.00 N ATOM 0 H ARG A 123 -4.828 7.099 5.146 1.00 0.00 H new ATOM 0 HA ARG A 123 -3.006 7.956 5.998 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -4.892 10.305 6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -3.182 10.430 6.718 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -2.677 9.700 4.357 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -4.396 9.726 4.018 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -3.308 11.827 3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -4.514 12.116 4.550 1.00 0.00 H new ATOM 0 HE ARG A 123 -1.554 12.080 5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -4.838 13.108 5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -4.292 14.209 7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -0.866 13.489 6.659 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -2.049 14.422 7.582 1.00 0.00 H new ATOM 1699 N GLU A 124 -4.139 7.075 8.497 1.00 0.00 N ATOM 1700 CA GLU A 124 -3.867 6.722 9.883 1.00 0.00 C ATOM 1701 C GLU A 124 -3.552 5.228 9.990 1.00 0.00 C ATOM 1702 O GLU A 124 -4.175 4.402 9.326 1.00 0.00 O ATOM 1703 CB GLU A 124 -5.055 7.079 10.783 1.00 0.00 C ATOM 1704 CG GLU A 124 -6.290 6.229 10.541 1.00 0.00 C ATOM 1705 CD GLU A 124 -7.410 6.532 11.505 1.00 0.00 C ATOM 1706 OE1 GLU A 124 -7.289 6.170 12.694 1.00 0.00 O ATOM 1707 OE2 GLU A 124 -8.428 7.115 11.075 1.00 0.00 O ATOM 0 H GLU A 124 -4.665 6.373 7.977 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.003 7.294 10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -4.753 6.974 11.825 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -5.312 8.127 10.630 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -6.641 6.390 9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -6.022 5.176 10.623 1.00 0.00 H new ATOM 1712 N PRO A 125 -2.545 4.863 10.788 1.00 0.00 N ATOM 1713 CA PRO A 125 -2.209 3.464 11.020 1.00 0.00 C ATOM 1714 C PRO A 125 -3.310 2.736 11.793 1.00 0.00 C ATOM 1715 O PRO A 125 -3.681 3.148 12.894 1.00 0.00 O ATOM 1716 CB PRO A 125 -0.918 3.519 11.849 1.00 0.00 C ATOM 1717 CG PRO A 125 -0.428 4.923 11.741 1.00 0.00 C ATOM 1718 CD PRO A 125 -1.639 5.773 11.488 1.00 0.00 C ATOM 0 HA PRO A 125 -2.094 2.916 10.085 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.108 3.250 12.888 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -0.178 2.816 11.468 1.00 0.00 H new ATOM 0 HG2 PRO A 125 0.078 5.230 12.656 1.00 0.00 H new ATOM 0 HG3 PRO A 125 0.293 5.022 10.930 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -2.075 6.140 12.417 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -1.398 6.647 10.882 1.00 0.00 H new ATOM 1723 N VAL A 126 -3.835 1.659 11.218 1.00 0.00 N ATOM 1724 CA VAL A 126 -4.906 0.903 11.860 1.00 0.00 C ATOM 1725 C VAL A 126 -4.452 -0.513 12.178 1.00 0.00 C ATOM 1726 O VAL A 126 -3.330 -0.896 11.857 1.00 0.00 O ATOM 1727 CB VAL A 126 -6.181 0.826 10.983 1.00 0.00 C ATOM 1728 CG1 VAL A 126 -6.717 2.216 10.677 1.00 0.00 C ATOM 1729 CG2 VAL A 126 -5.913 0.047 9.697 1.00 0.00 C ATOM 0 H VAL A 126 -3.539 1.291 10.314 1.00 0.00 H new ATOM 0 HA VAL A 126 -5.148 1.437 12.779 1.00 0.00 H new ATOM 0 HB VAL A 126 -6.944 0.290 11.547 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -7.612 2.133 10.060 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -6.964 2.724 11.609 