USER MOD reduce.3.24.130724 H: found=0, std=0, add=1426, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1422 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 NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : B 94 ZNZN :(H bumps) USER MOD NoAdj-H: B 85 HIS HE2 : B 85 HIS NE2 : A 94 ZNZN :(H bumps) USER MOD Set 1.1: A 74 MET CE :methyl -155:sc= -0.794 (180deg=-3.54!) USER MOD Set 1.2: B 74 MET CE :methyl -155:sc= -0.915 (180deg=-3.81!) USER MOD Set 2.1: B 29 LYS NZ :NH3+ -162:sc=-0.00876 (180deg=-0.405) USER MOD Set 2.2: B 57 MET CE :methyl 179:sc= -0.694 (180deg=-0.707) USER MOD Set 3.1: B 15 HIS : no HE2:sc= -1.96 X(o=-7.7,f=-8.2) USER MOD Set 3.2: B 25 HIS : no HD1:sc= -5.79! C(o=-7.7!,f=-8.2!) USER MOD Set 4.1: A 81 THR OG1 : rot 75:sc= 0.27 USER MOD Set 4.2: B 7 MET CE :methyl -161:sc= -0.0453 (180deg=-0.795) USER MOD Set 5.1: A 29 LYS NZ :NH3+ -160:sc=-0.00987 (180deg=-0.494) USER MOD Set 5.2: A 57 MET CE :methyl -178:sc= -0.82 (180deg=-0.834) USER MOD Set 6.1: A 15 HIS : no HE2:sc= -2.07 K(o=-7.5,f=-8.3) USER MOD Set 6.2: A 25 HIS : no HD1:sc= -5.44! C(o=-7.5!,f=-8.3!) USER MOD Set 7.1: A 7 MET CE :methyl -162:sc= -0.136 (180deg=-0.909) USER MOD Set 7.2: B 81 THR OG1 : rot 67:sc= 0.259 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -147:sc= -0.0804 (180deg=-0.793) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.506 K(o=-0.51,f=-1.2) USER MOD Single : A 17 TYR OH : rot 30:sc= -0.22 USER MOD Single : A 18 SER OG : rot 179:sc= -3.69! USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.085 (180deg=-0.561) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -102:sc= -0.813 (180deg=-2.53!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.28) USER MOD Single : A 38 ASN : amide:sc= -0.397 X(o=-0.4,f=0.077) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.145) USER MOD Single : A 50 GLN : amide:sc= -0.932 K(o=-0.93,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 65:sc= -1.36! USER MOD Single : A 71 GLN : amide:sc= -9.83! C(o=-9.8!,f=-9.7!) USER MOD Single : A 78 SER OG : rot 139:sc= -0.018 USER MOD Single : A 79 MET CE :methyl 180:sc= -0.0849 (180deg=-0.0849) USER MOD Single : A 82 THR OG1 : rot -90:sc= -0.683! USER MOD Single : A 84 CYS SG : rot -23:sc= 0.611 USER MOD Single : A 90 HIS : no HE2:sc= -0.337 K(o=-0.34,f=-1.7) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -147:sc= -0.0942 (180deg=-0.809) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.453 K(o=-0.45,f=-1.2) USER MOD Single : B 17 TYR OH : rot 30:sc= -0.304 USER MOD Single : B 18 SER OG : rot 170:sc= -4.02! USER MOD Single : B 24 LYS NZ :NH3+ 161:sc= -0.011 (180deg=-0.302) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -106:sc= -0.868 (180deg=-2.63!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -1 K(o=-1,f=-0.21) USER MOD Single : B 38 ASN : amide:sc= -0.386 K(o=-0.39,f=0.12) USER MOD Single : B 41 SER OG : rot 180:sc= -0.0147 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0954) USER MOD Single : B 50 GLN : amide:sc= -1.04! K(o=-1!,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 180:sc= -0.0093 USER MOD Single : B 68 CYS SG : rot 73:sc= -1.59! USER MOD Single : B 71 GLN : amide:sc= -10! C(o=-10!,f=-9.8!) USER MOD Single : B 78 SER OG : rot 139:sc= -0.132 USER MOD Single : B 79 MET CE :methyl 180:sc= -0.0184 (180deg=-0.0184) USER MOD Single : B 82 THR OG1 : rot -82:sc= -0.575 USER MOD Single : B 84 CYS SG : rot -24:sc= 0.753 USER MOD Single : B 90 HIS : no HE2:sc= -0.349 K(o=-0.35,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -12.023 1.382 16.140 1.00 0.00 N ATOM 2 CA MET A 0 -10.835 2.274 16.009 1.00 0.00 C ATOM 3 C MET A 0 -10.411 2.352 14.542 1.00 0.00 C ATOM 4 O MET A 0 -10.898 1.623 13.700 1.00 0.00 O ATOM 5 CB MET A 0 -9.675 1.716 16.838 1.00 0.00 C ATOM 6 CG MET A 0 -10.135 1.488 18.277 1.00 0.00 C ATOM 7 SD MET A 0 -10.638 3.069 19.000 1.00 0.00 S ATOM 8 CE MET A 0 -10.995 2.464 20.666 1.00 0.00 C ATOM 0 H1 MET A 0 -12.631 1.725 16.911 1.00 0.00 H new ATOM 0 H2 MET A 0 -12.559 1.385 15.249 1.00 0.00 H new ATOM 0 H3 MET A 0 -11.708 0.414 16.351 1.00 0.00 H new ATOM 0 HA MET A 0 -11.095 3.269 16.369 1.00 0.00 H new ATOM 0 HB2 MET A 0 -9.323 0.779 16.405 1.00 0.00 H new ATOM 0 HB3 MET A 0 -8.835 2.410 16.820 1.00 0.00 H new ATOM 0 HG2 MET A 0 -10.967 0.784 18.298 1.00 0.00 H new ATOM 0 HG3 MET A 0 -9.329 1.047 18.863 1.00 0.00 H new ATOM 0 HE1 MET A 0 -11.328 3.293 21.290 1.00 0.00 H new ATOM 0 HE2 MET A 0 -11.779 1.708 20.618 1.00 0.00 H new ATOM 0 HE3 MET A 0 -10.094 2.026 21.095 1.00 0.00 H new ATOM 20 N SER A 1 -9.503 3.237 14.232 1.00 0.00 N ATOM 21 CA SER A 1 -9.035 3.380 12.821 1.00 0.00 C ATOM 22 C SER A 1 -7.777 2.530 12.609 1.00 0.00 C ATOM 23 O SER A 1 -6.674 3.037 12.545 1.00 0.00 O ATOM 24 CB SER A 1 -8.714 4.848 12.548 1.00 0.00 C ATOM 25 OG SER A 1 -9.746 5.663 13.087 1.00 0.00 O ATOM 0 H SER A 1 -9.062 3.871 14.898 1.00 0.00 H new ATOM 0 HA SER A 1 -9.815 3.042 12.139 1.00 0.00 H new ATOM 0 HB2 SER A 1 -7.756 5.112 12.995 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.623 5.019 11.475 1.00 0.00 H new ATOM 0 HG SER A 1 -9.542 6.606 12.915 1.00 0.00 H new ATOM 31 N GLU A 2 -7.944 1.241 12.491 1.00 0.00 N ATOM 32 CA GLU A 2 -6.761 0.352 12.278 1.00 0.00 C ATOM 33 C GLU A 2 -5.903 0.929 11.152 1.00 0.00 C ATOM 34 O GLU A 2 -4.695 0.818 11.151 1.00 0.00 O ATOM 35 CB GLU A 2 -7.211 -1.061 11.890 1.00 0.00 C ATOM 36 CG GLU A 2 -7.818 -1.753 13.111 1.00 0.00 C ATOM 37 CD GLU A 2 -8.275 -3.160 12.731 1.00 0.00 C ATOM 38 OE1 GLU A 2 -8.844 -3.310 11.661 1.00 0.00 O ATOM 39 OE2 GLU A 2 -8.048 -4.068 13.514 1.00 0.00 O ATOM 0 H GLU A 2 -8.845 0.764 12.532 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.189 0.297 13.204 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.943 -1.013 11.084 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.363 -1.635 11.517 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.084 -1.803 13.915 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.662 -1.175 13.486 1.00 0.00 H new ATOM 46 N LEU A 3 -6.526 1.551 10.194 1.00 0.00 N ATOM 47 CA LEU A 3 -5.764 2.137 9.061 1.00 0.00 C ATOM 48 C LEU A 3 -4.927 3.330 9.553 1.00 0.00 C ATOM 49 O LEU A 3 -3.962 3.716 8.921 1.00 0.00 O ATOM 50 CB LEU A 3 -6.773 2.587 7.970 1.00 0.00 C ATOM 51 CG LEU A 3 -6.598 1.786 6.662 1.00 0.00 C ATOM 52 CD1 LEU A 3 -5.298 2.214 5.964 1.00 0.00 C ATOM 53 CD2 LEU A 3 -6.586 0.262 6.937 1.00 0.00 C ATOM 0 H LEU A 3 -7.537 1.679 10.147 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.082 1.397 8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.790 2.460 8.341 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.638 3.649 7.766 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.445 1.999 6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.177 1.647 5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.342 3.278 5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.451 2.021 6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.461 -0.276 5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.761 0.020 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.528 -0.031 7.401 1.00 0.00 H new ATOM 65 N GLU A 4 -5.262 3.903 10.675 1.00 0.00 N ATOM 66 CA GLU A 4 -4.445 5.044 11.177 1.00 0.00 C ATOM 67 C GLU A 4 -3.128 4.482 11.696 1.00 0.00 C ATOM 68 O GLU A 4 -2.109 5.142 11.690 1.00 0.00 O ATOM 69 CB GLU A 4 -5.184 5.776 12.302 1.00 0.00 C ATOM 70 CG GLU A 4 -4.303 6.895 12.867 1.00 0.00 C ATOM 71 CD GLU A 4 -5.081 7.672 13.930 1.00 0.00 C ATOM 72 OE1 GLU A 4 -6.298 7.694 13.849 1.00 0.00 O ATOM 73 OE2 GLU A 4 -4.444 8.235 14.804 1.00 0.00 O ATOM 0 H GLU A 4 -6.054 3.636 11.259 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.265 5.759 10.374 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.117 6.193 11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.446 5.074 13.093 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.396 6.474 13.301 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.992 7.566 12.066 1.00 0.00 H new ATOM 80 N LYS A 5 -3.147 3.253 12.128 1.00 0.00 N ATOM 81 CA LYS A 5 -1.898 2.619 12.633 1.00 0.00 C ATOM 82 C LYS A 5 -0.958 2.437 11.447 1.00 0.00 C ATOM 83 O LYS A 5 0.213 2.753 11.502 1.00 0.00 O ATOM 84 CB LYS A 5 -2.198 1.231 13.247 1.00 0.00 C ATOM 85 CG LYS A 5 -3.518 1.230 14.038 1.00 0.00 C ATOM 86 CD LYS A 5 -3.380 2.041 15.343 1.00 0.00 C ATOM 87 CE LYS A 5 -4.721 2.698 15.680 1.00 0.00 C ATOM 88 NZ LYS A 5 -4.594 3.466 16.953 1.00 0.00 N ATOM 0 H LYS A 5 -3.976 2.659 12.153 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.454 3.250 13.403 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.249 0.486 12.453 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.379 0.940 13.905 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.314 1.653 13.425 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.806 0.205 14.271 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.068 1.388 16.158 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.608 2.802 15.231 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.026 3.362 14.871 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.496 1.938 15.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.505 3.912 17.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.322 2.821 17.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.866 4.201 16.844 1.00 0.00 H new ATOM 102 N ALA A 6 -1.483 1.922 10.376 1.00 0.00 N ATOM 103 CA ALA A 6 -0.656 1.695 9.163 1.00 0.00 C ATOM 104 C ALA A 6 -0.167 3.031 8.609 1.00 0.00 C ATOM 105 O ALA A 6 1.011 3.242 8.412 1.00 0.00 O ATOM 106 CB ALA A 6 -1.505 0.989 8.103 1.00 0.00 C ATOM 0 H ALA A 6 -2.461 1.645 10.288 1.00 0.00 H new ATOM 0 HA ALA A 6 0.205 1.079 9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.904 0.819 7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.853 0.033 8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.363 1.612 7.850 1.00 0.00 H new ATOM 112 N MET A 7 -1.063 3.927 8.346 1.00 0.00 N ATOM 113 CA MET A 7 -0.652 5.240 7.785 1.00 0.00 C ATOM 114 C MET A 7 0.482 5.837 8.621 1.00 0.00 C ATOM 115 O MET A 7 1.408 6.421 8.096 1.00 0.00 O ATOM 116 CB MET A 7 -1.847 6.196 7.798 1.00 0.00 C ATOM 117 CG MET A 7 -2.851 5.801 6.713 1.00 0.00 C ATOM 118 SD MET A 7 -4.351 6.797 6.922 1.00 0.00 S ATOM 119 CE MET A 7 -5.012 6.647 5.242 1.00 0.00 C ATOM 0 H MET A 7 -2.066 3.811 8.494 1.00 0.00 H new ATOM 0 HA MET A 7 -0.305 5.096 6.762 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.329 6.174 8.775 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.506 7.218 7.634 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.423 5.965 5.724 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.089 4.740 6.786 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.748 7.432 5.069 1.00 0.00 H new ATOM 0 HE2 MET A 7 -4.200 6.746 4.521 1.00 0.00 H new ATOM 0 HE3 MET A 7 -5.486 5.673 5.123 1.00 0.00 H new ATOM 129 N VAL A 8 0.414 5.707 9.915 1.00 0.00 N ATOM 130 CA VAL A 8 1.485 6.286 10.776 1.00 0.00 C ATOM 131 C VAL A 8 2.706 5.363 10.772 1.00 0.00 C ATOM 132 O VAL A 8 3.837 5.808 10.749 1.00 0.00 O ATOM 133 CB VAL A 8 0.954 6.444 12.204 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.100 6.835 13.146 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.124 7.533 12.220 1.00 0.00 C ATOM 0 H VAL A 8 -0.334 5.226 10.415 1.00 0.00 H new ATOM 0 HA VAL A 8 1.779 7.262 10.389 1.00 0.00 H new ATOM 0 HB VAL A 8 0.527 5.500 12.541 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.716 6.946 14.160 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.865 6.058 13.131 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.535 7.779 12.818 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.507 7.651 13.234 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.306 8.476 11.882 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.939 7.248 11.555 1.00 0.00 H new ATOM 145 N ALA A 9 2.485 4.083 10.796 1.00 0.00 N ATOM 146 CA ALA A 9 3.630 3.137 10.794 1.00 0.00 C ATOM 147 C ALA A 9 4.392 3.260 9.471 1.00 0.00 C ATOM 148 O ALA A 9 5.590 3.051 9.409 1.00 0.00 O ATOM 149 CB ALA A 9 3.109 1.709 10.957 1.00 0.00 C ATOM 0 H ALA A 9 1.562 3.650 10.817 1.00 0.00 H new ATOM 0 HA ALA A 9 4.301 3.374 11.620 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.948 1.013 10.956 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.569 1.624 11.900 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.438 1.470 10.132 1.00 0.00 H new ATOM 155 N LEU A 10 3.709 3.588 8.405 1.00 0.00 N ATOM 156 CA LEU A 10 4.398 3.709 7.088 1.00 0.00 C ATOM 157 C LEU A 10 5.115 5.062 6.987 1.00 0.00 C ATOM 158 O LEU A 10 6.258 5.126 6.608 1.00 0.00 O ATOM 159 CB LEU A 10 3.355 3.584 5.960 1.00 0.00 C ATOM 160 CG LEU A 10 3.259 2.134 5.478 1.00 0.00 C ATOM 161 CD1 LEU A 10 2.766 1.238 6.614 1.00 0.00 C ATOM 162 CD2 LEU A 10 2.274 2.066 4.314 1.00 0.00 C ATOM 0 H LEU A 10 2.707 3.777 8.390 1.00 0.00 H new ATOM 0 HA LEU A 10 5.139 2.915 6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.382 3.920 6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.630 4.233 5.128 1.00 0.00 H new ATOM 0 HG LEU A 10 4.242 1.790 5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.700 0.208 6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.464 1.293 7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.782 1.573 6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.197 1.037 3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.294 2.410 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.626 2.702 3.502 1.00 0.00 H new ATOM 174 N ILE A 11 4.448 6.137 7.301 1.00 0.00 N ATOM 175 CA ILE A 11 5.091 7.482 7.193 1.00 0.00 C ATOM 176 C ILE A 11 6.491 7.429 7.808 1.00 0.00 C ATOM 177 O ILE A 11 7.428 8.016 7.300 1.00 0.00 O ATOM 178 CB ILE A 11 4.231 8.527 7.929 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.992 8.845 7.086 1.00 0.00 C ATOM 180 CG2 ILE A 11 5.032 9.817 8.152 1.00 0.00 C ATOM 181 CD1 ILE A 11 1.968 9.593 7.938 1.00 0.00 C ATOM 0 H ILE A 11 3.482 6.145 7.629 1.00 0.00 H new ATOM 0 HA ILE A 11 5.172 7.764 6.143 1.00 0.00 H new ATOM 0 HB ILE A 11 3.934 8.122 8.896 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.273 9.449 6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.556 7.923 6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.411 10.546 8.673 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.915 9.598 8.752 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.340 10.225 7.189 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.088 9.818 7.335 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.678 8.973 8.786 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.406 10.523 8.301 1.00 0.00 H new ATOM 193 N ASP A 12 6.644 6.724 8.889 1.00 0.00 N ATOM 194 CA ASP A 12 7.988 6.634 9.523 1.00 0.00 C ATOM 195 C ASP A 12 8.927 5.846 8.616 1.00 0.00 C ATOM 196 O ASP A 12 10.015 6.285 8.304 1.00 0.00 O ATOM 197 CB ASP A 12 7.873 5.916 10.870 1.00 0.00 C ATOM 198 CG ASP A 12 7.040 6.760 11.834 1.00 0.00 C ATOM 199 OD1 ASP A 12 6.783 7.908 11.515 1.00 0.00 O ATOM 200 OD2 ASP A 12 6.672 6.241 12.876 1.00 0.00 O ATOM 0 H ASP A 12 5.902 6.207 9.361 1.00 0.00 H new ATOM 0 HA ASP A 12 8.381 7.639 9.676 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.410 4.939 10.734 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.865 5.743 11.287 1.00 0.00 H new ATOM 205 N VAL A 13 8.518 4.688 8.194 1.00 0.00 N ATOM 206 CA VAL A 13 9.388 3.866 7.308 1.00 0.00 C ATOM 207 C VAL A 13 9.404 4.453 5.891 1.00 0.00 C ATOM 208 O VAL A 13 10.350 4.278 5.148 1.00 0.00 O ATOM 209 CB VAL A 13 8.871 2.423 7.278 1.00 0.00 C ATOM 210 CG1 VAL A 13 9.717 1.594 6.313 1.00 0.00 C ATOM 211 CG2 VAL A 13 8.962 1.827 8.690 1.00 0.00 C ATOM 0 H VAL A 13 7.616 4.271 8.424 1.00 0.00 H new ATOM 0 HA VAL A 13 10.406 3.873 7.697 1.00 0.00 H new ATOM 0 HB VAL A 13 7.834 2.412 6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.347 0.569 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.652 2.022 5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.756 1.599 6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.596 0.800 8.676 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.000 1.837 9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.355 2.419 9.375 1.00 0.00 H new ATOM 221 N PHE A 14 8.366 5.138 5.504 1.00 0.00 N ATOM 222 CA PHE A 14 8.342 5.712 4.126 1.00 0.00 C ATOM 223 C PHE A 14 9.308 6.899 4.036 1.00 0.00 C ATOM 224 O PHE A 14 10.061 7.022 3.091 1.00 0.00 O ATOM 225 CB PHE A 14 6.908 6.163 3.765 1.00 0.00 C ATOM 226 CG PHE A 14 6.171 5.030 3.082 1.00 0.00 C ATOM 227 CD1 PHE A 14 6.300 3.726 3.570 1.00 0.00 C ATOM 228 CD2 PHE A 14 5.376 5.284 1.954 1.00 0.00 C ATOM 229 CE1 PHE A 14 5.631 2.673 2.934 1.00 0.00 C ATOM 230 CE2 PHE A 14 4.712 4.230 1.318 1.00 0.00 C ATOM 231 CZ PHE A 14 4.838 2.925 1.809 1.00 0.00 C ATOM 0 H PHE A 14 7.540 5.325 6.073 1.00 0.00 H new ATOM 0 HA PHE A 14 8.658 4.946 3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.374 6.465 4.666 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.945 7.033 3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.915 3.531 4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.277 6.291 1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.727 1.666 3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.102 4.423 0.448 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.323 2.112 1.319 1.00 0.00 H new ATOM 241 N HIS A 15 9.284 7.784 4.992 1.00 0.00 N ATOM 242 CA HIS A 15 10.192 8.964 4.924 1.00 0.00 C ATOM 243 C HIS A 15 11.627 8.555 5.277 1.00 0.00 C ATOM 244 O HIS A 15 12.577 9.112 4.766 1.00 0.00 O ATOM 245 CB HIS A 15 9.696 10.044 5.900 1.00 0.00 C ATOM 246 CG HIS A 15 10.166 11.402 5.446 1.00 0.00 C ATOM 247 ND1 HIS A 15 10.771 12.304 6.308 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.113 12.029 4.225 1.00 0.00 C ATOM 249 CE1 HIS A 15 11.050 13.414 5.600 1.00 0.00 C ATOM 250 NE2 HIS A 15 10.669 13.298 4.326 1.00 0.00 N ATOM 0 H HIS A 15 8.680 7.743 5.813 1.00 0.00 H new ATOM 0 HA HIS A 15 10.187 9.361 3.909 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.607 10.026 5.953 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.068 9.838 6.904 1.00 0.00 H new ATOM 0 HD1 HIS A 15 10.968 12.154 7.297 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.701 11.600 3.323 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.525 14.292 6.013 1.00 0.00 H new ATOM 258 N GLN A 16 11.803 7.599 6.147 1.00 0.00 N ATOM 259 CA GLN A 16 13.189 7.185 6.513 1.00 0.00 C ATOM 260 C GLN A 16 13.878 6.558 5.296 1.00 0.00 C ATOM 261 O GLN A 16 15.040 6.801 5.028 1.00 0.00 O ATOM 262 CB GLN A 16 13.131 6.157 7.648 1.00 0.00 C ATOM 263 CG GLN A 16 12.848 6.864 8.979 1.00 0.00 C ATOM 264 CD GLN A 16 14.077 7.671 9.403 1.00 0.00 C ATOM 265 OE1 GLN A 16 14.237 8.810 9.007 1.00 0.00 O ATOM 266 NE2 GLN A 16 14.958 7.130 10.201 1.00 0.00 N ATOM 0 H GLN A 16 11.055 7.090 6.617 1.00 0.00 H new ATOM 0 HA GLN A 16 13.753 8.059 6.838 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.353 5.421 7.444 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.075 5.615 7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.986 7.523 8.876 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.599 6.131 9.746 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.826 6.175 10.534 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.778 7.662 10.491 1.00 0.00 H new ATOM 275 N TYR A 17 13.168 5.768 4.543 1.00 0.00 N ATOM 276 CA TYR A 17 13.787 5.133 3.340 1.00 0.00 C ATOM 277 C TYR A 17 13.586 6.040 2.130 1.00 0.00 C ATOM 278 O TYR A 17 14.532 6.466 1.502 1.00 0.00 O ATOM 279 CB TYR A 17 13.138 3.765 3.098 1.00 0.00 C ATOM 280 CG TYR A 17 13.769 2.743 4.018 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.448 2.735 5.380 1.00 0.00 C ATOM 282 CD2 TYR A 17 14.679 1.811 3.509 1.00 0.00 C ATOM 283 CE1 TYR A 17 14.036 1.792 6.233 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.270 0.870 4.359 1.00 0.00 C ATOM 285 CZ TYR A 17 14.949 0.857 5.723 1.00 0.00 C ATOM 286 OH TYR A 17 15.535 -0.070 6.564 1.00 0.00 O ATOM 0 H TYR A 17 12.189 5.533 4.704 1.00 0.00 H new ATOM 0 HA TYR A 17 14.856 4.993 3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.065 3.821 3.280 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.270 3.466 2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.747 3.456 5.774 1.00 0.00 H new ATOM 0 HD2 TYR A 17 14.926 1.818 2.458 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.786 1.785 7.284 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.974 0.153 3.964 1.00 0.00 H new ATOM 0 HH TYR A 17 14.922 -0.277 7.300 1.00 0.00 H new ATOM 296 N SER A 18 12.368 6.349 1.801 1.00 0.00 N ATOM 297 CA SER A 18 12.134 7.237 0.634 1.00 0.00 C ATOM 298 C SER A 18 12.911 8.542 0.841 1.00 0.00 C ATOM 299 O SER A 18 13.279 9.214 -0.102 1.00 0.00 O ATOM 300 CB SER A 18 10.636 7.524 0.501 1.00 0.00 C ATOM 301 OG SER A 18 10.342 7.849 -0.851 1.00 0.00 O ATOM 0 H SER A 18 11.529 6.028 2.285 1.00 0.00 H new ATOM 0 HA SER A 18 12.478 6.754 -0.280 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.058 6.654 0.813 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.351 8.348 1.156 1.00 0.00 H new ATOM 0 HG SER A 18 9.381 8.017 -0.946 1.00 0.00 H new ATOM 307 N GLY A 19 13.164 8.903 2.076 1.00 0.00 N ATOM 308 CA GLY A 19 13.919 10.164 2.361 1.00 0.00 C ATOM 309 C GLY A 19 15.407 9.858 2.561 1.00 0.00 C ATOM 310 O GLY A 19 16.204 10.753 2.763 1.00 0.00 O ATOM 0 H GLY A 19 12.879 8.377 2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.793 10.866 1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.516 10.644 3.253 1.00 0.00 H new ATOM 314 N ARG A 20 15.802 8.613 2.485 1.00 0.00 N ATOM 315 CA ARG A 20 17.245 8.281 2.645 1.00 0.00 C ATOM 316 C ARG A 20 18.030 8.912 1.491 1.00 0.00 C ATOM 317 O ARG A 20 19.065 9.521 1.681 1.00 0.00 O ATOM 318 CB ARG A 20 17.400 6.758 2.600 1.00 0.00 C ATOM 319 CG ARG A 20 18.851 6.351 2.867 1.00 0.00 C ATOM 320 CD ARG A 20 19.026 4.870 2.524 1.00 0.00 C ATOM 321 NE ARG A 20 20.348 4.399 3.020 1.00 0.00 N ATOM 322 CZ ARG A 20 21.433 4.692 2.358 1.00 0.00 C ATOM 323 NH1 ARG A 20 21.353 5.351 1.235 1.00 0.00 N ATOM 324 NH2 ARG A 20 22.596 4.312 2.813 1.00 0.00 N ATOM 0 H ARG A 20 15.188 7.816 2.319 1.00 0.00 H new ATOM 0 HA ARG A 20 17.623 8.664 3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.747 6.299 3.342 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.086 6.385 1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.529 6.959 2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.105 6.528 3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.226 4.284 2.976 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.957 4.725 1.446 1.00 0.00 H new ATOM 0 HE ARG A 20 20.405 3.848 3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.442 