USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 LYS NZ :NH3+ -134:sc= -0.366 (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc= -1.22 K(o=-1.6,f=-3.3) USER MOD Single : A 3 THR OG1 : rot 39:sc= 0.0281 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 119:sc= 1.18 USER MOD Single : A 7 GLN : amide:sc= -5.54! C(o=-5.5!,f=-5.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 81:sc= 1.29 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -66:sc= 0.593 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.343) USER MOD Single : A 24 ASN : amide:sc= -0.832! K(o=-0.83!,f=-2.1) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0407 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 34 HIS : no HE2:sc= -0.896! C(o=-0.9!,f=-4.3!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -14.5! C(o=-14!,f=-14!) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0742) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-3.1!) USER MOD Single : A 49 SER OG : rot 180:sc= 0.00623 USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= -0.0993 (180deg=-0.751) USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= 0.245! (180deg=-0.125!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= -1.7 USER MOD Single : A 63 TYR OH : rot 36:sc= 0.862 USER MOD Single : A 69 LYS NZ :NH3+ -157:sc= -0.0585 (180deg=-0.733) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -13:sc= -2.66! USER MOD Single : B 175 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 14.631 -13.370 -0.307 1.00 1.00 N ATOM 2 CA THR A 3 14.337 -12.130 -1.004 1.00 1.00 C ATOM 3 C THR A 3 14.602 -10.930 -0.091 1.00 1.00 C ATOM 4 O THR A 3 14.538 -11.040 1.132 1.00 1.00 O ATOM 5 CB THR A 3 12.871 -12.110 -1.462 1.00 1.00 C ATOM 6 OG1 THR A 3 12.680 -13.110 -2.457 1.00 1.00 O ATOM 7 CG2 THR A 3 12.515 -10.740 -2.041 1.00 1.00 C ATOM 0 HA THR A 3 14.987 -12.066 -1.877 1.00 1.00 H new ATOM 0 HB THR A 3 12.226 -12.308 -0.606 1.00 1.00 H new ATOM 0 HG1 THR A 3 13.198 -13.908 -2.223 1.00 1.00 H new ATOM 0 HG21 THR A 3 11.473 -10.740 -2.362 1.00 1.00 H new ATOM 0 HG22 THR A 3 12.660 -9.974 -1.279 1.00 1.00 H new ATOM 0 HG23 THR A 3 13.158 -10.528 -2.896 1.00 1.00 H new ATOM 15 N SER A 4 14.897 -9.784 -0.698 1.00 1.00 N ATOM 16 CA SER A 4 15.166 -8.574 0.070 1.00 1.00 C ATOM 17 C SER A 4 13.868 -7.997 0.631 1.00 1.00 C ATOM 18 O SER A 4 12.791 -8.170 0.052 1.00 1.00 O ATOM 19 CB SER A 4 15.864 -7.535 -0.810 1.00 1.00 C ATOM 20 OG SER A 4 17.229 -7.895 -0.968 1.00 1.00 O ATOM 0 H SER A 4 14.955 -9.668 -1.710 1.00 1.00 H new ATOM 0 HA SER A 4 15.821 -8.831 0.902 1.00 1.00 H new ATOM 0 HB2 SER A 4 15.376 -7.479 -1.783 1.00 1.00 H new ATOM 0 HB3 SER A 4 15.787 -6.547 -0.357 1.00 1.00 H new ATOM 0 HG SER A 4 17.679 -7.232 -1.533 1.00 1.00 H new