USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=17 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 98 HIS : no HE2:sc= -6.42! C(o=-7.9!,f=-18!) USER MOD Set 1.2: A 115 SER OG : rot 105:sc= -3.76! USER MOD Set 1.3: A 119 THR OG1 : rot 147:sc= 2.3 USER MOD Set 2.1: A 65 ASN : amide:sc= -0.383 K(o=-0.55,f=-1.2!) USER MOD Set 2.2: A 68 SER OG : rot -110:sc= -0.172 USER MOD Single : A 23 SER OG : rot 22:sc= 0.233 USER MOD Single : A 55 SER OG : rot -26:sc= 0.343 USER MOD Single : A 61 LYS NZ :NH3+ 168:sc=-0.00719 (180deg=-0.15) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.52! C(o=-3.2!,f=-1.5!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -2.78! USER MOD Single : A 78 SER OG : rot 120:sc= 0.931 USER MOD Single : A 82 HIS : no HD1:sc= -5.32! C(o=-5.3!,f=-9.5!) USER MOD Single : A 93 THR OG1 : rot -131:sc= 0.204 USER MOD Single : A 95 SER OG : rot 180:sc=-0.00842 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= -0.0263 K(o=-0.026,f=-1.1) USER MOD Single : A 109 ASN :FLIP amide:sc= -1.06 F(o=-4.4!,f=-1.1) USER MOD Single : A 117 ASN : amide:sc= -2.94 K(o=-2.9,f=-13!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN :FLIP amide:sc= -1.82 F(o=-4.9!,f=-1.8) USER MOD Single : A 128 SER OG : rot 180:sc= -0.105 USER MOD Single : A 133 ASN : amide:sc= -1.2 K(o=-1.2,f=-5.1!) USER MOD Single : A 138 GLN :FLIP amide:sc= -1.23 F(o=-2.2,f=-1.2) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 305 N SER A 23 12.765 -1.419 -1.899 1.00 0.00 N ATOM 306 CA SER A 23 12.803 -0.145 -2.622 1.00 0.00 C ATOM 307 C SER A 23 11.536 0.677 -2.387 1.00 0.00 C ATOM 308 O SER A 23 10.486 0.375 -2.948 1.00 0.00 O ATOM 309 CB SER A 23 12.920 -0.450 -4.103 1.00 0.00 C ATOM 310 OG SER A 23 13.937 -1.410 -4.348 1.00 0.00 O ATOM 0 HA SER A 23 13.652 0.437 -2.262 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.966 -0.822 -4.477 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.141 0.467 -4.650 1.00 0.00 H new ATOM 0 HG SER A 23 14.101 -1.928 -3.532 1.00 0.00 H new ATOM 315 N VAL A 24 11.629 1.744 -1.608 1.00 0.00 N ATOM 316 CA VAL A 24 10.431 2.456 -1.201 1.00 0.00 C ATOM 317 C VAL A 24 10.580 3.979 -1.285 1.00 0.00 C ATOM 318 O VAL A 24 11.689 4.512 -1.206 1.00 0.00 O ATOM 319 CB VAL A 24 10.062 2.035 0.222 1.00 0.00 C ATOM 320 CG1 VAL A 24 10.979 2.692 1.245 1.00 0.00 C ATOM 321 CG2 VAL A 24 8.603 2.320 0.524 1.00 0.00 C ATOM 0 H VAL A 24 12.504 2.129 -1.252 1.00 0.00 H new ATOM 0 HA VAL A 24 9.635 2.190 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 24 10.205 0.957 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.693 2.374 2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.010 2.397 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.891 3.776 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.375 2.009 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.412 3.388 0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.973 1.768 -0.174 1.00 0.00 H new ATOM 331 N PHE A 25 9.440 4.662 -1.435 1.00 0.00 N ATOM 332 CA PHE A 25 9.396 6.116 -1.573 1.00 0.00 C ATOM 333 C PHE A 25 7.928 6.554 -1.672 1.00 0.00 C ATOM 334 O PHE A 25 7.081 5.912 -1.066 1.00 0.00 O ATOM 335 CB PHE A 25 10.182 6.539 -2.821 1.00 0.00 C ATOM 336 CG PHE A 25 10.673 7.963 -2.797 1.00 0.00 C ATOM 337 CD1 PHE A 25 11.644 8.357 -1.889 1.00 0.00 C ATOM 338 CD2 PHE A 25 10.168 8.904 -3.681 1.00 0.00 C ATOM 339 CE1 PHE A 25 12.100 9.661 -1.863 1.00 0.00 C ATOM 340 CE2 PHE A 25 10.621 10.210 -3.659 1.00 0.00 C ATOM 341 CZ PHE A 25 11.588 10.589 -2.750 1.00 0.00 C ATOM 0 H PHE A 25 8.522 4.218 -1.464 1.00 0.00 H new ATOM 0 HA PHE A 25 9.853 6.596 -0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.038 5.875 -2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 25 9.549 6.401 -3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.049 7.636 -1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.412 8.613 -4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.856 9.955 -1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.218 10.933 -4.353 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.944 11.609 -2.732 1.00 0.00 H new ATOM 350 N ARG A 26 7.639 7.632 -2.424 1.00 0.00 N ATOM 351 CA ARG A 26 6.260 8.118 -2.646 1.00 0.00 C ATOM 352 C ARG A 26 5.499 8.160 -1.313 1.00 0.00 C ATOM 353 O ARG A 26 5.840 8.942 -0.423 1.00 0.00 O ATOM 354 CB ARG A 26 5.544 7.202 -3.661 1.00 0.00 C ATOM 355 CG ARG A 26 4.572 7.895 -4.626 1.00 0.00 C ATOM 356 CD ARG A 26 3.422 8.607 -3.921 1.00 0.00 C ATOM 357 NE ARG A 26 2.221 8.691 -4.763 1.00 0.00 N ATOM 358 CZ ARG A 26 2.192 9.209 -6.000 1.00 0.00 C ATOM 359 NH1 ARG A 26 3.266 9.794 -6.519 1.00 0.00 N ATOM 360 NH2 ARG A 26 1.071 9.172 -6.709 1.00 0.00 N ATOM 0 H ARG A 26 8.351 8.191 -2.895 1.00 0.00 H new ATOM 0 HA ARG A 26 6.291 9.129 -3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.301 6.684 -4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.994 6.441 -3.108 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.123 8.618 -5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.164 7.154 -5.313 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.181 8.078 -2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.737 9.612 -3.639 1.00 0.00 H new ATOM 0 HE ARG A 26 1.347 8.330 -4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.127 9.854 -5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.229 10.184 -7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.231 8.750 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.049 9.566 -7.650 1.00 0.00 H new ATOM 707 N SER A 55 -17.422 -10.902 -4.119 1.00 0.00 N ATOM 708 CA SER A 55 -16.042 -10.507 -3.896 1.00 0.00 C ATOM 709 C SER A 55 -15.917 -8.992 -3.971 1.00 0.00 C ATOM 710 O SER A 55 -16.617 -8.338 -4.746 1.00 0.00 O ATOM 711 CB SER A 55 -15.123 -11.189 -4.917 1.00 0.00 C ATOM 712 OG SER A 55 -15.704 -11.192 -6.212 1.00 0.00 O ATOM 0 HA SER A 55 -15.734 -10.827 -2.900 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.163 -10.673 -4.948 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.924 -12.214 -4.603 1.00 0.00 H new ATOM 0 HG SER A 55 -16.680 -11.149 -6.133 1.00 0.00 H new ATOM 717 N ALA A 56 -15.042 -8.440 -3.148 1.00 0.00 N ATOM 718 CA ALA A 56 -14.826 -7.005 -3.104 1.00 0.00 C ATOM 719 C ALA A 56 -13.351 -6.737 -3.298 1.00 0.00 C ATOM 720 O ALA A 56 -12.574 -7.687 -3.382 1.00 0.00 O ATOM 721 CB ALA A 56 -15.322 -6.436 -1.786 1.00 0.00 C ATOM 0 H ALA A 56 -14.465 -8.970 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.387 -6.515 -3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -15.153 -5.359 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.388 -6.638 -1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.781 -6.902 -0.962 1.00 0.00 H new ATOM 727 N LEU A 57 -12.944 -5.481 -3.440 1.00 0.00 N ATOM 728 CA LEU A 57 -11.522 -5.212 -3.568 1.00 0.00 C ATOM 729 C LEU A 57 -11.129 -3.783 -3.256 1.00 0.00 C ATOM 730 O LEU A 57 -11.836 -2.823 -3.575 1.00 0.00 O ATOM 731 CB LEU A 57 -11.024 -5.621 -4.966 1.00 0.00 C ATOM 732 CG LEU A 57 -11.848 -5.111 -6.159 1.00 0.00 C ATOM 733 CD1 LEU A 57 -11.500 -3.672 -6.507 1.00 0.00 C ATOM 734 CD2 LEU A 57 -11.638 -6.013 -7.366 1.00 0.00 C ATOM 0 H LEU A 57 -13.553 -4.663 -3.469 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.032 -5.821 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.000 -5.267 -5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.992 -6.710 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.899 -5.136 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.103 -3.347 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.704 -3.031 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.443 -3.606 -6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.227 -5.642 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.582 -6.018 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.954 -7.027 -7.122 1.00 0.00 H new ATOM 745 N LEU A 58 -9.993 -3.678 -2.584 1.00 0.00 N ATOM 746 CA LEU A 58 -9.292 -2.399 -2.442 1.00 0.00 C ATOM 747 C LEU A 58 -8.402 -2.213 -3.650 1.00 0.00 C ATOM 748 O LEU A 58 -7.430 -2.944 -3.807 1.00 0.00 O ATOM 749 CB LEU A 58 -8.366 -2.361 -1.220 1.00 0.00 C ATOM 750 CG LEU A 58 -8.952 -2.686 0.149 1.00 0.00 C ATOM 751 CD1 LEU A 58 -9.268 -4.166 0.278 1.00 0.00 C ATOM 752 CD2 LEU A 58 -7.953 -2.266 1.206 1.00 0.00 C ATOM 0 H LEU A 58 -9.531 -4.463 -2.125 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.053 -1.626 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.547 -3.057 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.930 -1.363 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.889 -2.144 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.684 -4.364 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.992 -4.451 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.355 -4.746 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.353 -2.490 2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.019 -2.810 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.766 -1.195 1.125 1.00 0.00 H new ATOM 763 N VAL A 59 -8.700 -1.245 -4.487 1.00 0.00 N ATOM 764 CA VAL A 59 -7.908 -1.041 -5.683 1.00 0.00 C ATOM 765 C VAL A 59 -6.969 0.153 -5.498 1.00 0.00 C ATOM 766 O VAL A 59 -7.403 1.243 -5.126 1.00 0.00 O ATOM 767 CB VAL A 59 -8.811 -0.845 -6.934 1.00 0.00 C ATOM 768 CG1 VAL A 59 -9.857 0.233 -6.699 1.00 0.00 C ATOM 769 CG2 VAL A 59 -7.983 -0.516 -8.170 1.00 0.00 C ATOM 0 H VAL A 59 -9.475 -0.593 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.308 -1.936 -5.849 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.326 -1.789 -7.109 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.471 0.345 -7.592 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.489 -0.051 -5.857 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.362 1.179 -6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.644 -0.385 -9.027 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.424 0.404 -7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.288 -1.331 -8.370 1.00 0.00 H new ATOM 779 N VAL A 60 -5.676 -0.062 -5.717 1.00 0.00 N ATOM 780 CA VAL A 60 -4.722 1.025 -5.648 1.00 0.00 C ATOM 781 C VAL A 60 -4.947 1.926 -6.862 1.00 0.00 C ATOM 782 O VAL A 60 -4.806 1.508 -8.022 1.00 0.00 O ATOM 783 CB VAL A 60 -3.246 0.522 -5.538 1.00 0.00 C ATOM 784 CG1 VAL A 60 -3.205 -0.886 -4.976 1.00 0.00 C ATOM 785 CG2 VAL A 60 -2.499 0.578 -6.842 1.00 0.00 C ATOM 0 H VAL A 60 -5.273 -0.972 -5.941 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.886 1.597 -4.735 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.741 1.206 -4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.170 -1.220 -4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.657 -0.895 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.759 -1.556 -5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.482 0.215 -6.695 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.004 -0.047 -7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.469 1.607 -7.200 1.00 0.00 H new ATOM 795 N LYS A 61 -5.375 3.145 -6.549 1.00 0.00 N ATOM 796 CA LYS A 61 -5.848 4.115 -7.521 1.00 0.00 C ATOM 797 C LYS A 61 -4.712 4.616 -8.401 1.00 0.00 C ATOM 798 O LYS A 61 -4.655 4.308 -9.590 1.00 0.00 O ATOM 