5.637 0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 20 22.201 5.580 0.717 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.656 3.787 3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.445 4.540 2.296 1.00 0.00 H new ATOM 338 N GLU A 21 17.530 8.778 0.295 1.00 0.00 N ATOM 339 CA GLU A 21 18.226 9.373 -0.884 1.00 0.00 C ATOM 340 C GLU A 21 17.256 9.426 -2.072 1.00 0.00 C ATOM 341 O GLU A 21 16.241 8.757 -2.086 1.00 0.00 O ATOM 342 CB GLU A 21 19.457 8.528 -1.247 1.00 0.00 C ATOM 343 CG GLU A 21 19.127 7.039 -1.104 1.00 0.00 C ATOM 344 CD GLU A 21 20.339 6.202 -1.522 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.427 6.756 -1.577 1.00 0.00 O ATOM 346 OE2 GLU A 21 20.162 5.023 -1.780 1.00 0.00 O ATOM 0 H GLU A 21 16.666 8.280 0.080 1.00 0.00 H new ATOM 0 HA GLU A 21 18.555 10.383 -0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.769 8.744 -2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.292 8.788 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.855 6.814 -0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.266 6.786 -1.723 1.00 0.00 H new ATOM 353 N GLY A 22 17.565 10.220 -3.071 1.00 0.00 N ATOM 354 CA GLY A 22 16.672 10.331 -4.271 1.00 0.00 C ATOM 355 C GLY A 22 15.921 11.665 -4.227 1.00 0.00 C ATOM 356 O GLY A 22 16.457 12.673 -3.816 1.00 0.00 O ATOM 0 H GLY A 22 18.403 10.800 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.263 10.264 -5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.963 9.503 -4.288 1.00 0.00 H new ATOM 360 N ASP A 23 14.684 11.679 -4.652 1.00 0.00 N ATOM 361 CA ASP A 23 13.899 12.949 -4.636 1.00 0.00 C ATOM 362 C ASP A 23 13.407 13.225 -3.211 1.00 0.00 C ATOM 363 O ASP A 23 12.370 13.826 -3.007 1.00 0.00 O ATOM 364 CB ASP A 23 12.698 12.812 -5.574 1.00 0.00 C ATOM 365 CG ASP A 23 12.007 14.169 -5.720 1.00 0.00 C ATOM 366 OD1 ASP A 23 12.710 15.160 -5.822 1.00 0.00 O ATOM 367 OD2 ASP A 23 10.787 14.191 -5.726 1.00 0.00 O ATOM 0 H ASP A 23 14.184 10.865 -5.010 1.00 0.00 H new ATOM 0 HA ASP A 23 14.529 13.774 -4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.024 12.451 -6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.997 12.076 -5.180 1.00 0.00 H new ATOM 372 N LYS A 24 14.144 12.790 -2.227 1.00 0.00 N ATOM 373 CA LYS A 24 13.728 13.018 -0.813 1.00 0.00 C ATOM 374 C LYS A 24 12.439 12.223 -0.526 1.00 0.00 C ATOM 375 O LYS A 24 12.039 12.071 0.610 1.00 0.00 O ATOM 376 CB LYS A 24 13.506 14.538 -0.580 1.00 0.00 C ATOM 377 CG LYS A 24 14.254 15.015 0.678 1.00 0.00 C ATOM 378 CD LYS A 24 13.595 14.423 1.927 1.00 0.00 C ATOM 379 CE LYS A 24 14.220 15.044 3.177 1.00 0.00 C ATOM 380 NZ LYS A 24 13.852 16.486 3.253 1.00 0.00 N ATOM 0 H LYS A 24 15.022 12.283 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 24 14.507 12.674 -0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.853 15.098 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.441 14.742 -0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.300 14.711 0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.241 16.104 0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.522 14.615 1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.725 13.341 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.872 14.522 4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.304 14.936 3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.923 16.811 4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.499 17.041 2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.876 16.613 2.916 1.00 0.00 H new ATOM 394 N HIS A 25 11.787 11.712 -1.543 1.00 0.00 N ATOM 395 CA HIS A 25 10.535 10.926 -1.313 1.00 0.00 C ATOM 396 C HIS A 25 10.352 9.906 -2.436 1.00 0.00 C ATOM 397 O HIS A 25 9.282 9.768 -2.995 1.00 0.00 O ATOM 398 CB HIS A 25 9.315 11.859 -1.272 1.00 0.00 C ATOM 399 CG HIS A 25 9.643 13.105 -0.500 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.748 13.121 0.884 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.880 14.394 -0.910 1.00 0.00 C ATOM 402 CE1 HIS A 25 10.038 14.382 1.253 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.129 15.194 0.198 1.00 0.00 N ATOM 0 H HIS A 25 12.067 11.805 -2.519 1.00 0.00 H new ATOM 0 HA HIS A 25 10.620 10.410 -0.357 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.013 12.119 -2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.471 11.347 -0.809 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.874 14.733 -1.935 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.180 14.698 2.276 1.00 0.00 H new ATOM 0 HE2 HIS A 25 10.338 16.192 0.204 1.00 0.00 H new ATOM 411 N LYS A 26 11.386 9.174 -2.753 1.00 0.00 N ATOM 412 CA LYS A 26 11.286 8.139 -3.822 1.00 0.00 C ATOM 413 C LYS A 26 12.094 6.923 -3.376 1.00 0.00 C ATOM 414 O LYS A 26 13.075 7.055 -2.671 1.00 0.00 O ATOM 415 CB LYS A 26 11.860 8.707 -5.131 1.00 0.00 C ATOM 416 CG LYS A 26 11.299 7.932 -6.332 1.00 0.00 C ATOM 417 CD LYS A 26 11.748 8.598 -7.645 1.00 0.00 C ATOM 418 CE LYS A 26 10.821 9.777 -7.987 1.00 0.00 C ATOM 419 NZ LYS A 26 11.147 10.291 -9.347 1.00 0.00 N ATOM 0 H LYS A 26 12.303 9.250 -2.313 1.00 0.00 H new ATOM 0 HA LYS A 26 10.248 7.853 -3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.608 9.764 -5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.948 8.639 -5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.645 6.899 -6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.210 7.906 -6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.775 8.949 -7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.734 7.868 -8.455 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.780 9.457 -7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.938 10.571 -7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.519 11.088 -9.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.136 10.612 -9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.013 9.533 -10.046 1.00 0.00 H new ATOM 433 N LEU A 27 11.696 5.739 -3.766 1.00 0.00 N ATOM 434 CA LEU A 27 12.462 4.521 -3.337 1.00 0.00 C ATOM 435 C LEU A 27 13.478 4.109 -4.412 1.00 0.00 C ATOM 436 O LEU A 27 13.154 3.932 -5.570 1.00 0.00 O ATOM 437 CB LEU A 27 11.484 3.337 -3.096 1.00 0.00 C ATOM 438 CG LEU A 27 11.322 3.032 -1.590 1.00 0.00 C ATOM 439 CD1 LEU A 27 10.371 4.048 -0.959 1.00 0.00 C ATOM 440 CD2 LEU A 27 10.755 1.622 -1.431 1.00 0.00 C ATOM 0 H LEU A 27 10.884 5.560 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 27 12.992 4.764 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.511 3.574 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.852 2.449 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 27 12.289 3.098 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.259 3.830 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.777 5.052 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.398 3.987 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.636 1.395 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.786 1.562 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.438 0.902 -1.882 1.00 0.00 H new ATOM 452 N LYS A 28 14.694 3.898 -3.992 1.00 0.00 N ATOM 453 CA LYS A 28 15.770 3.418 -4.917 1.00 0.00 C ATOM 454 C LYS A 28 16.113 1.981 -4.511 1.00 0.00 C ATOM 455 O LYS A 28 15.830 1.569 -3.402 1.00 0.00 O ATOM 456 CB LYS A 28 17.018 4.312 -4.796 1.00 0.00 C ATOM 457 CG LYS A 28 16.613 5.753 -4.429 1.00 0.00 C ATOM 458 CD LYS A 28 17.621 6.745 -5.030 1.00 0.00 C ATOM 459 CE LYS A 28 19.062 6.353 -4.649 1.00 0.00 C ATOM 460 NZ LYS A 28 19.673 5.560 -5.755 1.00 0.00 N ATOM 0 H LYS A 28 14.997 4.040 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 28 15.430 3.458 -5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.688 3.911 -4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.567 4.310 -5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.612 5.966 -4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.579 5.866 -3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.518 6.763 -6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.406 7.752 -4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.655 7.248 -4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 28 19.060 5.770 -3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.662 4.550 -5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.129 5.707 -6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.655 5.869 -5.903 1.00 0.00 H new ATOM 474 N LYS A 29 16.708 1.208 -5.382 1.00 0.00 N ATOM 475 CA LYS A 29 17.047 -0.198 -5.007 1.00 0.00 C ATOM 476 C LYS A 29 17.687 -0.224 -3.617 1.00 0.00 C ATOM 477 O LYS A 29 17.310 -1.006 -2.765 1.00 0.00 O ATOM 478 CB LYS A 29 18.031 -0.790 -6.020 1.00 0.00 C ATOM 479 CG LYS A 29 17.352 -0.946 -7.390 1.00 0.00 C ATOM 480 CD LYS A 29 18.098 -2.001 -8.220 1.00 0.00 C ATOM 481 CE LYS A 29 17.731 -1.846 -9.697 1.00 0.00 C ATOM 482 NZ LYS A 29 16.249 -1.740 -9.827 1.00 0.00 N ATOM 0 H LYS A 29 16.972 1.485 -6.328 1.00 0.00 H new ATOM 0 HA LYS A 29 16.131 -0.788 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.904 -0.144 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.386 -1.759 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.311 -1.242 -7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.349 0.009 -7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.174 -1.887 -8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.838 -3.001 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.209 -0.958 -10.111 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.098 -2.700 -10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.968 -1.973 -10.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.794 -2.404 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.949 -0.770 -9.603 1.00 0.00 H new ATOM 496 N SER A 30 18.644 0.630 -3.376 1.00 0.00 N ATOM 497 CA SER A 30 19.294 0.653 -2.036 1.00 0.00 C ATOM 498 C SER A 30 18.214 0.755 -0.958 1.00 0.00 C ATOM 499 O SER A 30 18.438 0.432 0.187 1.00 0.00 O ATOM 500 CB SER A 30 20.235 1.859 -1.940 1.00 0.00 C ATOM 501 OG SER A 30 21.470 1.538 -2.568 1.00 0.00 O ATOM 0 H SER A 30 19.002 1.310 -4.046 1.00 0.00 H new ATOM 0 HA SER A 30 19.870 -0.261 -1.892 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.784 2.727 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.402 2.123 -0.896 1.00 0.00 H new ATOM 0 HG SER A 30 22.075 2.307 -2.511 1.00 0.00 H new ATOM 507 N GLU A 31 17.041 1.197 -1.319 1.00 0.00 N ATOM 508 CA GLU A 31 15.939 1.321 -0.316 1.00 0.00 C ATOM 509 C GLU A 31 15.037 0.100 -0.406 1.00 0.00 C ATOM 510 O GLU A 31 14.433 -0.296 0.561 1.00 0.00 O ATOM 511 CB GLU A 31 15.126 2.582 -0.611 1.00 0.00 C ATOM 512 CG GLU A 31 16.050 3.801 -0.566 1.00 0.00 C ATOM 513 CD GLU A 31 15.213 5.076 -0.621 1.00 0.00 C ATOM 514 OE1 GLU A 31 14.043 5.003 -0.290 1.00 0.00 O ATOM 515 OE2 GLU A 31 15.755 6.102 -0.998 1.00 0.00 O ATOM 0 H GLU A 31 16.795 1.479 -2.268 1.00 0.00 H new ATOM 0 HA GLU A 31 16.361 1.387 0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.655 2.504 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.325 2.691 0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.647 3.784 0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.746 3.774 -1.404 1.00 0.00 H new ATOM 522 N LEU A 32 14.937 -0.501 -1.555 1.00 0.00 N ATOM 523 CA LEU A 32 14.062 -1.698 -1.692 1.00 0.00 C ATOM 524 C LEU A 32 14.784 -2.929 -1.140 1.00 0.00 C ATOM 525 O LEU A 32 14.271 -3.629 -0.294 1.00 0.00 O ATOM 526 CB LEU A 32 13.706 -1.880 -3.185 1.00 0.00 C ATOM 527 CG LEU A 32 12.244 -2.309 -3.363 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.886 -2.280 -4.851 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.055 -3.724 -2.825 1.00 0.00 C ATOM 0 H LEU A 32 15.422 -0.217 -2.406 1.00 0.00 H new ATOM 0 HA LEU A 32 13.142 -1.567 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.880 -0.946 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.363 -2.628 -3.629 1.00 0.00 H new ATOM 0 HG LEU A 32 11.596 -1.625 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.848 -2.584 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.019 -1.270 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.536 -2.965 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.015 -4.026 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.702 -4.410 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.312 -3.748 -1.766 1.00 0.00 H new ATOM 541 N LYS A 33 15.965 -3.199 -1.599 1.00 0.00 N ATOM 542 CA LYS A 33 16.695 -4.377 -1.089 1.00 0.00 C ATOM 543 C LYS A 33 17.078 -4.146 0.377 1.00 0.00 C ATOM 544 O LYS A 33 17.099 -5.062 1.172 1.00 0.00 O ATOM 545 CB LYS A 33 17.934 -4.553 -1.954 1.00 0.00 C ATOM 546 CG LYS A 33 18.732 -5.790 -1.528 1.00 0.00 C ATOM 547 CD LYS A 33 20.096 -5.786 -2.251 1.00 0.00 C ATOM 548 CE LYS A 33 21.166 -5.145 -1.358 1.00 0.00 C ATOM 549 NZ LYS A 33 22.420 -4.952 -2.143 1.00 0.00 N ATOM 0 H LYS A 33 16.456 -2.653 -2.307 1.00 0.00 H new ATOM 0 HA LYS A 33 16.080 -5.276 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.641 -4.648 -3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.563 -3.666 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.879 -5.789 -0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.179 -6.697 -1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.385 -6.806 -2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.017 -5.236 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.811 -4.187 -0.978 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.360 -5.779 -0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.145 -4.517 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.761 -5.873 -2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.229 -4.331 -2.955 1.00 0.00 H new ATOM 563 N GLU A 34 17.398 -2.933 0.739 1.00 0.00 N ATOM 564 CA GLU A 34 17.794 -2.677 2.157 1.00 0.00 C ATOM 565 C GLU A 34 16.549 -2.649 3.044 1.00 0.00 C ATOM 566 O GLU A 34 16.591 -3.034 4.196 1.00 0.00 O ATOM 567 CB GLU A 34 18.540 -1.348 2.274 1.00 0.00 C ATOM 568 CG GLU A 34 19.219 -1.258 3.645 1.00 0.00 C ATOM 569 CD GLU A 34 20.395 -2.231 3.702 1.00 0.00 C ATOM 570 OE1 GLU A 34 21.477 -1.846 3.287 1.00 0.00 O ATOM 571 OE2 GLU A 34 20.196 -3.343 4.166 1.00 0.00 O ATOM 0 H GLU A 34 17.403 -2.118 0.126 1.00 0.00 H new ATOM 0 HA GLU A 34 18.456 -3.479 2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.285 -1.267 1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.846 -0.517 2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.567 -0.241 3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.503 -1.492 4.432 1.00 0.00 H new ATOM 578 N LEU A 35 15.437 -2.218 2.522 1.00 0.00 N ATOM 579 CA LEU A 35 14.203 -2.194 3.354 1.00 0.00 C ATOM 580 C LEU A 35 13.703 -3.630 3.527 1.00 0.00 C ATOM 581 O LEU A 35 13.152 -3.990 4.548 1.00 0.00 O ATOM 582 CB LEU A 35 13.123 -1.349 2.662 1.00 0.00 C ATOM 583 CG LEU A 35 11.787 -1.477 3.410 1.00 0.00 C ATOM 584 CD1 LEU A 35 11.963 -1.062 4.874 1.00 0.00 C ATOM 585 CD2 LEU A 35 10.744 -0.576 2.749 1.00 0.00 C ATOM 0 H LEU A 35 15.328 -1.884 1.564 1.00 0.00 H new ATOM 0 HA LEU A 35 14.421 -1.755 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.432 -0.304 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.002 -1.675 1.629 1.00 0.00 H new ATOM 0 HG LEU A 35 11.455 -2.514 3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.011 -1.156 5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.702 -1.707 5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.302 -0.027 4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.796 -0.667 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.082 0.460 2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.609 -0.877 1.710 1.00 0.00 H new ATOM 597 N ILE A 36 13.886 -4.447 2.527 1.00 0.00 N ATOM 598 CA ILE A 36 13.420 -5.860 2.609 1.00 0.00 C ATOM 599 C ILE A 36 14.243 -6.611 3.664 1.00 0.00 C ATOM 600 O ILE A 36 13.723 -7.404 4.424 1.00 0.00 O ATOM 601 CB ILE A 36 13.588 -6.513 1.233 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.527 -5.960 0.274 1.00 0.00 C ATOM 603 CG2 ILE A 36 13.411 -8.027 1.338 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.926 -6.288 -1.169 1.00 0.00 C ATOM 0 H ILE A 36 14.342 -4.195 1.650 1.00 0.00 H new ATOM 0 HA ILE A 36 12.370 -5.896 2.900 1.00 0.00 H new ATOM 0 HB ILE A 36 14.588 -6.291 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.553 -6.394 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.433 -4.882 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.533 -8.477 0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.159 -8.434 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.414 -8.251 1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.173 -5.896 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.891 -5.833 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.998 -7.369 -1.290 1.00 0.00 H new ATOM 616 N ASN A 37 15.525 -6.378 3.703 1.00 0.00 N ATOM 617 CA ASN A 37 16.392 -7.086 4.694 1.00 0.00 C ATOM 618 C ASN A 37 16.341 -6.404 6.074 1.00 0.00 C ATOM 619 O ASN A 37 16.673 -7.001 7.080 1.00 0.00 O ATOM 620 CB ASN A 37 17.838 -7.092 4.195 1.00 0.00 C ATOM 621 CG ASN A 37 18.717 -7.823 5.208 1.00 0.00 C ATOM 622 OD1 ASN A 37 18.955 -9.007 5.081 1.00 0.00 O ATOM 623 ND2 ASN A 37 19.210 -7.162 6.221 1.00 0.00 N ATOM 0 H ASN A 37 16.014 -5.726 3.090 1.00 0.00 H new ATOM 0 HA ASN A 37 16.021 -8.106 4.798 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.898 -7.582 3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 37 18.192 -6.070 4.059 1.00 0.00 H new ATOM 0 HD21 ASN A 37 19.795 -7.640 6.906 1.00 0.00 H new ATOM 0 HD22 ASN A 37 19.010 -6.167 6.327 1.00 0.00 H new ATOM 630 N ASN A 38 15.993 -5.146 6.137 1.00 0.00 N ATOM 631 CA ASN A 38 16.000 -4.445 7.463 1.00 0.00 C ATOM 632 C ASN A 38 14.657 -4.580 8.199 1.00 0.00 C ATOM 633 O ASN A 38 14.625 -4.837 9.388 1.00 0.00 O ATOM 634 CB ASN A 38 16.286 -2.962 7.223 1.00 0.00 C ATOM 635 CG ASN A 38 16.723 -2.302 8.528 1.00 0.00 C ATOM 636 OD1 ASN A 38 15.928 -1.679 9.205 1.00 0.00 O ATOM 637 ND2 ASN A 38 17.966 -2.420 8.912 1.00 0.00 N ATOM 0 H ASN A 38 15.707 -4.576 5.341 1.00 0.00 H new ATOM 0 HA ASN A 38 16.767 -4.905 8.087 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.065 -2.850 6.469 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.395 -2.468 6.836 1.00 0.00 H new ATOM 0 HD21 ASN A 38 18.274 -1.988 9.783 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.629 -2.944 8.340 1.00 0.00 H new ATOM 644 N GLU A 39 13.552 -4.379 7.524 1.00 0.00 N ATOM 645 CA GLU A 39 12.215 -4.460 8.210 1.00 0.00 C ATOM 646 C GLU A 39 11.477 -5.736 7.805 1.00 0.00 C ATOM 647 O GLU A 39 10.936 -6.435 8.638 1.00 0.00 O ATOM 648 CB GLU A 39 11.374 -3.244 7.814 1.00 0.00 C ATOM 649 CG GLU A 39 12.154 -1.957 8.108 1.00 0.00 C ATOM 650 CD GLU A 39 12.329 -1.799 9.617 1.00 0.00 C ATOM 651 OE1 GLU A 39 11.325 -1.745 10.308 1.00 0.00 O ATOM 652 OE2 GLU A 39 13.465 -1.735 10.055 1.00 0.00 O ATOM 0 H GLU A 39 13.513 -4.162 6.528 1.00 0.00 H new ATOM 0 HA GLU A 39 12.373 -4.475 9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.122 -3.294 6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.434 -3.245 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.128 -1.990 7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.623 -1.097 7.701 1.00 0.00 H new ATOM 659 N LEU A 40 11.433 -6.046 6.538 1.00 0.00 N ATOM 660 CA LEU A 40 10.708 -7.276 6.099 1.00 0.00 C ATOM 661 C LEU A 40 11.657 -8.488 6.154 1.00 0.00 C ATOM 662 O LEU A 40 11.549 -9.409 5.374 1.00 0.00 O ATOM 663 CB LEU A 40 10.166 -7.082 4.663 1.00 0.00 C ATOM 664 CG LEU A 40 9.887 -5.596 4.371 1.00 0.00 C ATOM 665 CD1 LEU A 40 9.384 -5.459 2.933 1.00 0.00 C ATOM 666 CD2 LEU A 40 8.816 -5.053 5.325 1.00 0.00 C ATOM 0 H LEU A 40 11.865 -5.504 5.789 1.00 0.00 H new ATOM 0 HA LEU A 40 9.867 -7.457 6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.888 -7.468 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.250 -7.659 4.536 1.00 0.00 H new ATOM 0 HG LEU A 40 10.807 -5.029 4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.183 -4.410 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.142 -5.833 2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.467 -6.036 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.631 -4.002 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.893 -5.618 5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.161 -5.153 6.354 1.00 0.00 H new ATOM 678 N SER A 41 12.584 -8.496 7.077 1.00 0.00 N ATOM 679 CA SER A 41 13.531 -9.649 7.182 1.00 0.00 C ATOM 680 C SER A 41 12.925 -10.753 8.056 1.00 0.00 C ATOM 681 O SER A 41 13.395 -11.873 8.051 1.00 0.00 O ATOM 682 CB SER A 41 14.859 -9.176 7.798 1.00 0.00 C ATOM 683 OG SER A 41 15.321 -10.131 8.749 1.00 0.00 O ATOM 0 H SER A 41 12.727 -7.755 7.763 1.00 0.00 H new ATOM 0 HA SER A 41 13.714 -10.046 6.184 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.605 -9.040 7.015 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.722 -8.208 8.279 1.00 0.00 H new ATOM 0 HG SER A 41 16.167 -9.824 9.136 1.00 0.00 H new ATOM 689 N HIS A 42 11.901 -10.453 8.815 1.00 0.00 N ATOM 690 CA HIS A 42 11.288 -11.499 9.696 1.00 0.00 C ATOM 691 C HIS A 42 10.110 -12.169 8.983 1.00 0.00 C ATOM 692 O HIS A 42 9.820 -13.327 9.209 1.00 0.00 O ATOM 693 CB HIS A 42 10.801 -10.839 10.988 1.00 0.00 C ATOM 694 CG HIS A 42 11.989 -10.296 11.735 1.00 0.00 C ATOM 695 ND1 HIS A 42 12.053 -8.981 12.173 1.00 0.00 N ATOM 696 CD2 HIS A 42 13.175 -10.877 12.114 1.00 0.00 C ATOM 697 CE1 HIS A 42 13.244 -8.814 12.783 1.00 0.00 C ATOM 698 NE2 HIS A 42 13.961 -9.939 12.773 1.00 0.00 N ATOM 0 H HIS A 42 11.463 -9.533 8.864 1.00 0.00 H new ATOM 0 HA HIS A 42 12.034 -12.260 9.926 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.100 -10.036 10.760 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.267 -11.563 11.603 1.00 0.00 H new ATOM 0 HD2 HIS A 42 13.453 -11.904 11.929 1.00 0.00 H new ATOM 0 HE1 HIS A 42 13.576 -7.886 13.224 1.00 0.00 H new ATOM 0 HE2 HIS A 42 14.891 -10.081 13.167 1.00 0.00 H new ATOM 707 N PHE A 43 9.426 -11.452 8.121 1.00 0.00 N ATOM 708 CA PHE A 43 8.262 -12.050 7.390 1.00 0.00 C ATOM 709 C PHE A 43 8.690 -12.385 5.959 1.00 0.00 C ATOM 710 O PHE A 43 8.630 -13.521 5.536 1.00 0.00 O ATOM 711 CB PHE A 43 7.098 -11.049 7.369 1.00 0.00 C ATOM 712 CG PHE A 43 6.537 -10.887 8.766 1.00 0.00 C ATOM 713 CD1 PHE A 43 5.529 -11.747 9.225 1.00 0.00 C ATOM 714 CD2 PHE A 43 7.023 -9.873 9.602 1.00 0.00 C ATOM 715 CE1 PHE A 43 5.011 -11.590 10.516 1.00 0.00 C ATOM 716 CE2 PHE A 43 6.504 -9.719 10.889 1.00 0.00 C ATOM 717 CZ PHE A 43 5.498 -10.576 11.347 1.00 0.00 C ATOM 0 H PHE A 43 9.624 -10.478 7.892 1.00 0.00 H new ATOM 0 HA PHE A 43 7.936 -12.960 7.894 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.441 -10.086 6.991 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.318 -11.398 6.692 