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -5.959 2.789 10.142 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -6.824 0.007 9.099 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -5.127 0.543 9.128 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -5.597 -0.966 9.945 1.00 0.00 H new ATOM 1739 N ASP A 127 -5.317 -1.279 12.821 1.00 0.00 N ATOM 1740 CA ASP A 127 -5.047 -2.689 13.047 1.00 0.00 C ATOM 1741 C ASP A 127 -5.691 -3.517 11.947 1.00 0.00 C ATOM 1742 O ASP A 127 -5.005 -4.124 11.128 1.00 0.00 O ATOM 1743 CB ASP A 127 -5.577 -3.136 14.410 1.00 0.00 C ATOM 1744 CG ASP A 127 -5.366 -4.616 14.644 1.00 0.00 C ATOM 1745 OD1 ASP A 127 -4.231 -5.009 14.978 1.00 0.00 O ATOM 1746 OD2 ASP A 127 -6.332 -5.390 14.497 1.00 0.00 O ATOM 0 H ASP A 127 -6.208 -0.951 13.194 1.00 0.00 H new ATOM 0 HA ASP A 127 -3.968 -2.839 13.033 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -5.077 -2.570 15.196 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -6.640 -2.906 14.478 1.00 0.00 H new ATOM 1750 N SER A 128 -7.015 -3.500 11.928 1.00 0.00 N ATOM 1751 CA SER A 128 -7.796 -4.235 10.948 1.00 0.00 C ATOM 1752 C SER A 128 -9.135 -3.536 10.749 1.00 0.00 C ATOM 1753 O SER A 128 -10.092 -3.769 11.484 1.00 0.00 O ATOM 1754 CB SER A 128 -7.981 -5.685 11.412 1.00 0.00 C ATOM 1755 OG SER A 128 -8.720 -6.445 10.473 1.00 0.00 O ATOM 0 H SER A 128 -7.579 -2.974 12.595 1.00 0.00 H new ATOM 0 HA SER A 128 -7.274 -4.257 9.991 1.00 0.00 H new ATOM 0 HB2 SER A 128 -7.005 -6.145 11.565 1.00 0.00 H new ATOM 0 HB3 SER A 128 -8.494 -5.697 12.374 1.00 0.00 H new ATOM 0 HG SER A 128 -8.817 -7.364 10.800 1.00 0.00 H new ATOM 1760 N ALA A 129 -9.177 -2.648 9.766 1.00 0.00 N ATOM 1761 CA ALA A 129 -10.351 -1.823 9.520 1.00 0.00 C ATOM 1762 C ALA A 129 -11.210 -2.413 8.413 1.00 0.00 C ATOM 1763 O ALA A 129 -10.690 -2.955 7.437 1.00 0.00 O ATOM 1764 CB ALA A 129 -9.924 -0.410 9.159 1.00 0.00 C ATOM 0 H ALA A 129 -8.405 -2.480 9.121 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.948 -1.795 10.431 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.808 0.202 8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -9.350 0.018 9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.308 -0.435 8.260 1.00 0.00 H new ATOM 1770 N VAL A 130 -12.522 -2.309 8.573 1.00 0.00 N ATOM 1771 CA VAL A 130 -13.458 -2.822 7.583 1.00 0.00 C ATOM 1772 C VAL A 130 -13.576 -1.845 6.418 1.00 0.00 C ATOM 1773 O VAL A 130 -13.784 -0.650 6.621 1.00 0.00 O ATOM 1774 CB VAL A 130 -14.861 -3.044 8.188 1.00 0.00 C ATOM 1775 CG1 VAL A 130 -15.776 -3.730 7.183 1.00 0.00 C ATOM 1776 CG2 VAL A 130 -14.781 -3.849 9.476 1.00 0.00 C ATOM 0 H VAL A 130 -12.963 -1.872 9.382 1.00 0.00 H new ATOM 0 HA VAL A 130 -13.071 -3.780 7.236 1.00 0.00 H new ATOM 0 HB VAL A 130 -15.282 -2.067 8.428 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.760 -3.878 7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -15.870 -3.108 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -15.354 -4.696 6.907 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.784 -3.990 9.880 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -14.333 -4.821 9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -14.169 -3.314 10.202 1.00 0.00 H new ATOM 1786 N LEU A 131 -13.435 -2.365 5.204 1.00 0.00 N ATOM 1787 CA LEU A 131 -13.541 -1.563 