799 CB LYS A 61 -6.493 5.289 -6.776 1.00 0.00 C ATOM 800 CG LYS A 61 -7.116 6.342 -7.677 1.00 0.00 C ATOM 801 CD LYS A 61 -7.660 7.507 -6.865 1.00 0.00 C ATOM 802 CE LYS A 61 -8.336 8.541 -7.748 1.00 0.00 C ATOM 803 NZ LYS A 61 -9.562 8.002 -8.397 1.00 0.00 N ATOM 0 H LYS A 61 -5.402 3.490 -5.590 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.580 3.635 -8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.261 4.900 -6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.738 5.765 -6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.371 6.705 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.920 5.895 -8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.373 7.136 -6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.846 7.977 -6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.596 9.414 -7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.637 8.876 -8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.101 8.783 -8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.293 7.323 -9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.150 7.523 -7.685 1.00 0.00 H new ATOM 813 N ARG A 62 -3.812 5.391 -7.808 1.00 0.00 N ATOM 814 CA ARG A 62 -2.684 5.957 -8.529 1.00 0.00 C ATOM 815 C ARG A 62 -1.480 6.080 -7.610 1.00 0.00 C ATOM 816 O ARG A 62 -1.578 6.576 -6.486 1.00 0.00 O ATOM 817 CB ARG A 62 -3.029 7.326 -9.131 1.00 0.00 C ATOM 818 CG ARG A 62 -3.997 7.254 -10.300 1.00 0.00 C ATOM 819 CD ARG A 62 -4.151 8.599 -10.994 1.00 0.00 C ATOM 820 NE ARG A 62 -4.794 9.603 -10.147 1.00 0.00 N ATOM 821 CZ ARG A 62 -5.485 10.642 -10.623 1.00 0.00 C ATOM 822 NH1 ARG A 62 -5.635 10.801 -11.933 1.00 0.00 N ATOM 823 NH2 ARG A 62 -6.026 11.525 -9.788 1.00 0.00 N ATOM 0 H ARG A 62 -3.845 5.642 -6.820 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.442 5.281 -9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.459 7.957 -8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.110 7.810 -9.461 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.644 6.514 -11.018 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.970 6.915 -9.945 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.169 8.961 -11.297 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.737 8.468 -11.904 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.710 9.504 -9.135 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.222 10.128 -12.579 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.163 11.596 -12.293 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.914 11.410 -8.781 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.553 12.317 -10.155 1.00 0.00 H new ATOM 834 N GLY A 63 -0.355 5.603 -8.092 1.00 0.00 N ATOM 835 CA GLY A 63 0.871 5.654 -7.357 1.00 0.00 C ATOM 836 C GLY A 63 1.990 5.119 -8.207 1.00 0.00 C ATOM 837 O GLY A 63 1.926 5.219 -9.429 1.00 0.00 O ATOM 0 H GLY A 63 -0.273 5.168 -9.011 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.086 6.680 -7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.783 5.068 -6.442 1.00 0.00 H new ATOM 841 N PRO A 64 3.013 4.526 -7.602 1.00 0.00 N ATOM 842 CA PRO A 64 4.138 3.974 -8.340 1.00 0.00 C ATOM 843 C PRO A 64 3.735 2.856 -9.277 1.00 0.00 C ATOM 844 O PRO A 64 3.861 2.984 -10.494 1.00 0.00 O ATOM 845 CB PRO A 64 5.085 3.476 -7.251 1.00 0.00 C ATOM 846 CG PRO A 64 4.663 4.208 -6.035 1.00 0.00 C ATOM 847 CD PRO A 64 3.185 4.387 -6.161 1.00 0.00 C ATOM 0 HA PRO A 64 4.594 4.718 -8.993 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.002 2.398 -7.115 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.125 3.687 -7.501 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.914 3.648 -5.134 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.169 5.171 -5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.636 3.532 -5.766 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.834 5.267 -5.622 1.00 0.00 H new ATOM 852 N ASN A 65 3.255 1.762 -8.720 1.00 0.00 N ATOM 853 CA ASN A 65 2.728 0.688 -9.542 1.00 0.00 C ATOM 854 C ASN A 65 1.366 1.088 -10.041 1.00 0.00 C ATOM 855 O ASN A 65 1.094 1.094 -11.242 1.00 0.00 O ATOM 856 CB ASN A 65 2.581 -0.594 -8.741 1.00 0.00 C ATOM 857 CG ASN A 65 2.523 -1.827 -9.619 1.00 0.00 C ATOM 858 OD1 ASN A 65 3.180 -1.894 -10.660 1.00 0.00 O ATOM 859 ND2 ASN A 65 1.720 -2.802 -9.221 1.00 0.00 N ATOM 0 H ASN A 65 3.218 1.593 -7.715 1.00 0.00 H new ATOM 0 HA ASN A 65 3.419 0.513 -10.366 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.419 -0.684 -8.050 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.675 -0.539 -8.138 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.628 -3.648 -9.783 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.194 -2.707 -8.353 1.00 0.00 H new ATOM 865 N ALA A 66 0.545 1.472 -9.080 1.00 0.00 N ATOM 866 CA ALA A 66 -0.877 1.749 -9.306 1.00 0.00 C ATOM 867 C ALA A 66 -1.625 0.595 -10.006 1.00 0.00 C ATOM 868 O ALA A 66 -1.020 -0.373 -10.475 1.00 0.00 O ATOM 869 CB ALA A 66 -1.054 3.029 -10.100 1.00 0.00 C ATOM 0 H ALA A 66 0.840 1.604 -8.113 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.320 1.861 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.116 3.216 -10.257 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.616 3.862 -9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.557 2.930 -11.065 1.00 0.00 H new ATOM 875 N GLY A 67 -2.956 0.694 -10.038 1.00 0.00 N ATOM 876 CA GLY A 67 -3.759 -0.242 -10.808 1.00 0.00 C ATOM 877 C GLY A 67 -4.026 -1.556 -10.098 1.00 0.00 C ATOM 878 O GLY A 67 -4.670 -2.441 -10.656 1.00 0.00 O ATOM 0 H GLY A 67 -3.491 1.408 -9.543 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.712 0.228 -11.052 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.254 -0.447 -11.752 1.00 0.00 H new ATOM 882 N SER A 68 -3.553 -1.690 -8.869 1.00 0.00 N ATOM 883 CA SER A 68 -3.588 -2.987 -8.192 1.00 0.00 C ATOM 884 C SER A 68 -4.837 -3.111 -7.318 1.00 0.00 C ATOM 885 O SER A 68 -5.646 -2.197 -7.287 1.00 0.00 O ATOM 886 CB SER A 68 -2.318 -3.167 -7.371 1.00 0.00 C ATOM 887 OG SER A 68 -1.172 -2.859 -8.150 1.00 0.00 O ATOM 0 H SER A 68 -3.145 -0.932 -8.322 1.00 0.00 H new ATOM 0 HA SER A 68 -3.636 -3.779 -8.939 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.352 -2.522 -6.493 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.254 -4.194 -7.010 1.00 0.00 H new ATOM 0 HG SER A 68 -0.673 -3.681 -8.338 1.00 0.00 H new ATOM 892 N ARG A 69 -4.998 -4.227 -6.598 1.00 0.00 N ATOM 893 CA ARG A 69 -6.239 -4.471 -5.851 1.00 0.00 C ATOM 894 C ARG A 69 -6.102 -5.663 -4.897 1.00 0.00 C ATOM 895 O ARG A 69 -5.367 -6.608 -5.190 1.00 0.00 O ATOM 896 CB ARG A 69 -7.407 -4.725 -6.825 1.00 0.00 C ATOM 897 CG ARG A 69 -7.448 -6.128 -7.434 1.00 0.00 C ATOM 898 CD ARG A 69 -6.230 -6.438 -8.297 1.00 0.00 C ATOM 899 NE ARG A 69 -5.568 -7.672 -7.868 1.00 0.00 N ATOM 900 CZ ARG A 69 -5.190 -8.648 -8.699 1.00 0.00 C ATOM 901 NH1 ARG A 69 -5.367 -8.521 -10.006 1.00 0.00 N ATOM 902 NH2 ARG A 69 -4.624 -9.751 -8.223 1.00 0.00 N ATOM 0 H ARG A 69 -4.298 -4.965 -6.516 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.442 -3.580 -5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.345 -4.546 -6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.351 -3.996 -7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.516 -6.864 -6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.350 -6.230 -8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.535 -6.531 -9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.525 -5.608 -8.244 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.384 -7.794 -6.872 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.794 -7.675 -10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.076 -9.269 -10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.476 -9.856 -7.219 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.337 -10.493 -8.861 1.00 0.00 H new ATOM 913 N PHE A 70 -6.821 -5.638 -3.765 1.00 0.00 N ATOM 914 CA PHE A 70 -6.837 -6.782 -2.877 1.00 0.00 C ATOM 915 C PHE A 70 -8.042 -7.610 -3.247 1.00 0.00 C ATOM 916 O PHE A 70 -9.166 -7.102 -3.210 1.00 0.00 O ATOM 917 CB PHE A 70 -6.972 -6.410 -1.382 1.00 0.00 C ATOM 918 CG PHE A 70 -5.990 -5.416 -0.830 1.00 0.00 C ATOM 919 CD1 PHE A 70 -5.217 -4.630 -1.656 1.00 0.00 C ATOM 920 CD2 PHE A 70 -5.860 -5.266 0.544 1.00 0.00 C ATOM 921 CE1 PHE A 70 -4.333 -3.714 -1.139 1.00 0.00 C ATOM 922 CE2 PHE A 70 -4.974 -4.347 1.073 1.00 0.00 C ATOM 923 CZ PHE A 70 -4.211 -3.565 0.228 1.00 0.00 C ATOM 0 H PHE A 70 -7.386 -4.847 -3.457 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.888 -7.304 -2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.976 -6.018 -1.221 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.890 -7.326 -0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.307 -4.735 -2.727 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.458 -5.874 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.733 -3.110 -1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.878 -4.241 2.143 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.522 -2.840 0.635 1.00 0.00 H new ATOM 932 N LEU A 71 -7.808 -8.869 -3.602 1.00 0.00 N ATOM 933 CA LEU A 71 -8.853 -9.744 -4.073 1.00 0.00 C ATOM 934 C LEU A 71 -9.617 -10.270 -2.877 1.00 0.00 C ATOM 935 O LEU A 71 -9.230 -11.249 -2.251 1.00 0.00 O ATOM 936 CB LEU A 71 -8.230 -10.876 -4.909 1.00 0.00 C ATOM 937 CG LEU A 71 -9.179 -11.967 -5.416 1.00 0.00 C ATOM 938 CD1 LEU A 71 -9.177 -13.155 -4.462 1.00 0.00 C ATOM 939 CD2 LEU A 71 -10.583 -11.412 -5.624 1.00 0.00 C ATOM 0 H LEU A 71 -6.886 -9.303 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.553 -9.210 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.736 -10.428 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.454 -11.353 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.824 -12.317 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.856 -13.922 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.169 -13.564 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.505 -12.829 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.238 -12.205 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.966 -11.026 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.551 -10.607 -6.358 1.00 0.00 H new ATOM 950 N LEU A 72 -10.696 -9.615 -2.540 1.00 0.00 N ATOM 951 CA LEU A 72 -11.427 -10.002 -1.361 1.00 0.00 C ATOM 952 C LEU A 72 -12.484 -11.042 -1.724 1.00 0.00 C ATOM 953 O LEU A 72 -13.647 -10.927 -1.343 1.00 0.00 O ATOM 954 CB LEU A 72 -12.086 -8.784 -0.704 1.00 0.00 C ATOM 955 CG LEU A 72 -11.272 -7.484 -0.741 1.00 0.00 C ATOM 956 CD1 LEU A 72 -11.988 -6.394 0.025 1.00 0.00 C ATOM 957 CD2 LEU A 72 -9.880 -7.682 -0.186 1.00 0.00 C ATOM 0 H LEU A 72 -11.084 -8.824 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.728 -10.437 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.044 -8.605 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.300 -9.027 0.337 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.175 -7.185 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.399 -5.478 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.965 -6.215 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.117 -6.703 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.334 -6.740 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.945 -8.017 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.356 -8.432 -0.778 1.00 0.00 H new ATOM 968 N ASP A 73 -12.069 -12.034 -2.498 1.00 0.00 N ATOM 969 CA ASP A 73 -12.951 -13.118 -2.914 1.00 0.00 C ATOM 970 C ASP A 73 -12.729 -14.339 -2.044 1.00 0.00 C ATOM 971 O ASP A 73 -13.615 -15.178 -1.887 1.00 0.00 O ATOM 972 CB ASP A 73 -12.716 -13.461 -4.392 1.00 0.00 C ATOM 973 CG ASP A 73 -13.322 -14.786 -4.813 1.00 0.00 C ATOM 974 OD1 ASP A 73 -14.551 -14.849 -5.007 1.00 0.00 O ATOM 975 OD2 ASP A 73 -12.563 -15.767 -4.964 1.00 0.00 O ATOM 0 H ASP A 73 -11.117 -12.112 -2.855 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.984 -12.792 -2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.134 -12.667 -5.011 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.643 -13.484 -4.585 1.00 0.00 H new ATOM 979 N GLN A 74 -11.547 -14.428 -1.460 1.00 0.00 N ATOM 980 CA GLN A 74 -11.250 -15.540 -0.571 1.00 0.00 C ATOM 981 C GLN A 74 -11.347 -15.075 0.876 1.00 0.00 C ATOM 982 O GLN A 74 -11.905 -14.015 1.138 1.00 0.00 O ATOM 983 CB GLN A 74 -9.885 -16.167 -0.875 1.00 0.00 C ATOM 984 CG GLN A 74 -8.700 -15.264 -0.642 1.00 0.00 C ATOM 985 CD GLN A 74 -7.407 -16.050 -0.633 1.00 0.00 C ATOM 986 OE1 GLN A 74 -6.344 -15.419 -1.051 1.00 0.00 O flip ATOM 987 NE2 GLN A 74 -7.373 -17.221 -0.256 1.00 0.00 N flip ATOM 0 H GLN A 74 -10.788 -13.757 -1.581 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.989 -16.324 -0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.768 -17.060 -0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.875 -16.492 -1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.661 -14.503 -1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.818 -14.742 0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.227 -17.679 0.064 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.491 -17.734 -0.263 1.00 0.00 H new ATOM 994 N ALA A 75 -10.854 -15.863 1.814 1.00 0.00 N ATOM 995 CA ALA A 75 -10.938 -15.490 3.219 1.00 0.00 C ATOM 996 C ALA A 75 -9.930 -14.401 3.567 1.00 0.00 C ATOM 997 O ALA A 75 -10.223 -13.506 4.361 1.00 0.00 O ATOM 998 CB ALA A 75 -10.738 -16.706 4.109 1.00 0.00 C ATOM 0 H ALA A 75 -10.396 -16.756 1.634 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.936 -15.089 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.804 -16.406 5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.510 -17.445 3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.756 -17.140 3.917 1.00 0.00 H new ATOM 1004 N ILE A 76 -8.737 -14.471 2.979 1.00 0.00 N ATOM 1005 CA ILE A 76 -7.708 -13.484 3.278 1.00 0.00 C ATOM 1006 C ILE A 76 -6.621 -13.411 2.201 1.00 0.00 C ATOM 1007 O ILE A 76 -6.083 -14.427 1.763 1.00 0.00 O ATOM 1008 CB ILE A 76 -7.119 -13.726 4.701 1.00 0.00 C ATOM 1009 CG1 ILE A 76 -5.866 -12.871 4.986 1.00 0.00 C ATOM 1010 CG2 ILE A 76 -6.821 -15.198 4.923 1.00 0.00 C ATOM 1011 CD1 ILE A 76 -4.553 -13.500 4.544 1.00 0.00 C ATOM 0 H ILE A 76 -8.465 -15.187 2.306 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.184 -12.503 3.272 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.885 -13.409 5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.978 -11.909 4.487 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.815 -12.671 6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.411 -15.339 5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.741 -15.775 4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.097 -15.538 4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.729 -12.828 4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.411 -14.448 5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.577 -13.674 3.468 1.00 0.00 H new ATOM 1022 N THR A 77 -6.322 -12.180 1.778 1.00 0.00 N ATOM 1023 CA THR A 77 -5.315 -11.915 0.752 1.00 0.00 C ATOM 1024 C THR A 77 -4.178 -11.041 1.297 1.00 0.00 C ATOM 1025 O THR A 77 -4.428 -9.975 1.851 1.00 0.00 O ATOM 1026 CB THR A 77 -5.934 -11.196 -0.461 1.00 0.00 C ATOM 1027 OG1 THR A 77 -6.799 -10.142 -0.037 1.00 0.00 O ATOM 1028 CG2 THR A 77 -6.697 -12.164 -1.342 1.00 0.00 C ATOM 0 H THR A 77 -6.773 -11.339 2.139 1.00 0.00 H new ATOM 0 HA THR A 77 -4.919 -12.884 0.447 1.00 0.00 H new ATOM 0 HB THR A 77 -5.116 -10.771 -1.043 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.181 -9.697 -0.822 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.122 -11.627 -2.190 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.020 -12.937 -1.705 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.499 -12.626 -0.766 1.00 0.00 H new ATOM 1036 N SER A 78 -2.936 -11.486 1.137 1.00 0.00 N ATOM 1037 CA SER A 78 -1.781 -10.670 1.518 1.00 0.00 C ATOM 1038 C SER A 78 -1.548 -9.582 0.468 1.00 0.00 C ATOM 1039 O SER A 78 -1.554 -9.862 -0.725 1.00 0.00 O ATOM 1040 CB SER A 78 -0.543 -11.546 1.683 1.00 0.00 C ATOM 1041 OG SER A 78 -0.716 -12.472 2.743 1.00 0.00 O ATOM 0 H SER A 78 -2.701 -12.400 0.749 1.00 0.00 H new ATOM 0 HA SER A 78 -1.981 -10.190 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.346 -12.082 0.755 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.327 -10.920 1.880 1.00 0.00 H new ATOM 0 HG SER A 78 -0.642 -13.385 2.395 1.00 0.00 H new ATOM 1046 N ALA A 79 -1.351 -8.343 0.908 1.00 0.00 N ATOM 1047 CA ALA A 79 -1.315 -7.206 -0.008 1.00 0.00 C ATOM 1048 C ALA A 79 -0.059 -6.365 0.132 1.00 0.00 C ATOM 1049 O ALA A 79 0.184 -5.797 1.193 1.00 0.00 O ATOM 1050 CB ALA A 79 -2.515 -6.328 0.248 1.00 0.00 C ATOM 0 H ALA A 79 -1.214 -8.100 1.889 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.323 -7.613 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.495 -5.477 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.427 -6.902 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.491 -5.970 1.277 1.00 0.00 H new ATOM 1056 N GLY A 80 0.701 -6.237 -0.950 1.00 0.00 N ATOM 1057 CA GLY A 80 1.915 -5.459 -0.920 1.00 0.00 C ATOM 1058 C GLY A 80 2.937 -6.013 -1.881 1.00 0.00 C ATOM 1059 O GLY A 80 2.641 -6.229 -3.055 1.00 0.00 O ATOM 0 H GLY A 80 0.491 -6.664 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.693 -4.423 -1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.324 -5.457 0.090 1.00 0.00 H new ATOM 1063 N ARG A 81 4.136 -6.258 -1.392 1.00 0.00 N ATOM 1064 CA ARG A 81 5.160 -6.880 -2.205 1.00 0.00 C ATOM 1065 C ARG A 81 4.845 -8.350 -2.382 1.00 0.00 C ATOM 1066 O ARG A 81 4.980 -9.158 -1.466 1.00 0.00 O ATOM 1067 CB ARG A 81 6.542 -6.632 -1.603 1.00 0.00 C ATOM 1068 CG ARG A 81 7.656 -7.511 -2.163 1.00 0.00 C ATOM 1069 CD ARG A 81 7.903 -8.766 -1.336 1.00 0.00 C ATOM 1070 NE ARG A 81 8.577 -8.469 -0.074 1.00 0.00 N ATOM 1071 CZ ARG A 81 9.155 -9.398 0.687 1.00 0.00 C ATOM 1072 NH1 ARG A 81 9.218 -10.655 0.268 1.00 0.00 N ATOM 1073 NH2 ARG A 81 9.702 -9.062 1.849 1.00 0.00 N ATOM 0 H ARG A 81 4.424 -6.037 -0.439 1.00 0.00 H new ATOM 0 HA ARG A 81 5.173 -6.431 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.809 -5.587 -1.762 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.485 -6.786 -0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.404 -7.800 -3.183 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.577 -6.930 -2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.952 -9.258 -1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.507 -9.467 -1.913 1.00 0.00 H new ATOM 0 HE ARG A 81 8.607 -7.499 0.241 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.824 -10.911 -0.637 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.661 -11.365 0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.680 -8.091 2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.144 -9.775 2.430 1.00 0.00 H new ATOM 1084 N HIS A 82 4.395 -8.684 -3.567 1.00 0.00 N ATOM 1085 CA HIS A 82 3.851 -9.992 -3.801 1.00 0.00 C ATOM 1086 C HIS A 82 4.336 -10.568 -5.121 1.00 0.00 C ATOM 1087 O HIS A 82 4.349 -9.880 -6.137 1.00 0.00 O ATOM 1088 CB HIS A 82 2.337 -9.899 -3.836 1.00 0.00 C ATOM 1089 CG HIS A 82 1.671 -10.634 -2.741 1.00 0.00 C ATOM 1090 ND1 HIS A 82 2.321 -11.029 -1.600 1.00 0.00 N ATOM 1091 CD2 HIS A 82 0.397 -11.046 -2.616 1.00 0.00 C ATOM 1092 CE1 HIS A 82 1.471 -11.666 -0.824 1.00 0.00 C ATOM 1093 NE2 HIS A 82 0.297 -11.686 -1.416 1.00 0.00 N ATOM 0 H HIS A 82 4.396 -8.068 -4.380 1.00 0.00 H new ATOM 0 HA HIS A 82 4.182 -10.648 -2.996 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.045 -8.850 -3.788 1.00 0.00 H new ATOM 0 HB3 HIS A 82 1.980 -10.285 -4.791 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.398 -10.898 -3.332 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.699 -12.100 0.138 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -0.550 -12.111 -1.039 1.00 0.00 H new ATOM 1133 N ASP A 86 -1.993 -12.855 -4.189 1.00 0.00 N ATOM 1134 CA ASP A 86 -3.236 -12.079 -4.077 1.00 0.00 C ATOM 1135 C ASP A 86 -3.084 -10.682 -4.675 1.00 0.00 C ATOM 1136 O ASP A 86 -3.558 -10.401 -5.775 1.00 0.00 O ATOM 1137 CB ASP A 86 -3.654 -11.934 -2.607 1.00 0.00 C ATOM 1138 CG ASP A 86 -3.198 -13.094 -1.741 1.00 0.00 C ATOM 1139 OD1 ASP A 86 -2.075 -13.020 -1.194 1.00 0.00 O ATOM 1140 OD2 ASP A 86 -3.956 -14.068 -1.585 1.00 0.00 O ATOM 0 HA ASP A 86 -3.999 -12.625 -4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.242 -11.007 -2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -4.739 -11.851 -2.551 1.00 0.00 H new ATOM 1144 N ILE A 87 -2.421 -9.813 -3.929 1.00 0.00 N ATOM 1145 CA ILE A 87 -2.302 -8.402 -4.286 1.00 0.00 C ATOM 1146 C ILE A 87 -0.834 -7.952 -4.258 1.00 0.00 C ATOM 1147 O ILE A 87 -0.199 -7.895 -3.203 1.00 0.00 O ATOM 1148 CB ILE A 87 -3.212 -7.525 -3.370 1.00 0.00 C ATOM 1149 CG1 ILE A 87 -2.587 -6.173 -3.034 1.00 0.00 C ATOM 1150 CG2 ILE A 87 -3.617 -8.252 -2.102 1.00 0.00 C ATOM 1151 CD1 ILE A 87 -2.969 -5.082 -3.999 1.00 0.00 C ATOM 0 H ILE A 87 -1.950 -10.062 -3.059 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.653 -8.268 -5.309 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.113 -7.332 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.890 -5.881 -2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.502 -6.275 -3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.249 -7.603 -1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.168 -9.156 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.725 -8.521 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.491 -4.149 -3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.642 -5.353 -5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.051 -4.953 -3.992 1.00 0.00 H new ATOM 1162 N PHE A 88 -0.297 -7.688 -5.449 1.00 0.00 N ATOM 1163 CA PHE A 88 1.094 -7.272 -5.630 1.00 0.00 C ATOM 1164 C PHE A 88 1.184 -5.823 -6.074 1.00 0.00 C ATOM 1165 O PHE A 88 0.479 -5.394 -6.985 1.00 0.00 O ATOM 1166 CB PHE A 88 1.802 -8.160 -6.663 1.00 0.00 C ATOM 1167 CG PHE A 88 0.881 -8.904 -7.599 1.00 0.00 C ATOM 1168 CD1 PHE A 88 -0.016 -8.228 -8.418 1.00 0.00 C ATOM 1169 CD2 PHE A 88 0.923 -10.287 -7.659 1.00 0.00 C ATOM 1170 CE1 PHE A 88 -0.852 -8.922 -9.272 1.00 0.00 C ATOM 1171 CE2 PHE A 88 0.087 -10.983 -8.513 1.00 0.00 C ATOM 1172 CZ PHE A 88 -0.801 -10.301 -9.318 1.00 0.00 C ATOM 0 H PHE A 88 -0.819 -7.757 -6.322 1.00 0.00 H new ATOM 0 HA PHE A 88 1.588 -7.377 -4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.474 -7.539 -7.255 