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.153 -12.530 8.583 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.800 -9.210 9.251 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.235 -12.252 10.870 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.880 -8.937 11.532 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.097 -10.455 12.343 1.00 0.00 H new ATOM 727 N LEU A 44 9.135 -11.410 5.215 1.00 0.00 N ATOM 728 CA LEU A 44 9.579 -11.681 3.819 1.00 0.00 C ATOM 729 C LEU A 44 10.999 -12.264 3.858 1.00 0.00 C ATOM 730 O LEU A 44 11.836 -11.827 4.623 1.00 0.00 O ATOM 731 CB LEU A 44 9.555 -10.366 3.028 1.00 0.00 C ATOM 732 CG LEU A 44 10.127 -10.565 1.615 1.00 0.00 C ATOM 733 CD1 LEU A 44 9.351 -11.671 0.876 1.00 0.00 C ATOM 734 CD2 LEU A 44 10.022 -9.239 0.837 1.00 0.00 C ATOM 0 H LEU A 44 9.210 -10.438 5.514 1.00 0.00 H new ATOM 0 HA LEU A 44 8.915 -12.397 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.532 -9.996 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.135 -9.609 3.556 1.00 0.00 H new ATOM 0 HG LEU A 44 11.172 -10.866 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.766 -11.801 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.435 -12.606 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.301 -11.389 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.426 -9.373 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.976 -8.938 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.589 -8.467 1.356 1.00 0.00 H new ATOM 746 N GLU A 45 11.269 -13.256 3.056 1.00 0.00 N ATOM 747 CA GLU A 45 12.628 -13.885 3.060 1.00 0.00 C ATOM 748 C GLU A 45 13.712 -12.807 2.975 1.00 0.00 C ATOM 749 O GLU A 45 13.667 -11.933 2.130 1.00 0.00 O ATOM 750 CB GLU A 45 12.757 -14.818 1.856 1.00 0.00 C ATOM 751 CG GLU A 45 11.623 -15.845 1.884 1.00 0.00 C ATOM 752 CD GLU A 45 11.768 -16.804 0.702 1.00 0.00 C ATOM 753 OE1 GLU A 45 11.795 -16.332 -0.422 1.00 0.00 O ATOM 754 OE2 GLU A 45 11.851 -17.998 0.942 1.00 0.00 O ATOM 0 H GLU A 45 10.608 -13.662 2.394 1.00 0.00 H new ATOM 0 HA GLU A 45 12.754 -14.447 3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.719 -14.243 0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.722 -15.325 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.646 -16.401 2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.659 -15.338 1.838 1.00 0.00 H new ATOM 761 N GLU A 46 14.690 -12.862 3.846 1.00 0.00 N ATOM 762 CA GLU A 46 15.775 -11.839 3.810 1.00 0.00 C ATOM 763 C GLU A 46 16.446 -11.860 2.435 1.00 0.00 C ATOM 764 O GLU A 46 17.463 -12.496 2.236 1.00 0.00 O ATOM 765 CB GLU A 46 16.816 -12.136 4.902 1.00 0.00 C ATOM 766 CG GLU A 46 17.046 -13.646 5.013 1.00 0.00 C ATOM 767 CD GLU A 46 18.306 -13.905 5.842 1.00 0.00 C ATOM 768 OE1 GLU A 46 18.683 -13.027 6.602 1.00 0.00 O ATOM 769 OE2 GLU A 46 18.875 -14.974 5.702 1.00 0.00 O ATOM 0 H GLU A 46 14.782 -13.568 4.576 1.00 0.00 H new ATOM 0 HA GLU A 46 15.346 -10.853 3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.754 -11.634 4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.474 -11.741 5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.185 -14.123 5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.153 -14.083 4.020 1.00 0.00 H new ATOM 776 N ILE A 47 15.886 -11.162 1.485 1.00 0.00 N ATOM 777 CA ILE A 47 16.491 -11.134 0.126 1.00 0.00 C ATOM 778 C ILE A 47 17.951 -10.676 0.244 1.00 0.00 C ATOM 779 O ILE A 47 18.249 -9.665 0.850 1.00 0.00 O ATOM 780 CB ILE A 47 15.674 -10.166 -0.768 1.00 0.00 C ATOM 781 CG1 ILE A 47 14.521 -10.941 -1.431 1.00 0.00 C ATOM 782 CG2 ILE A 47 16.562 -9.527 -1.845 1.00 0.00 C ATOM 783 CD1 ILE A 47 13.587 -9.997 -2.208 1.00 0.00 C ATOM 0 H ILE A 47 15.035 -10.610 1.593 1.00 0.00 H new ATOM 0 HA ILE A 47 16.472 -12.125 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 47 15.274 -9.367 -0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 47 14.927 -11.693 -2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 47 13.952 -11.473 -0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.963 -8.853 -2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 47 17.366 -8.966 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.988 -10.308 -2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 47 12.783 -10.575 -2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 47 13.162 -9.262 -1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.153 -9.485 -2.986 1.00 0.00 H new ATOM 795 N LYS A 48 18.854 -11.417 -0.348 1.00 0.00 N ATOM 796 CA LYS A 48 20.304 -11.051 -0.307 1.00 0.00 C ATOM 797 C LYS A 48 20.768 -10.734 -1.733 1.00 0.00 C ATOM 798 O LYS A 48 21.779 -10.095 -1.940 1.00 0.00 O ATOM 799 CB LYS A 48 21.116 -12.231 0.246 1.00 0.00 C ATOM 800 CG LYS A 48 20.885 -12.380 1.768 1.00 0.00 C ATOM 801 CD LYS A 48 21.875 -11.501 2.548 1.00 0.00 C ATOM 802 CE LYS A 48 21.549 -11.561 4.043 1.00 0.00 C ATOM 803 NZ LYS A 48 21.864 -12.922 4.573 1.00 0.00 N ATOM 0 H LYS A 48 18.646 -12.271 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 48 20.452 -10.183 0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.827 -13.150 -0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.176 -12.076 0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.862 -12.096 2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.006 -13.423 2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.895 -11.843 2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.819 -10.471 2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 48 22.125 -10.808 4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.496 -11.332 4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.837 -12.904 5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 21.162 -13.603 4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 22.812 -13.207 4.256 1.00 0.00 H new ATOM 817 N GLU A 49 20.024 -11.176 -2.720 1.00 0.00 N ATOM 818 CA GLU A 49 20.399 -10.905 -4.143 1.00 0.00 C ATOM 819 C GLU A 49 19.540 -9.755 -4.682 1.00 0.00 C ATOM 820 O GLU A 49 18.432 -9.531 -4.235 1.00 0.00 O ATOM 821 CB GLU A 49 20.150 -12.164 -4.982 1.00 0.00 C ATOM 822 CG GLU A 49 18.850 -12.830 -4.532 1.00 0.00 C ATOM 823 CD GLU A 49 18.477 -13.932 -5.524 1.00 0.00 C ATOM 824 OE1 GLU A 49 19.350 -14.354 -6.263 1.00 0.00 O ATOM 825 OE2 GLU A 49 17.325 -14.334 -5.526 1.00 0.00 O ATOM 0 H GLU A 49 19.168 -11.716 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 49 21.453 -10.632 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.090 -11.903 -6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.983 -12.858 -4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 49 18.970 -13.249 -3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.051 -12.091 -4.474 1.00 0.00 H new ATOM 832 N GLN A 50 20.045 -9.016 -5.637 1.00 0.00 N ATOM 833 CA GLN A 50 19.261 -7.874 -6.202 1.00 0.00 C ATOM 834 C GLN A 50 18.463 -8.329 -7.428 1.00 0.00 C ATOM 835 O GLN A 50 17.421 -7.786 -7.734 1.00 0.00 O ATOM 836 CB GLN A 50 20.227 -6.761 -6.617 1.00 0.00 C ATOM 837 CG GLN A 50 21.388 -7.354 -7.418 1.00 0.00 C ATOM 838 CD GLN A 50 22.168 -6.222 -8.087 1.00 0.00 C ATOM 839 OE1 GLN A 50 22.905 -6.444 -9.029 1.00 0.00 O ATOM 840 NE2 GLN A 50 22.033 -5.005 -7.638 1.00 0.00 N ATOM 0 H GLN A 50 20.967 -9.154 -6.051 1.00 0.00 H new ATOM 0 HA GLN A 50 18.568 -7.510 -5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 50 19.703 -6.017 -7.216 1.00 0.00 H new ATOM 0 HB3 GLN A 50 20.607 -6.249 -5.733 1.00 0.00 H new ATOM 0 HG2 GLN A 50 22.044 -7.925 -6.761 1.00 0.00 H new ATOM 0 HG3 GLN A 50 21.010 -8.046 -8.171 1.00 0.00 H new ATOM 0 HE21 GLN A 50 21.415 -4.818 -6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 50 22.545 -4.240 -8.077 1.00 0.00 H new ATOM 849 N GLU A 51 18.953 -9.307 -8.140 1.00 0.00 N ATOM 850 CA GLU A 51 18.237 -9.783 -9.357 1.00 0.00 C ATOM 851 C GLU A 51 16.748 -9.927 -9.071 1.00 0.00 C ATOM 852 O GLU A 51 15.918 -9.678 -9.923 1.00 0.00 O ATOM 853 CB GLU A 51 18.812 -11.131 -9.803 1.00 0.00 C ATOM 854 CG GLU A 51 20.271 -10.945 -10.231 1.00 0.00 C ATOM 855 CD GLU A 51 20.790 -12.238 -10.862 1.00 0.00 C ATOM 856 OE1 GLU A 51 21.218 -13.108 -10.121 1.00 0.00 O ATOM 857 OE2 GLU A 51 20.752 -12.338 -12.076 1.00 0.00 O ATOM 0 H GLU A 51 19.822 -9.798 -7.930 1.00 0.00 H new ATOM 0 HA GLU A 51 18.373 -9.052 -10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.750 -11.853 -8.989 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.227 -11.533 -10.630 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.350 -10.124 -10.943 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.882 -10.678 -9.369 1.00 0.00 H new ATOM 864 N VAL A 52 16.391 -10.298 -7.880 1.00 0.00 N ATOM 865 CA VAL A 52 14.946 -10.418 -7.566 1.00 0.00 C ATOM 866 C VAL A 52 14.383 -9.021 -7.420 1.00 0.00 C ATOM 867 O VAL A 52 13.280 -8.735 -7.839 1.00 0.00 O ATOM 868 CB VAL A 52 14.743 -11.208 -6.270 1.00 0.00 C ATOM 869 CG1 VAL A 52 15.174 -12.659 -6.486 1.00 0.00 C ATOM 870 CG2 VAL A 52 15.583 -10.589 -5.150 1.00 0.00 C ATOM 0 H VAL A 52 17.029 -10.522 -7.116 1.00 0.00 H new ATOM 0 HA VAL A 52 14.433 -10.952 -8.366 1.00 0.00 H new ATOM 0 HB VAL A 52 13.690 -11.177 -5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 52 15.030 -13.222 -5.564 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.573 -13.103 -7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.226 -12.688 -6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.436 -11.154 -4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.637 -10.616 -5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.276 -9.555 -4.994 1.00 0.00 H new ATOM 880 N VAL A 53 15.142 -8.136 -6.853 1.00 0.00 N ATOM 881 CA VAL A 53 14.655 -6.749 -6.709 1.00 0.00 C ATOM 882 C VAL A 53 14.524 -6.186 -8.121 1.00 0.00 C ATOM 883 O VAL A 53 13.749 -5.293 -8.381 1.00 0.00 O ATOM 884 CB VAL A 53 15.637 -5.942 -5.811 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.455 -4.926 -6.618 1.00 0.00 C ATOM 886 CG2 VAL A 53 14.860 -5.195 -4.725 1.00 0.00 C ATOM 0 H VAL A 53 16.076 -8.314 -6.484 1.00 0.00 H new ATOM 0 HA VAL A 53 13.685 -6.692 -6.215 1.00 0.00 H new ATOM 0 HB VAL A 53 16.325 -6.660 -5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.126 -4.386 -5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.040 -5.449 -7.375 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.781 -4.220 -7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.555 -4.633 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.153 -4.508 -5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.317 -5.911 -4.108 1.00 0.00 H new ATOM 896 N ASP A 54 15.265 -6.735 -9.041 1.00 0.00 N ATOM 897 CA ASP A 54 15.160 -6.262 -10.445 1.00 0.00 C ATOM 898 C ASP A 54 13.894 -6.872 -11.035 1.00 0.00 C ATOM 899 O ASP A 54 13.213 -6.269 -11.841 1.00 0.00 O ATOM 900 CB ASP A 54 16.377 -6.714 -11.253 1.00 0.00 C ATOM 901 CG ASP A 54 17.642 -6.085 -10.675 1.00 0.00 C ATOM 902 OD1 ASP A 54 17.521 -5.079 -9.996 1.00 0.00 O ATOM 903 OD2 ASP A 54 18.709 -6.621 -10.920 1.00 0.00 O ATOM 0 H ASP A 54 15.935 -7.487 -8.881 1.00 0.00 H new ATOM 0 HA ASP A 54 15.121 -5.173 -10.477 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.457 -7.801 -11.231 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.260 -6.424 -12.297 1.00 0.00 H new ATOM 908 N LYS A 55 13.569 -8.070 -10.624 1.00 0.00 N ATOM 909 CA LYS A 55 12.336 -8.731 -11.144 1.00 0.00 C ATOM 910 C LYS A 55 11.106 -8.167 -10.420 1.00 0.00 C ATOM 911 O LYS A 55 10.137 -7.779 -11.038 1.00 0.00 O ATOM 912 CB LYS A 55 12.430 -10.247 -10.910 1.00 0.00 C ATOM 913 CG LYS A 55 11.072 -10.937 -11.210 1.00 0.00 C ATOM 914 CD LYS A 55 10.298 -11.200 -9.902 1.00 0.00 C ATOM 915 CE LYS A 55 8.793 -11.278 -10.185 1.00 0.00 C ATOM 916 NZ LYS A 55 8.059 -11.450 -8.899 1.00 0.00 N ATOM 0 H LYS A 55 14.104 -8.619 -9.951 1.00 0.00 H new ATOM 0 HA LYS A 55 12.242 -8.538 -12.213 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.207 -10.670 -11.547 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.722 -10.443 -9.878 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.476 -10.308 -11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.243 -11.878 -11.733 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.639 -12.131 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.500 -10.404 -9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.459 -10.372 -10.690 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.580 -12.112 -10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.037 -11.503 -9.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.372 -12.327 -8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.255 -10.640 -8.277 1.00 0.00 H new ATOM 930 N VAL A 56 11.132 -8.111 -9.115 1.00 0.00 N ATOM 931 CA VAL A 56 9.959 -7.563 -8.377 1.00 0.00 C ATOM 932 C VAL A 56 9.639 -6.183 -8.953 1.00 0.00 C ATOM 933 O VAL A 56 8.495 -5.819 -9.135 1.00 0.00 O ATOM 934 CB VAL A 56 10.287 -7.473 -6.867 1.00 0.00 C ATOM 935 CG1 VAL A 56 11.001 -6.155 -6.531 1.00 0.00 C ATOM 936 CG2 VAL A 56 8.999 -7.558 -6.047 1.00 0.00 C ATOM 0 H VAL A 56 11.910 -8.419 -8.532 1.00 0.00 H new ATOM 0 HA VAL A 56 9.092 -8.214 -8.491 1.00 0.00 H new ATOM 0 HB VAL A 56 10.946 -8.305 -6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.218 -6.121 -5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.933 -6.092 -7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.359 -5.315 -6.798 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.239 -7.494 -4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.339 -6.735 -6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.500 -8.506 -6.250 1.00 0.00 H new ATOM 946 N MET A 57 10.653 -5.423 -9.244 1.00 0.00 N ATOM 947 CA MET A 57 10.428 -4.071 -9.818 1.00 0.00 C ATOM 948 C MET A 57 9.655 -4.210 -11.134 1.00 0.00 C ATOM 949 O MET A 57 8.862 -3.363 -11.495 1.00 0.00 O ATOM 950 CB MET A 57 11.785 -3.405 -10.067 1.00 0.00 C ATOM 951 CG MET A 57 12.401 -2.973 -8.727 1.00 0.00 C ATOM 952 SD MET A 57 11.759 -1.342 -8.273 1.00 0.00 S ATOM 953 CE MET A 57 13.318 -0.430 -8.364 1.00 0.00 C ATOM 0 H MET A 57 11.631 -5.680 -9.109 1.00 0.00 H new ATOM 0 HA MET A 57 9.849 -3.456 -9.128 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.453 -4.098 -10.579 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.663 -2.540 -10.718 1.00 0.00 H new ATOM 0 HG2 MET A 57 12.160 -3.700 -7.952 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.488 -2.940 -8.807 1.00 0.00 H new ATOM 0 HE1 MET A 57 13.149 0.609 -8.081 1.00 0.00 H new ATOM 0 HE2 MET A 57 14.042 -0.878 -7.684 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.704 -0.470 -9.383 1.00 0.00 H new ATOM 963 N GLU A 58 9.870 -5.285 -11.844 1.00 0.00 N ATOM 964 CA GLU A 58 9.140 -5.490 -13.127 1.00 0.00 C ATOM 965 C GLU A 58 7.652 -5.649 -12.836 1.00 0.00 C ATOM 966 O GLU A 58 6.808 -5.190 -13.582 1.00 0.00 O ATOM 967 CB GLU A 58 9.662 -6.757 -13.822 1.00 0.00 C ATOM 968 CG GLU A 58 9.049 -6.876 -15.226 1.00 0.00 C ATOM 969 CD GLU A 58 7.658 -7.513 -15.140 1.00 0.00 C ATOM 970 OE1 GLU A 58 7.509 -8.468 -14.396 1.00 0.00 O ATOM 971 OE2 GLU A 58 6.767 -7.034 -15.822 1.00 0.00 O ATOM 0 H GLU A 58 10.520 -6.029 -11.591 1.00 0.00 H new ATOM 0 HA GLU A 58 9.299 -4.630 -13.778 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.749 -6.721 -13.893 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.410 -7.637 -13.230 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.978 -5.890 -15.685 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.695 -7.479 -15.864 1.00 0.00 H new ATOM 978 N THR A 59 7.323 -6.297 -11.758 1.00 0.00 N ATOM 979 CA THR A 59 5.887 -6.489 -11.413 1.00 0.00 C ATOM 980 C THR A 59 5.343 -5.232 -10.738 1.00 0.00 C ATOM 981 O THR A 59 4.176 -4.910 -10.857 1.00 0.00 O ATOM 982 CB THR A 59 5.733 -7.670 -10.450 1.00 0.00 C ATOM 983 OG1 THR A 59 6.435 -8.796 -10.956 1.00 0.00 O ATOM 984 CG2 THR A 59 4.253 -8.014 -10.305 1.00 0.00 C ATOM 0 H THR A 59 7.986 -6.704 -11.098 1.00 0.00 H new ATOM 0 HA THR A 59 5.332 -6.687 -12.330 1.00 0.00 H new ATOM 0 HB THR A 59 6.143 -7.400 -9.477 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.336 -9.549 -10.337 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.140 -8.854 -9.620 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.716 -7.151 -9.912 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.845 -8.283 -11.279 1.00 0.00 H new ATOM 992 N LEU A 60 6.169 -4.532 -10.003 1.00 0.00 N ATOM 993 CA LEU A 60 5.682 -3.308 -9.285 1.00 0.00 C ATOM 994 C LEU A 60 5.931 -2.040 -10.115 1.00 0.00 C ATOM 995 O LEU A 60 5.041 -1.230 -10.278 1.00 0.00 O ATOM 996 CB LEU A 60 6.409 -3.198 -7.935 1.00 0.00 C ATOM 997 CG LEU A 60 5.701 -4.061 -6.877 1.00 0.00 C ATOM 998 CD1 LEU A 60 4.305 -3.486 -6.542 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.562 -5.499 -7.397 1.00 0.00 C ATOM 0 H LEU A 60 7.156 -4.751 -9.867 1.00 0.00 H new ATOM 0 HA LEU A 60 4.607 -3.399 -9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.444 -3.521 -8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.432 -2.158 -7.610 1.00 0.00 H new ATOM 0 HG LEU A 60 6.300 -4.057 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.824 -4.113 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.412 -2.473 -6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.694 -3.466 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.060 -6.110 -6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.976 -5.499 -8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.551 -5.910 -7.598 1.00 0.00 H new ATOM 1011 N ASP A 61 7.109 -1.839 -10.645 1.00 0.00 N ATOM 1012 CA ASP A 61 7.347 -0.604 -11.454 1.00 0.00 C ATOM 1013 C ASP A 61 6.326 -0.538 -12.577 1.00 0.00 C ATOM 1014 O ASP A 61 6.404 -1.242 -13.564 1.00 0.00 O ATOM 1015 CB ASP A 61 8.767 -0.637 -12.010 1.00 0.00 C ATOM 1016 CG ASP A 61 9.132 0.736 -12.573 1.00 0.00 C ATOM 1017 OD1 ASP A 61 8.343 1.656 -12.408 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.195 0.848 -13.159 1.00 0.00 O ATOM 0 H ASP A 61 7.908 -2.467 -10.556 1.00 0.00 H new ATOM 0 HA ASP A 61 7.237 0.284 -10.832 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.469 -0.917 -11.224 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.845 -1.393 -12.791 1.00 0.00 H new ATOM 1023 N GLU A 62 5.355 0.311 -12.409 1.00 0.00 N ATOM 1024 CA GLU A 62 4.282 0.458 -13.430 1.00 0.00 C ATOM 1025 C GLU A 62 4.685 1.537 -14.420 1.00 0.00 C ATOM 1026 O GLU A 62 4.569 1.374 -15.618 1.00 0.00 O ATOM 1027 CB GLU A 62 2.970 0.836 -12.735 1.00 0.00 C ATOM 1028 CG GLU A 62 3.092 2.235 -12.121 1.00 0.00 C ATOM 1029 CD GLU A 62 1.970 2.446 -11.101 1.00 0.00 C ATOM 1030 OE1 GLU A 62 1.754 1.558 -10.292 1.00 0.00 O ATOM 1031 OE2 GLU A 62 1.348 3.495 -11.143 1.00 0.00 O ATOM 0 H GLU A 62 5.257 0.919 -11.596 1.00 0.00 H new ATOM 0 HA GLU A 62 4.140 -0.482 -13.964 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.149 0.814 -13.451 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.736 0.107 -11.959 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.063 2.348 -11.638 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.034 2.993 -12.902 1.00 0.00 H new ATOM 1038 N ASP A 63 5.185 2.627 -13.932 1.00 0.00 N ATOM 1039 CA ASP A 63 5.620 3.698 -14.852 1.00 0.00 C ATOM 1040 C ASP A 63 6.935 3.252 -15.475 1.00 0.00 C ATOM 1041 O ASP A 63 7.487 3.916 -16.331 1.00 0.00 O ATOM 1042 CB ASP A 63 5.821 5.002 -14.070 1.00 0.00 C ATOM 1043 CG ASP A 63 6.423 4.687 -12.700 1.00 0.00 C ATOM 1044 OD1 ASP A 63 7.168 3.727 -12.608 1.00 0.00 O ATOM 1045 OD2 ASP A 63 6.124 5.408 -11.764 1.00 0.00 O ATOM 0 H ASP A 63 5.311 2.822 -12.939 1.00 0.00 H new ATOM 0 HA ASP A 63 4.872 3.877 -15.624 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.479 5.672 -14.623 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.868 5.518 -13.951 1.00 0.00 H new ATOM 1050 N GLY A 64 7.447 2.120 -15.054 1.00 0.00 N ATOM 1051 CA GLY A 64 8.726 1.646 -15.639 1.00 0.00 C ATOM 1052 C GLY A 64 9.776 2.719 -15.401 1.00 0.00 C ATOM 1053 O GLY A 64 10.527 3.076 -16.283 1.00 0.00 O ATOM 0 H GLY A 64 7.037 1.517 -14.341 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.030 0.706 -15.179 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.610 1.456 -16.706 1.00 0.00 H new ATOM 1057 N ASP A 65 9.819 3.252 -14.207 1.00 0.00 N ATOM 1058 CA ASP A 65 10.810 4.326 -13.904 1.00 0.00 C ATOM 1059 C ASP A 65 12.037 3.705 -13.249 1.00 0.00 C ATOM 1060 O ASP A 65 13.008 4.377 -12.963 1.00 0.00 O ATOM 1061 CB ASP A 65 10.183 5.347 -12.948 1.00 0.00 C ATOM 1062 CG ASP A 65 9.570 4.622 -11.747 1.00 0.00 C ATOM 1063 OD1 ASP A 65 9.877 3.458 -11.562 1.00 0.00 O ATOM 1064 OD2 ASP A 65 8.803 5.248 -11.030 1.00 0.00 O ATOM 0 H ASP A 65 9.212 2.990 -13.431 1.00 0.00 H new ATOM 0 HA ASP A 65 11.100 4.827 -14.828 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.940 6.055 -12.610 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.417 5.923 -13.467 1.00 0.00 H new ATOM 1069 N GLY A 66 12.000 2.429 -12.999 1.00 0.00 N ATOM 1070 CA GLY A 66 13.168 1.778 -12.348 1.00 0.00 C ATOM 1071 C GLY A 66 13.155 2.154 -10.875 1.00 0.00 C ATOM 1072 O GLY A 66 14.005 1.752 -10.104 1.00 0.00 O ATOM 0 H GLY A 66 11.218 1.811 -13.215 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.115 0.696 -12.465 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.096 2.105 -12.816 1.00 0.00 H new ATOM 1076 N GLU A 67 12.176 2.925 -10.484 1.00 0.00 N ATOM 1077 CA GLU A 67 12.048 3.353 -9.063 1.00 0.00 C ATOM 1078 C GLU A 67 10.653 2.963 -8.576 1.00 0.00 C ATOM 1079 O GLU A 67 9.819 2.546 -9.354 1.00 0.00 O ATOM 1080 CB GLU A 67 12.230 4.872 -8.973 1.00 0.00 C ATOM 1081 CG GLU A 67 13.705 5.216 -9.211 1.00 0.00 C ATOM 1082 CD GLU A 67 13.846 6.707 -9.525 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.080 7.199 -10.338 1.00 0.00 O ATOM 1084 OE2 GLU A 67 14.721 7.334 -8.946 1.00 0.00 O ATOM 0 H GLU A 67 11.447 3.282 -11.102 1.00 0.00 H new ATOM 0 HA GLU A 67 12.807 2.872 -8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.604 5.370 -9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.913 5.231 -7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.294 4.964 -8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.098 4.622 -10.037 1.00 0.00 H new ATOM 1091 N CYS A 68 10.397 3.078 -7.298 1.00 0.00 N ATOM 1092 CA CYS A 68 9.053 2.699 -6.752 1.00 0.00 C ATOM 1093 C CYS A 68 8.429 3.884 -6.024 1.00 0.00 C ATOM 1094 O CYS A 68 8.646 4.089 -4.842 1.00 0.00 O ATOM 1095 CB CYS A 68 9.204 1.533 -5.775 1.00 0.00 C ATOM 1096 SG CYS A 68 9.561 0.019 -6.699 1.00 0.00 S ATOM 0 H CYS A 68 11.062 3.419 -6.604 1.00 0.00 H new ATOM 0 HA CYS A 68 8.408 2.405 -7.580 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.007 1.738 -5.067 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.290 1.411 -5.193 1.00 0.00 H new ATOM 0 HG CYS A 68 10.718 0.129 -7.281 1.00 0.00 H new ATOM 1102 N ASP A 69 7.663 