3.990 1.00 0.00 C ATOM 1788 C LEU A 131 -14.903 -0.888 3.855 1.00 0.00 C ATOM 1789 O LEU A 131 -15.868 -1.283 4.514 1.00 0.00 O ATOM 1790 CB LEU A 131 -13.306 -2.447 2.771 1.00 0.00 C ATOM 1791 CG LEU A 131 -11.851 -2.677 2.378 1.00 0.00 C ATOM 1792 CD1 LEU A 131 -11.038 -1.410 2.589 1.00 0.00 C ATOM 1793 CD2 LEU A 131 -11.244 -3.839 3.144 1.00 0.00 C ATOM 0 H LEU A 131 -13.244 -3.352 5.033 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.784 -0.781 4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -13.768 -3.417 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -13.825 -2.004 1.921 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.828 -2.934 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -10.002 -1.591 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.448 -0.608 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -11.080 -1.121 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -10.206 -3.974 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -11.283 -3.630 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -11.806 -4.748 2.931 1.00 0.00 H new ATOM 1804 N ALA A 132 -14.978 0.115 2.974 1.00 0.00 N ATOM 1805 CA ALA A 132 -16.215 0.843 2.739 1.00 0.00 C ATOM 1806 C ALA A 132 -16.101 1.720 1.493 1.00 0.00 C ATOM 1807 O ALA A 132 -15.007 1.900 0.955 1.00 0.00 O ATOM 1808 CB ALA A 132 -16.556 1.695 3.950 1.00 0.00 C ATOM 0 H ALA A 132 -14.189 0.437 2.413 1.00 0.00 H new ATOM 0 HA ALA A 132 -17.014 0.120 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -17.484 2.236 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -16.678 1.054 4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -15.751 2.407 4.132 1.00 0.00 H new ATOM 1814 N ASN A 133 -17.231 2.259 1.043 1.00 0.00 N ATOM 1815 CA ASN A 133 -17.263 3.143 -0.124 1.00 0.00 C ATOM 1816 C ASN A 133 -16.426 4.392 0.119 1.00 0.00 C ATOM 1817 O ASN A 133 -16.731 5.188 1.007 1.00 0.00 O ATOM 1818 CB ASN A 133 -18.711 3.537 -0.444 1.00 0.00 C ATOM 1819 CG ASN A 133 -18.824 4.618 -1.509 1.00 0.00 C ATOM 1820 OD1 ASN A 133 -18.016 4.699 -2.435 1.00 0.00 O ATOM 1821 ND2 ASN A 133 -19.843 5.459 -1.384 1.00 0.00 N ATOM 0 H ASN A 133 -18.143 2.099 1.470 1.00 0.00 H new ATOM 0 HA ASN A 133 -16.840 2.606 -0.973 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -19.255 2.653 -0.776 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -19.195 3.885 0.469 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -19.977 6.203 -2.068 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -20.492 5.361 -0.604 1.00 0.00 H new ATOM 1827 N GLY A 134 -15.361 4.547 -0.656 1.00 0.00 N ATOM 1828 CA GLY A 134 -14.542 5.734 -0.548 1.00 0.00 C ATOM 1829 C GLY A 134 -13.431 5.575 0.466 1.00 0.00 C ATOM 1830 O GLY A 134 -12.714 6.533 0.766 1.00 0.00 O ATOM 0 H GLY A 134 -15.051 3.872 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -14.111 5.965 -1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -15.169 6.581 -0.267 1.00 0.00 H new ATOM 1834 N ASP A 135 -13.299 4.373 1.015 1.00 0.00 N ATOM 1835 CA ASP A 135 -12.256 4.102 1.995 1.00 0.00 C ATOM 1836 C ASP A 135 -10.904 3.971 1.310 1.00 0.00 C ATOM 1837 O ASP A 135 -10.649 3.008 0.585 1.00 0.00 O ATOM 1838 CB ASP A 135 -12.569 2.833 2.790 1.00 0.00 C ATOM 1839 CG ASP A 135 -11.566 2.592 3.900 1.00 0.00 C ATOM 1840 OD1 ASP A 135 -11.545 3.386 