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.421 -8.884 -6.134 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.060 -7.149 -8.387 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.616 -10.828 -7.032 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.545 -8.386 -9.903 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.130 -12.062 -8.549 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.455 -10.845 -9.983 1.00 0.00 H new ATOM 1181 N LEU A 89 2.052 -5.079 -5.410 1.00 0.00 N ATOM 1182 CA LEU A 89 2.288 -3.677 -5.726 1.00 0.00 C ATOM 1183 C LEU A 89 3.734 -3.454 -6.112 1.00 0.00 C ATOM 1184 O LEU A 89 4.539 -3.030 -5.283 1.00 0.00 O ATOM 1185 CB LEU A 89 1.943 -2.794 -4.527 1.00 0.00 C ATOM 1186 CG LEU A 89 0.499 -2.331 -4.456 1.00 0.00 C ATOM 1187 CD1 LEU A 89 0.188 -1.367 -5.583 1.00 0.00 C ATOM 1188 CD2 LEU A 89 -0.430 -3.502 -4.513 1.00 0.00 C ATOM 0 H LEU A 89 2.615 -5.429 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 89 1.648 -3.409 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.177 -3.342 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.588 -1.916 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 89 0.356 -1.814 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.852 -1.048 -5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.840 -0.497 -5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.352 -1.862 -6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.461 -3.152 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.277 -4.042 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.230 -4.167 -3.672 1.00 0.00 H new ATOM 1199 N ASP A 90 4.069 -3.805 -7.355 1.00 0.00 N ATOM 1200 CA ASP A 90 5.421 -3.621 -7.895 1.00 0.00 C ATOM 1201 C ASP A 90 6.396 -4.572 -7.196 1.00 0.00 C ATOM 1202 O ASP A 90 7.559 -4.689 -7.572 1.00 0.00 O ATOM 1203 CB ASP A 90 5.856 -2.154 -7.737 1.00 0.00 C ATOM 1204 CG ASP A 90 7.082 -1.789 -8.549 1.00 0.00 C ATOM 1205 OD1 ASP A 90 7.325 -2.423 -9.598 1.00 0.00 O ATOM 1206 OD2 ASP A 90 7.785 -0.831 -8.162 1.00 0.00 O ATOM 0 H ASP A 90 3.414 -4.224 -8.015 1.00 0.00 H new ATOM 0 HA ASP A 90 5.423 -3.859 -8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.030 -1.506 -8.032 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.057 -1.956 -6.684 1.00 0.00 H new ATOM 1210 N ASP A 91 5.861 -5.254 -6.176 1.00 0.00 N ATOM 1211 CA ASP A 91 6.559 -6.253 -5.364 1.00 0.00 C ATOM 1212 C ASP A 91 7.985 -5.846 -5.002 1.00 0.00 C ATOM 1213 O ASP A 91 8.858 -6.696 -4.839 1.00 0.00 O ATOM 1214 CB ASP A 91 6.541 -7.642 -6.032 1.00 0.00 C ATOM 1215 CG ASP A 91 7.360 -7.745 -7.311 1.00 0.00 C ATOM 1216 OD1 ASP A 91 8.556 -8.097 -7.234 1.00 0.00 O ATOM 1217 OD2 ASP A 91 6.796 -7.517 -8.404 1.00 0.00 O ATOM 0 H ASP A 91 4.893 -5.119 -5.884 1.00 0.00 H new ATOM 0 HA ASP A 91 6.003 -6.312 -4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.913 -8.378 -5.319 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.508 -7.909 -6.256 1.00 0.00 H new ATOM 1221 N VAL A 92 8.220 -4.557 -4.823 1.00 0.00 N ATOM 1222 CA VAL A 92 9.556 -4.103 -4.493 1.00 0.00 C ATOM 1223 C VAL A 92 9.538 -2.909 -3.542 1.00 0.00 C ATOM 1224 O VAL A 92 10.573 -2.329 -3.263 1.00 0.00 O ATOM 1225 CB VAL A 92 10.345 -3.748 -5.773 1.00 0.00 C ATOM 1226 CG1 VAL A 92 9.891 -2.419 -6.362 1.00 0.00 C ATOM 1227 CG2 VAL A 92 11.843 -3.751 -5.508 1.00 0.00 C ATOM 0 H VAL A 92 7.518 -3.821 -4.899 1.00 0.00 H new ATOM 0 HA VAL A 92 10.055 -4.927 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 92 10.133 -4.519 -6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 92 10.469 -2.203 -7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.832 -2.476 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 92 10.047 -1.625 -5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.375 -3.498 -6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 92 12.078 -3.016 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.151 -4.741 -5.171 1.00 0.00 H new ATOM 1237 N THR A 93 8.372 -2.552 -3.020 1.00 0.00 N ATOM 1238 CA THR A 93 8.286 -1.385 -2.142 1.00 0.00 C ATOM 1239 C THR A 93 7.677 -1.724 -0.780 1.00 0.00 C ATOM 1240 O THR A 93 7.848 -0.984 0.189 1.00 0.00 O ATOM 1241 CB THR A 93 7.456 -0.244 -2.784 1.00 0.00 C ATOM 1242 OG1 THR A 93 6.180 -0.147 -2.141 1.00 0.00 O ATOM 1243 CG2 THR A 93 7.239 -0.461 -4.285 1.00 0.00 C ATOM 0 H THR A 93 7.490 -3.038 -3.182 1.00 0.00 H new ATOM 0 HA THR A 93 9.314 -1.052 -1.996 1.00 0.00 H new ATOM 0 HB THR A 93 8.022 0.678 -2.651 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.473 -0.118 -2.819 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.653 0.363 -4.691 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.204 -0.503 -4.790 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.706 -1.398 -4.444 1.00 0.00 H new ATOM 1251 N VAL A 94 6.963 -2.834 -0.705 1.00 0.00 N ATOM 1252 CA VAL A 94 6.225 -3.176 0.509 1.00 0.00 C ATOM 1253 C VAL A 94 6.887 -4.355 1.209 1.00 0.00 C ATOM 1254 O VAL A 94 7.518 -5.174 0.558 1.00 0.00 O ATOM 1255 CB VAL A 94 4.762 -3.548 0.184 1.00 0.00 C ATOM 1256 CG1 VAL A 94 3.879 -3.386 1.411 1.00 0.00 C ATOM 1257 CG2 VAL A 94 4.231 -2.726 -0.980 1.00 0.00 C ATOM 0 H VAL A 94 6.876 -3.512 -1.462 1.00 0.00 H new ATOM 0 HA VAL A 94 6.234 -2.302 1.160 1.00 0.00 H new ATOM 0 HB VAL A 94 4.741 -4.596 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.853 -3.653 1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.239 -4.038 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.911 -2.350 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.199 -3.010 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.272 -1.667 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.841 -2.911 -1.864 1.00 0.00 H new ATOM 1267 N SER A 95 6.738 -4.453 2.523 1.00 0.00 N ATOM 1268 CA SER A 95 7.314 -5.562 3.278 1.00 0.00 C ATOM 1269 C SER A 95 6.476 -6.819 3.099 1.00 0.00 C ATOM 1270 O SER A 95 5.862 -7.308 4.049 1.00 0.00 O ATOM 1271 CB SER A 95 7.416 -5.195 4.758 1.00 0.00 C ATOM 1272 OG SER A 95 8.225 -4.045 4.933 1.00 0.00 O ATOM 0 H SER A 95 6.224 -3.779 3.090 1.00 0.00 H new ATOM 0 HA SER A 95 8.316 -5.760 2.897 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.420 -5.011 5.162 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.837 -6.031 5.317 1.00 0.00 H new ATOM 0 HG SER A 95 8.277 -3.824 5.886 1.00 0.00 H new ATOM 1277 N ARG A 96 6.466 -7.328 1.864 1.00 0.00 N ATOM 1278 CA ARG A 96 5.619 -8.456 1.467 1.00 0.00 C ATOM 1279 C ARG A 96 4.141 -8.065 1.489 1.00 0.00 C ATOM 1280 O ARG A 96 3.439 -8.197 0.492 1.00 0.00 O ATOM 1281 CB ARG A 96 5.864 -9.677 2.356 1.00 0.00 C ATOM 1282 CG ARG A 96 5.530 -11.001 1.691 1.00 0.00 C ATOM 1283 CD ARG A 96 4.033 -11.209 1.501 1.00 0.00 C ATOM 1284 NE ARG A 96 3.714 -12.562 1.059 1.00 0.00 N ATOM 1285 CZ ARG A 96 3.955 -13.674 1.769 1.00 0.00 C ATOM 1286 NH1 ARG A 96 4.565 -13.600 2.946 1.00 0.00 N ATOM 1287 NH2 ARG A 96 3.595 -14.859 1.287 1.00 0.00 N ATOM 0 H ARG A 96 7.048 -6.967 1.108 1.00 0.00 H new ATOM 0 HA ARG A 96 5.888 -8.724 0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.911 -9.688 2.660 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.269 -9.578 3.264 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.024 -11.049 0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.931 -11.816 2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.518 -11.005 2.440 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.659 -10.493 0.770 1.00 0.00 H new ATOM 0 HE ARG A 96 3.276 -12.670 0.144 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.853 -12.694 3.315 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.745 -14.449 3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.136 -14.922 0.378 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.778 -15.706 1.826 1.00 0.00 H new ATOM 1298 N ARG A 97 3.663 -7.599 2.621 1.00 0.00 N ATOM 1299 CA ARG A 97 2.304 -7.112 2.711 1.00 0.00 C ATOM 1300 C ARG A 97 2.212 -5.965 3.696 1.00 0.00 C ATOM 1301 O ARG A 97 2.963 -5.882 4.664 1.00 0.00 O ATOM 1302 CB ARG A 97 1.327 -8.228 3.124 1.00 0.00 C ATOM 1303 CG ARG A 97 1.430 -8.636 4.587 1.00 0.00 C ATOM 1304 CD ARG A 97 2.321 -9.848 4.788 1.00 0.00 C ATOM 1305 NE ARG A 97 1.645 -11.086 4.410 1.00 0.00 N ATOM 1306 CZ ARG A 97 2.081 -12.304 4.722 1.00 0.00 C ATOM 1307 NH1 ARG A 97 3.233 -12.461 5.368 1.00 0.00 N ATOM 1308 NH2 ARG A 97 1.369 -13.366 4.373 1.00 0.00 N ATOM 0 H ARG A 97 4.193 -7.547 3.491 1.00 0.00 H new ATOM 0 HA ARG A 97 2.021 -6.760 1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.308 -7.897 2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.508 -9.103 2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.821 -7.801 5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 97 0.434 -8.853 4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.229 -9.734 4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.627 -9.905 5.833 1.00 0.00 H new ATOM 0 HE ARG A 97 0.782 -11.012 3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.788 -11.645 5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.562 -13.397 5.604 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.491 -13.248 3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.699 -14.302 4.610 1.00 0.00 H new ATOM 1319 N HIS A 98 1.312 -5.058 3.386 1.00 0.00 N ATOM 1320 CA HIS A 98 0.933 -3.996 4.290 1.00 0.00 C ATOM 1321 C HIS A 98 -0.222 -4.483 5.116 1.00 0.00 C ATOM 1322 O HIS A 98 -0.308 -4.238 6.313 1.00 0.00 O ATOM 1323 CB HIS A 98 0.537 -2.745 3.482 1.00 0.00 C ATOM 1324 CG HIS A 98 -0.917 -2.360 3.571 1.00 0.00 C ATOM 1325 ND1 HIS A 98 -1.378 -1.438 4.473 1.00 0.00 N ATOM 1326 CD2 HIS A 98 -2.010 -2.781 2.874 1.00 0.00 C ATOM 1327 CE1 HIS A 98 -2.677 -1.294 4.334 1.00 0.00 C ATOM 1328 NE2 HIS A 98 -3.092 -2.093 3.369 1.00 0.00 N ATOM 0 H HIS A 98 0.819 -5.037 2.493 1.00 0.00 H new ATOM 0 HA HIS A 98 1.764 -3.727 4.942 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.141 -1.905 3.824 1.00 0.00 H new ATOM 0 HB3 HIS A 98 0.789 -2.913 2.435 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -0.801 -0.939 5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -2.023 -3.516 2.083 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -3.302 -0.631 4.914 1.00 0.00 H new ATOM 1336 N ALA A 99 -1.107 -5.175 4.440 1.00 0.00 N ATOM 1337 CA ALA A 99 -2.274 -5.702 5.059 1.00 0.00 C ATOM 1338 C ALA A 99 -2.701 -6.937 4.348 1.00 0.00 C ATOM 1339 O ALA A 99 -2.572 -7.039 3.135 1.00 0.00 O ATOM 1340 CB ALA A 99 -3.408 -4.695 5.072 1.00 0.00 C ATOM 0 H ALA A 99 -1.028 -5.383 3.444 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.029 -5.936 6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.281 -5.136 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.100 -3.807 5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.660 -4.417 4.048 1.00 0.00 H new ATOM 1346 N GLU A 100 -3.169 -7.879 5.101 1.00 0.00 N ATOM 1347 CA GLU A 100 -3.811 -9.017 4.525 1.00 0.00 C ATOM 1348 C GLU A 100 -5.284 -8.937 4.837 1.00 0.00 C ATOM 1349 O GLU A 100 -5.686 -8.814 5.997 1.00 0.00 O ATOM 1350 CB GLU A 100 -3.137 -10.318 4.983 1.00 0.00 C ATOM 1351 CG GLU A 100 -2.703 -10.327 6.437 1.00 0.00 C ATOM 1352 CD GLU A 100 -1.702 -11.428 6.722 1.00 0.00 C ATOM 1353 OE1 GLU A 100 -2.122 -12.550 7.058 1.00 0.00 O ATOM 1354 OE2 GLU A 100 -0.487 -11.177 6.604 1.00 0.00 O ATOM 0 H GLU A 100 -3.119 -7.883 6.120 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.706 -9.020 3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.826 -11.146 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.264 -10.500 4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.263 -9.362 6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.577 -10.457 7.076 1.00 0.00 H new ATOM 1359 N PHE A 101 -6.059 -8.907 3.758 1.00 0.00 N ATOM 1360 CA PHE A 101 -7.486 -8.725 3.805 1.00 0.00 C ATOM 1361 C PHE A 101 -8.072 -9.773 4.710 1.00 0.00 C ATOM 1362 O PHE A 101 -8.142 -10.942 4.368 1.00 0.00 O ATOM 1363 CB PHE A 101 -8.058 -8.801 2.377 1.00 0.00 C ATOM 1364 CG PHE A 101 -9.325 -9.604 2.255 1.00 0.00 C ATOM 1365 CD1 PHE A 101 -10.494 -9.200 2.872 1.00 0.00 C ATOM 1366 CD2 PHE A 101 -9.330 -10.776 1.520 1.00 0.00 C ATOM 1367 CE1 PHE A 101 -11.642 -9.953 2.755 1.00 0.00 C ATOM 1368 CE2 PHE A 101 -10.472 -11.527 1.401 1.00 0.00 C ATOM 1369 CZ PHE A 101 -11.630 -11.116 2.019 1.00 0.00 C ATOM 0 H PHE A 101 -5.694 -9.012 2.811 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.745 -7.745 4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.249 -7.789 2.021 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.304 -9.233 1.719 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.508 -8.288 3.450 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.423 -11.104 1.034 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.551 -9.631 3.241 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -10.462 -12.439 0.823 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.530 -11.706 1.927 1.00 0.00 H new ATOM 1378 N ARG A 102 -8.435 -9.364 5.889 1.00 0.00 N ATOM 1379 CA ARG A 102 -8.936 -10.298 6.834 1.00 0.00 C ATOM 1380 C ARG A 102 -10.458 -10.304 6.791 1.00 0.00 C ATOM 1381 O ARG A 102 -11.089 -9.344 7.232 1.00 0.00 O ATOM 1382 CB ARG A 102 -8.457 -9.943 8.240 1.00 0.00 C ATOM 1383 CG ARG A 102 -8.620 -11.075 9.234 1.00 0.00 C ATOM 1384 CD ARG A 102 -7.699 -12.226 8.883 1.00 0.00 C ATOM 1385 NE ARG A 102 -6.311 -11.776 8.790 1.00 0.00 N ATOM 1386 CZ ARG A 102 -5.258 -12.579 8.915 1.00 0.00 C ATOM 1387 NH1 ARG A 102 -5.426 -13.891 9.022 1.00 0.00 N ATOM 1388 NH2 ARG A 102 -4.034 -12.070 8.917 1.00 0.00 N ATOM 0 H ARG A 102 -8.392 -8.397 6.211 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.563 -11.290 6.580 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.406 -9.656 8.196 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.010 -9.074 8.596 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.399 -10.718 10.240 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.655 -11.418 9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.782 -13.007 9.639 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.007 -12.667 7.935 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.140 -10.785 8.619 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.366 -14.288 9.009 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.615 -14.503 9.118 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.900 -11.063 8.823 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.226 -12.685 9.013 1.00 0.00 H new ATOM 1399 N LEU A 103 -11.052 -11.349 6.241 1.00 0.00 N ATOM 1400 CA LEU A 103 -12.498 -11.441 6.228 1.00 0.00 C ATOM 1401 C LEU A 103 -12.981 -12.138 7.490 1.00 0.00 C ATOM 1402 O LEU A 103 -12.806 -13.344 7.659 1.00 0.00 O ATOM 1403 CB LEU A 103 -13.002 -12.166 4.974 1.00 0.00 C ATOM 1404 CG LEU A 103 -14.518 -12.055 4.710 1.00 0.00 C ATOM 1405 CD1 LEU A 103 -14.828 -12.321 3.249 1.00 0.00 C ATOM 1406 CD2 LEU A 103 -15.301 -13.013 5.585 1.00 0.00 C ATOM 0 H LEU A 103 -10.564 -12.132 5.805 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.907 -10.431 6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.470 -11.772 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.741 -13.221 5.055 1.00 0.00 H new ATOM 0 HG LEU A 103 -14.821 -11.038 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -15.902 -12.238 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.308 -11.592 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.497 -13.325 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -16.366 -12.910 5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.987 -14.036 5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -15.114 -12.783 6.634 1.00 0.00 H new ATOM 1417 N GLU A 104 -13.565 -11.361 8.382 1.00 0.00 N ATOM 1418 CA GLU A 104 -14.152 -11.892 9.598 1.00 0.00 C ATOM 1419 C GLU A 104 -15.572 -11.378 9.728 1.00 0.00 C ATOM 1420 O GLU A 104 -15.834 -10.211 9.439 1.00 0.00 O ATOM 1421 CB GLU A 104 -13.328 -11.496 10.826 1.00 0.00 C ATOM 1422 CG GLU A 104 -11.898 -12.008 10.784 1.00 0.00 C ATOM 1423 CD GLU A 104 -11.190 -11.882 12.113 1.00 0.00 C ATOM 1424 OE1 GLU A 104 -10.565 -10.830 12.369 1.00 0.00 O ATOM 1425 OE2 GLU A 104 -11.247 -12.840 12.910 1.00 0.00 O ATOM 0 H GLU A 104 -13.646 -10.349 8.285 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.159 -12.981 9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.315 -10.409 10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.817 -11.879 11.722 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.901 -13.054 10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.341 -11.455 10.027 1.00 0.00 H new ATOM 1430 N ASN A 105 -16.486 -12.258 10.128 1.00 0.00 N ATOM 1431 CA ASN A 105 -17.908 -11.922 10.232 1.00 0.00 C ATOM 1432 C ASN A 105 -18.435 -11.426 8.888 1.00 0.00 C ATOM 1433 O ASN A 105 -19.305 -10.553 8.828 1.00 0.00 O ATOM 1434 CB ASN A 105 -18.158 -10.869 11.322 1.00 0.00 C ATOM 1435 CG ASN A 105 -17.585 -11.266 12.669 1.00 0.00 C ATOM 1436 OD1 ASN A 105 -18.198 -12.026 13.422 1.00 0.00 O ATOM 1437 ND2 ASN A 105 -16.421 -10.725 12.998 1.00 0.00 N ATOM 0 H ASN A 105 -16.266 -13.219 10.388 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.445 -12.828 10.513 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.719 -9.921 11.011 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.231 -10.706 11.423 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -16.000 -10.933 13.903 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -15.946 -10.101 12.346 1.00 0.00 H new ATOM 1443 N ASN A 106 -17.885 -12.002 7.817 1.00 0.00 N ATOM 1444 CA ASN A 106 -18.241 -11.646 6.441 1.00 0.00 C ATOM 1445 C ASN A 106 -17.924 -10.179 6.151 1.00 0.00 C ATOM 1446 O ASN A 106 -18.633 -9.508 5.401 1.00 0.00 O ATOM 1447 CB ASN A 106 -19.718 -11.935 6.175 1.00 0.00 C ATOM 1448 CG ASN A 106 -20.035 -12.139 4.701 1.00 0.00 C ATOM 1449 OD1 ASN A 106 -19.332 -11.654 3.819 1.00 0.00 O ATOM 1450 ND2 ASN A 106 -21.113 -12.856 4.429 1.00 0.00 N ATOM 0 H ASN A 106 -17.176 -12.733 7.880 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.640 -12.261 5.771 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -20.012 -12.826 6.730 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -20.317 -11.109 6.558 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -21.384 -13.022 3.460 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -21.673 -13.243 5.189 1.00 0.00 H new ATOM 1456 N GLU A 107 -16.868 -9.672 6.764 1.00 0.00 N ATOM 1457 CA GLU A 107 -16.422 -8.326 6.490 1.00 0.00 C ATOM 1458 C GLU A 107 -14.962 -8.317 6.079 1.00 0.00 C ATOM 1459 O GLU A 107 -14.130 -8.974 6.702 1.00 0.00 O ATOM 1460 CB GLU A 107 -16.611 -7.433 7.714 1.00 0.00 C ATOM 1461 CG GLU A 107 -18.060 -7.255 8.137 1.00 0.00 C ATOM 1462 CD GLU A 107 -18.197 -6.428 9.399 1.00 0.00 C ATOM 1463 OE1 GLU A 107 -17.960 -6.974 10.498 1.00 0.00 O ATOM 1464 OE2 GLU A 107 -18.539 -5.231 9.300 1.00 0.00 O ATOM 0 H GLU A 107 -16.308 -10.175 7.452 1.00 0.00 H new ATOM 0 HA GLU A 107 -17.025 -7.937 5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -16.050 -7.855 8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -16.182 -6.453 7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -18.615 -6.776 7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -18.512 -8.234 8.297 1.00 0.00 H new ATOM 1469 N PHE A 108 -14.653 -7.567 5.034 1.00 0.00 N ATOM 1470 CA PHE A 108 -13.284 -7.456 4.558 1.00 0.00 C ATOM 1471 C PHE A 108 -12.573 -6.345 5.320 1.00 0.00 C ATOM 1472 O PHE A 108 -13.018 -5.198 5.312 1.00 0.00 O ATOM 1473 CB PHE A 108 -13.245 -7.186 3.040 1.00 0.00 C ATOM 1474 CG PHE A 108 -14.485 -7.638 2.305 1.00 0.00 C ATOM 1475 CD1 PHE A 108 -14.600 -8.937 1.821 1.00 0.00 C ATOM 1476 CD2 PHE A 108 -15.539 -6.759 2.098 1.00 0.00 C ATOM 1477 CE1 PHE A 108 -15.737 -9.345 1.151 1.00 0.00 C ATOM 1478 CE2 PHE A 108 -16.677 -7.165 1.429 1.00 0.00 C ATOM 1479 CZ PHE A 108 -16.776 -8.457 0.956 1.00 0.00 C ATOM 0 H PHE A 108 -15.332 -7.026 4.499 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.771 -8.401 4.737 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.106 -6.118 2.875 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.378 -7.690 2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -13.790 -9.635 1.971 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.468 -5.746 2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -15.813 -10.357 0.780 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -17.490 -6.471 1.276 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.666 -8.774 0.433 1.00 0.00 H new ATOM 1488 N ASN A 109 -11.498 -6.696 6.012 1.00 0.00 N ATOM 1489 CA ASN A 109 -10.726 -5.725 6.787 1.00 0.00 C ATOM 1490 C ASN A 109 -9.282 -5.727 6.315 1.00 0.00 C ATOM 1491 O ASN A 109 -8.838 -6.690 5.696 1.00 0.00 O ATOM 1492 CB ASN A 109 -10.738 -6.052 8.292 1.00 0.00 C ATOM 1493 CG ASN A 109 -12.078 -5.841 8.982 1.00 0.00 C ATOM 1494 OD1 ASN A 109 -13.165 -6.240 8.343 1.00 0.00 O flip ATOM 1495 ND2 ASN A 109 -12.127 -5.360 10.114 1.00 0.00 N flip ATOM 0 H ASN A 109 -11.137 -7.649 6.055 1.00 0.00 H new ATOM 0 HA ASN A 109 -11.187 -4.749 6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -10.436 -7.091 8.426 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -9.989 -5.436 8.789 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -11.269 -5.062 10.579 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -13.025 -5.259 10.587 1.00 0.00 H new ATOM 1501 N VAL A 110 -8.542 -4.660 6.595 1.00 0.00 N ATOM 1502 CA VAL A 110 -7.119 -4.665 6.299 1.00 0.00 C ATOM 1503 C VAL A 110 -6.311 -4.763 7.574 1.00 0.00 C ATOM 1504 O VAL A 110 -6.506 -3.992 8.506 1.00 0.00 O ATOM 1505 CB VAL A 110 -6.673 -3.430 5.478 1.00 0.00 C ATOM 1506 CG1 VAL A 110 -7.659 -3.190 4.372 1.00 0.00 C ATOM 1507 CG2 VAL A 110 -6.512 -2.173 6.320 1.00 0.00 C ATOM 0 H VAL A 110 -8.895 -3.801 7.016 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.932 -5.544 5.682 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.687 -3.652 5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.350 -2.321 3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.698 -4.065 3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.646 -3.009 4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -6.198 -1.346 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -7.463 -1.927 6.792 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.759 -2.344 7.089 1.00 0.00 H new ATOM 1517 N VAL A 111 -5.407 -5.716 7.610 1.00 0.00 N