4.672 -6.726 1.00 0.00 N ATOM 1103 CA ASP A 69 7.008 5.845 -6.091 1.00 0.00 C ATOM 1104 C ASP A 69 6.312 5.381 -4.810 1.00 0.00 C ATOM 1105 O ASP A 69 6.336 4.217 -4.480 1.00 0.00 O ATOM 1106 CB ASP A 69 5.981 6.427 -7.063 1.00 0.00 C ATOM 1107 CG ASP A 69 5.280 7.622 -6.421 1.00 0.00 C ATOM 1108 OD1 ASP A 69 5.862 8.216 -5.529 1.00 0.00 O ATOM 1109 OD2 ASP A 69 4.171 7.920 -6.833 1.00 0.00 O ATOM 0 H ASP A 69 7.463 4.551 -7.719 1.00 0.00 H new ATOM 0 HA ASP A 69 7.745 6.610 -5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.474 6.735 -7.985 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.249 5.666 -7.332 1.00 0.00 H new ATOM 1114 N PHE A 70 5.698 6.274 -4.082 1.00 0.00 N ATOM 1115 CA PHE A 70 5.019 5.866 -2.816 1.00 0.00 C ATOM 1116 C PHE A 70 3.726 5.075 -3.111 1.00 0.00 C ATOM 1117 O PHE A 70 3.301 4.255 -2.320 1.00 0.00 O ATOM 1118 CB PHE A 70 4.691 7.122 -1.983 1.00 0.00 C ATOM 1119 CG PHE A 70 4.494 8.320 -2.896 1.00 0.00 C ATOM 1120 CD1 PHE A 70 3.362 8.402 -3.715 1.00 0.00 C ATOM 1121 CD2 PHE A 70 5.443 9.350 -2.917 1.00 0.00 C ATOM 1122 CE1 PHE A 70 3.178 9.508 -4.553 1.00 0.00 C ATOM 1123 CE2 PHE A 70 5.261 10.457 -3.758 1.00 0.00 C ATOM 1124 CZ PHE A 70 4.127 10.534 -4.576 1.00 0.00 C ATOM 0 H PHE A 70 5.637 7.267 -4.307 1.00 0.00 H new ATOM 0 HA PHE A 70 5.690 5.217 -2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.789 6.952 -1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.499 7.321 -1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.628 7.610 -3.700 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.316 9.291 -2.284 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.302 9.569 -5.182 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.995 11.249 -3.775 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.986 11.386 -5.225 1.00 0.00 H new ATOM 1134 N GLN A 71 3.080 5.334 -4.216 1.00 0.00 N ATOM 1135 CA GLN A 71 1.802 4.624 -4.524 1.00 0.00 C ATOM 1136 C GLN A 71 2.058 3.169 -4.928 1.00 0.00 C ATOM 1137 O GLN A 71 1.316 2.281 -4.550 1.00 0.00 O ATOM 1138 CB GLN A 71 1.052 5.358 -5.646 1.00 0.00 C ATOM 1139 CG GLN A 71 1.949 5.520 -6.885 1.00 0.00 C ATOM 1140 CD GLN A 71 1.916 4.245 -7.729 1.00 0.00 C ATOM 1141 OE1 GLN A 71 1.188 3.321 -7.428 1.00 0.00 O ATOM 1142 NE2 GLN A 71 2.681 4.157 -8.782 1.00 0.00 N ATOM 0 H GLN A 71 3.381 6.007 -4.920 1.00 0.00 H new ATOM 0 HA GLN A 71 1.190 4.621 -3.622 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.152 4.803 -5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.729 6.338 -5.294 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.610 6.368 -7.480 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.972 5.735 -6.577 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.292 4.933 -9.035 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.668 3.312 -9.353 1.00 0.00 H new ATOM 1151 N GLU A 72 3.106 2.889 -5.661 1.00 0.00 N ATOM 1152 CA GLU A 72 3.376 1.469 -6.037 1.00 0.00 C ATOM 1153 C GLU A 72 4.249 0.842 -4.950 1.00 0.00 C ATOM 1154 O GLU A 72 4.102 -0.314 -4.609 1.00 0.00 O ATOM 1155 CB GLU A 72 4.067 1.407 -7.407 1.00 0.00 C ATOM 1156 CG GLU A 72 5.525 1.900 -7.320 1.00 0.00 C ATOM 1157 CD GLU A 72 5.953 2.509 -8.662 1.00 0.00 C ATOM 1158 OE1 GLU A 72 5.611 1.938 -9.685 1.00 0.00 O ATOM 1159 OE2 GLU A 72 6.612 3.535 -8.642 1.00 0.00 O ATOM 0 H GLU A 72 3.778 3.572 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 72 2.442 0.913 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.048 0.383 -7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.516 2.017 -8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.620 2.642 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.183 1.071 -7.061 1.00 0.00 H new ATOM 1166 N PHE A 73 5.140 1.603 -4.381 1.00 0.00 N ATOM 1167 CA PHE A 73 5.998 1.057 -3.291 1.00 0.00 C ATOM 1168 C PHE A 73 5.088 0.409 -2.259 1.00 0.00 C ATOM 1169 O PHE A 73 5.312 -0.687 -1.802 1.00 0.00 O ATOM 1170 CB PHE A 73 6.771 2.214 -2.651 1.00 0.00 C ATOM 1171 CG PHE A 73 7.334 1.850 -1.291 1.00 0.00 C ATOM 1172 CD1 PHE A 73 7.757 0.543 -0.996 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.447 2.855 -0.322 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.291 0.255 0.265 1.00 0.00 C ATOM 1175 CE2 PHE A 73 7.984 2.566 0.932 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.405 1.270 1.225 1.00 0.00 C ATOM 0 H PHE A 73 5.312 2.579 -4.622 1.00 0.00 H new ATOM 0 HA PHE A 73 6.705 0.322 -3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.586 2.512 -3.311 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.112 3.076 -2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.670 -0.236 -1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.117 3.858 -0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.615 -0.748 0.498 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.074 3.345 1.675 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.821 1.047 2.196 1.00 0.00 H new ATOM 1186 N MET A 74 4.040 1.073 -1.910 1.00 0.00 N ATOM 1187 CA MET A 74 3.099 0.481 -0.941 1.00 0.00 C ATOM 1188 C MET A 74 2.581 -0.809 -1.567 1.00 0.00 C ATOM 1189 O MET A 74 2.486 -1.838 -0.928 1.00 0.00 O ATOM 1190 CB MET A 74 1.960 1.489 -0.708 1.00 0.00 C ATOM 1191 CG MET A 74 1.449 1.438 0.743 1.00 0.00 C ATOM 1192 SD MET A 74 -0.305 1.890 0.775 1.00 0.00 S ATOM 1193 CE MET A 74 -0.499 1.918 2.571 1.00 0.00 C ATOM 0 H MET A 74 3.792 2.001 -2.253 1.00 0.00 H new ATOM 0 HA MET A 74 3.563 0.260 0.020 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.311 2.495 -0.936 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.138 1.276 -1.392 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.586 0.438 1.154 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.024 2.121 1.368 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.543 1.735 2.827 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.125 1.143 3.016 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.196 2.892 2.954 1.00 0.00 H new ATOM 1203 N ALA A 75 2.227 -0.742 -2.818 1.00 0.00 N ATOM 1204 CA ALA A 75 1.690 -1.962 -3.493 1.00 0.00 C ATOM 1205 C ALA A 75 2.654 -3.133 -3.274 1.00 0.00 C ATOM 1206 O ALA A 75 2.280 -4.284 -3.391 1.00 0.00 O ATOM 1207 CB ALA A 75 1.516 -1.699 -4.990 1.00 0.00 C ATOM 0 H ALA A 75 2.284 0.093 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 75 0.718 -2.211 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.124 -2.594 -5.474 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.820 -0.873 -5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.480 -1.442 -5.429 1.00 0.00 H new ATOM 1213 N PHE A 76 3.885 -2.856 -2.948 1.00 0.00 N ATOM 1214 CA PHE A 76 4.848 -3.977 -2.715 1.00 0.00 C ATOM 1215 C PHE A 76 4.553 -4.603 -1.348 1.00 0.00 C ATOM 1216 O PHE A 76 4.390 -5.800 -1.228 1.00 0.00 O ATOM 1217 CB PHE A 76 6.298 -3.471 -2.768 1.00 0.00 C ATOM 1218 CG PHE A 76 7.239 -4.550 -2.274 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.281 -5.790 -2.921 1.00 0.00 C ATOM 1220 CD2 PHE A 76 8.063 -4.311 -1.164 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.144 -6.792 -2.457 1.00 0.00 C ATOM 1222 CE2 PHE A 76 8.925 -5.309 -0.702 1.00 0.00 C ATOM 1223 CZ PHE A 76 8.966 -6.551 -1.347 1.00 0.00 C ATOM 0 H PHE A 76 4.266 -1.917 -2.833 1.00 0.00 H new ATOM 0 HA PHE A 76 4.728 -4.725 -3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.557 -3.190 -3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.403 -2.576 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.649 -5.975 -3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.031 -3.353 -0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.176 -7.750 -2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.559 -5.122 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.631 -7.323 -0.990 1.00 0.00 H new ATOM 1233 N VAL A 77 4.470 -3.805 -0.321 1.00 0.00 N ATOM 1234 CA VAL A 77 4.171 -4.364 1.028 1.00 0.00 C ATOM 1235 C VAL A 77 2.853 -5.149 0.963 1.00 0.00 C ATOM 1236 O VAL A 77 2.696 -6.174 1.598 1.00 0.00 O ATOM 1237 CB VAL A 77 4.026 -3.208 2.030 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.391 -3.710 3.330 1.00 0.00 C ATOM 1239 CG2 VAL A 77 5.397 -2.621 2.351 1.00 0.00 C ATOM 0 H VAL A 77 4.596 -2.793 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 77 4.978 -5.025 1.345 1.00 0.00 H new ATOM 0 HB VAL A 77 3.390 -2.444 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.294 -2.881 4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.405 -4.123 3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.022 -4.484 3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.285 -1.802 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.031 -3.394 2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.856 -2.247 1.436 1.00 0.00 H new ATOM 1249 N SER A 78 1.904 -4.669 0.204 1.00 0.00 N ATOM 1250 CA SER A 78 0.598 -5.375 0.105 1.00 0.00 C ATOM 1251 C SER A 78 0.805 -6.709 -0.593 1.00 0.00 C ATOM 1252 O SER A 78 0.131 -7.680 -0.320 1.00 0.00 O ATOM 1253 CB SER A 78 -0.399 -4.524 -0.693 1.00 0.00 C ATOM 1254 OG SER A 78 -1.133 -5.353 -1.594 1.00 0.00 O ATOM 0 H SER A 78 1.979 -3.817 -0.352 1.00 0.00 H new ATOM 0 HA SER A 78 0.199 -5.541 1.106 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.083 -4.016 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.132 -3.750 -1.248 1.00 0.00 H new ATOM 0 HG SER A 78 -2.073 -5.075 -1.602 1.00 0.00 H new ATOM 1260 N MET A 79 1.750 -6.769 -1.477 1.00 0.00 N ATOM 1261 CA MET A 79 2.020 -8.047 -2.181 1.00 0.00 C ATOM 1262 C MET A 79 2.664 -9.000 -1.179 1.00 0.00 C ATOM 1263 O MET A 79 2.540 -10.206 -1.267 1.00 0.00 O ATOM 1264 CB MET A 79 2.953 -7.786 -3.373 1.00 0.00 C ATOM 1265 CG MET A 79 3.080 -9.040 -4.268 1.00 0.00 C ATOM 1266 SD MET A 79 3.178 -8.535 -6.013 1.00 0.00 S ATOM 1267 CE MET A 79 4.941 -8.859 -6.278 1.00 0.00 C ATOM 0 H MET A 79 2.350 -5.988 -1.745 1.00 0.00 H new ATOM 0 HA MET A 79 1.101 -8.488 -2.566 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.570 -6.953 -3.962 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.938 -7.494 -3.010 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.969 -9.608 -3.992 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.223 -9.696 -4.116 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.206 -8.609 -7.305 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.530 -8.250 -5.593 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.149 -9.913 -6.096 1.00 0.00 H new ATOM 1277 N VAL A 80 3.314 -8.442 -0.197 1.00 0.00 N ATOM 1278 CA VAL A 80 3.945 -9.266 0.861 1.00 0.00 C ATOM 1279 C VAL A 80 2.882 -9.522 1.906 1.00 0.00 C ATOM 1280 O VAL A 80 2.825 -10.568 2.518 1.00 0.00 O ATOM 1281 CB VAL A 80 5.110 -8.501 1.508 1.00 0.00 C ATOM 1282 CG1 VAL A 80 5.722 -9.334 2.639 1.00 0.00 C ATOM 1283 CG2 VAL A 80 6.188 -8.211 0.462 1.00 0.00 C ATOM 0 H VAL A 80 3.434 -7.435 -0.084 1.00 0.00 H new ATOM 0 HA VAL A 80 4.334 -10.195 0.443 1.00 0.00 H new ATOM 0 HB VAL A 80 4.729 -7.563 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.547 -8.783 3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.963 -9.535 3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.093 -10.277 2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.011 -7.668 0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.559 -9.150 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.764 -7.607 -0.340 1.00 0.00 H new ATOM 1293 N THR A 81 2.031 -8.558 2.115 1.00 0.00 N ATOM 1294 CA THR A 81 0.960 -8.733 3.120 1.00 0.00 C ATOM 1295 C THR A 81 -0.072 -9.697 2.559 1.00 0.00 C ATOM 1296 O THR A 81 -0.667 -10.471 3.280 1.00 0.00 O ATOM 1297 CB THR A 81 0.284 -7.385 3.397 1.00 0.00 C ATOM 1298 OG1 THR A 81 1.273 -6.373 3.525 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.535 -7.471 4.682 1.00 0.00 C ATOM 0 H THR A 81 2.035 -7.660 1.632 1.00 0.00 H new ATOM 0 HA THR A 81 1.383 -9.121 4.047 1.00 0.00 H new ATOM 0 HB THR A 81 -0.379 -7.139 2.568 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.623 -6.144 2.639 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.013 -6.510 4.874 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.299 -8.242 4.576 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.121 -7.723 5.515 1.00 0.00 H new ATOM 1307 N THR A 82 -0.311 -9.641 1.276 1.00 0.00 N ATOM 1308 CA THR A 82 -1.337 -10.541 0.679 1.00 0.00 C ATOM 1309 C THR A 82 -0.906 -11.999 0.799 1.00 0.00 C ATOM 1310 O THR A 82 -1.708 -12.865 1.086 1.00 0.00 O ATOM 1311 CB THR A 82 -1.506 -10.179 -0.793 1.00 0.00 C ATOM 1312 OG1 THR A 82 -0.224 -10.022 -1.382 1.00 0.00 O ATOM 1313 CG2 THR A 82 -2.290 -8.867 -0.915 1.00 0.00 C ATOM 0 H THR A 82 0.157 -9.015 0.620 1.00 0.00 H new ATOM 0 HA THR A 82 -2.280 -10.416 1.211 1.00 0.00 H new ATOM 0 HB THR A 82 -2.052 -10.971 -1.305 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.063 -9.089 -1.296 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.409 -8.611 -1.968 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.272 -8.986 -0.457 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.747 -8.070 -0.407 1.00 0.00 H new ATOM 1321 N ALA A 83 0.348 -12.289 0.589 1.00 0.00 N ATOM 1322 CA ALA A 83 0.801 -13.698 0.703 1.00 0.00 C ATOM 1323 C ALA A 83 0.615 -14.152 2.147 1.00 0.00 C ATOM 1324 O ALA A 83 0.221 -15.269 2.415 1.00 0.00 O ATOM 1325 CB ALA A 83 2.280 -13.790 0.329 1.00 0.00 C ATOM 0 H ALA A 83 1.073 -11.614 0.345 1.00 0.00 H new ATOM 0 HA ALA A 83 0.221 -14.332 0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.613 -14.825 0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.418 -13.446 -0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.865 -13.165 1.003 1.00 0.00 H new ATOM 1331 N CYS A 84 0.889 -13.283 3.079 1.00 0.00 N ATOM 1332 CA CYS A 84 0.721 -13.651 4.513 1.00 0.00 C ATOM 1333 C CYS A 84 -0.767 -13.859 4.806 1.00 0.00 C ATOM 1334 O CYS A 84 -1.140 -14.455 5.796 1.00 0.00 O ATOM 1335 CB CYS A 84 1.251 -12.522 5.396 1.00 0.00 C ATOM 1336 SG CYS A 84 0.977 -12.940 7.135 1.00 0.00 S ATOM 0 H CYS A 84 1.222 -12.334 2.910 1.00 0.00 H new ATOM 0 HA CYS A 84 1.273 -14.567 4.721 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.314 -12.369 5.211 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.747 -11.587 5.151 1.00 0.00 H new ATOM 0 HG CYS A 84 0.005 -13.798 7.227 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.616 -13.360 3.949 1.00 0.00 N ATOM 1343 CA HIS A 85 -3.091 -13.506 4.155 1.00 0.00 C ATOM 1344 C HIS A 85 -3.635 -14.595 3.218 1.00 0.00 C ATOM 1345 O HIS A 85 -4.549 -15.311 3.563 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.761 -12.148 3.847 1.00 0.00 C ATOM 1347 CG HIS A 85 -5.204 -12.323 3.426 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.757 -11.592 2.385 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -6.215 -13.126 3.897 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -7.044 -11.963 2.265 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -7.376 -12.894 3.162 1.00 0.00 N ATOM 0 H HIS A 85 -1.351 -12.852 3.105 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.306 -13.796 5.183 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.713 -11.509 4.729 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.209 -11.640 3.056 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -5.275 -10.898 1.814 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.124 -13.829 4.712 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.726 -11.557 1.532 1.00 0.00 H new ATOM 1359 N GLU A 86 -3.098 -14.703 2.033 1.00 0.00 N ATOM 1360 CA GLU A 86 -3.609 -15.719 1.068 1.00 0.00 C ATOM 1361 C GLU A 86 -3.112 -17.122 1.428 1.00 0.00 C ATOM 1362 O GLU A 86 -3.865 -18.075 1.424 1.00 0.00 O ATOM 1363 CB GLU A 86 -3.137 -15.348 -0.342 1.00 0.00 C ATOM 1364 CG GLU A 86 -3.686 -16.356 -1.352 1.00 0.00 C ATOM 1365 CD GLU A 86 -3.558 -15.784 -2.769 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -4.342 -14.910 -3.105 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -2.680 -16.225 -3.492 1.00 0.00 O ATOM 0 H GLU A 86 -2.326 -14.131 1.691 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.698 -15.727 1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.475 -14.343 -0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.048 -15.337 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.139 -17.296 -1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.730 -16.576 -1.131 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.855 -17.266 1.723 1.00 0.00 N ATOM 1375 CA PHE A 87 -1.323 -18.620 2.060 1.00 0.00 C ATOM 1376 C PHE A 87 -1.957 -19.125 3.361 1.00 0.00 C ATOM 1377 O PHE A 87 -2.307 -20.283 3.478 1.00 0.00 O ATOM 1378 CB PHE A 87 0.203 -18.545 2.216 1.00 0.00 C ATOM 1379 CG PHE A 87 0.852 -18.573 0.846 1.00 0.00 C ATOM 1380 CD1 PHE A 87 0.590 -17.547 -0.070 1.00 0.00 C ATOM 1381 CD2 PHE A 87 1.707 -19.627 0.492 1.00 0.00 C ATOM 1382 CE1 PHE A 87 1.180 -17.572 -1.340 1.00 0.00 C ATOM 1383 CE2 PHE A 87 2.298 -19.651 -0.777 1.00 0.00 C ATOM 1384 CZ PHE A 87 2.035 -18.625 -1.693 1.00 0.00 C ATOM 0 H PHE A 87 -1.170 -16.510 1.747 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.571 -19.314 1.257 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.481 -17.633 2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.560 -19.382 2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.068 -16.735 0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.909 -20.419 1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.976 -16.781 -2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.957 -20.462 -1.050 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.491 -18.645 -2.672 1.00 0.00 H new ATOM 1394 N PHE A 88 -2.104 -18.277 4.342 1.00 0.00 N ATOM 1395 CA PHE A 88 -2.712 -18.726 5.628 1.00 0.00 C ATOM 1396 C PHE A 88 -4.233 -18.624 5.543 1.00 0.00 C ATOM 1397 O PHE A 88 -4.923 -18.612 6.545 1.00 0.00 O ATOM 1398 CB PHE A 88 -2.204 -17.844 6.767 1.00 0.00 C ATOM 1399 CG PHE A 88 -0.738 -18.123 7.006 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -0.355 -19.173 7.853 1.00 0.00 C ATOM 1401 CD2 PHE A 88 0.236 -17.334 6.385 1.00 0.00 C ATOM 1402 CE1 PHE A 88 1.004 -19.430 8.078 1.00 0.00 C ATOM 1403 CE2 PHE A 88 1.593 -17.591 6.613 1.00 0.00 C ATOM 1404 CZ PHE A 88 1.978 -18.638 7.460 1.00 0.00 C ATOM 0 H PHE A 88 -1.830 -17.295 4.310 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.431 -19.762 5.817 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.349 -16.793 6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.775 -18.039 7.675 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.107 -19.783 8.331 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.059 -16.527 5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.300 -20.240 8.729 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.345 -16.981 6.135 1.00 0.00 H new ATOM 0 HZ PHE A 88 3.025 -18.834 7.636 1.00 0.00 H new ATOM 1414 N GLU A 89 -4.766 -18.557 4.356 1.00 0.00 N ATOM 1415 CA GLU A 89 -6.244 -18.464 4.210 1.00 0.00 C ATOM 1416 C GLU A 89 -6.837 -19.871 4.249 1.00 0.00 C ATOM 1417 O GLU A 89 -6.778 -20.552 5.253 1.00 0.00 O ATOM 1418 CB GLU A 89 -6.586 -17.788 2.876 1.00 0.00 C ATOM 1419 CG GLU A 89 -8.072 -17.423 2.856 1.00 0.00 C ATOM 1420 CD GLU A 89 -8.303 -16.199 3.743 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -8.458 -16.378 4.940 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -8.313 -15.101 3.213 1.00 0.00 O ATOM 0 H GLU A 89 -4.242 -18.563 3.481 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.661 -17.871 5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.979 -16.893 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.353 -18.456 2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.393 -17.213 1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.669 -18.262 3.212 1.00 0.00 H new ATOM 1429 N HIS A 90 -7.410 -20.317 3.171 1.00 0.00 N ATOM 1430 CA HIS A 90 -8.001 -21.679 3.173 1.00 0.00 C ATOM 1431 C HIS A 90 -6.882 -22.721 3.198 1.00 0.00 C ATOM 1432 O HIS A 90 -6.287 -23.038 2.189 1.00 0.00 O ATOM 1433 CB HIS A 90 -8.855 -21.867 1.920 1.00 0.00 C ATOM 1434 CG HIS A 90 -9.452 -23.247 1.920 1.00 0.00 C ATOM 1435 ND1 HIS A 90 -8.743 -24.363 1.494 1.00 0.00 N ATOM 1436 CD2 HIS A 90 -10.688 -23.711 2.295 1.00 0.00 C ATOM 1437 CE1 HIS A 90 -9.554 -25.431 1.622 1.00 0.00 C ATOM 1438 NE2 HIS A 90 -10.747 -25.084 2.106 1.00 0.00 N ATOM 0 H HIS A 90 -7.495 -19.802 2.295 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.627 -21.803 4.056 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.646 -21.117 1.891 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.246 -21.723 1.027 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -7.784 -24.372 1.148 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -11.492 -23.100 2.679 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -9.273 -26.442 1.365 1.00 0.00 H new ATOM 1447 N GLU A 91 -6.595 -23.258 4.351 1.00 0.00 N ATOM 1448 CA GLU A 91 -5.518 -24.286 4.451 1.00 0.00 C ATOM 1449 C GLU A 91 -6.054 -25.632 3.973 1.00 0.00 C ATOM 1450 O GLU A 91 -6.618 -26.345 4.785 1.00 0.00 O ATOM 1451 CB GLU A 91 -5.054 -24.410 5.905 1.00 0.00 C ATOM 1452 CG GLU A 91 -3.869 -25.378 5.984 1.00 0.00 C ATOM 1453 CD GLU A 91 -3.161 -25.214 7.330 1.00 0.00 C ATOM 1454 OE1 GLU A 91 -2.691 -24.119 7.597 1.00 0.00 O ATOM 1455 OE2 GLU A 91 -3.100 -26.181 8.069 1.00 0.00 O ATOM 1456 OXT GLU A 91 -5.890 -25.930 2.803 1.00 0.00 O ATOM 0 H GLU A 91 -7.059 -23.030 5.230 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.675 -23.986 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.764 -23.432 6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.872 -24.769 6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.217 -26.404 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.172 -25.183 5.169 1.00 0.00 H new TER 1463 GLU A 91 ATOM 1464 N MET B 0 11.957 -1.792 16.149 1.00 0.00 N ATOM 1465 CA MET B 0 10.772 -2.680 15.995 1.00 0.00 C ATOM 1466 C MET B 0 10.354 -2.724 14.527 1.00 0.00 C ATOM 1467 O MET B 0 10.849 -1.978 13.703 1.00 0.00 O ATOM 1468 CB MET B 0 9.611 -2.145 16.838 1.00 0.00 C ATOM 1469 CG MET B 0 10.069 -1.958 18.285 1.00 0.00 C ATOM 1470 SD MET B 0 10.561 -3.560 18.967 1.00 0.00 S ATOM 1471 CE MET B 0 10.909 -3.009 20.656 1.00 0.00 C ATOM 0 H1 MET B 0 12.563 -2.151 16.914 1.00 0.00 H new ATOM 0 H2 MET B 0 12.496 -1.775 15.260 1.00 0.00 H new ATOM 0 H3 MET B 0 11.641 -0.829 16.381 1.00 0.00 H new ATOM 0 HA MET B 0 11.030 -3.684 16.332 1.00 0.00 H new ATOM 0 HB2 MET B 0 9.261 -1.196 16.432 1.00 0.00 H new ATOM 0 HB3 MET B 0 8.771 -2.838 16.799 1.00 0.00 H new ATOM 0 HG2 MET B 0 10.905 -1.260 18.327 1.00 0.00 H new ATOM 0 HG3 MET B 0 9.264 -1.528 18.881 1.00 0.00 H new ATOM 0 HE1 MET B 0 11.234 -3.859 21.256 1.00 0.00 H new ATOM 0 HE2 MET B 0 11.696 -2.255 20.638 1.00 0.00 H new ATOM 0 HE3 MET B 0 10.007 -2.581 21.092 1.00 0.00 H new ATOM 1483 N SER B 1 