4.865 1.00 0.00 O ATOM 1841 OD2 ASP A 135 -10.804 1.611 3.820 1.00 0.00 O ATOM 0 H ASP A 135 -13.897 3.576 0.800 1.00 0.00 H new ATOM 0 HA ASP A 135 -12.219 4.941 2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -13.569 2.911 3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -12.576 1.976 2.116 1.00 0.00 H new ATOM 1845 N GLU A 136 -10.059 4.963 1.520 1.00 0.00 N ATOM 1846 CA GLU A 136 -8.731 4.983 0.931 1.00 0.00 C ATOM 1847 C GLU A 136 -7.691 4.417 1.895 1.00 0.00 C ATOM 1848 O GLU A 136 -7.635 4.791 3.068 1.00 0.00 O ATOM 1849 CB GLU A 136 -8.375 6.414 0.512 1.00 0.00 C ATOM 1850 CG GLU A 136 -6.884 6.683 0.371 1.00 0.00 C ATOM 1851 CD GLU A 136 -6.560 8.163 0.346 1.00 0.00 C ATOM 1852 OE1 GLU A 136 -6.336 8.736 1.439 1.00 0.00 O ATOM 1853 OE2 GLU A 136 -6.520 8.753 -0.756 1.00 0.00 O ATOM 0 H GLU A 136 -10.271 5.774 2.101 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.730 4.347 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -8.861 6.631 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -8.787 7.106 1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -6.354 6.212 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -6.520 6.219 -0.546 1.00 0.00 H new ATOM 1858 N VAL A 137 -6.869 3.517 1.378 1.00 0.00 N ATOM 1859 CA VAL A 137 -5.809 2.885 2.156 1.00 0.00 C ATOM 1860 C VAL A 137 -4.479 3.105 1.464 1.00 0.00 C ATOM 1861 O VAL A 137 -4.361 2.888 0.267 1.00 0.00 O ATOM 1862 CB VAL A 137 -6.018 1.353 2.320 1.00 0.00 C ATOM 1863 CG1 VAL A 137 -4.950 0.747 3.228 1.00 0.00 C ATOM 1864 CG2 VAL A 137 -7.414 1.042 2.845 1.00 0.00 C ATOM 0 H VAL A 137 -6.916 3.203 0.409 1.00 0.00 H new ATOM 0 HA VAL A 137 -5.828 3.340 3.146 1.00 0.00 H new ATOM 0 HB VAL A 137 -5.920 0.898 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -5.121 -0.325 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.964 0.920 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -5.002 1.213 4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.531 -0.037 2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -7.552 1.518 3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -8.159 1.422 2.146 1.00 0.00 H new ATOM 1874 N GLN A 138 -3.483 3.551 2.192 1.00 0.00 N ATOM 1875 CA GLN A 138 -2.157 3.632 1.629 1.00 0.00 C ATOM 1876 C GLN A 138 -1.322 2.459 2.104 1.00 0.00 C ATOM 1877 O GLN A 138 -1.166 2.226 3.307 1.00 0.00 O ATOM 1878 CB GLN A 138 -1.476 4.966 1.967 1.00 0.00 C ATOM 1879 CG GLN A 138 0.002 5.009 1.584 1.00 0.00 C ATOM 1880 CD GLN A 138 0.913 4.589 2.718 1.00 0.00 C ATOM 1881 OE1 GLN A 138 0.611 4.803 3.883 1.00 0.00 O ATOM 1882 NE2 GLN A 138 2.029 3.975 2.383 1.00 0.00 N ATOM 0 H GLN A 138 -3.563 3.859 3.161 1.00 0.00 H new ATOM 0 HA GLN A 138 -2.245 3.586 0.544 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -2.000 5.773 1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -1.572 5.153 3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 138 0.170 4.356 0.728 1.00 0.00 H new ATOM 0 HG3 GLN A 138 0.262 6.020 1.270 1.00 0.00 H new ATOM 0 HE21 GLN A 138 2.247 3.814 1.400 1.00 0.00 H new ATOM 0 HE22 GLN A 138 2.675 3.660 3.107 1.00 0.00 H new ATOM 1889 N ILE A 139 -0.831 1.693 1.151 1.00 0.00 N ATOM 1890 CA ILE A 139 0.147 0.669 1.434 1.00 0.00 C ATOM 1891 C ILE A 139 1.408 0.994 0.674 1.00 0.00 C ATOM 1892 O ILE A 139 1.331 1.495 -0.448 