ATOM 1518 CA VAL A 111 -4.554 -5.897 8.775 1.00 0.00 C ATOM 1519 C VAL A 111 -3.189 -5.288 8.528 1.00 0.00 C ATOM 1520 O VAL A 111 -2.413 -5.816 7.737 1.00 0.00 O ATOM 1521 CB VAL A 111 -4.366 -7.394 9.105 1.00 0.00 C ATOM 1522 CG1 VAL A 111 -3.105 -7.610 9.939 1.00 0.00 C ATOM 1523 CG2 VAL A 111 -5.592 -7.938 9.824 1.00 0.00 C ATOM 0 H VAL A 111 -5.240 -6.378 6.852 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.042 -5.401 9.614 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.248 -7.941 8.169 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.992 -8.671 10.160 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.236 -7.261 9.381 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.186 -7.052 10.872 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.443 -8.994 10.049 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.744 -7.387 10.752 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.469 -7.823 9.186 1.00 0.00 H new ATOM 1533 N ASP A 112 -2.879 -4.207 9.227 1.00 0.00 N ATOM 1534 CA ASP A 112 -1.570 -3.591 9.078 1.00 0.00 C ATOM 1535 C ASP A 112 -0.546 -4.418 9.831 1.00 0.00 C ATOM 1536 O ASP A 112 -0.597 -4.524 11.056 1.00 0.00 O ATOM 1537 CB ASP A 112 -1.542 -2.151 9.587 1.00 0.00 C ATOM 1538 CG ASP A 112 -0.130 -1.583 9.593 1.00 0.00 C ATOM 1539 OD1 ASP A 112 0.590 -1.759 8.586 1.00 0.00 O ATOM 1540 OD2 ASP A 112 0.264 -0.951 10.593 1.00 0.00 O ATOM 0 H ASP A 112 -3.502 -3.746 9.890 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.334 -3.561 8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -2.181 -1.531 8.959 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -1.954 -2.114 10.596 1.00 0.00 H new ATOM 1544 N VAL A 113 0.366 -5.015 9.095 1.00 0.00 N ATOM 1545 CA VAL A 113 1.373 -5.877 9.687 1.00 0.00 C ATOM 1546 C VAL A 113 2.713 -5.175 9.719 1.00 0.00 C ATOM 1547 O VAL A 113 3.607 -5.535 10.487 1.00 0.00 O ATOM 1548 CB VAL A 113 1.521 -7.197 8.914 1.00 0.00 C ATOM 1549 CG1 VAL A 113 0.262 -8.040 9.037 1.00 0.00 C ATOM 1550 CG2 VAL A 113 1.839 -6.932 7.455 1.00 0.00 C ATOM 0 H VAL A 113 0.433 -4.921 8.082 1.00 0.00 H new ATOM 0 HA VAL A 113 1.044 -6.104 10.701 1.00 0.00 H new ATOM 0 HB VAL A 113 2.350 -7.753 9.352 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.391 -8.969 8.482 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.077 -8.267 10.087 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.586 -7.489 8.631 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.940 -7.880 6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.033 -6.350 7.007 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.773 -6.375 7.382 1.00 0.00 H new ATOM 1560 N GLY A 114 2.837 -4.168 8.882 1.00 0.00 N ATOM 1561 CA GLY A 114 4.064 -3.433 8.799 1.00 0.00 C ATOM 1562 C GLY A 114 4.610 -3.379 7.391 1.00 0.00 C ATOM 1563 O GLY A 114 5.340 -4.274 6.966 1.00 0.00 O ATOM 0 H GLY A 114 2.101 -3.846 8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.901 -2.418 9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 114 4.804 -3.891 9.455 1.00 0.00 H new ATOM 1567 N SER A 115 4.238 -2.338 6.667 1.00 0.00 N ATOM 1568 CA SER A 115 4.770 -2.096 5.336 1.00 0.00 C ATOM 1569 C SER A 115 6.135 -1.447 5.474 1.00 0.00 C ATOM 1570 O SER A 115 6.450 -0.939 6.552 1.00 0.00 O ATOM 1571 CB SER A 115 3.839 -1.160 4.570 1.00 0.00 C ATOM 1572 OG SER A 115 2.500 -1.331 4.984 1.00 0.00 O ATOM 0 H SER A 115 3.563 -1.641 6.982 1.00 0.00 H new ATOM 0 HA SER A 115 4.852 -3.037 4.793 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.144 -0.126 4.730 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.921 -1.354 3.501 1.00 0.00 H new ATOM 0 HG SER A 115 2.237 -0.582 5.558 1.00 0.00 H new ATOM 1577 N LEU A 116 6.962 -1.457 4.433 1.00 0.00 N ATOM 1578 CA LEU A 116 8.236 -0.768 4.551 1.00 0.00 C ATOM 1579 C LEU A 116 8.044 0.734 4.799 1.00 0.00 C ATOM 1580 O LEU A 116 8.553 1.266 5.788 1.00 0.00 O ATOM 1581 CB LEU A 116 9.098 -0.991 3.328 1.00 0.00 C ATOM 1582 CG LEU A 116 10.482 -0.372 3.437 1.00 0.00 C ATOM 1583 CD1 LEU A 116 11.255 -0.974 4.605 1.00 0.00 C ATOM 1584 CD2 LEU A 116 11.231 -0.564 2.149 1.00 0.00 C ATOM 0 H LEU A 116 6.783 -1.913 3.538 1.00 0.00 H new ATOM 0 HA LEU A 116 8.748 -1.192 5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.201 -2.063 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.591 -0.576 2.456 1.00 0.00 H new ATOM 0 HG LEU A 116 10.373 0.696 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.242 -0.516 4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.714 -0.789 5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.362 -2.048 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.222 -0.118 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.329 -1.629 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.686 -0.084 1.336 1.00 0.00 H new ATOM 1595 N ASN A 117 7.304 1.415 3.921 1.00 0.00 N ATOM 1596 CA ASN A 117 7.021 2.836 4.123 1.00 0.00 C ATOM 1597 C ASN A 117 6.085 3.026 5.317 1.00 0.00 C ATOM 1598 O ASN A 117 6.228 3.966 6.096 1.00 0.00 O ATOM 1599 CB ASN A 117 6.334 3.443 2.905 1.00 0.00 C ATOM 1600 CG ASN A 117 4.923 2.915 2.735 1.00 0.00 C ATOM 1601 OD1 ASN A 117 4.683 1.714 2.865 1.00 0.00 O ATOM 1602 ND2 ASN A 117 3.975 3.801 2.484 1.00 0.00 N ATOM 0 H ASN A 117 6.896 1.013 3.077 1.00 0.00 H new ATOM 0 HA ASN A 117 7.977 3.330 4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.307 4.528 3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.916 3.221 2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.005 3.498 2.391 1.00 0.00 H new ATOM 0 HD22 ASN A 117 4.213 4.788 2.383 1.00 0.00 H new ATOM 1608 N GLY A 118 5.135 2.102 5.453 1.00 0.00 N ATOM 1609 CA GLY A 118 4.087 2.231 6.437 1.00 0.00 C ATOM 1610 C GLY A 118 2.688 2.085 5.837 1.00 0.00 C ATOM 1611 O GLY A 118 2.513 2.003 4.598 1.00 0.00 O ATOM 0 H GLY A 118 5.079 1.256 4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.226 1.475 7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.169 3.203 6.923 1.00 0.00 H new ATOM 1615 N THR A 119 1.708 1.988 6.731 1.00 0.00 N ATOM 1616 CA THR A 119 0.296 1.955 6.379 1.00 0.00 C ATOM 1617 C THR A 119 -0.419 3.221 6.851 1.00 0.00 C ATOM 1618 O THR A 119 -0.211 3.673 7.977 1.00 0.00 O ATOM 1619 CB THR A 119 -0.396 0.734 7.014 1.00 0.00 C ATOM 1620 OG1 THR A 119 0.104 -0.470 6.427 1.00 0.00 O ATOM 1621 CG2 THR A 119 -1.909 0.794 6.854 1.00 0.00 C ATOM 0 H THR A 119 1.878 1.929 7.735 1.00 0.00 H new ATOM 0 HA THR A 119 0.236 1.889 5.293 1.00 0.00 H new ATOM 0 HB THR A 119 -0.172 0.746 8.081 1.00 0.00 H new ATOM 0 HG1 THR A 119 0.109 -1.184 7.098 1.00 0.00 H new ATOM 0 HG21 THR A 119 -2.359 -0.085 7.315 1.00 0.00 H new ATOM 0 HG22 THR A 119 -2.291 1.693 7.338 1.00 0.00 H new ATOM 0 HG23 THR A 119 -2.162 0.817 5.794 1.00 0.00 H new ATOM 1629 N TYR A 120 -1.267 3.779 6.002 1.00 0.00 N ATOM 1630 CA TYR A 120 -2.119 4.890 6.401 1.00 0.00 C ATOM 1631 C TYR A 120 -3.523 4.707 5.841 1.00 0.00 C ATOM 1632 O TYR A 120 -3.753 4.907 4.653 1.00 0.00 O ATOM 1633 CB TYR A 120 -1.538 6.227 5.926 1.00 0.00 C ATOM 1634 CG TYR A 120 -0.421 6.763 6.793 1.00 0.00 C ATOM 1635 CD1 TYR A 120 0.895 6.368 6.600 1.00 0.00 C ATOM 1636 CD2 TYR A 120 -0.689 7.676 7.804 1.00 0.00 C ATOM 1637 CE1 TYR A 120 1.909 6.866 7.390 1.00 0.00 C ATOM 1638 CE2 TYR A 120 0.320 8.181 8.597 1.00 0.00 C ATOM 1639 CZ TYR A 120 1.618 7.772 8.386 1.00 0.00 C ATOM 1640 OH TYR A 120 2.630 8.273 9.174 1.00 0.00 O ATOM 0 H TYR A 120 -1.384 3.482 5.033 1.00 0.00 H new ATOM 0 HA TYR A 120 -2.167 4.903 7.490 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -1.167 6.107 4.908 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.339 6.965 5.888 1.00 0.00 H new ATOM 0 HD1 TYR A 120 1.128 5.660 5.819 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -1.706 7.997 7.973 1.00 0.00 H new ATOM 0 HE1 TYR A 120 2.928 6.547 7.229 1.00 0.00 H new ATOM 0 HE2 TYR A 120 0.094 8.892 9.378 1.00 0.00 H new ATOM 0 HH TYR A 120 2.256 8.901 9.827 1.00 0.00 H new ATOM 1649 N VAL A 121 -4.461 4.322 6.692 1.00 0.00 N ATOM 1650 CA VAL A 121 -5.842 4.153 6.265 1.00 0.00 C ATOM 1651 C VAL A 121 -6.602 5.440 6.553 1.00 0.00 C ATOM 1652 O VAL A 121 -6.904 5.743 7.701 1.00 0.00 O ATOM 1653 CB VAL A 121 -6.515 2.955 6.987 1.00 0.00 C ATOM 1654 CG1 VAL A 121 -7.935 2.717 6.496 1.00 0.00 C ATOM 1655 CG2 VAL A 121 -5.693 1.699 6.796 1.00 0.00 C ATOM 0 H VAL A 121 -4.293 4.121 7.678 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.860 3.939 5.196 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.565 3.204 8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -8.367 1.870 7.028 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -8.538 3.606 6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -7.920 2.504 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.176 0.867 7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.613 1.474 5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.696 1.850 7.210 1.00 0.00 H new ATOM 1665 N ASN A 122 -6.894 6.195 5.500 1.00 0.00 N ATOM 1666 CA ASN A 122 -7.517 7.513 5.631 1.00 0.00 C ATOM 1667 C ASN A 122 -6.667 8.419 6.527 1.00 0.00 C ATOM 1668 O ASN A 122 -7.190 9.134 7.384 1.00 0.00 O ATOM 1669 CB ASN A 122 -8.947 7.389 6.178 1.00 0.00 C ATOM 1670 CG ASN A 122 -9.782 6.415 5.367 1.00 0.00 C ATOM 1671 OD1 ASN A 122 -9.758 5.155 5.772 1.00 0.00 O flip ATOM 1672 ND2 ASN A 122 -10.435 6.791 4.390 1.00 0.00 N flip ATOM 0 H ASN A 122 -6.708 5.916 4.537 1.00 0.00 H new ATOM 0 HA ASN A 122 -7.575 7.966 4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -8.911 7.059 7.216 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -9.424 8.369 6.171 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -10.423 7.773 4.116 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -10.987 6.120 3.857 1.00 0.00 H new ATOM 1678 N ARG A 123 -5.345 8.364 6.306 1.00 0.00 N ATOM 1679 CA ARG A 123 -4.354 9.153 7.054 1.00 0.00 C ATOM 1680 C ARG A 123 -4.076 8.593 8.451 1.00 0.00 C ATOM 1681 O ARG A 123 -3.178 9.078 9.138 1.00 0.00 O ATOM 1682 CB ARG A 123 -4.752 10.632 7.173 1.00 0.00 C ATOM 1683 CG ARG A 123 -4.250 11.527 6.047 1.00 0.00 C ATOM 1684 CD ARG A 123 -4.926 11.225 4.722 1.00 0.00 C ATOM 1685 NE ARG A 123 -4.218 10.210 3.944 1.00 0.00 N ATOM 1686 CZ ARG A 123 -4.724 9.625 2.863 1.00 0.00 C ATOM 1687 NH1 ARG A 123 -5.969 9.886 2.486 1.00 0.00 N ATOM 1688 NH2 ARG A 123 -3.988 8.773 2.172 1.00 0.00 N ATOM 0 H ARG A 123 -4.929 7.763 5.594 1.00 0.00 H new ATOM 0 HA ARG A 123 -3.439 9.079 6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -5.839 10.698 7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -4.375 11.019 8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.424 12.570 6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -3.173 11.401 5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -5.946 10.888 4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -4.995 12.142 4.137 1.00 0.00 H new ATOM 0 HE ARG A 123 -3.284 9.935 4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -6.540 10.537 3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -6.356 9.436 1.656 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -3.034 8.566 2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -4.373 8.322 1.342 1.00 0.00 H new ATOM 