9.445 -3.599 14.192 1.00 0.00 N ATOM 1484 CA SER B 1 8.984 -3.709 12.776 1.00 0.00 C ATOM 1485 C SER B 1 7.728 -2.851 12.570 1.00 0.00 C ATOM 1486 O SER B 1 6.624 -3.352 12.484 1.00 0.00 O ATOM 1487 CB SER B 1 8.672 -5.172 12.470 1.00 0.00 C ATOM 1488 OG SER B 1 9.709 -5.993 12.992 1.00 0.00 O ATOM 0 H SER B 1 8.999 -4.247 14.841 1.00 0.00 H new ATOM 0 HA SER B 1 9.765 -3.353 12.104 1.00 0.00 H new ATOM 0 HB2 SER B 1 7.715 -5.451 12.910 1.00 0.00 H new ATOM 0 HB3 SER B 1 8.583 -5.319 11.394 1.00 0.00 H new ATOM 0 HG SER B 1 9.511 -6.933 12.799 1.00 0.00 H new ATOM 1494 N GLU B 2 7.899 -1.559 12.483 1.00 0.00 N ATOM 1495 CA GLU B 2 6.722 -0.662 12.274 1.00 0.00 C ATOM 1496 C GLU B 2 5.871 -1.210 11.131 1.00 0.00 C ATOM 1497 O GLU B 2 4.661 -1.105 11.133 1.00 0.00 O ATOM 1498 CB GLU B 2 7.190 0.753 11.920 1.00 0.00 C ATOM 1499 CG GLU B 2 7.787 1.412 13.166 1.00 0.00 C ATOM 1500 CD GLU B 2 8.236 2.836 12.834 1.00 0.00 C ATOM 1501 OE1 GLU B 2 8.811 3.021 11.774 1.00 0.00 O ATOM 1502 OE2 GLU B 2 8.006 3.715 13.647 1.00 0.00 O ATOM 0 H GLU B 2 8.800 -1.085 12.547 1.00 0.00 H new ATOM 0 HA GLU B 2 6.136 -0.623 13.192 1.00 0.00 H new ATOM 0 HB2 GLU B 2 7.933 0.715 11.123 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.353 1.343 11.547 1.00 0.00 H new ATOM 0 HG2 GLU B 2 7.049 1.431 13.968 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.634 0.829 13.527 1.00 0.00 H new ATOM 1509 N LEU B 3 6.494 -1.805 10.155 1.00 0.00 N ATOM 1510 CA LEU B 3 5.731 -2.363 9.005 1.00 0.00 C ATOM 1511 C LEU B 3 4.894 -3.564 9.471 1.00 0.00 C ATOM 1512 O LEU B 3 3.932 -3.936 8.831 1.00 0.00 O ATOM 1513 CB LEU B 3 6.738 -2.803 7.911 1.00 0.00 C ATOM 1514 CG LEU B 3 6.597 -1.953 6.627 1.00 0.00 C ATOM 1515 CD1 LEU B 3 5.310 -2.352 5.883 1.00 0.00 C ATOM 1516 CD2 LEU B 3 6.584 -0.441 6.965 1.00 0.00 C ATOM 0 H LEU B 3 7.505 -1.930 10.103 1.00 0.00 H new ATOM 0 HA LEU B 3 5.057 -1.608 8.600 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.754 -2.715 8.296 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.578 -3.854 7.671 1.00 0.00 H new ATOM 0 HG LEU B 3 7.456 -2.143 5.983 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.212 -1.752 4.978 1.00 0.00 H new ATOM 0 HD12 LEU B 3 5.357 -3.408 5.615 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.448 -2.179 6.528 1.00 0.00 H new ATOM 0 HD21 LEU B 3 6.484 0.136 6.046 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.744 -0.223 7.624 1.00 0.00 H new ATOM 0 HD23 LEU B 3 7.515 -0.172 7.463 1.00 0.00 H new ATOM 1528 N GLU B 4 5.226 -4.161 10.581 1.00 0.00 N ATOM 1529 CA GLU B 4 4.411 -5.315 11.052 1.00 0.00 C ATOM 1530 C GLU B 4 3.089 -4.774 11.576 1.00 0.00 C ATOM 1531 O GLU B 4 2.070 -5.436 11.546 1.00 0.00 O ATOM 1532 CB GLU B 4 5.143 -6.067 12.165 1.00 0.00 C ATOM 1533 CG GLU B 4 4.261 -7.211 12.682 1.00 0.00 C ATOM 1534 CD GLU B 4 5.026 -8.018 13.732 1.00 0.00 C ATOM 1535 OE1 GLU B 4 6.243 -8.032 13.670 1.00 0.00 O ATOM 1536 OE2 GLU B 4 4.376 -8.606 14.583 1.00 0.00 O ATOM 0 H GLU B 4 6.015 -3.905 11.175 1.00 0.00 H new ATOM 0 HA GLU B 4 4.240 -6.010 10.230 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.087 -6.463 11.790 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.385 -5.385 12.980 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.345 -6.809 13.115 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.967 -7.858 11.856 1.00 0.00 H new ATOM 1543 N LYS B 5 3.102 -3.561 12.042 1.00 0.00 N ATOM 1544 CA LYS B 5 1.851 -2.944 12.556 1.00 0.00 C ATOM 1545 C LYS B 5 0.914 -2.732 11.375 1.00 0.00 C ATOM 1546 O LYS B 5 -0.256 -3.050 11.419 1.00 0.00 O ATOM 1547 CB LYS B 5 2.139 -1.577 13.218 1.00 0.00 C ATOM 1548 CG LYS B 5 3.463 -1.589 14.003 1.00 0.00 C ATOM 1549 CD LYS B 5 3.322 -2.414 15.304 1.00 0.00 C ATOM 1550 CE LYS B 5 4.647 -3.112 15.617 1.00 0.00 C ATOM 1551 NZ LYS B 5 4.507 -3.901 16.873 1.00 0.00 N ATOM 0 H LYS B 5 3.929 -2.966 12.090 1.00 0.00 H new ATOM 0 HA LYS B 5 1.406 -3.600 13.304 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.178 -0.803 12.451 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.320 -1.319 13.890 1.00 0.00 H new ATOM 0 HG2 LYS B 5 4.255 -2.011 13.384 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.757 -0.568 14.245 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.039 -1.762 16.131 1.00 0.00 H new ATOM 0 HD3 LYS B 5 2.528 -3.152 15.194 1.00 0.00 H new ATOM 0 HE2 LYS B 5 4.929 -3.767 14.793 1.00 0.00 H new ATOM 0 HE3 LYS B 5 5.442 -2.375 15.725 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 5.407 -4.376 17.087 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 4.257 -3.265 17.657 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 3.759 -4.614 16.754 1.00 0.00 H new ATOM 1565 N ALA B 6 1.437 -2.186 10.320 1.00 0.00 N ATOM 1566 CA ALA B 6 0.606 -1.927 9.115 1.00 0.00 C ATOM 1567 C ALA B 6 0.129 -3.241 8.517 1.00 0.00 C ATOM 1568 O ALA B 6 -1.049 -3.444 8.301 1.00 0.00 O ATOM 1569 CB ALA B 6 1.441 -1.183 8.077 1.00 0.00 C ATOM 0 H ALA B 6 2.414 -1.905 10.238 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.258 -1.327 9.402 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.835 -0.991 7.192 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.782 -0.236 8.495 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.304 -1.789 7.801 1.00 0.00 H new ATOM 1575 N MET B 7 1.029 -4.128 8.231 1.00 0.00 N ATOM 1576 CA MET B 7 0.614 -5.420 7.626 1.00 0.00 C ATOM 1577 C MET B 7 -0.520 -6.041 8.447 1.00 0.00 C ATOM 1578 O MET B 7 -1.445 -6.610 7.908 1.00 0.00 O ATOM 1579 CB MET B 7 1.801 -6.392 7.602 1.00 0.00 C ATOM 1580 CG MET B 7 2.826 -5.959 6.552 1.00 0.00 C ATOM 1581 SD MET B 7 4.335 -6.948 6.764 1.00 0.00 S ATOM 1582 CE MET B 7 4.996 -6.802 5.083 1.00 0.00 C ATOM 0 H MET B 7 2.031 -4.019 8.388 1.00 0.00 H new ATOM 0 HA MET B 7 0.271 -5.234 6.608 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.271 -6.426 8.585 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.449 -7.400 7.382 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.421 -6.098 5.550 1.00 0.00 H new ATOM 0 HG3 MET B 7 3.052 -4.898 6.660 1.00 0.00 H new ATOM 0 HE1 MET B 7 5.723 -7.595 4.908 1.00 0.00 H new ATOM 0 HE2 MET B 7 4.182 -6.890 4.363 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.481 -5.833 4.966 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.455 -5.947 9.745 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.530 -6.549 10.589 1.00 0.00 C ATOM 1594 C VAL B 8 -2.747 -5.625 10.604 1.00 0.00 C ATOM 1595 O VAL B 8 -3.880 -6.069 10.578 1.00 0.00 O ATOM 1596 CB VAL B 8 -1.006 -6.739 12.014 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -2.145 -7.194 12.931 1.00 0.00 C ATOM 1598 CG2 VAL B 8 0.098 -7.799 12.008 1.00 0.00 C ATOM 0 H VAL B 8 0.293 -5.481 10.259 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.821 -7.516 10.178 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.607 -5.793 12.382 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.765 -7.327 13.944 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.932 -6.440 12.935 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.549 -8.139 12.568 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.475 -7.938 13.021 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.305 -8.742 11.638 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.912 -7.473 11.360 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.526 -4.345 10.651 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.671 -3.398 10.673 1.00 0.00 C ATOM 1610 C ALA B 9 -4.426 -3.475 9.340 1.00 0.00 C ATOM 1611 O ALA B 9 -5.624 -3.261 9.276 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.150 -1.976 10.896 1.00 0.00 C ATOM 0 H ALA B 9 -1.602 -3.913 10.675 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.350 -3.663 11.483 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.988 -1.280 10.912 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.620 -1.928 11.847 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.470 -1.707 10.088 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.736 -3.779 8.274 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.413 -3.867 6.946 1.00 0.00 C ATOM 1620 C LEU B 10 -5.138 -5.213 6.805 1.00 0.00 C ATOM 1621 O LEU B 10 -6.280 -5.265 6.419 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.353 -3.720 5.838 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.261 -2.260 5.377 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -2.802 -1.380 6.541 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -2.251 -2.163 4.237 1.00 0.00 C ATOM 0 H LEU B 10 -2.734 -3.970 8.264 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.152 -3.070 6.860 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.383 -4.053 6.207 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.609 -4.359 4.993 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.239 -1.921 5.036 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -2.738 -0.343 6.210 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -3.518 -1.456 7.359 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.822 -1.713 6.884 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -2.179 -1.128 3.902 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -1.275 -2.501 4.586 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.577 -2.791 3.408 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.479 -6.299 7.099 1.00 0.00 N ATOM 1638 CA ILE B 11 -5.127 -7.638 6.955 1.00 0.00 C ATOM 1639 C ILE B 11 -6.526 -7.596 7.568 1.00 0.00 C ATOM 1640 O ILE B 11 -7.457 -8.175 7.045 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.264 -8.694 7.668 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -3.028 -8.982 6.811 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -5.054 -9.996 7.867 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -1.986 -9.743 7.635 1.00 0.00 C ATOM 0 H ILE B 11 -3.516 -6.320 7.434 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.213 -7.898 5.900 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.971 -8.311 8.646 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.310 -9.568 5.936 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.603 -8.047 6.445 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.426 -10.729 8.373 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.938 -9.796 8.473 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.360 -10.388 6.897 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.110 -9.944 7.018 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.693 -9.142 8.496 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.412 -10.686 7.979 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.687 -6.915 8.663 1.00 0.00 N ATOM 1657 CA ASP B 12 -8.032 -6.845 9.289 1.00 0.00 C ATOM 1658 C ASP B 12 -8.964 -6.036 8.395 1.00 0.00 C ATOM 1659 O ASP B 12 -10.050 -6.465 8.068 1.00 0.00 O ATOM 1660 CB ASP B 12 -7.926 -6.170 10.657 1.00 0.00 C ATOM 1661 CG ASP B 12 -7.091 -7.039 11.597 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -6.825 -8.176 11.244 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -6.726 -6.548 12.654 1.00 0.00 O ATOM 0 H ASP B 12 -5.950 -6.406 9.150 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.428 -7.853 9.413 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.468 -5.186 10.553 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -8.921 -6.016 11.076 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.550 -4.868 8.002 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.414 -4.024 7.130 1.00 0.00 C ATOM 1670 C VAL B 13 -9.421 -4.575 5.700 1.00 0.00 C ATOM 1671 O VAL B 13 -10.362 -4.375 4.954 1.00 0.00 O ATOM 1672 CB VAL B 13 -8.892 -2.580 7.141 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -9.713 -1.730 6.173 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -9.006 -2.009 8.567 1.00 0.00 C ATOM 0 H VAL B 13 -7.649 -4.458 8.246 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.435 -4.040 7.510 1.00 0.00 H new ATOM 0 HB VAL B 13 -7.848 -2.565 6.828 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.341 -0.706 6.183 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -9.626 -2.138 5.166 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -10.759 -1.739 6.479 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.636 -0.984 8.579 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -10.049 -2.022 8.882 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -8.413 -2.617 9.251 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.382 -5.252 5.303 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.350 -5.788 3.909 1.00 0.00 C ATOM 1686 C PHE B 14 -9.320 -6.970 3.777 1.00 0.00 C ATOM 1687 O PHE B 14 -10.073 -7.057 2.828 1.00 0.00 O ATOM 1688 CB PHE B 14 -6.911 -6.229 3.547 1.00 0.00 C ATOM 1689 CG PHE B 14 -6.168 -5.079 2.896 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -6.297 -3.785 3.421 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -5.367 -5.301 1.767 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -5.623 -2.715 2.818 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -4.697 -4.230 1.164 1.00 0.00 C ATOM 1694 CZ PHE B 14 -4.825 -2.938 1.689 1.00 0.00 C ATOM 0 H PHE B 14 -7.561 -5.457 5.873 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.661 -5.004 3.218 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.384 -6.553 4.444 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.942 -7.083 2.870 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -6.916 -3.613 4.290 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -5.267 -6.298 1.363 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -5.719 -1.719 3.224 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -4.081 -4.400 0.293 1.00 0.00 H new ATOM 0 HZ PHE B 14 -4.308 -2.113 1.223 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.301 -7.883 4.706 1.00 0.00 N ATOM 1705 CA HIS B 15 -10.214 -9.059 4.607 1.00 0.00 C ATOM 1706 C HIS B 15 -11.651 -8.654 4.961 1.00 0.00 C ATOM 1707 O HIS B 15 -12.599 -9.197 4.432 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.731 -10.160 5.565 1.00 0.00 C ATOM 1709 CG HIS B 15 -10.188 -11.512 5.072 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -10.806 -12.431 5.901 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -10.115 -12.111 3.836 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -11.078 -13.525 5.164 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -10.676 -13.383 3.896 1.00 0.00 N ATOM 0 H HIS B 15 -8.696 -7.868 5.527 1.00 0.00 H new ATOM 0 HA HIS B 15 -10.202 -9.433 3.583 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.644 -10.139 5.637 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.121 -9.978 6.567 1.00 0.00 H new ATOM 0 HD1 HIS B 15 -11.017 -12.303 6.891 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -9.687 -11.662 2.952 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -11.562 -14.410 5.550 1.00 0.00 H new ATOM 1721 N GLN B 16 -11.829 -7.715 5.850 1.00 0.00 N ATOM 1722 CA GLN B 16 -13.216 -7.304 6.222 1.00 0.00 C ATOM 1723 C GLN B 16 -13.896 -6.645 5.021 1.00 0.00 C ATOM 1724 O GLN B 16 -15.055 -6.880 4.735 1.00 0.00 O ATOM 1725 CB GLN B 16 -13.169 -6.304 7.384 1.00 0.00 C ATOM 1726 CG GLN B 16 -12.883 -7.047 8.691 1.00 0.00 C ATOM 1727 CD GLN B 16 -14.110 -7.865 9.099 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -14.266 -8.996 8.681 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -14.991 -7.341 9.906 1.00 0.00 N ATOM 0 H GLN B 16 -11.081 -7.217 6.333 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.779 -8.187 6.525 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.397 -5.557 7.203 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -14.117 -5.771 7.457 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -12.022 -7.703 8.566 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -12.631 -6.335 9.477 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -14.860 -6.392 10.257 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -15.810 -7.880 10.186 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.180 -5.833 4.298 1.00 0.00 N ATOM 1739 CA TYR B 17 -13.786 -5.166 3.110 1.00 0.00 C ATOM 1740 C TYR B 17 -13.574 -6.040 1.876 1.00 0.00 C ATOM 1741 O TYR B 17 -14.516 -6.443 1.224 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.135 -3.789 2.913 1.00 0.00 C ATOM 1743 CG TYR B 17 -13.773 -2.790 3.855 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -13.466 -2.821 5.221 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -14.676 -1.841 3.364 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -14.061 -1.901 6.092 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -15.271 -0.923 4.235 1.00 0.00 C ATOM 1748 CZ TYR B 17 -14.963 -0.953 5.600 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.550 -0.050 6.461 1.00 0.00 O ATOM 0 H TYR B 17 -12.203 -5.601 4.476 1.00 0.00 H new ATOM 0 HA TYR B 17 -14.856 -5.030 3.264 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -12.063 -3.851 3.103 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.258 -3.461 1.881 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -12.771 -3.554 5.602 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -14.914 -1.817 2.311 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.823 -1.924 7.145 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -15.968 -0.191 3.855 1.00 0.00 H new ATOM 0 HH TYR B 17 -14.942 0.134 7.207 1.00 0.00 H new ATOM 1759 N SER B 18 -12.353 -6.347 1.547 1.00 0.00 N ATOM 1760 CA SER B 18 -12.116 -7.205 0.355 1.00 0.00 C ATOM 1761 C SER B 18 -12.896 -8.515 0.522 1.00 0.00 C ATOM 1762 O SER B 18 -13.268 -9.154 -0.441 1.00 0.00 O ATOM 1763 CB SER B 18 -10.619 -7.484 0.213 1.00 0.00 C ATOM 1764 OG SER B 18 -10.331 -7.799 -1.144 1.00 0.00 O ATOM 0 H SER B 18 -11.516 -6.045 2.046 1.00 0.00 H new ATOM 0 HA SER B 18 -12.459 -6.698 -0.547 1.00 0.00 H new ATOM 0 HB2 SER B 18 -10.043 -6.614 0.527 1.00 0.00 H new ATOM 0 HB3 SER B 18 -10.327 -8.311 0.861 1.00 0.00 H new ATOM 0 HG SER B 18 -9.360 -7.821 -1.276 1.00 0.00 H new ATOM 1770 N GLY B 19 -13.151 -8.916 1.742 1.00 0.00 N ATOM 1771 CA GLY B 19 -13.911 -10.183 1.981 1.00 0.00 C ATOM 1772 C GLY B 19 -15.399 -9.877 2.190 1.00 0.00 C ATOM 1773 O GLY B 19 -16.200 -10.774 2.366 1.00 0.00 O ATOM 0 H GLY B 19 -12.865 -8.420 2.586 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -13.786 -10.856 1.133 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -13.511 -10.696 2.856 1.00 0.00 H new ATOM 1777 N ARG B 20 -15.789 -8.628 2.146 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.235 -8.293 2.313 1.00 0.00 C ATOM 1779 C ARG B 20 -18.015 -8.895 1.142 1.00 0.00 C ATOM 1780 O ARG B 20 -19.050 -9.509 1.313 1.00 0.00 O ATOM 1781 CB ARG B 20 -17.395 -6.766 2.302 1.00 0.00 C ATOM 1782 CG ARG B 20 -18.857 -6.376 2.547 1.00 0.00 C ATOM 1783 CD ARG B 20 -19.032 -4.876 2.288 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.365 -4.438 2.788 1.00 0.00 N ATOM 1785 CZ ARG B 20 -21.438 -4.703 2.099 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -21.339 -5.299 0.946 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -22.610 -4.361 2.558 1.00 0.00 N ATOM 0 H ARG B 20 -15.171 -7.829 2.002 1.00 0.00 H new ATOM 0 HA ARG B 20 -17.612 -8.694 3.254 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -16.761 -6.323 3.070 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.062 -6.367 1.344 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -19.513 -6.949 1.891 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.142 -6.615 3.571 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.242 -4.315 2.788 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -18.945 -4.668 1.222 1.00 0.00 H new ATOM 0 HE ARG B 20 -20.437 -3.931 3.670 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -20.422 -5.558 0.583 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -22.179 -5.507 0.406 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -22.687 -3.886 3.457 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -23.450 -4.569 2.018 1.00 0.00 H new ATOM 1801 N GLU B 21 -17.512 -8.727 -0.046 1.00 0.00 N ATOM 1802 CA GLU B 21 -18.202 -9.289 -1.241 1.00 0.00 C ATOM 1803 C GLU B 21 -17.231 -9.299 -2.429 1.00 0.00 C ATOM 1804 O GLU B 21 -16.230 -8.612 -2.424 1.00 0.00 O ATOM 1805 CB GLU B 21 -19.436 -8.438 -1.572 1.00 0.00 C ATOM 1806 CG GLU B 21 -19.099 -6.953 -1.417 1.00 0.00 C ATOM 1807 CD GLU B 21 -20.311 -6.107 -1.815 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -21.395 -6.662 -1.901 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -20.135 -4.918 -2.028 1.00 0.00 O ATOM 0 H GLU B 21 -16.648 -8.222 -0.244 1.00 0.00 H new ATOM 0 HA GLU B 21 -18.524 -10.309 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -19.766 -8.641 -2.591 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -20.261 -8.704 -0.911 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -18.817 -6.740 -0.386 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -18.243 -6.697 -2.042 1.00 0.00 H new ATOM 1816 N GLY B 22 -17.519 -10.079 -3.442 1.00 0.00 N ATOM 1817 CA GLY B 22 -16.617 -10.149 -4.638 1.00 0.00 C ATOM 1818 C GLY B 22 -15.875 -11.486 -4.637 1.00 0.00 C ATOM 1819 O GLY B 22 -16.418 -12.506 -4.260 1.00 0.00 O ATOM 0 H GLY B 22 -18.345 -10.675 -3.494 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -17.200 -10.045 -5.553 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -15.904 -9.325 -4.618 1.00 0.00 H new ATOM 1823 N ASP B 23 -14.637 -11.491 -5.053 1.00 0.00 N ATOM 1824 CA ASP B 23 -13.861 -12.764 -5.073 1.00 0.00 C ATOM 1825 C ASP B 23 -13.378 -13.089 -3.656 1.00 0.00 C ATOM 1826 O ASP B 23 -12.354 -13.716 -3.463 1.00 0.00 O ATOM 1827 CB ASP B 23 -12.657 -12.607 -6.003 1.00 0.00 C ATOM 1828 CG ASP B 23 -11.959 -13.957 -6.173 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -12.655 -14.948 -6.308 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -10.739 -13.975 -6.166 1.00 0.00 O ATOM 0 H ASP B 23 -14.130 -10.669 -5.380 1.00 0.00 H new ATOM 0 HA ASP B 23 -14.495 -13.575 -5.433 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -12.981 -12.229 -6.973 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -11.961 -11.876 -5.592 1.00 0.00 H new ATOM 1835 N LYS B 24 -14.111 -12.663 -2.663 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.708 -12.938 -1.254 1.00 0.00 C ATOM 1837 C LYS B 24 -12.416 -12.162 -0.937 1.00 0.00 C ATOM 1838 O LYS B 24 -12.018 -12.048 0.207 1.00 0.00 O ATOM 1839 CB LYS B 24 -13.503 -14.467 -1.067 1.00 0.00 C ATOM 1840 CG LYS B 24 -14.254 -14.978 0.180 1.00 0.00 C ATOM 1841 CD LYS B 24 -13.554 -14.466 1.439 1.00 0.00 C ATOM 1842 CE LYS B 24 -14.197 -15.087 2.682 1.00 0.00 C ATOM 1843 NZ LYS B 24 -13.843 -16.532 2.754 1.00 0.00 N ATOM 0 H LYS B 24 -14.976 -12.133 -2.768 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.487 -12.609 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -13.858 -14.996 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -12.440 -14.686 -0.970 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -15.289 -14.635 0.161 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -14.279 -16.068 0.182 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -12.494 -14.717 1.404 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -13.623 -13.379 1.488 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -13.852 -14.572 3.579 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -15.280 -14.968 2.