1.00 0.00 O ATOM 1893 CB ILE A 139 -0.332 -0.781 1.101 1.00 0.00 C ATOM 1894 CG1 ILE A 139 0.520 -1.467 0.030 1.00 0.00 C ATOM 1895 CG2 ILE A 139 -1.793 -0.829 0.696 1.00 0.00 C ATOM 1896 CD1 ILE A 139 0.199 -1.022 -1.372 1.00 0.00 C ATOM 0 H ILE A 139 -1.097 1.763 0.169 1.00 0.00 H new ATOM 0 HA ILE A 139 0.321 0.673 2.510 1.00 0.00 H new ATOM 0 HB ILE A 139 -0.208 -1.334 2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 139 1.572 -1.269 0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 139 0.379 -2.545 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -2.076 -1.858 0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -2.409 -0.450 1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -1.945 -0.213 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 139 0.841 -1.550 -2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -0.844 -1.245 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 139 0.368 0.051 -1.461 1.00 0.00 H new ATOM 1907 N GLY A 140 2.551 0.770 1.299 1.00 0.00 N ATOM 1908 CA GLY A 140 3.800 0.979 0.622 1.00 0.00 C ATOM 1909 C GLY A 140 3.915 2.395 0.137 1.00 0.00 C ATOM 1910 O GLY A 140 4.223 3.294 0.905 1.00 0.00 O ATOM 0 H GLY A 140 2.631 0.447 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.626 0.753 1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.880 0.294 -0.222 1.00 0.00 H new ATOM 1914 N LYS A 141 3.630 2.610 -1.126 1.00 0.00 N ATOM 1915 CA LYS A 141 3.734 3.929 -1.683 1.00 0.00 C ATOM 1916 C LYS A 141 2.591 4.206 -2.657 1.00 0.00 C ATOM 1917 O LYS A 141 2.645 5.136 -3.451 1.00 0.00 O ATOM 1918 CB LYS A 141 5.104 4.055 -2.331 1.00 0.00 C ATOM 1919 CG LYS A 141 5.454 2.908 -3.265 1.00 0.00 C ATOM 1920 CD LYS A 141 6.914 2.941 -3.712 1.00 0.00 C ATOM 1921 CE LYS A 141 7.181 4.036 -4.730 1.00 0.00 C ATOM 1922 NZ LYS A 141 8.457 3.812 -5.461 1.00 0.00 N ATOM 0 H LYS A 141 3.326 1.889 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 141 3.642 4.685 -0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 141 5.146 4.990 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 141 5.860 4.117 -1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 141 5.252 1.961 -2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 141 4.808 2.948 -4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 141 7.554 3.092 -2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 141 7.182 1.976 -4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 141 6.357 4.079 -5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 141 7.216 5.001 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 8.604 4.580 -6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 9.247 3.796 -4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 8.414 2.903 -5.964 1.00 0.00 H new ATOM 1932 N PHE A 142 1.537 3.412 -2.556 1.00 0.00 N ATOM 1933 CA PHE A 142 0.409 3.512 -3.470 1.00 0.00 C ATOM 1934 C PHE A 142 -0.790 4.056 -2.719 1.00 0.00 C ATOM 1935 O PHE A 142 -0.926 3.832 -1.514 1.00 0.00 O ATOM 1936 CB PHE A 142 0.040 2.145 -4.078 1.00 0.00 C ATOM 1937 CG PHE A 142 1.225 1.285 -4.397 1.00 0.00 C ATOM 1938 CD1 PHE A 142 2.066 0.846 -3.389 1.00 0.00 C ATOM 1939 CD2 PHE A 142 1.504 0.921 -5.699 1.00 0.00 C ATOM 1940 CE1 PHE A 142 3.161 0.070 -3.674 1.00 0.00 C ATOM 1941 CE2 PHE A 142 2.601 0.145 -5.986 1.00 0.00 C ATOM 1942 CZ PHE A 142 3.427 -0.283 -4.976 1.00 0.00 C ATOM 0 H PHE A 142 1.439 2.687 -1.846 1.00 0.00 H new ATOM 0 HA PHE A 142 0.694 4.179 -4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -0.608 1.611 -3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -0.536 2.307 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 142 1.857 1.118 -2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 142 0.855 1.249 -6.498 1.00 0.00 H new ATOM 0 HE1 PHE A 142 3.812 -0.262 -2.879 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.814 -0.129 -7.009 1.00 0.00 H new ATOM 0 HZ PHE A 142 4.286 -0.897 -5.204 1.00 0.00 H new ATOM 1951 N ARG A 143 -1.655 4.759 -3.421 1.00 0.00 N ATOM 1952 CA ARG A 143 -2.850 5.300 -2.807 1.00 0.00 C ATOM 1953 C ARG A 143 -4.070 4.513 -3.278 1.00 0.00 C ATOM 1954 O ARG A 143 -4.503 4.635 -4.427 1.00 0.00 O ATOM 1955 CB ARG A 143 -2.976 6.787 -3.135 1.00 0.00 C ATOM 1956 CG ARG A 143 -4.009 7.500 -2.292 1.00 0.00 C ATOM 1957 CD ARG A 143 -3.521 8.868 -1.835 1.00 0.00 C ATOM 1958 NE ARG A 143 -3.386 9.822 -2.936 1.00 0.00 N ATOM 1959 CZ ARG A 143 -4.410 10.531 -3.414 1.00 0.00 C ATOM 1960 NH1 ARG A 143 -5.640 10.335 -2.939 1.00 0.00 N ATOM 1961 NH2 ARG A 143 -4.201 11.435 -4.361 1.00 0.00 N ATOM 0 H ARG A 143 -1.554 4.969 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 143 -2.785 5.204 -1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -2.008 7.267 -2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.236 6.899 -4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -4.929 7.615 -2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -4.250 6.891 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -4.217 9.268 -1.097 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -2.558 8.757 -1.337 1.00 0.00 H new ATOM 0 HE ARG A 143 -2.466 9.951 -3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -5.800 9.642 -2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -6.421 10.878 -3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -3.259 11.587 -4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -4.982 11.979 -4.728 1.00 0.00 H new ATOM 1972 N LEU A 144 -4.589 3.677 -2.390 1.00 0.00 N ATOM 1973 CA LEU A 144 -5.671 2.759 -2.724 1.00 0.00 C ATOM 1974 C LEU A 144 -7.012 3.301 -2.287 1.00 0.00 C ATOM 1975 O LEU A 144 -7.093 4.133 -1.395 1.00 0.00 O ATOM 1976 CB LEU A 144 -5.487 1.402 -2.035 1.00 0.00 C ATOM 1977 CG LEU A 144 -4.258 0.588 -2.425 1.00 0.00 C ATOM 1978 CD1 LEU A 144 -2.981 1.186 -1.859 1.00 0.00 C ATOM 1979 CD2 LEU A 144 -4.426 -0.842 -1.954 1.00 0.00 C ATOM 0 H LEU A 144 -4.274 3.615 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 144 -5.643 2.643 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -5.454 1.570 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -6.371 0.797 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 144 -4.170 0.607 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -2.129 0.576 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -2.854 2.200 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -3.042 1.212 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -3.547 -1.423 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -4.541 -0.857 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -5.311 -1.277 -2.419 1.00 0.00 H new ATOM 1990 N VAL A 145 -8.057 2.811 -2.921 1.00 0.00 N ATOM 1991 CA