1699 N GLU A 124 -4.825 7.586 8.886 1.00 0.00 N ATOM 1700 CA GLU A 124 -4.585 7.008 10.203 1.00 0.00 C ATOM 1701 C GLU A 124 -4.215 5.528 10.102 1.00 0.00 C ATOM 1702 O GLU A 124 -4.924 4.731 9.490 1.00 0.00 O ATOM 1703 CB GLU A 124 -5.793 7.208 11.128 1.00 0.00 C ATOM 1704 CG GLU A 124 -7.085 6.587 10.627 1.00 0.00 C ATOM 1705 CD GLU A 124 -8.235 6.780 11.594 1.00 0.00 C ATOM 1706 OE1 GLU A 124 -8.325 6.012 12.573 1.00 0.00 O ATOM 1707 OE2 GLU A 124 -9.054 7.702 11.387 1.00 0.00 O ATOM 0 H GLU A 124 -5.588 7.160 8.359 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.737 7.535 10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -5.559 6.787 12.106 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -5.951 8.277 11.271 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -7.346 7.027 9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -6.931 5.521 10.459 1.00 0.00 H new ATOM 1712 N PRO A 125 -3.056 5.155 10.658 1.00 0.00 N ATOM 1713 CA PRO A 125 -2.620 3.766 10.709 1.00 0.00 C ATOM 1714 C PRO A 125 -3.505 2.930 11.631 1.00 0.00 C ATOM 1715 O PRO A 125 -3.652 3.244 12.815 1.00 0.00 O ATOM 1716 CB PRO A 125 -1.191 3.842 11.265 1.00 0.00 C ATOM 1717 CG PRO A 125 -0.798 5.275 11.159 1.00 0.00 C ATOM 1718 CD PRO A 125 -2.071 6.061 11.245 1.00 0.00 C ATOM 0 HA PRO A 125 -2.675 3.287 9.731 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.154 3.500 12.299 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -0.514 3.206 10.695 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.114 5.552 11.961 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.282 5.469 10.219 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -2.320 6.315 12.275 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -2.005 6.998 10.693 1.00 0.00 H new ATOM 1723 N VAL A 126 -4.085 1.867 11.094 1.00 0.00 N ATOM 1724 CA VAL A 126 -5.002 1.027 11.858 1.00 0.00 C ATOM 1725 C VAL A 126 -4.393 -0.346 12.113 1.00 0.00 C ATOM 1726 O VAL A 126 -3.303 -0.640 11.633 1.00 0.00 O ATOM 1727 CB VAL A 126 -6.355 0.848 11.127 1.00 0.00 C ATOM 1728 CG1 VAL A 126 -7.019 2.196 10.882 1.00 0.00 C ATOM 1729 CG2 VAL A 126 -6.168 0.088 9.817 1.00 0.00 C ATOM 0 H VAL A 126 -3.938 1.563 10.131 1.00 0.00 H new ATOM 0 HA VAL A 126 -5.179 1.533 12.807 1.00 0.00 H new ATOM 0 HB VAL A 126 -7.011 0.259 11.768 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -7.968 2.046 10.367 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -7.198 2.692 11.836 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -6.367 2.816 10.267 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -7.132 -0.026 9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -5.490 0.642 9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -5.748 -0.896 10.024 1.00 0.00 H new ATOM 1739 N ASP A 127 -5.097 -1.174 12.869 1.00 0.00 N ATOM 1740 CA ASP A 127 -4.679 -2.553 13.083 1.00 0.00 C ATOM 1741 C ASP A 127 -5.411 -3.455 12.099 1.00 0.00 C ATOM 1742 O ASP A 127 -4.810 -4.304 11.441 1.00 0.00 O ATOM 1743 CB ASP A 127 -4.971 -2.980 14.527 1.00 0.00 C ATOM 1744 CG ASP A 127 -4.622 -4.432 14.796 1.00 0.00 C ATOM 1745 OD1 ASP A 127 -3.422 -4.782 14.763 1.00 0.00 O ATOM 1746 OD2 ASP A 127 -5.544 -5.233 15.065 1.00 0.00 O ATOM 0 H ASP A 127 -5.961 -0.916 13.345 1.00 0.00 H new ATOM 0 HA ASP A 127 -3.605 -2.638 12.917 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -4.408 -2.344 15.210 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -6.028 -2.820 14.741 1.00 0.00 H new ATOM 1750 N SER A 128 -6.712 -3.228 11.986 1.00 0.00 N ATOM 1751 CA SER A 128 -7.563 -3.957 11.061 1.00 0.00 C ATOM 1752 C SER A 128 -8.862 -3.183 10.874 1.00 0.00 C ATOM 1753 O SER A 128 -9.703 -3.134 11.769 1.00 0.00 O ATOM 1754 CB SER A 128 -7.826 -5.372 11.581 1.00 0.00 C ATOM 1755 OG SER A 128 -8.500 -6.162 10.616 1.00 0.00 O ATOM 0 H SER A 128 -7.208 -2.528 12.538 1.00 0.00 H new ATOM 0 HA SER A 128 -7.067 -4.053 10.095 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.880 -5.846 11.845 1.00 0.00 H new ATOM 0 HB3 SER A 128 -8.422 -5.321 12.492 1.00 0.00 H new ATOM 0 HG SER A 128 -8.652 -7.060 10.977 1.00 0.00 H new ATOM 1760 N ALA A 129 -8.998 -2.543 9.720 1.00 0.00 N ATOM 1761 CA ALA A 129 -10.137 -1.672 9.458 1.00 0.00 C ATOM 1762 C ALA A 129 -11.052 -2.262 8.395 1.00 0.00 C ATOM 1763 O ALA A 129 -10.585 -2.774 7.376 1.00 0.00 O ATOM 1764 CB ALA A 129 -9.655 -0.295 9.027 1.00 0.00 C ATOM 0 H ALA A 129 -8.333 -2.611 8.949 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.709 -1.580 10.381 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.514 0.347 8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -9.046 0.142 9.819 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.059 -0.386 8.119 1.00 0.00 H new ATOM 1770 N VAL A 130 -12.352 -2.188 8.648 1.00 0.00 N ATOM 1771 CA VAL A 130 -13.354 -2.678 7.711 1.00 0.00 C ATOM 1772 C VAL A 130 -13.402 -1.790 6.473 1.00 0.00 C ATOM 1773 O VAL A 130 -13.485 -0.566 6.581 1.00 0.00 O ATOM 1774 CB VAL A 130 -14.758 -2.707 8.359 1.00 0.00 C ATOM 1775 CG1 VAL A 130 -15.769 -3.374 7.436 1.00 0.00 C ATOM 1776 CG2 VAL A 130 -14.717 -3.407 9.708 1.00 0.00 C ATOM 0 H VAL A 130 -12.740 -1.789 9.503 1.00 0.00 H new ATOM 0 HA VAL A 130 -13.071 -3.692 7.429 1.00 0.00 H new ATOM 0 HB VAL A 130 -15.075 -1.677 8.520 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.748 -3.382 7.914 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -15.827 -2.820 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -15.456 -4.398 7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.716 -3.415 10.144 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -14.371 -4.432 9.576 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -14.035 -2.877 10.373 1.00 0.00 H new ATOM 1786 N LEU A 131 -13.330 -2.413 5.303 1.00 0.00 N ATOM 1787 CA LEU A 131 -13.420 -1.702 4.039 1.00 0.00 C ATOM 1788 C LEU A 131 -14.777 -1.039 3.852 1.00 0.00 C ATOM 1789 O LEU A 131 -15.766 -1.438 4.472 1.00 0.00 O ATOM 1790 CB LEU A 131 -13.170 -2.653 2.879 1.00 0.00 C ATOM 1791 CG LEU A 131 -11.709 -2.860 2.503 1.00 0.00 C ATOM 1792 CD1 LEU A 131 -10.928 -1.565 2.693 1.00 0.00 C ATOM 1793 CD2 LEU A 131 -11.083 -3.995 3.296 1.00 0.00 C ATOM 0 H LEU A 131 -13.208 -3.421 5.206 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.657 -0.924 4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -13.604 -3.622 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -13.703 -2.279 2.004 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.668 -3.141 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -9.885 -1.726 2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.353 -0.787 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -10.987 -1.254 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -10.040 -4.113 3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -11.135 -3.767 4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -11.624 -4.920 3.096 1.00 0.00 H new ATOM 1804 N ALA A 132 -14.824 -0.049 2.963 1.00 0.00 N ATOM 1805 CA ALA A 132 -16.042 0.689 2.708 1.00 0.00 C ATOM 1806 C ALA A 132 -15.948 1.416 1.376 1.00 0.00 C ATOM 1807 O ALA A 132 -14.855 1.749 0.923 1.00 0.00 O ATOM 1808 CB ALA A 132 -16.302 1.675 3.833 1.00 0.00 C ATOM 0 H ALA A 132 -14.024 0.256 2.409 1.00 0.00 H new ATOM 0 HA ALA A 132 -16.875 -0.013 2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -17.221 2.225 3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -16.403 1.135 4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -15.469 2.375 3.903 1.00 0.00 H new ATOM 1814 N ASN A 133 -17.097 1.646 0.755 1.00 0.00 N ATOM 1815 CA ASN A 133 -17.156 2.308 -0.544 1.00 0.00 C ATOM 1816 C ASN A 133 -16.651 3.740 -0.427 1.00 0.00 C ATOM 1817 O ASN A 133 -17.333 4.607 0.120 1.00 0.00 O ATOM 1818 CB ASN A 133 -18.600 2.288 -1.075 1.00 0.00 C ATOM 1819 CG ASN A 133 -18.731 2.782 -2.509 1.00 0.00 C ATOM 1820 OD1 ASN A 133 -17.974 3.630 -2.972 1.00 0.00 O ATOM 1821 ND2 ASN A 133 -19.705 2.243 -3.227 1.00 0.00 N ATOM 0 H ASN A 133 -18.007 1.382 1.132 1.00 0.00 H new ATOM 0 HA ASN A 133 -16.516 1.773 -1.246 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -18.986 1.271 -1.014 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -19.224 2.905 -0.429 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -19.844 2.531 -4.196 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -20.316 1.540 -2.811 1.00 0.00 H new ATOM 1827 N GLY A 134 -15.440 3.975 -0.921 1.00 0.00 N ATOM 1828 CA GLY A 134 -14.870 5.306 -0.876 1.00 0.00 C ATOM 1829 C GLY A 134 -13.759 5.429 0.145 1.00 0.00 C ATOM 1830 O GLY A 134 -13.228 6.519 0.362 1.00 0.00 O ATOM 0 H GLY A 134 -14.845 3.267 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -14.483 5.565 -1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -15.655 6.026 -0.642 1.00 0.00 H new ATOM 1834 N ASP A 135 -13.410 4.313 0.773 1.00 0.00 N ATOM 1835 CA ASP A 135 -12.352 4.302 1.778 1.00 0.00 C ATOM 1836 C ASP A 135 -10.994 4.204 1.093 1.00 0.00 C ATOM 1837 O ASP A 135 -10.822 3.418 0.161 1.00 0.00 O ATOM 1838 CB ASP A 135 -12.540 3.127 2.744 1.00 0.00 C ATOM 1839 CG ASP A 135 -11.709 3.273 4.004 1.00 0.00 C ATOM 1840 OD1 ASP A 135 -10.528 2.888 3.994 1.00 0.00 O ATOM 1841 OD2 ASP A 135 -12.243 3.782 5.014 1.00 0.00 O ATOM 0 H ASP A 135 -13.843 3.405 0.605 1.00 0.00 H new ATOM 0 HA ASP A 135 -12.401 5.229 2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -13.593 3.048 3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -12.270 2.199 2.240 1.00 0.00 H new ATOM 1845 N GLU A 136 -10.034 4.996 1.551 1.00 0.00 N ATOM 1846 CA GLU A 136 -8.734 5.077 0.898 1.00 0.00 C ATOM 1847 C GLU A 136 -7.598 4.726 1.866 1.00 0.00 C ATOM 1848 O GLU A 136 -7.550 5.206 2.999 1.00 0.00 O ATOM 1849 CB GLU A 136 -8.559 6.475 0.289 1.00 0.00 C ATOM 1850 CG GLU A 136 -7.123 6.893 0.028 1.00 0.00 C ATOM 1851 CD GLU A 136 -7.040 8.271 -0.588 1.00 0.00 C ATOM 1852 OE1 GLU A 136 -7.103 8.377 -1.829 1.00 0.00 O ATOM 1853 OE2 GLU A 136 -6.932 9.260 0.170 1.00 0.00 O ATOM 0 H GLU A 136 -10.131 5.592 2.373 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.690 4.341 0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -9.109 6.515 -0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -9.017 7.204 0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -6.565 6.880 0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -6.649 6.170 -0.636 1.00 0.00 H new ATOM 1858 N VAL A 137 -6.679 3.889 1.392 1.00 0.00 N ATOM 1859 CA VAL A 137 -5.600 3.352 2.217 1.00 0.00 C ATOM 1860 C VAL A 137 -4.260 3.548 1.521 1.00 0.00 C ATOM 1861 O VAL A 137 -4.163 3.422 0.306 1.00 0.00 O ATOM 1862 CB VAL A 137 -5.787 1.834 2.490 1.00 0.00 C ATOM 1863 CG1 VAL A 137 -4.751 1.321 3.488 1.00 0.00 C ATOM 1864 CG2 VAL A 137 -7.198 1.534 2.980 1.00 0.00 C ATOM 0 H VAL A 137 -6.661 3.564 0.425 1.00 0.00 H new ATOM 0 HA VAL A 137 -5.623 3.890 3.165 1.00 0.00 H new ATOM 0 HB VAL A 137 -5.637 1.310 1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -4.907 0.256 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.750 1.481 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -4.856 1.859 4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.300 0.464 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -7.386 2.080 