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -13.991 -16.878 3.724 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -14.445 -17.070 2.099 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -12.845 -16.659 2.490 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.761 -11.621 -1.936 1.00 0.00 N ATOM 1858 CA HIS B 25 -10.507 -10.849 -1.681 1.00 0.00 C ATOM 1859 C HIS B 25 -10.324 -9.800 -2.773 1.00 0.00 C ATOM 1860 O HIS B 25 -9.254 -9.649 -3.328 1.00 0.00 O ATOM 1861 CB HIS B 25 -9.295 -11.791 -1.671 1.00 0.00 C ATOM 1862 CG HIS B 25 -9.629 -13.051 -0.917 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -9.714 -13.091 0.468 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -9.892 -14.328 -1.347 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -10.016 -14.356 0.816 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -10.133 -15.144 -0.251 1.00 0.00 N ATOM 0 H HIS B 25 -12.041 -11.681 -2.915 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.585 -10.361 -0.710 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.005 -12.035 -2.693 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.442 -11.295 -1.207 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.909 -14.648 -2.378 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -10.147 -14.690 1.835 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -10.354 -16.140 -0.261 1.00 0.00 H new ATOM 1874 N LYS B 26 -11.354 -9.055 -3.072 1.00 0.00 N ATOM 1875 CA LYS B 26 -11.250 -7.995 -4.114 1.00 0.00 C ATOM 1876 C LYS B 26 -12.056 -6.788 -3.639 1.00 0.00 C ATOM 1877 O LYS B 26 -13.034 -6.932 -2.934 1.00 0.00 O ATOM 1878 CB LYS B 26 -11.823 -8.524 -5.437 1.00 0.00 C ATOM 1879 CG LYS B 26 -11.264 -7.714 -6.615 1.00 0.00 C ATOM 1880 CD LYS B 26 -11.697 -8.355 -7.947 1.00 0.00 C ATOM 1881 CE LYS B 26 -10.754 -9.510 -8.313 1.00 0.00 C ATOM 1882 NZ LYS B 26 -11.075 -10.003 -9.684 1.00 0.00 N ATOM 0 H LYS B 26 -12.272 -9.137 -2.634 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.210 -7.711 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.569 -9.577 -5.557 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.911 -8.458 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.623 -6.686 -6.563 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.176 -7.675 -6.557 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -12.720 -8.723 -7.866 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -11.690 -7.606 -8.739 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -9.718 -9.174 -8.270 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.857 -10.320 -7.591 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -10.435 -10.785 -9.930 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.059 -10.339 -9.711 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -10.955 -9.229 -10.368 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.657 -5.598 -4.003 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.416 -4.388 -3.541 1.00 0.00 C ATOM 1898 C LEU B 27 -13.430 -3.940 -4.608 1.00 0.00 C ATOM 1899 O LEU B 27 -13.103 -3.733 -5.761 1.00 0.00 O ATOM 1900 CB LEU B 27 -11.424 -3.229 -3.261 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.277 -2.959 -1.745 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -10.336 -3.992 -1.118 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -10.707 -1.554 -1.543 1.00 0.00 C ATOM 0 H LEU B 27 -10.848 -5.407 -4.594 1.00 0.00 H new ATOM 0 HA LEU B 27 -12.956 -4.646 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.449 -3.473 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -11.770 -2.324 -3.760 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.253 -3.035 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -10.238 -3.794 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -10.743 -4.992 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -9.356 -3.926 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -10.600 -1.355 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -9.732 -1.484 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -11.383 -0.821 -1.983 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.649 -3.741 -4.183 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.724 -3.239 -5.096 1.00 0.00 C ATOM 1917 C LYS B 28 -16.066 -1.810 -4.661 1.00 0.00 C ATOM 1918 O LYS B 28 -15.792 -1.425 -3.541 1.00 0.00 O ATOM 1919 CB LYS B 28 -16.975 -4.131 -4.984 1.00 0.00 C ATOM 1920 CG LYS B 28 -16.560 -5.590 -4.704 1.00 0.00 C ATOM 1921 CD LYS B 28 -17.579 -6.562 -5.329 1.00 0.00 C ATOM 1922 CE LYS B 28 -19.020 -6.172 -4.942 1.00 0.00 C ATOM 1923 NZ LYS B 28 -19.624 -5.342 -6.025 1.00 0.00 N ATOM 0 H LYS B 28 -14.953 -3.908 -3.224 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.384 -3.258 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.620 -3.768 -4.184 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.552 -4.079 -5.907 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.568 -5.779 -5.114 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.498 -5.758 -3.629 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -17.475 -6.556 -6.414 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -17.371 -7.578 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -19.619 -7.068 -4.781 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -19.017 -5.617 -4.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -19.670 -4.350 -5.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -19.040 -5.412 -6.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -20.584 -5.685 -6.231 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.652 -1.014 -5.519 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.991 0.387 -5.113 1.00 0.00 C ATOM 1939 C LYS B 29 -17.636 0.377 -3.722 1.00 0.00 C ATOM 1940 O LYS B 29 -17.265 1.139 -2.850 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.973 1.006 -6.109 1.00 0.00 C ATOM 1942 CG LYS B 29 -17.309 1.169 -7.489 1.00 0.00 C ATOM 1943 CD LYS B 29 -18.011 2.287 -8.270 1.00 0.00 C ATOM 1944 CE LYS B 29 -17.634 2.210 -9.752 1.00 0.00 C ATOM 1945 NZ LYS B 29 -16.157 2.079 -9.886 1.00 0.00 N ATOM 0 H LYS B 29 -16.909 -1.268 -6.473 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.074 0.976 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.858 0.375 -6.197 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.308 1.976 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.251 1.404 -7.369 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.366 0.233 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -19.091 2.198 -8.156 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.727 3.258 -7.864 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.129 1.359 -10.220 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -17.979 3.104 -10.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -15.873 2.330 -10.854 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -15.689 2.718 -9.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.876 1.098 -9.686 1.00 0.00 H new ATOM 1959 N SER B 30 -18.595 -0.483 -3.505 1.00 0.00 N ATOM 1960 CA SER B 30 -19.250 -0.538 -2.168 1.00 0.00 C ATOM 1961 C SER B 30 -18.175 -0.673 -1.089 1.00 0.00 C ATOM 1962 O SER B 30 -18.404 -0.380 0.061 1.00 0.00 O ATOM 1963 CB SER B 30 -20.192 -1.748 -2.102 1.00 0.00 C ATOM 1964 OG SER B 30 -21.432 -1.416 -2.715 1.00 0.00 O ATOM 0 H SER B 30 -18.951 -1.147 -4.193 1.00 0.00 H new ATOM 0 HA SER B 30 -19.825 0.374 -2.006 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.741 -2.602 -2.608 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.354 -2.041 -1.065 1.00 0.00 H new ATOM 0 HG SER B 30 -22.034 -2.188 -2.675 1.00 0.00 H new ATOM 1970 N GLU B 31 -17.000 -1.107 -1.453 1.00 0.00 N ATOM 1971 CA GLU B 31 -15.907 -1.258 -0.447 1.00 0.00 C ATOM 1972 C GLU B 31 -15.004 -0.037 -0.500 1.00 0.00 C ATOM 1973 O GLU B 31 -14.399 0.327 0.477 1.00 0.00 O ATOM 1974 CB GLU B 31 -15.098 -2.516 -0.770 1.00 0.00 C ATOM 1975 CG GLU B 31 -16.026 -3.732 -0.747 1.00 0.00 C ATOM 1976 CD GLU B 31 -15.190 -5.005 -0.861 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -14.017 -4.946 -0.533 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -15.736 -6.015 -1.271 1.00 0.00 O ATOM 0 H GLU B 31 -16.747 -1.365 -2.407 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.332 -1.348 0.553 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -14.630 -2.420 -1.749 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.295 -2.643 -0.044 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -16.605 -3.745 0.176 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.739 -3.676 -1.570 1.00 0.00 H new ATOM 1985 N LEU B 32 -14.907 0.600 -1.630 1.00 0.00 N ATOM 1986 CA LEU B 32 -14.030 1.800 -1.729 1.00 0.00 C ATOM 1987 C LEU B 32 -14.753 3.013 -1.145 1.00 0.00 C ATOM 1988 O LEU B 32 -14.249 3.680 -0.270 1.00 0.00 O ATOM 1989 CB LEU B 32 -13.664 2.028 -3.214 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.203 2.479 -3.356 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -11.811 2.496 -4.837 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -12.052 3.884 -2.774 1.00 0.00 C ATOM 0 H LEU B 32 -15.395 0.344 -2.488 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.113 1.649 -1.160 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.821 1.108 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.325 2.781 -3.644 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.554 1.787 -2.820 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.774 2.816 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -11.923 1.495 -5.254 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.457 3.188 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -11.016 4.209 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.701 4.573 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.330 3.873 -1.720 1.00 0.00 H new ATOM 2004 N LYS B 33 -15.925 3.301 -1.611 1.00 0.00 N ATOM 2005 CA LYS B 33 -16.664 4.463 -1.074 1.00 0.00 C ATOM 2006 C LYS B 33 -17.055 4.190 0.385 1.00 0.00 C ATOM 2007 O LYS B 33 -17.082 5.084 1.203 1.00 0.00 O ATOM 2008 CB LYS B 33 -17.900 4.653 -1.945 1.00 0.00 C ATOM 2009 CG LYS B 33 -18.692 5.890 -1.521 1.00 0.00 C ATOM 2010 CD LYS B 33 -20.060 5.883 -2.242 1.00 0.00 C ATOM 2011 CE LYS B 33 -21.131 5.261 -1.337 1.00 0.00 C ATOM 2012 NZ LYS B 33 -22.396 5.081 -2.106 1.00 0.00 N ATOM 0 H LYS B 33 -16.406 2.780 -2.344 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.055 5.367 -1.091 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -17.601 4.750 -2.989 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -18.536 3.770 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -18.836 5.893 -0.441 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.139 6.795 -1.771 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -20.345 6.901 -2.508 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -19.987 5.319 -3.172 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -20.786 4.300 -0.956 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -21.307 5.901 -0.473 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -23.120 4.659 -1.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -22.729 6.005 -2.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -22.223 4.453 -2.917 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.371 2.966 0.712 1.00 0.00 N ATOM 2027 CA GLU B 34 -17.774 2.670 2.123 1.00 0.00 C ATOM 2028 C GLU B 34 -16.539 2.619 3.017 1.00 0.00 C ATOM 2029 O GLU B 34 -16.592 2.969 4.179 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.513 1.334 2.194 1.00 0.00 C ATOM 2031 CG GLU B 34 -19.204 1.197 3.555 1.00 0.00 C ATOM 2032 CD GLU B 34 -20.380 2.174 3.639 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -21.463 1.804 3.213 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -20.179 3.273 4.129 1.00 0.00 O ATOM 0 H GLU B 34 -17.369 2.168 0.077 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.438 3.462 2.469 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.250 1.272 1.393 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -17.813 0.512 2.047 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -19.557 0.175 3.693 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -18.493 1.399 4.356 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.422 2.208 2.493 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.191 2.163 3.332 1.00 0.00 C ATOM 2043 C LEU B 35 -13.695 3.592 3.546 1.00 0.00 C ATOM 2044 O LEU B 35 -13.160 3.930 4.582 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.113 1.340 2.615 1.00 0.00 C ATOM 2046 CG LEU B 35 -11.769 1.446 3.355 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -11.916 0.951 4.795 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -10.733 0.592 2.628 1.00 0.00 C ATOM 0 H LEU B 35 -15.305 1.903 1.527 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.409 1.699 4.294 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.422 0.296 2.559 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -12.999 1.694 1.590 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.450 2.488 3.373 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -10.957 1.032 5.307 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -12.657 1.558 5.315 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.239 -0.090 4.791 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -9.776 0.661 3.146 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -11.063 -0.447 2.613 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.619 0.951 1.605 1.00 0.00 H new ATOM 2060 N ILE B 36 -13.864 4.428 2.562 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.402 5.841 2.682 1.00 0.00 C ATOM 2062 C ILE B 36 -14.232 6.561 3.755 1.00 0.00 C ATOM 2063 O ILE B 36 -13.720 7.332 4.540 1.00 0.00 O ATOM 2064 CB ILE B 36 -13.564 6.526 1.321 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -12.497 5.994 0.359 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -13.387 8.038 1.464 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -12.859 6.396 -1.070 1.00 0.00 C ATOM 0 H ILE B 36 -14.305 4.193 1.673 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.354 5.876 2.978 1.00 0.00 H new ATOM 0 HB ILE B 36 -14.562 6.315 0.936 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.519 6.395 0.625 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.429 4.909 0.437 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -13.505 8.512 0.489 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.138 8.429 2.151 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -12.392 8.253 1.854 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -12.101 6.019 -1.757 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.829 5.974 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -12.905 7.483 -1.142 1.00 0.00 H new ATOM 2079 N ASN B 37 -15.514 6.321 3.776 1.00 0.00 N ATOM 2080 CA ASN B 37 -16.389 6.997 4.785 1.00 0.00 C ATOM 2081 C ASN B 37 -16.344 6.277 6.144 1.00 0.00 C ATOM 2082 O ASN B 37 -16.676 6.848 7.164 1.00 0.00 O ATOM 2083 CB ASN B 37 -17.833 7.000 4.282 1.00 0.00 C ATOM 2084 CG ASN B 37 -18.718 7.729 5.300 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -18.951 8.917 5.182 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -19.220 7.064 6.305 1.00 0.00 N ATOM 0 H ASN B 37 -15.997 5.687 3.140 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.022 8.015 4.918 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -17.892 7.493 3.312 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -18.185 5.978 4.142 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -19.807 7.541 6.990 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -19.026 6.068 6.405 1.00 0.00 H new ATOM 2093 N ASN B 38 -16.000 5.018 6.174 1.00 0.00 N ATOM 2094 CA ASN B 38 -16.012 4.281 7.481 1.00 0.00 C ATOM 2095 C ASN B 38 -14.673 4.394 8.224 1.00 0.00 C ATOM 2096 O ASN B 38 -14.647 4.616 9.420 1.00 0.00 O ATOM 2097 CB ASN B 38 -16.303 2.805 7.199 1.00 0.00 C ATOM 2098 CG ASN B 38 -16.743 2.113 8.486 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -15.944 1.485 9.156 1.00 0.00 O ATOM 2100 ND2 ASN B 38 -17.989 2.208 8.865 1.00 0.00 N ATOM 0 H ASN B 38 -15.714 4.469 5.364 1.00 0.00 H new ATOM 0 HA ASN B 38 -16.779 4.725 8.116 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -17.082 2.716 6.442 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -15.413 2.319 6.799 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -18.296 1.755 9.726 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -18.655 2.735 8.300 1.00 0.00 H new ATOM 2107 N GLU B 39 -13.567 4.213 7.550 1.00 0.00 N ATOM 2108 CA GLU B 39 -12.234 4.277 8.246 1.00 0.00 C ATOM 2109 C GLU B 39 -11.494 5.565 7.884 1.00 0.00 C ATOM 2110 O GLU B 39 -10.958 6.238 8.741 1.00 0.00 O ATOM 2111 CB GLU B 39 -11.388 3.075 7.815 1.00 0.00 C ATOM 2112 CG GLU B 39 -12.158 1.778 8.081 1.00 0.00 C ATOM 2113 CD GLU B 39 -12.347 1.585 9.588 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -11.350 1.511 10.285 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -13.487 1.511 10.017 1.00 0.00 O ATOM 0 H GLU B 39 -13.523 4.024 6.549 1.00 0.00 H new ATOM 0 HA GLU B 39 -12.400 4.260 9.323 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.142 3.152 6.756 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.445 3.068 8.361 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -13.128 1.812 7.585 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.616 0.930 7.662 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.439 5.911 6.626 1.00 0.00 N ATOM 2123 CA LEU B 40 -10.710 7.155 6.223 1.00 0.00 C ATOM 2124 C LEU B 40 -11.658 8.368 6.308 1.00 0.00 C ATOM 2125 O LEU B 40 -11.539 9.312 5.554 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.175 7.002 4.783 1.00 0.00 C ATOM 2127 CG LEU B 40 -9.883 5.528 4.462 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -9.359 5.426 3.027 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -8.824 4.972 5.423 1.00 0.00 C ATOM 0 H LEU B 40 -11.865 5.390 5.860 1.00 0.00 H new ATOM 0 HA LEU B 40 -9.870 7.314 6.900 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -10.905 7.395 4.076 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.266 7.592 4.664 1.00 0.00 H new ATOM 0 HG LEU B 40 -10.801 4.950 4.573 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -9.149 4.383 2.790 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -10.110 5.811 2.337 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.445 6.011 2.931 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -8.628 3.927 5.183 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.903 5.547 5.322 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.188 5.047 6.448 1.00 0.00 H new ATOM 2141 N SER B 41 -12.595 8.348 7.217 1.00 0.00 N ATOM 2142 CA SER B 41 -13.545 9.495 7.348 1.00 0.00 C ATOM 2143 C SER B 41 -12.949 10.576 8.256 1.00 0.00 C ATOM 2144 O SER B 41 -13.418 11.697 8.276 1.00 0.00 O ATOM 2145 CB SER B 41 -14.872 8.994 7.942 1.00 0.00 C ATOM 2146 OG SER B 41 -15.334 9.909 8.929 1.00 0.00 O ATOM 0 H SER B 41 -12.746 7.585 7.877 1.00 0.00 H new ATOM 0 HA SER B 41 -13.724 9.924 6.362 1.00 0.00 H new ATOM 0 HB2 SER B 41 -15.617 8.889 7.154 1.00 0.00 H new ATOM 0 HB3 SER B 41 -14.734 8.007 8.384 1.00 0.00 H new ATOM 0 HG SER B 41 -16.180 9.587 9.303 1.00 0.00 H new ATOM 2152 N HIS B 42 -11.931 10.259 9.015 1.00 0.00 N ATOM 2153 CA HIS B 42 -11.327 11.280 9.924 1.00 0.00 C ATOM 2154 C HIS B 42 -10.142 11.962 9.236 1.00 0.00 C ATOM 2155 O HIS B 42 -9.860 13.118 9.482 1.00 0.00 O ATOM 2156 CB HIS B 42 -10.848 10.592 11.202 1.00 0.00 C ATOM 2157 CG HIS B 42 -12.032 10.018 11.926 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -12.106 8.678 12.274 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -13.207 10.585 12.358 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -13.290 8.482 12.886 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -13.996 9.611 12.960 1.00 0.00 N ATOM 0 H HIS B 42 -11.492 9.339 9.045 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.076 12.034 10.167 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -10.137 9.802 10.960 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -10.327 11.306 11.840 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -13.476 11.625 12.247 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -13.626 7.530 13.269 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -14.921 9.734 13.372 1.00 0.00 H new ATOM 2170 N PHE B 43 -9.443 11.264 8.376 1.00 0.00 N ATOM 2171 CA PHE B 43 -8.277 11.880 7.670 1.00 0.00 C ATOM 2172 C PHE B 43 -8.696 12.253 6.247 1.00 0.00 C ATOM 2173 O PHE B 43 -8.639 13.401 5.856 1.00 0.00 O ATOM 2174 CB PHE B 43 -7.117 10.879 7.623 1.00 0.00 C ATOM 2175 CG PHE B 43 -6.560 10.678 9.015 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -5.553 11.527 9.498 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -7.048 9.643 9.824 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -5.035 11.339 10.785 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -6.529 9.457 11.113 1.00 0.00 C ATOM 2180 CZ PHE B 43 -5.523 10.305 11.593 1.00 0.00 C ATOM 0 H PHE B 43 -9.630 10.292 8.132 1.00 0.00 H new ATOM 0 HA PHE B 43 -7.954 12.774 8.203 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.461 9.927 7.218 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -6.335 11.245 6.957 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -5.177 12.326 8.877 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -7.824 8.989 9.455 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -4.258 11.992 11.155 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -6.905 8.659 11.736 1.00 0.00 H new ATOM 0 HZ PHE B 43 -5.124 10.161 12.586 1.00 0.00 H new ATOM 2190 N LEU B 44 -9.128 11.297 5.468 1.00 0.00 N ATOM 2191 CA LEU B 44 -9.559 11.614 4.078 1.00 0.00 C ATOM 2192 C LEU B 44 -10.980 12.197 4.124 1.00 0.00 C ATOM 2193 O LEU B 44 -11.825 11.747 4.872 1.00 0.00 O ATOM 2194 CB LEU B 44 -9.521 10.327 3.240 1.00 0.00 C ATOM 2195 CG LEU B 44 -10.096 10.570 1.837 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -9.286 11.665 1.123 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -10.026 9.262 1.027 1.00 0.00 C ATOM 0 H LEU B 44 -9.200 10.315 5.734 1.00 0.00 H new ATOM 0 HA LEU B 44 -8.893 12.346 3.622 