VAL A 145 -9.416 3.047 -2.472 1.00 0.00 C ATOM 1992 C VAL A 145 -10.229 1.775 -2.656 1.00 0.00 C ATOM 1993 O VAL A 145 -10.059 1.053 -3.637 1.00 0.00 O ATOM 1994 CB VAL A 145 -10.106 4.226 -3.212 1.00 0.00 C ATOM 1995 CG1 VAL A 145 -9.224 4.765 -4.318 1.00 0.00 C ATOM 1996 CG2 VAL A 145 -11.468 3.817 -3.763 1.00 0.00 C ATOM 0 H VAL A 145 -7.990 2.238 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.367 3.326 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 145 -10.264 5.021 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -9.732 5.589 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -8.285 5.121 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -9.019 3.973 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -11.923 4.665 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -11.344 2.993 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -12.112 3.500 -2.943 1.00 0.00 H new ATOM 2006 N PHE A 146 -11.093 1.500 -1.707 1.00 0.00 N ATOM 2007 CA PHE A 146 -11.962 0.342 -1.787 1.00 0.00 C ATOM 2008 C PHE A 146 -13.347 0.731 -2.251 1.00 0.00 C ATOM 2009 O PHE A 146 -13.901 1.733 -1.797 1.00 0.00 O ATOM 2010 CB PHE A 146 -12.070 -0.349 -0.434 1.00 0.00 C ATOM 2011 CG PHE A 146 -13.190 -1.350 -0.366 1.00 0.00 C ATOM 2012 CD1 PHE A 146 -12.992 -2.658 -0.758 1.00 0.00 C ATOM 2013 CD2 PHE A 146 -14.441 -0.977 0.096 1.00 0.00 C ATOM 2014 CE1 PHE A 146 -14.019 -3.574 -0.696 1.00 0.00 C ATOM 2015 CE2 PHE A 146 -15.472 -1.889 0.163 1.00 0.00 C ATOM 2016 CZ PHE A 146 -15.259 -3.191 -0.232 1.00 0.00 C ATOM 0 H PHE A 146 -11.215 2.063 -0.866 1.00 0.00 H new ATOM 0 HA PHE A 146 -11.521 -0.343 -2.511 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -11.128 -0.852 -0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -12.217 0.404 0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -12.022 -2.967 -1.117 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -14.611 0.043 0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -13.852 -4.593 -1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -16.443 -1.584 0.524 1.00 0.00 H new ATOM 0 HZ PHE A 146 -16.062 -3.911 -0.178 1.00 0.00 H new ATOM 2025 N LEU A 147 -13.905 -0.079 -3.139 1.00 0.00 N ATOM 2026 CA LEU A 147 -15.295 0.053 -3.522 1.00 0.00 C ATOM 2027 C LEU A 147 -15.960 -1.315 -3.567 1.00 0.00 C ATOM 2028 O LEU A 147 -15.298 -2.353 -3.498 1.00 0.00 O ATOM 2029 CB LEU A 147 -15.452 0.762 -4.870 1.00 0.00 C ATOM 2030 CG LEU A 147 -16.074 2.164 -4.805 1.00 0.00 C ATOM 2031 CD1 LEU A 147 -17.460 2.099 -4.192 1.00 0.00 C ATOM 2032 CD2 LEU A 147 -15.194 3.115 -4.009 1.00 0.00 C ATOM 0 H LEU A 147 -13.409 -0.837 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 147 -15.786 0.669 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -14.471 0.839 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -16.067 0.139 -5.520 1.00 0.00 H new ATOM 0 HG LEU A 147 -16.155 2.544 -5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -17.888 3.101 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -18.097 1.456 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -17.393 1.693 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -15.658 4.101 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -15.077 2.738 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -14.216 3.189 -4.484 1.00 0.00 H new