3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -7.919 1.843 2.223 1.00 0.00 H new ATOM 1874 N GLN A 138 -3.239 3.876 2.288 1.00 0.00 N ATOM 1875 CA GLN A 138 -1.885 3.931 1.768 1.00 0.00 C ATOM 1876 C GLN A 138 -1.129 2.660 2.123 1.00 0.00 C ATOM 1877 O GLN A 138 -1.101 2.252 3.288 1.00 0.00 O ATOM 1878 CB GLN A 138 -1.122 5.127 2.337 1.00 0.00 C ATOM 1879 CG GLN A 138 0.311 5.216 1.828 1.00 0.00 C ATOM 1880 CD GLN A 138 0.386 5.655 0.389 1.00 0.00 C ATOM 1881 OE1 GLN A 138 1.413 5.205 -0.299 1.00 0.00 O flip ATOM 1882 NE2 GLN A 138 -0.461 6.393 -0.102 1.00 0.00 N flip ATOM 0 H GLN A 138 -3.321 4.109 3.278 1.00 0.00 H new ATOM 0 HA GLN A 138 -1.956 4.033 0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.651 6.044 2.079 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -1.112 5.060 3.425 1.00 0.00 H new ATOM 0 HG2 GLN A 138 0.870 5.917 2.448 1.00 0.00 H new ATOM 0 HG3 GLN A 138 0.792 4.243 1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -1.243 6.720 0.465 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -0.384 6.680 -1.078 1.00 0.00 H new ATOM 1889 N ILE A 139 -0.532 2.033 1.123 1.00 0.00 N ATOM 1890 CA ILE A 139 0.373 0.924 1.362 1.00 0.00 C ATOM 1891 C ILE A 139 1.610 1.089 0.513 1.00 0.00 C ATOM 1892 O ILE A 139 1.510 1.532 -0.627 1.00 0.00 O ATOM 1893 CB ILE A 139 -0.261 -0.478 1.094 1.00 0.00 C ATOM 1894 CG1 ILE A 139 0.360 -1.218 -0.107 1.00 0.00 C ATOM 1895 CG2 ILE A 139 -1.766 -0.398 0.927 1.00 0.00 C ATOM 1896 CD1 ILE A 139 -0.235 -0.852 -1.447 1.00 0.00 C ATOM 0 H ILE A 139 -0.658 2.273 0.140 1.00 0.00 H new ATOM 0 HA ILE A 139 0.621 0.953 2.423 1.00 0.00 H new ATOM 0 HB ILE A 139 -0.033 -1.062 1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 139 1.430 -1.011 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 139 0.246 -2.291 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -2.165 -1.395 0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -2.212 0.009 1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -2.005 0.250 0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 139 0.262 -1.420 -2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -1.300 -1.085 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -0.097 0.214 -1.627 1.00 0.00 H new ATOM 1907 N GLY A 140 2.771 0.807 1.090 1.00 0.00 N ATOM 1908 CA GLY A 140 3.972 0.635 0.276 1.00 0.00 C ATOM 1909 C GLY A 140 4.522 1.938 -0.272 1.00 0.00 C ATOM 1910 O GLY A 140 5.611 2.358 0.094 1.00 0.00 O ATOM 0 H GLY A 140 2.909 0.694 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.741 0.148 0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.746 -0.033 -0.555 1.00 0.00 H new ATOM 1914 N LYS A 141 3.791 2.536 -1.196 1.00 0.00 N ATOM 1915 CA LYS A 141 4.074 3.869 -1.686 1.00 0.00 C ATOM 1916 C LYS A 141 2.986 4.284 -2.676 1.00 0.00 C ATOM 1917 O LYS A 141 3.117 5.267 -3.392 1.00 0.00 O ATOM 1918 CB LYS A 141 5.481 3.935 -2.307 1.00 0.00 C ATOM 1919 CG LYS A 141 5.780 2.848 -3.321 1.00 0.00 C ATOM 1920 CD LYS A 141 7.240 2.860 -3.770 1.00 0.00 C ATOM 1921 CE LYS A 141 7.588 4.092 -4.588 1.00 0.00 C ATOM 1922 NZ LYS A 141 8.837 3.902 -5.376 1.00 0.00 N ATOM 0 H LYS A 141 2.976 2.103 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 141 4.066 4.575 -0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 141 5.605 4.905 -2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 141 6.219 3.879 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 141 5.543 1.876 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 141 5.134 2.977 -4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 141 7.886 2.816 -2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 141 7.442 1.967 -4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 141 6.764 4.323 -5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 141 7.705 4.948 -3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 9.039 4.765 -5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 9.628 3.706 -4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 8.717 3.102 -6.029 1.00 0.00 H new ATOM 1932 N PHE A 142 1.871 3.555 -2.623 1.00 0.00 N ATOM 1933 CA PHE A 142 0.786 3.670 -3.597 1.00 0.00 C ATOM 1934 C PHE A 142 -0.487 4.139 -2.900 1.00 0.00 C ATOM 1935 O PHE A 142 -0.696 3.836 -1.729 1.00 0.00 O ATOM 1936 CB PHE A 142 0.509 2.301 -4.243 1.00 0.00 C ATOM 1937 CG PHE A 142 1.736 1.448 -4.385 1.00 0.00 C ATOM 1938 CD1 PHE A 142 2.321 0.881 -3.267 1.00 0.00 C ATOM 1939 CD2 PHE A 142 2.302 1.208 -5.624 1.00 0.00 C ATOM 1940 CE1 PHE A 142 3.446 0.099 -3.378 1.00 0.00 C ATOM 1941 CE2 PHE A 142 3.430 0.424 -5.740 1.00 0.00 C ATOM 1942 CZ PHE A 142 4.003 -0.128 -4.617 1.00 0.00 C ATOM 0 H PHE A 142 1.694 2.862 -1.896 1.00 0.00 H new ATOM 0 HA PHE A 142 1.083 4.388 -4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -0.228 1.767 -3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 142 0.067 2.455 -5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 142 1.888 1.055 -2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 142 1.856 1.639 -6.508 1.00 0.00 H new ATOM 0 HE1 PHE A 142 3.892 -0.336 -2.496 1.00 0.00 H new ATOM 0 HE2 PHE A 142 3.864 0.243 -6.712 1.00 0.00 H new ATOM 0 HZ PHE A 142 4.889 -0.739 -4.707 1.00 0.00 H new ATOM 1951 N ARG A 143 -1.333 4.857 -3.620 1.00 0.00 N ATOM 1952 CA ARG A 143 -2.614 5.302 -3.080 1.00 0.00 C ATOM 1953 C ARG A 143 -3.692 4.286 -3.432 1.00 0.00 C ATOM 1954 O ARG A 143 -3.810 3.902 -4.589 1.00 0.00 O ATOM 1955 CB ARG A 143 -2.980 6.662 -3.672 1.00 0.00 C ATOM 1956 CG ARG A 143 -4.184 7.310 -3.023 1.00 0.00 C ATOM 1957 CD ARG A 143 -4.751 8.420 -3.891 1.00 0.00 C ATOM 1958 NE ARG A 143 -3.722 9.341 -4.388 1.00 0.00 N ATOM 1959 CZ ARG A 143 -3.890 10.659 -4.448 1.00 0.00 C ATOM 1960 NH1 ARG A 143 -4.965 11.213 -3.914 1.00 0.00 N ATOM 1961 NH2 ARG A 143 -2.978 11.422 -5.026 1.00 0.00 N ATOM 0 H ARG A 143 -1.158 5.146 -4.582 1.00 0.00 H new ATOM 0 HA ARG A 143 -2.537 5.392 -1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -2.124 7.331 -3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.174 6.543 -4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -4.952 6.557 -2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -3.902 7.714 -2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.276 7.979 -4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -5.488 8.982 -3.317 1.00 0.00 H new ATOM 0 HE ARG A 143 -2.834 8.951 -4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -5.665 10.630 -3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -5.094 12.224 -3.960 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -2.141 11.000 -5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -3.111 12.432 -5.069 1.00 0.00 H new ATOM 1972 N LEU A 144 -4.462 3.843 -2.445 1.00 0.00 N ATOM 1973 CA LEU A 144 -5.490 2.829 -2.672 1.00 0.00 C ATOM 1974 C LEU A 144 -6.854 3.305 -2.227 1.00 0.00 C ATOM 1975 O LEU A 144 -6.968 4.126 -1.330 1.00 0.00 O ATOM 1976 CB LEU A 144 -5.191 1.547 -1.897 1.00 0.00 C ATOM 1977 CG LEU A 144 -3.907 0.822 -2.260 1.00 0.00 C ATOM 1978 CD1 LEU A 144 -2.696 1.513 -1.667 1.00 0.00 C ATOM 1979 CD2 LEU A 144 -3.986 -0.617 -1.800 1.00 0.00 C ATOM 0 H LEU A 144 -4.396 4.168 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 144 -5.486 2.639 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -5.158 1.790 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -6.024 0.859 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 144 -3.793 0.843 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -1.794 0.969 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -2.637 2.533 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -2.785 1.535 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -3.063 -1.134 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -4.124 -0.646 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -4.828 -1.109 -2.287 1.00 0.00 H new ATOM 1990 N VAL A 145 -7.884 2.770 -2.858 1.00 0.00 N ATOM 1991 CA VAL A 145 -9.255 2.976 -2.421 1.00 0.00 C ATOM 1992 C VAL A 145 -10.058 1.689 -2.597 1.00 0.00 C ATOM 1993 O VAL A 145 -9.858 0.947 -3.552 1.00 0.00 O ATOM 1994 CB VAL A 145 -9.949 4.146 -3.166 1.00 0.00 C ATOM 1995 CG1 VAL A 145 -9.159 4.568 -4.388 1.00 0.00 C ATOM 1996 CG2 VAL A 145 -11.367 3.770 -3.558 1.00 0.00 C ATOM 0 H VAL A 145 -7.795 2.181 -3.686 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.220 3.247 -1.366 1.00 0.00 H new ATOM 0 HB VAL A 145 -9.990 4.993 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -9.672 5.390 -4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -8.164 4.893 -4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -9.071 3.725 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -11.834 4.606 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -11.345 2.900 -4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -11.942 3.534 -2.662 1.00 0.00 H new ATOM 2006 N PHE A 146 -10.961 1.431 -1.672 1.00 0.00 N ATOM 2007 CA PHE A 146 -11.792 0.238 -1.730 1.00 0.00 C ATOM 2008 C PHE A 146 -13.183 0.542 -2.258 1.00 0.00 C ATOM 2009 O PHE A 146 -13.809 1.525 -1.858 1.00 0.00 O ATOM 2010 CB PHE A 146 -11.911 -0.400 -0.350 1.00 0.00 C ATOM 2011 CG PHE A 146 -12.978 -1.460 -0.279 1.00 0.00 C ATOM 2012 CD1 PHE A 146 -12.701 -2.766 -0.624 1.00 0.00 C ATOM 2013 CD2 PHE A 146 -14.262 -1.140 0.130 1.00 0.00 C ATOM 2014 CE1 PHE A 146 -13.680 -3.733 -0.562 1.00 0.00 C ATOM 2015 CE2 PHE A 146 -15.245 -2.104 0.194 1.00 0.00 C ATOM 2016 CZ PHE A 146 -14.954 -3.403 -0.152 1.00 0.00 C ATOM 0 H PHE A 146 -11.141 2.032 -0.867 1.00 0.00 H new ATOM 0 HA PHE A 146 -11.305 -0.454 -2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -10.952 -0.839 -0.076 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -12.128 0.375 0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -11.706 -3.034 -0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -14.496 -0.121 0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -13.449 -4.752 -0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -16.242 -1.840 0.515 1.00 0.00 H new ATOM 0 HZ PHE A 146 -15.721 -4.162 -0.103 1.00 0.00 H new ATOM 2025 N LEU A 147 -13.661 -0.329 -3.142 1.00 0.00 N ATOM 2026 CA LEU A 147 -15.042 -0.296 -3.599 1.00 0.00 C ATOM 2027 C LEU A 147 -15.646 -1.689 -3.498 1.00 0.00 C ATOM 2028 O LEU A 147 -14.941 -2.692 -3.627 1.00 0.00 O ATOM 2029 CB LEU A 147 -15.165 0.201 -5.050 1.00 0.00 C ATOM 2030 CG LEU A 147 -14.782 1.663 -5.302 1.00 0.00 C ATOM 2031 CD1 LEU A 147 -15.299 2.558 -4.186 1.00 0.00 C ATOM 2032 CD2 LEU A 147 -13.279 1.808 -5.472 1.00 0.00 C ATOM 0 H LEU A 147 -13.103 -1.074 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 147 -15.579 0.404 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -14.540 -0.430 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -16.195 0.056 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 147 -15.254 1.983 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -15.015 3.591 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -16.385 2.484 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -14.868 2.241 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -13.032 2.855 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -12.776 1.465 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -12.949 1.208 -6.320 1.00 0.00 H new