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -8.494 9.971 3.160 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -10.092 9.545 3.741 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.133 10.894 1.921 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.699 11.833 0.128 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.338 12.589 1.698 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.246 11.350 1.036 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.433 9.429 0.030 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.988 8.940 0.946 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.607 8.490 1.531 1.00 0.00 H new ATOM 2209 N GLU B 45 -11.242 13.213 3.343 1.00 0.00 N ATOM 2210 CA GLU B 45 -12.601 13.846 3.354 1.00 0.00 C ATOM 2211 C GLU B 45 -13.690 12.774 3.234 1.00 0.00 C ATOM 2212 O GLU B 45 -13.641 11.924 2.368 1.00 0.00 O ATOM 2213 CB GLU B 45 -12.724 14.819 2.175 1.00 0.00 C ATOM 2214 CG GLU B 45 -11.581 15.831 2.231 1.00 0.00 C ATOM 2215 CD GLU B 45 -11.721 16.827 1.079 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -11.730 16.388 -0.059 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -11.817 18.013 1.353 1.00 0.00 O ATOM 0 H GLU B 45 -10.575 13.634 2.696 1.00 0.00 H new ATOM 0 HA GLU B 45 -12.728 14.382 4.294 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -12.694 14.272 1.233 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -13.683 15.335 2.213 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -11.595 16.358 3.185 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -10.622 15.316 2.166 1.00 0.00 H new ATOM 2224 N GLU B 46 -14.675 12.806 4.097 1.00 0.00 N ATOM 2225 CA GLU B 46 -15.759 11.786 4.024 1.00 0.00 C ATOM 2226 C GLU B 46 -16.427 11.849 2.649 1.00 0.00 C ATOM 2227 O GLU B 46 -17.439 12.495 2.465 1.00 0.00 O ATOM 2228 CB GLU B 46 -16.801 12.044 5.124 1.00 0.00 C ATOM 2229 CG GLU B 46 -17.024 13.550 5.299 1.00 0.00 C ATOM 2230 CD GLU B 46 -18.305 13.784 6.109 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -18.694 12.886 6.839 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -18.873 14.857 5.987 1.00 0.00 O ATOM 0 H GLU B 46 -14.773 13.492 4.845 1.00 0.00 H new ATOM 0 HA GLU B 46 -15.330 10.795 4.173 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -17.741 11.557 4.866 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -16.464 11.607 6.064 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.171 13.998 5.809 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.103 14.033 4.325 1.00 0.00 H new ATOM 2239 N ILE B 47 -15.864 11.173 1.689 1.00 0.00 N ATOM 2240 CA ILE B 47 -16.457 11.177 0.324 1.00 0.00 C ATOM 2241 C ILE B 47 -17.916 10.715 0.417 1.00 0.00 C ATOM 2242 O ILE B 47 -18.217 9.684 0.985 1.00 0.00 O ATOM 2243 CB ILE B 47 -15.634 10.223 -0.580 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -14.451 11.001 -1.192 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -16.506 9.626 -1.697 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -13.528 10.072 -2.002 1.00 0.00 C ATOM 0 H ILE B 47 -15.016 10.616 1.791 1.00 0.00 H new ATOM 0 HA ILE B 47 -16.433 12.178 -0.106 1.00 0.00 H new ATOM 0 HB ILE B 47 -15.261 9.399 0.029 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -14.830 11.794 -1.837 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -13.880 11.482 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -15.902 8.961 -2.314 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -17.328 9.063 -1.255 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -16.907 10.430 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -12.705 10.651 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -13.130 9.295 -1.349 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -14.095 9.611 -2.811 1.00 0.00 H new ATOM 2258 N LYS B 48 -18.819 11.469 -0.157 1.00 0.00 N ATOM 2259 CA LYS B 48 -20.267 11.094 -0.138 1.00 0.00 C ATOM 2260 C LYS B 48 -20.721 10.819 -1.573 1.00 0.00 C ATOM 2261 O LYS B 48 -21.730 10.189 -1.806 1.00 0.00 O ATOM 2262 CB LYS B 48 -21.082 12.253 0.447 1.00 0.00 C ATOM 2263 CG LYS B 48 -20.843 12.352 1.970 1.00 0.00 C ATOM 2264 CD LYS B 48 -21.856 11.480 2.722 1.00 0.00 C ATOM 2265 CE LYS B 48 -21.521 11.478 4.214 1.00 0.00 C ATOM 2266 NZ LYS B 48 -21.842 12.809 4.798 1.00 0.00 N ATOM 0 H LYS B 48 -18.612 12.341 -0.645 1.00 0.00 H new ATOM 0 HA LYS B 48 -20.417 10.205 0.474 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -20.798 13.188 -0.035 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -22.142 12.100 0.246 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -19.829 12.032 2.208 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -20.934 13.389 2.293 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -22.865 11.860 2.566 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -21.835 10.462 2.333 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -22.088 10.699 4.724 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -20.465 11.250 4.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -21.776 12.758 5.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -21.167 13.516 4.442 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -22.807 13.084 4.525 1.00 0.00 H new ATOM 2280 N GLU B 49 -19.968 11.285 -2.536 1.00 0.00 N ATOM 2281 CA GLU B 49 -20.332 11.055 -3.969 1.00 0.00 C ATOM 2282 C GLU B 49 -19.469 9.923 -4.534 1.00 0.00 C ATOM 2283 O GLU B 49 -18.363 9.690 -4.090 1.00 0.00 O ATOM 2284 CB GLU B 49 -20.081 12.338 -4.768 1.00 0.00 C ATOM 2285 CG GLU B 49 -18.780 12.990 -4.295 1.00 0.00 C ATOM 2286 CD GLU B 49 -18.410 14.132 -5.246 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -19.277 14.565 -5.986 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -17.264 14.552 -5.220 1.00 0.00 O ATOM 0 H GLU B 49 -19.111 11.819 -2.391 1.00 0.00 H new ATOM 0 HA GLU B 49 -21.385 10.782 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -20.019 12.110 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -20.914 13.029 -4.638 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -18.899 13.371 -3.280 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -17.979 12.251 -4.267 1.00 0.00 H new ATOM 2295 N GLN B 50 -19.971 9.212 -5.509 1.00 0.00 N ATOM 2296 CA GLN B 50 -19.189 8.085 -6.105 1.00 0.00 C ATOM 2297 C GLN B 50 -18.387 8.575 -7.315 1.00 0.00 C ATOM 2298 O GLN B 50 -17.347 8.037 -7.634 1.00 0.00 O ATOM 2299 CB GLN B 50 -20.153 6.988 -6.555 1.00 0.00 C ATOM 2300 CG GLN B 50 -21.276 7.603 -7.392 1.00 0.00 C ATOM 2301 CD GLN B 50 -22.090 6.490 -8.053 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -22.834 6.737 -8.982 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -21.983 5.268 -7.609 1.00 0.00 N ATOM 0 H GLN B 50 -20.892 9.363 -5.921 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.500 7.696 -5.355 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -19.619 6.238 -7.139 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -20.570 6.478 -5.687 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -21.921 8.214 -6.761 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -20.858 8.262 -8.152 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -21.358 5.061 -6.829 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -22.524 4.519 -8.041 1.00 0.00 H new ATOM 2312 N GLU B 51 -18.868 9.578 -8.002 1.00 0.00 N ATOM 2313 CA GLU B 51 -18.146 10.087 -9.203 1.00 0.00 C ATOM 2314 C GLU B 51 -16.661 10.223 -8.902 1.00 0.00 C ATOM 2315 O GLU B 51 -15.827 10.002 -9.755 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.717 11.445 -9.618 1.00 0.00 C ATOM 2317 CG GLU B 51 -20.178 11.279 -10.045 1.00 0.00 C ATOM 2318 CD GLU B 51 -20.692 12.588 -10.647 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -21.121 13.437 -9.883 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -20.651 12.717 -11.860 1.00 0.00 O ATOM 0 H GLU B 51 -19.735 10.068 -7.781 1.00 0.00 H new ATOM 0 HA GLU B 51 -18.279 9.378 -10.020 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -18.648 12.149 -8.789 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -18.133 11.861 -10.439 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -20.264 10.474 -10.774 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -20.788 10.998 -9.186 1.00 0.00 H new ATOM 2327 N VAL B 52 -16.311 10.556 -7.698 1.00 0.00 N ATOM 2328 CA VAL B 52 -14.868 10.667 -7.369 1.00 0.00 C ATOM 2329 C VAL B 52 -14.306 9.263 -7.261 1.00 0.00 C ATOM 2330 O VAL B 52 -13.200 8.987 -7.682 1.00 0.00 O ATOM 2331 CB VAL B 52 -14.685 11.413 -6.045 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -15.143 12.861 -6.212 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -15.523 10.738 -4.953 1.00 0.00 C ATOM 0 H VAL B 52 -16.954 10.755 -6.932 1.00 0.00 H new ATOM 0 HA VAL B 52 -14.344 11.225 -8.145 1.00 0.00 H new ATOM 0 HB VAL B 52 -13.633 11.391 -5.760 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -15.014 13.394 -5.270 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -14.548 13.344 -6.987 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -16.195 12.879 -6.498 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -15.391 11.271 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -16.575 10.758 -5.237 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -15.200 9.704 -4.833 1.00 0.00 H new ATOM 2343 N VAL B 53 -15.069 8.368 -6.721 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.590 6.974 -6.612 1.00 0.00 C ATOM 2345 C VAL B 53 -14.455 6.445 -8.036 1.00 0.00 C ATOM 2346 O VAL B 53 -13.686 5.551 -8.310 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.579 6.146 -5.738 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -16.384 5.134 -6.565 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.805 5.389 -4.659 1.00 0.00 C ATOM 0 H VAL B 53 -16.003 8.541 -6.350 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.622 6.902 -6.116 1.00 0.00 H new ATOM 0 HB VAL B 53 -16.278 6.853 -5.291 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -17.058 4.583 -5.909 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -16.965 5.662 -7.321 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.702 4.438 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.500 4.811 -4.050 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -14.089 4.715 -5.130 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -14.273 6.100 -4.027 1.00 0.00 H new ATOM 2359 N ASP B 54 -15.178 7.025 -8.950 1.00 0.00 N ATOM 2360 CA ASP B 54 -15.062 6.586 -10.364 1.00 0.00 C ATOM 2361 C ASP B 54 -13.793 7.211 -10.931 1.00 0.00 C ATOM 2362 O ASP B 54 -13.111 6.633 -11.753 1.00 0.00 O ATOM 2363 CB ASP B 54 -16.272 7.065 -11.168 1.00 0.00 C ATOM 2364 CG ASP B 54 -17.542 6.423 -10.614 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -17.430 5.398 -9.965 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -18.608 6.968 -10.849 1.00 0.00 O ATOM 0 H ASP B 54 -15.841 7.781 -8.779 1.00 0.00 H new ATOM 0 HA ASP B 54 -15.023 5.498 -10.422 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -16.349 8.151 -11.116 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -16.149 6.804 -12.219 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.472 8.395 -10.482 1.00 0.00 N ATOM 2372 CA LYS B 55 -12.237 9.071 -10.977 1.00 0.00 C ATOM 2373 C LYS B 55 -11.016 8.491 -10.259 1.00 0.00 C ATOM 2374 O LYS B 55 -10.042 8.124 -10.880 1.00 0.00 O ATOM 2375 CB LYS B 55 -12.327 10.579 -10.714 1.00 0.00 C ATOM 2376 CG LYS B 55 -10.961 11.264 -10.998 1.00 0.00 C ATOM 2377 CD LYS B 55 -10.193 11.498 -9.679 1.00 0.00 C ATOM 2378 CE LYS B 55 -8.690 11.572 -9.948 1.00 0.00 C ATOM 2379 NZ LYS B 55 -7.968 11.739 -8.655 1.00 0.00 N ATOM 0 H LYS B 55 -14.010 8.923 -9.795 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.139 8.904 -12.050 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -13.099 11.019 -11.345 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -12.621 10.757 -9.680 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.367 10.642 -11.667 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.122 12.215 -11.506 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -10.532 12.423 -9.212 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -10.405 10.690 -8.978 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -8.354 10.666 -10.452 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -8.468 12.407 -10.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -6.945 11.790 -8.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -8.283 12.615 -8.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -8.172 10.928 -8.036 1.00 0.00 H new ATOM 2393 N VAL B 56 -11.051 8.401 -8.957 1.00 0.00 N ATOM 2394 CA VAL B 56 -9.880 7.837 -8.231 1.00 0.00 C ATOM 2395 C VAL B 56 -9.555 6.474 -8.838 1.00 0.00 C ATOM 2396 O VAL B 56 -8.410 6.117 -9.022 1.00 0.00 O ATOM 2397 CB VAL B 56 -10.208 7.721 -6.722 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -10.905 6.391 -6.394 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -8.916 7.816 -5.904 1.00 0.00 C ATOM 0 H VAL B 56 -11.833 8.691 -8.370 1.00 0.00 H new ATOM 0 HA VAL B 56 -9.011 8.488 -8.330 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.883 8.538 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -11.119 6.346 -5.326 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -11.837 6.321 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -10.253 5.561 -6.668 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -9.150 7.734 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.244 7.007 -6.191 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.433 8.774 -6.096 1.00 0.00 H new ATOM 2409 N MET B 57 -10.565 5.716 -9.156 1.00 0.00 N ATOM 2410 CA MET B 57 -10.327 4.383 -9.763 1.00 0.00 C ATOM 2411 C MET B 57 -9.553 4.558 -11.072 1.00 0.00 C ATOM 2412 O MET B 57 -8.762 3.718 -11.455 1.00 0.00 O ATOM 2413 CB MET B 57 -11.676 3.717 -10.036 1.00 0.00 C ATOM 2414 CG MET B 57 -12.301 3.264 -8.711 1.00 0.00 C ATOM 2415 SD MET B 57 -11.672 1.619 -8.294 1.00 0.00 S ATOM 2416 CE MET B 57 -13.232 0.717 -8.425 1.00 0.00 C ATOM 0 H MET B 57 -11.545 5.964 -9.021 1.00 0.00 H new ATOM 0 HA MET B 57 -9.745 3.758 -9.086 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.342 4.415 -10.544 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.544 2.862 -10.699 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.058 3.972 -7.919 1.00 0.00 H new ATOM 0 HG3 MET B 57 -13.387 3.241 -8.796 1.00 0.00 H new ATOM 0 HE1 MET B 57 -13.060 -0.340 -8.219 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.945 1.116 -7.703 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.634 0.830 -9.432 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.766 5.651 -11.754 1.00 0.00 N ATOM 2427 CA GLU B 58 -9.036 5.888 -13.031 1.00 0.00 C ATOM 2428 C GLU B 58 -7.547 6.038 -12.734 1.00 0.00 C ATOM 2429 O GLU B 58 -6.704 5.610 -13.496 1.00 0.00 O ATOM 2430 CB GLU B 58 -9.556 7.174 -13.685 1.00 0.00 C ATOM 2431 CG GLU B 58 -8.939 7.345 -15.082 1.00 0.00 C ATOM 2432 CD GLU B 58 -7.540 7.959 -14.969 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -7.385 8.887 -14.190 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -6.651 7.495 -15.664 1.00 0.00 O ATOM 0 H GLU B 58 -10.414 6.390 -11.481 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.195 5.048 -13.707 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.643 7.138 -13.761 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.308 8.033 -13.062 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -8.881 6.379 -15.583 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -9.576 7.983 -15.694 1.00 0.00 H new ATOM 2441 N THR B 59 -7.219 6.647 -11.631 1.00 0.00 N ATOM 2442 CA THR B 59 -5.784 6.829 -11.277 1.00 0.00 C ATOM 2443 C THR B 59 -5.246 5.554 -10.631 1.00 0.00 C ATOM 2444 O THR B 59 -4.079 5.237 -10.746 1.00 0.00 O ATOM 2445 CB THR B 59 -5.642 7.986 -10.282 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.369 9.109 -10.758 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.167 8.358 -10.129 1.00 0.00 C ATOM 0 H THR B 59 -7.883 7.028 -10.957 1.00 0.00 H new ATOM 0 HA THR B 59 -5.220 7.049 -12.184 1.00 0.00 H new ATOM 0 HB THR B 59 -6.037 7.680 -9.313 1.00 0.00 H new ATOM 0 HG1 THR B 59 -6.281 9.849 -10.122 1.00 0.00 H new ATOM 0 HG21 THR B 59 -4.071 9.181 -9.421 1.00 0.00 H new ATOM 0 HG22 THR B 59 -3.611 7.496 -9.761 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.766 8.663 -11.096 1.00 0.00 H new ATOM 2455 N LEU B 60 -6.081 4.831 -9.926 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.603 3.587 -9.239 1.00 0.00 C ATOM 2457 C LEU B 60 -5.849 2.344 -10.101 1.00 0.00 C ATOM 2458 O LEU B 60 -4.957 1.540 -10.285 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.340 3.443 -7.899 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.648 4.283 -6.812 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -4.255 3.702 -6.474 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.507 5.735 -7.294 1.00 0.00 C ATOM 0 H LEU B 60 -7.070 5.046 -9.796 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.529 3.671 -9.073 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.376 3.763 -8.010 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -6.361 2.395 -7.599 1.00 0.00 H new ATOM 0 HG LEU B 60 -6.259 4.257 -5.909 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.784 4.312 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -4.365 2.680 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.633 3.704 -7.369 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -5.017 6.328 -6.522 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -4.909 5.759 -8.205 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.495 6.149 -7.497 1.00 0.00 H new ATOM 2474 N ASP B 61 -7.024 2.157 -10.638 1.00 0.00 N ATOM 2475 CA ASP B 61 -7.259 0.945 -11.479 1.00 0.00 C ATOM 2476 C ASP B 61 -6.229 0.908 -12.598 1.00 0.00 C ATOM 2477 O ASP B 61 -6.298 1.639 -13.566 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.674 1.002 -12.042 1.00 0.00 C ATOM 2479 CG ASP B 61 -9.038 -0.354 -12.646 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -8.250 -1.277 -12.507 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -10.100 -0.451 -13.235 1.00 0.00 O ATOM 0 H ASP B 61 -7.824 2.782 -10.534 1.00 0.00 H new ATOM 0 HA ASP B 61 -7.155 0.038 -10.883 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -9.380 1.262 -11.253 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.743 1.781 -12.802 1.00 0.00 H new ATOM 2486 N GLU B 62 -5.259 0.052 -12.448 1.00 0.00 N ATOM 2487 CA GLU B 62 -4.183 -0.067 -13.470 1.00 0.00 C ATOM 2488 C GLU B 62 -4.588 -1.117 -14.490 1.00 0.00 C ATOM 2489 O GLU B 62 -4.469 -0.921 -15.687 1.00 0.00 O ATOM 2490 CB GLU B 62 -2.873 -0.475 -12.792 1.00 0.00 C ATOM 2491 CG GLU B 62 -3.021 -1.872 -12.181 1.00 0.00 C ATOM 2492 CD GLU B 62 -1.889 -2.114 -11.185 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -1.662 -1.248 -10.357 1.00 0.00 O ATOM 2494 OE2 GLU B 62 -1.268 -3.162 -11.266 1.00 0.00 O ATOM 0 H GLU B 62 -5.164 -0.578 -11.651 1.00 0.00 H new ATOM 0 HA GLU B 62 -4.037 0.891 -13.970 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -2.060 -0.469 -13.518 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -2.614 0.246 -12.017 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -3.985 -1.962 -11.681 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -2.997 -2.628 -12.966 1.00 0.00 H new ATOM 2501 N ASP B 63 -5.089 -2.223 -14.032 1.00 0.00 N ATOM 2502 CA ASP B 63 -5.519 -3.268 -14.983 1.00 0.00 C ATOM 2503 C ASP B 63 -6.824 -2.797 -15.607 1.00 0.00 C ATOM 2504 O ASP B 63 -7.361 -3.425 -16.497 1.00 0.00 O ATOM 2505 CB ASP B 63 -5.739 -4.591 -14.238 1.00 0.00 C ATOM 2506 CG ASP B 63 -6.337 -4.306 -12.861 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -7.086 -3.349 -12.747 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -6.039 -5.052 -11.945 1.00 0.00 O ATOM 0 H ASP B 63 -5.218 -2.446 -13.045 1.00 0.00 H new ATOM 0 HA ASP B 63 -4.762 -3.433 -15.750 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -6.406 -5.236 -14.810 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.794 -5.123 -14.133 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.344 -1.684 -15.145 1.00 0.00 N ATOM 2514 CA GLY B 64 -8.616 -1.189 -15.726 1.00 0.00 C ATOM 2515 C GLY B 64 -9.667 -2.267 -15.526 1.00 0.00 C ATOM 2516 O GLY B 64 -10.414 -2.601 -16.427 1.00 0.00 O ATOM 0 H GLY B 64 -6.944 -1.110 -14.402 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -8.922 -0.262 -15.241 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -8.492 -0.968 -16.786 1.00 0.00 H new ATOM 2520 N ASP B 65 -9.720 -2.830 -14.351 1.00 0.00 N ATOM 2521 CA ASP B 65 -10.713 -3.912 -14.081 1.00 0.00 C ATOM 2522 C ASP B 65 -11.943 -3.309 -13.417 1.00 0.00 C ATOM 2523 O ASP B 65 -12.914 -3.986 -13.156 1.00 0.00 O ATOM 2524 CB ASP B 65 -10.086 -4.959 -13.157 1.00 0.00 C ATOM 2525 CG ASP B 65 -9.490 -4.267 -11.928 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -9.801 -3.106 -11.720 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -8.728 -4.908 -11.222 1.00 0.00 O ATOM 0 H ASP B 65 -9.118 -2.588 -13.564 1.00 0.00 H new ATOM 0 HA ASP B 65 -11.004 -4.388 -15.017 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -10.839 -5.685 -12.849 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -9.310 -5.510 -13.689 1.00 0.00 H new ATOM 2532 N GLY B 66 -11.906 -2.038 -13.133 1.00 0.00 N ATOM 2533 CA GLY B 66 -13.080 -1.402 -12.474 1.00 0.00 C ATOM 2534 C GLY B 66 -13.072 -1.811 -11.009 1.00 0.00 C ATOM 2535 O GLY B 66 -13.924 -1.428 -10.233 1.00 0.00 O ATOM 0 H GLY B 66 -11.121 -1.416 -13.326 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -13.029 -0.317 -12.568 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -14.006 -1.720 -12.954 1.00 0.00 H new ATOM 2539 N GLU B 67 -12.097 -2.594 -10.639 1.00 0.00 N ATOM 2540 CA GLU B 67 -11.974 -3.066 -9.231 1.00 0.00 C ATOM 2541 C GLU B 67 -10.581 -2.691 -8.722 1.00 0.00 C ATOM 2542 O GLU B 67 -9.738 -2.258 -9.485 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.157 -4.586 -9.203 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.633 -4.915 -9.452 1.00 0.00 C ATOM 2545 CD GLU B 67 -13.781 -6.399 -9.791 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -13.019 -6.877 -10.613 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -14.656 -7.030 -9.223 1.00 0.00 O ATOM 0 H GLU B 67 -11.367 -2.933 -11.265 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.731 -2.606 -8.596 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.533 -5.054 -9.964 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -11.839 -4.986 -8.240 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.223 -4.673 -8.568 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -14.018 -4.305 -10.269 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.335 -2.833 -7.446 1.00 0.00 N ATOM 2555 CA CYS B 68 -8.992 -2.467 -6.884 1.00 0.00 C ATOM 2556 C CYS B 68 -8.369 -3.675 -6.195 1.00 0.00 C ATOM 2557 O CYS B 68 -8.596 -3.924 -5.024 1.00 0.00 O ATOM 2558 CB CYS B 68 -9.158 -1.340 -5.864 1.00 0.00 C ATOM 2559 SG CYS B 68 -9.507 0.207 -6.730 1.00 0.00 S ATOM 0 H CYS B 68 -11.005 -3.187 -6.764 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.343 -2.140 -7.697 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -9.969 -1.575 -5.175 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -8.252 -1.239 -5.267 1.00 0.00 H new ATOM 0 HG CYS B 68 -10.718 0.177 -7.201 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.592 -4.439 -6.919 1.00 0.00 N ATOM 2566 CA ASP B 69 -6.945 -5.632 -6.312 1.00 0.00 C ATOM 2567 C ASP B 69 -6.262 -5.209 -5.012 1.00 0.00 C ATOM 2568 O ASP B 69 -6.300 -4.058 -4.640 1.00 0.00 O ATOM 2569 CB ASP B 69 -5.915 -6.193 -7.289 1.00 0.00 C ATOM 2570 CG ASP B 69 -5.222 -7.404 -6.664 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -5.818 -8.023 -5.799 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -4.108 -7.694 -7.067 1.00 0.00 O ATOM 0 H ASP B 69 -7.380 -4.285 -7.905 1.00 0.00 H new ATOM 0 HA ASP B 69 -7.687 -6.401 -6.098 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -6.402 -6.481 -8.221 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -5.179 -5.428 -7.537 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.647 -6.122 -4.315 1.00 0.00 N ATOM 2578 CA PHE B 70 -4.982 -5.759 -3.028 1.00 0.00 C ATOM 2579 C PHE B 70 -3.687 -4.961 -3.285 1.00 0.00 C ATOM 2580 O PHE B 70 -3.267 -4.171 -2.459 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.669 -7.038 -2.223 1.00 0.00 C ATOM 2582 CG PHE B 70 -4.459 -8.209 -3.165 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -3.327 -8.259 -3.984 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -5.401 -9.245 -3.216 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -3.137 -9.341 -4.854 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -5.213 -10.326 -4.086 1.00 0.00 C ATOM 2587 CZ PHE B 70 -4.081 -10.374 -4.906 1.00 0.00 C ATOM 0 H PHE B 70 -5.575 -7.105 -4.579 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.660 -5.129 -2.452 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.777 -6.885 -1.616 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.488 -7.255 -1.537 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -2.598 -7.463 -3.946 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -6.275 -9.210 -2.582 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -2.261 -9.378 -5.485 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -5.942 -11.122 -4.124 1.00 0.00 H new ATOM 0 HZ PHE B 70 -3.935 -11.207 -5.578 1.00 0.00 H new ATOM 2597 N GLN B 71 -3.037 -5.181 -4.394 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.758 -4.466 -4.672 1.00 0.00 C ATOM 2599 C GLN B 71 -2.018 -3.000 -5.035 1.00 0.00 C ATOM 2600 O GLN B 71 -1.287 -2.121 -4.620 1.00 0.00 O ATOM 2601 CB GLN B 71 -1.003 -5.176 -5.813 1.00 0.00 C ATOM 2602 CG GLN B 71 -1.900 -5.297 -7.061 1.00 0.00 C ATOM 2603 CD GLN B 71 -1.843 -4.005 -7.876 1.00 0.00 C ATOM 2604 OE1 GLN B 71 -1.123 -3.088 -7.534 1.00 0.00 O ATOM 2605 NE2 GLN B 71 -2.574 -3.897 -8.952 1.00 0.00 N ATOM 0 H GLN B 71 -3.337 -5.828 -5.123 1.00 0.00 H new ATOM 0 HA GLN B 71 -1.145 -4.485 -3.771 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -0.099 -4.619 -6.060 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -0.688 -6.167 -5.487 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -1.573 -6.137 -7.673 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -2.928 -5.502 -6.761 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -3.178 -4.668 -9.238 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -2.541 -3.042 -9.507 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.060 -2.699 -5.770 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.330 -1.266 -6.102 1.00 0.00 C ATOM 2616 C GLU B 72 -4.208 -0.676 -5.001 1.00 0.00 C ATOM 2617 O GLU B 72 -4.066 0.468 -4.624 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.011 -1.159 -7.476 1.00 0.00 C ATOM 2619 CG GLU B 72 -5.477 -1.641 -7.413 1.00 0.00 C ATOM 2620 CD GLU B 72 -5.884 -2.234 -8.769 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -5.536 -1.645 -9.779 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -6.539 -3.266 -8.771 1.00 0.00 O ATOM 0 H GLU B 72 -3.726 -3.372 -6.149 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.396 -0.706 -6.157 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -3.980 -0.125 -7.820 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -3.461 -1.754 -8.205 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.591 -2.389 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -6.133 -0.809 -7.157 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.101 -1.454 -4.458 1.00 0.00 N ATOM 2630 CA PHE B 73 -5.962 -0.935 -3.355 1.00 0.00 C ATOM 2631 C PHE B 73 -5.055 -0.319 -2.302 1.00 0.00 C ATOM 2632 O PHE B 73 -5.279 0.767 -1.815 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.744 -2.104 -2.753 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.313 -1.777 -1.386 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -7.730 -0.476 -1.058 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.433 -2.808 -0.444 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.263 -0.219 0.208 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -7.971 -2.548 0.815 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.384 -1.258 1.141 1.00 0.00 C ATOM 0 H PHE B 73 -5.273 -2.423 -4.727 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.664 -0.186 -3.723 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.557 -2.378 -3.426 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.090 -2.972 -2.673 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -7.639 0.321 -1.781 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -7.108 -3.807 -0.695 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -8.582 0.780 0.467 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -8.068 -3.345 1.537 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.799 -1.058 2.118 1.00 0.00 H new ATOM 2649 N MET B 74 -4.009 -0.996 -1.967 1.00 0.00 N ATOM 2650 CA MET B 74 -3.072 -0.433 -0.976 1.00 0.00 C ATOM 2651 C MET B 74 -2.549 0.878 -1.560 1.00 0.00 C ATOM 2652 O MET B 74 -2.457 1.885 -0.890 1.00 0.00 O ATOM 2653 CB MET B 74 -1.935 -1.449 -0.764 1.00 0.00 C ATOM 2654 CG MET B 74 -1.428 -1.426 0.689 1.00 0.00 C ATOM 2655 SD MET B 74 0.326 -1.882 0.719 1.00 0.00 S ATOM 2656 CE MET B 74 0.506 -1.952 2.516 1.00 0.00 C ATOM 0 H MET B 74 -3.761 -1.914 -2.335 1.00 0.00 H new ATOM 0 HA MET B 74 -3.541 -0.240 -0.011 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.288 -2.450 -1.012 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.112 -1.224 -1.442 1.00 0.00 H new ATOM 0 HG2 MET B 74 -1.565 -0.434 1.118 1.00 0.00 H new ATOM 0 HG3 MET B 74 -2.006 -2.120 1.299 1.00 0.00 H new ATOM 0 HE1 MET B 74 1.548 -1.777 2.784 1.00 0.00 H new ATOM 0 HE2 MET B 74 -0.120 -1.187 2.974 1.00 0.00 H new ATOM 0 HE3 MET B 74 0.199 -2.934 2.874 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.187 0.849 -2.811 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.643 2.089 -3.446 1.00 0.00 C ATOM 2668 C ALA B 75 -2.605 3.255 -3.201 1.00 0.00 C ATOM 2669 O ALA B 75 -2.230 4.407 -3.287 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.463 1.870 -4.947 1.00 0.00 C ATOM 0 H ALA B 75 -2.242 0.032 -3.419 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.674 2.323 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.067 2.778 -5.402 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.768 1.047 -5.114 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.426 1.629 -5.398 1.00 0.00 H new ATOM 2676 N PHE B 76 -3.840 2.970 -2.889 1.00 0.00 N ATOM 2677 CA PHE B 76 -4.805 4.083 -2.631 1.00 0.00 C ATOM 2678 C PHE B 76 -4.519 4.669 -1.247 1.00 0.00 C ATOM 2679 O PHE B 76 -4.363 5.864 -1.093 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.256 3.584 -2.716 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.196 4.652 -2.192 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.232 5.912 -2.802 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -8.026 4.382 -1.093 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.097 6.898 -2.316 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -8.890 5.369 -0.610 1.00 0.00 C ATOM 2686 CZ PHE B 76 -8.927 6.626 -1.222 1.00 0.00 C ATOM 0 H PHE B 76 -4.222 2.028 -2.802 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.679 4.854 -3.391 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.507 3.340 -3.748 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.370 2.669 -2.135 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.593 6.122 -3.647 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -7.997 3.411 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -8.125 7.870 -2.785 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.529 5.161 0.236 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.597 7.388 -0.850 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.435 3.843 -0.241 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.140 4.373 1.122 1.00 0.00 C ATOM 2698 C VAL B 77 -2.821 5.157 1.081 1.00 0.00 C ATOM 2699 O VAL B 77 -2.665 6.167 1.740 1.00 0.00 O ATOM 2700 CB VAL B 77 -4.013 3.201 2.110 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.384 3.683 3.422 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -5.398 2.635 2.414 1.00 0.00 C ATOM 0 H VAL B 77 -4.557 2.832 -0.301 1.00 0.00 H new ATOM 0 HA VAL B 77 -4.947 5.031 1.445 1.00 0.00 H new ATOM 0 HB VAL B 77 -3.383 2.433 1.661 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.299 2.845 4.114 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.393 4.091 3.222 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.012 4.456 3.864 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -5.306 1.805 3.114 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -6.021 3.414 2.854 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.857 2.282 1.491 1.00 0.00 H new ATOM 2712 N SER B 78 -1.872 4.697 0.312 1.00 0.00 N ATOM 2713 CA SER B 78 -0.564 5.403 0.232 1.00 0.00 C ATOM 2714 C SER B 78 -0.769 6.761 -0.422 1.00 0.00 C ATOM 2715 O SER B 78 -0.103 7.724 -0.111 1.00 0.00 O ATOM 2716 CB SER B 78 0.428 4.575 -0.594 1.00 0.00 C ATOM 2717 OG SER B 78 1.184 5.432 -1.443 1.00 0.00 O ATOM 0 H SER B 78 -1.948 3.860 -0.266 1.00 0.00 H new ATOM 0 HA SER B 78 -0.162 5.536 1.236 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.095 4.024 0.068 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.109 3.838 -1.191 1.00 0.00 H new ATOM 0 HG SER B 78 2.120 5.142 -1.451 1.00 0.00 H new ATOM 2723 N MET B 79 -1.706 6.846 -1.308 1.00 0.00 N ATOM 2724 CA MET B 79 -1.979 8.149 -1.974 1.00 0.00 C ATOM 2725 C MET B 79 -2.618 9.072 -0.949 1.00 0.00 C ATOM 2726 O MET B 79 -2.491 10.280 -0.999 1.00 0.00 O ATOM 2727 CB MET B 79 -2.941 7.936 -3.154 1.00 0.00 C ATOM 2728 CG MET B 79 -3.001 9.192 -4.061 1.00 0.00 C ATOM 2729 SD MET B 79 -3.135 8.685 -5.800 1.00 0.00 S ATOM 2730 CE MET B 79 -4.874 9.117 -6.065 1.00 0.00 C ATOM 0 H MET B 79 -2.300 6.072 -1.605 1.00 0.00 H new ATOM 0 HA MET B 79 -1.055 8.585 -2.353 1.00 0.00 H new ATOM 0 HB2 MET B 79 -2.617 7.076 -3.740 1.00 0.00 H new ATOM 0 HB3 MET B 79 -3.938 7.708 -2.777 1.00 0.00 H new ATOM 0 HG2 MET B 79 -3.855 9.811 -3.786 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.108 9.800 -3.917 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.156 8.878 -7.090 1.00 0.00 H new ATOM 0 HE2 MET B 79 -5.499 8.550 -5.375 1.00 0.00 H new ATOM 0 HE3 MET B 79 -5.015 10.183 -5.889 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.278 8.488 0.004 1.00 0.00 N ATOM 2741 CA VAL B 80 -3.916 9.275 1.081 1.00 0.00 C ATOM 2742 C VAL B 80 -2.860 9.498 2.139 1.00 0.00 C ATOM 2743 O VAL B 80 -2.812 10.525 2.785 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.086 8.487 1.690 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -5.682 9.260 2.871 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -6.170 8.269 0.636 1.00 0.00 C ATOM 0 H VAL B 80 -3.403 7.479 0.081 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.303 10.218 0.694 1.00 0.00 H new ATOM 0 HB VAL B 80 -4.714 7.523 2.038 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -6.511 8.693 3.296 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.916 9.409 3.632 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -6.044 10.229 2.526 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -6.997 7.710 1.074 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -6.532 9.234 0.282 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -5.756 7.707 -0.201 1.00 0.00 H new ATOM 2756 N THR B 81 -2.005 8.531 2.322 1.00 0.00 N ATOM 2757 CA THR B 81 -0.943 8.680 3.338 1.00 0.00 C ATOM 2758 C THR B 81 0.091 9.660 2.814 1.00 0.00 C ATOM 2759 O THR B 81 0.686 10.410 3.560 1.00 0.00 O ATOM 2760 CB THR B 81 -0.274 7.325 3.584 1.00 0.00 C ATOM 2761 OG1 THR B 81 -1.267 6.315 3.671 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.518 7.372 4.885 1.00 0.00 C ATOM 0 H THR B 81 -2.001 7.649 1.810 1.00 0.00 H new ATOM 0 HA THR B 81 -1.371 9.044 4.272 1.00 0.00 H new ATOM 0 HB THR B 81 0.401 7.102 2.758 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.696 6.202 2.797 1.00 0.00 H new ATOM 0 HG21 THR B 81 0.993 6.406 5.057 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.283 8.145 4.818 1.00 0.00 H new ATOM 0 HG23 THR B 81 -0.155 7.598 5.712 1.00 0.00 H new ATOM 2770 N THR B 82 0.336 9.641 1.532 1.00 0.00 N ATOM 2771 CA THR B 82 1.365 10.557 0.966 1.00 0.00 C ATOM 2772 C THR B 82 0.933 12.012 1.118 1.00 0.00 C ATOM 2773 O THR B 82 1.732 12.869 1.441 1.00 0.00 O ATOM 2774 CB THR B 82 1.549 10.231 -0.512 1.00 0.00 C ATOM 2775 OG1 THR B 82 0.277 10.097 -1.128 1.00 0.00 O ATOM 2776 CG2 THR B 82 2.324 8.921 -0.653 1.00 0.00 C ATOM 0 H THR B 82 -0.129 9.035 0.856 1.00 0.00 H new ATOM 0 HA THR B 82 2.303 10.420 1.504 1.00 0.00 H new ATOM 0 HB THR B 82 2.104 11.035 -0.995 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.076 9.199 -0.958 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.455 8.688 -1.710 1.00 0.00 H new ATOM 0 HG22 THR B 82 3.301 9.023 -0.180 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.769 8.116 -0.170 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.317 12.310 0.902 1.00 0.00 N ATOM 2785 CA ALA B 83 -0.764 13.716 1.052 1.00 0.00 C ATOM 2786 C ALA B 83 -0.594 14.126 2.511 1.00 0.00 C ATOM 2787 O ALA B 83 -0.209 15.238 2.815 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.236 13.832 0.648 1.00 0.00 C ATOM 0 H ALA B 83 -1.041 11.645 0.630 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.170 14.369 0.412 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -2.563 14.866 0.759 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -2.354 13.523 -0.391 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -2.841 13.189 1.288 1.00 0.00 H new ATOM 2794 N CYS B 84 -0.870 13.228 3.418 1.00 0.00 N ATOM 2795 CA CYS B 84 -0.715 13.566 4.861 1.00 0.00 C ATOM 2796 C CYS B 84 0.773 13.750 5.174 1.00 0.00 C ATOM 2797 O CYS B 84 1.145 14.309 6.189 1.00 0.00 O ATOM 2798 CB CYS B 84 -1.283 12.429 5.715 1.00 0.00 C ATOM 2799 SG CYS B 84 -0.936 12.756 7.458 1.00 0.00 S ATOM 0 H CYS B 84 -1.194 12.281 3.223 1.00 0.00 H new ATOM 0 HA CYS B 84 -1.253 14.487 5.085 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -2.358 12.343 5.557 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -0.840 11.479 5.417 1.00 0.00 H new ATOM 0 HG CYS B 84 0.092 13.546 7.555 1.00 0.00 H new ATOM 2805 N HIS B 85 1.625 13.283 4.303 1.00 0.00 N ATOM 2806 CA HIS B 85 3.100 13.410 4.520 1.00 0.00 C ATOM 2807 C HIS B 85 3.653 14.528 3.627 1.00 0.00 C ATOM 2808 O HIS B 85 4.563 15.231 4.002 1.00 0.00 O ATOM 2809 CB HIS B 85 3.760 12.061 4.161 1.00 0.00 C ATOM 2810 CG HIS B 85 5.213 12.237 3.783 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.790 11.527 2.741 1.00 0.00 N ATOM 2812 CD2 HIS B 85 6.208 13.037 4.289 1.00 0.00 C ATOM 2813 CE1 HIS B 85 7.076 11.910 2.654 1.00 0.00 C ATOM 2814 NE2 HIS B 85 7.384 12.828 3.573 1.00 0.00 N ATOM 0 H HIS B 85 1.361 12.812 3.438 1.00 0.00 H new ATOM 0 HA HIS B 85 3.314 13.659 5.559 1.00 0.00 H new ATOM 0 HB2 HIS B 85 3.684 11.381 5.009 1.00 0.00 H new ATOM 0 HB3 HIS B 85 3.221 11.600 3.333 1.00 0.00 H new ATOM 0 HD1 HIS B 85 5.324 10.840 2.149 1.00 0.00 H new ATOM 0 HD2 HIS B 85 6.096 13.723 5.116 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.775 11.522 1.928 1.00 0.00 H new ATOM 2822 N GLU B 86 3.125 14.671 2.442 1.00 0.00 N ATOM 2823 CA GLU B 86 3.641 15.715 1.509 1.00 0.00 C ATOM 2824 C GLU B 86 3.143 17.107 1.904 1.00 0.00 C ATOM 2825 O GLU B 86 3.895 18.062 1.911 1.00 0.00 O ATOM 2826 CB GLU B 86 3.165 15.392 0.090 1.00 0.00 C ATOM 2827 CG GLU B 86 3.721 16.429 -0.890 1.00 0.00 C ATOM 2828 CD GLU B 86 3.613 15.888 -2.322 1.00 0.00 C ATOM 2829 OE1 GLU B 86 4.397 15.019 -2.671 1.00 0.00 O ATOM 2830 OE2 GLU B 86 2.743 16.349 -3.043 1.00 0.00 O ATOM 0 H GLU B 86 2.356 14.108 2.078 1.00 0.00 H new ATOM 0 HA GLU B 86 4.730 15.716 1.557 1.00 0.00 H new ATOM 0 HB2 GLU B 86 3.495 14.393 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU B 86 2.076 15.390 0.053 1.00 0.00 H new ATOM 0 HG2 GLU B 86 3.167 17.364 -0.800 1.00 0.00 H new ATOM 0 HG3 GLU B 86 4.761 16.650 -0.651 1.00 0.00 H new ATOM 2837 N PHE B 87 1.888 17.246 2.208 1.00 0.00 N ATOM 2838 CA PHE B 87 1.364 18.595 2.572 1.00 0.00 C ATOM 2839 C PHE B 87 1.989 19.061 3.891 1.00 0.00 C ATOM 2840 O PHE B 87 2.336 20.216 4.048 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.164 18.530 2.711 1.00 0.00 C ATOM 2842 CG PHE B 87 -0.806 18.584 1.338 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -0.525 17.589 0.395 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -1.674 19.636 1.006 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -1.108 17.643 -0.876 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -2.260 19.688 -0.263 1.00 0.00 C ATOM 2847 CZ PHE B 87 -1.977 18.692 -1.205 1.00 0.00 C ATOM 0 H PHE B 87 1.202 16.491 2.222 1.00 0.00 H new ATOM 0 HA PHE B 87 1.625 19.306 1.788 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -0.453 17.612 3.222 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -0.519 19.360 3.322 1.00 0.00 H new ATOM 0 HD1 PHE B 87 0.142 16.779 0.648 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -1.890 20.406 1.731 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -0.888 16.876 -1.604 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -2.930 20.496 -0.516 1.00 0.00 H new ATOM 0 HZ PHE B 87 -2.428 18.732 -2.185 1.00 0.00 H new ATOM 2857 N PHE B 88 2.129 18.183 4.844 1.00 0.00 N ATOM 2858 CA PHE B 88 2.727 18.592 6.149 1.00 0.00 C ATOM 2859 C PHE B 88 4.247 18.493 6.067 1.00 0.00 C ATOM 2860 O PHE B 88 4.935 18.451 7.069 1.00 0.00 O ATOM 2861 CB PHE B 88 2.212 17.674 7.254 1.00 0.00 C ATOM 2862 CG PHE B 88 0.748 17.951 7.489 1.00 0.00 C ATOM 2863 CD1 PHE B 88 0.361 18.977 8.356 1.00 0.00 C ATOM 2864 CD2 PHE B 88 -0.221 17.183 6.838 1.00 0.00 C ATOM 2865 CE1 PHE B 88 -0.997 19.235 8.576 1.00 0.00 C ATOM 2866 CE2 PHE B 88 -1.581 17.439 7.055 1.00 0.00 C ATOM 2867 CZ PHE B 88 -1.969 18.465 7.926 1.00 0.00 C ATOM 0 H PHE B 88 1.857 17.202 4.778 1.00 0.00 H new ATOM 0 HA PHE B 88 2.444 19.621 6.372 1.00 0.00 H new ATOM 0 HB2 PHE B 88 2.356 16.631 6.973 1.00 0.00 H new ATOM 0 HB3 PHE B 88 2.777 17.838 8.172 1.00 0.00 H new ATOM 0 HD1 PHE B 88 1.111 19.571 8.857 1.00 0.00 H new ATOM 0 HD2 PHE B 88 0.079 16.392 6.167 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -1.295 20.027 9.247 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -2.330 16.846 6.551 1.00 0.00 H new ATOM 0 HZ PHE B 88 -3.017 18.662 8.096 1.00 0.00 H new ATOM 2877 N GLU B 89 4.781 18.459 4.880 1.00 0.00 N ATOM 2878 CA GLU B 89 6.259 18.371 4.734 1.00 0.00 C ATOM 2879 C GLU B 89 6.853 19.773 4.818 1.00 0.00 C ATOM 2880 O GLU B 89 6.787 20.421 5.842 1.00 0.00 O ATOM 2881 CB GLU B 89 6.605 17.733 3.385 1.00 0.00 C ATOM 2882 CG GLU B 89 8.091 17.367 3.363 1.00 0.00 C ATOM 2883 CD GLU B 89 8.318 16.110 4.214 1.00 0.00 C ATOM 2884 OE1 GLU B 89 8.463 16.249 5.418 1.00 0.00 O ATOM 2885 OE2 GLU B 89 8.339 15.029 3.647 1.00 0.00 O ATOM 0 H GLU B 89 4.258 18.488 4.005 1.00 0.00 H new ATOM 0 HA GLU B 89 6.674 17.755 5.532 1.00 0.00 H new ATOM 0 HB2 GLU B 89 5.997 16.842 3.225 1.00 0.00 H new ATOM 0 HB3 GLU B 89 6.377 18.425 2.574 1.00 0.00 H new ATOM 0 HG2 GLU B 89 8.418 17.190 2.338 1.00 0.00 H new ATOM 0 HG3 GLU B 89 8.687 18.194 3.750 1.00 0.00 H new ATOM 2892 N HIS B 90 7.431 20.249 3.758 1.00 0.00 N ATOM 2893 CA HIS B 90 8.022 21.612 3.799 1.00 0.00 C ATOM 2894 C HIS B 90 6.904 22.651 3.850 1.00 0.00 C ATOM 2895 O HIS B 90 6.314 22.996 2.843 1.00 0.00 O ATOM 2896 CB HIS B 90 8.873 21.835 2.552 1.00 0.00 C ATOM 2897 CG HIS B 90 9.471 23.213 2.595 1.00 0.00 C ATOM 2898 ND1 HIS B 90 8.772 24.337 2.183 1.00 0.00 N ATOM 2899 CD2 HIS B 90 10.705 23.662 2.994 1.00 0.00 C ATOM 2900 CE1 HIS B 90 9.585 25.399 2.338 1.00 0.00 C ATOM 2901 NE2 HIS B 90 10.771 25.040 2.830 1.00 0.00 N ATOM 0 H HIS B 90 7.521 19.758 2.868 1.00 0.00 H new ATOM 0 HA HIS B 90 8.648 21.711 4.686 1.00 0.00 H new ATOM 0 HB2 HIS B 90 9.663 21.086 2.499 1.00 0.00 H new ATOM 0 HB3 HIS B 90 8.263 21.719 1.656 1.00 0.00 H new ATOM 0 HD1 HIS B 90 7.816 24.356 1.827 1.00 0.00 H new ATOM 0 HD2 HIS B 90 11.501 23.040 3.376 1.00 0.00 H new ATOM 0 HE1 HIS B 90 9.311 26.415 2.094 1.00 0.00 H new ATOM 2910 N GLU B 91 6.612 23.158 5.015 1.00 0.00 N ATOM 2911 CA GLU B 91 5.536 24.182 5.134 1.00 0.00 C ATOM 2912 C GLU B 91 6.077 25.541 4.689 1.00 0.00 C ATOM 2913 O GLU B 91 6.646 26.229 5.522 1.00 0.00 O ATOM 2914 CB GLU B 91 5.079 24.270 6.592 1.00 0.00 C ATOM 2915 CG GLU B 91 3.907 25.253 6.705 1.00 0.00 C ATOM 2916 CD GLU B 91 3.177 25.039 8.032 1.00 0.00 C ATOM 2917 OE1 GLU B 91 2.694 23.940 8.251 1.00 0.00 O ATOM 2918 OE2 GLU B 91 3.106 25.982 8.803 1.00 0.00 O ATOM 2919 OXT GLU B 91 5.914 25.872 3.528 1.00 0.00 O ATOM 0 H GLU B 91 7.072 22.908 5.890 1.00 0.00 H new ATOM 0 HA GLU B 91 4.693 23.901 4.503 1.00 0.00 H new ATOM 0 HB2 GLU B 91 4.777 23.285 6.949 1.00 0.00 H new ATOM 0 HB3 GLU B 91 5.905 24.598 7.223 1.00 0.00 H new ATOM 0 HG2 GLU B 91 4.273 26.278 6.642 1.00 0.00 H new ATOM 0 HG3 GLU B 91 3.218 25.109 5.873 1.00 0.00 H new TER 2926 GLU B 91 HETATM 2927 CA CA A 92 14.496 8.051 -1.297 1.00 0.00 CA HETATM 2928 CA CA A 93 7.768 2.708 -10.462 1.00 0.00 CA HETATM 2929 ZN ZN A 94 9.218 13.326 2.867 1.00 0.00 ZN HETATM 2930 CA CA B 92 -14.678 -7.821 -1.326 1.00 0.00 CA HETATM 2931 CA CA B 93 -7.729 -2.575 -10.352 1.00 0.00 CA HETATM 2932 ZN ZN B 94 -9.238 -13.459 2.431 1.00 0.00 ZN