ATOM 26 N THR A 5 13.980 -7.314 1.762 1.00 1.00 N ATOM 27 CA THR A 5 12.815 -6.722 2.402 1.00 1.00 C ATOM 28 C THR A 5 12.177 -5.695 1.485 1.00 1.00 C ATOM 29 O THR A 5 10.952 -5.624 1.369 1.00 1.00 O ATOM 30 CB THR A 5 13.219 -6.033 3.711 1.00 1.00 C ATOM 31 OG1 THR A 5 14.111 -6.872 4.431 1.00 1.00 O ATOM 32 CG2 THR A 5 11.976 -5.784 4.567 1.00 1.00 C ATOM 0 H THR A 5 14.861 -7.157 2.252 1.00 1.00 H new ATOM 0 HA THR A 5 12.102 -7.519 2.613 1.00 1.00 H new ATOM 0 HB THR A 5 13.704 -5.084 3.481 1.00 1.00 H new ATOM 0 HG1 THR A 5 14.968 -6.412 4.550 1.00 1.00 H new ATOM 0 HG21 THR A 5 12.266 -5.294 5.496 1.00 1.00 H new ATOM 0 HG22 THR A 5 11.281 -5.145 4.022 1.00 1.00 H new ATOM 0 HG23 THR A 5 11.494 -6.735 4.793 1.00 1.00 H new ATOM 40 N LEU A 6 13.007 -4.886 0.841 1.00 1.00 N ATOM 41 CA LEU A 6 12.489 -3.862 -0.045 1.00 1.00 C ATOM 42 C LEU A 6 11.762 -4.487 -1.225 1.00 1.00 C ATOM 43 O LEU A 6 10.682 -4.040 -1.609 1.00 1.00 O ATOM 44 CB LEU A 6 13.632 -2.988 -0.553 1.00 1.00 C ATOM 45 CG LEU A 6 13.074 -1.785 -1.326 1.00 1.00 C ATOM 46 CD1 LEU A 6 12.233 -0.894 -0.399 1.00 1.00 C ATOM 47 CD2 LEU A 6 14.232 -0.966 -1.879 1.00 1.00 C ATOM 0 H LEU A 6 14.024 -4.919 0.915 1.00 1.00 H new ATOM 0 HA LEU A 6 11.782 -3.249 0.515 1.00 1.00 H new ATOM 0 HB2 LEU A 6 14.236 -2.642 0.286 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.288 -3.572 -1.199 1.00 1.00 H new ATOM 0 HG LEU A 6 12.444 -2.150 -2.138 1.00 1.00 H new ATOM 0 HD11 LEU A 6 11.845 -0.046 -0.963 1.00 1.00 H new ATOM 0 HD12 LEU A 6 11.402 -1.472 0.005 1.00 1.00 H new ATOM 0 HD13 LEU A 6 12.855 -0.531 0.420 1.00 1.00 H new ATOM 0 HD21 LEU A 6 13.842 -0.110 -2.429 1.00 1.00 H new ATOM 0 HD22 LEU A 6 14.855 -0.615 -1.056 1.00 1.00 H new ATOM 0 HD23 LEU A 6 14.829 -1.586 -2.548 1.00 1.00 H new ATOM 59 N GLN A 7 12.357 -5.524 -1.798 1.00 1.00 N ATOM 60 CA GLN A 7 11.745 -6.199 -2.931 1.00 1.00 C ATOM 61 C GLN A 7 10.344 -6.637 -2.554 1.00 1.00 C ATOM 62 O GLN A 7 9.392 -6.421 -3.303 1.00 1.00 O ATOM 63 CB GLN A 7 12.586 -7.414 -3.310 1.00 1.00 C ATOM 64 CG GLN A 7 12.261 -7.886 -4.727 1.00 1.00 C ATOM 65 CD GLN A 7 10.769 -8.065 -4.902 1.00 1.00 C ATOM 66 OE1 GLN A 7 10.198 -9.053 -4.439 1.00 1.00 O ATOM 67 NE2 GLN A 7 10.099 -7.153 -5.533 1.00 1.00 N ATOM 0 H GLN A 7 13.252 -5.912 -1.501 1.00 1.00 H new ATOM 0 HA GLN A 7 11.693 -5.521 -3.782 1.00 1.00 H new ATOM 0 HB2 GLN A 7 13.645 -7.164 -3.240 1.00 1.00 H new ATOM 0 HB3 GLN A 7 12.402 -8.223 -2.603 1.00 1.00 H new ATOM 0 HG2 GLN A 7 12.633 -7.161 -5.451 1.00 1.00 H new ATOM 0 HG3 GLN A 7 12.771 -8.828 -4.928 1.00 1.00 H new ATOM 0 HE21 GLN A 7 10.580 -6.338 -5.913 1.00 1.00 H new ATOM 0 HE22 GLN A 7 9.090 -7.250 -5.650 1.00 1.00 H new ATOM 76 N LYS A 8 10.221 -7.240 -1.385 1.00 1.00 N ATOM 77 CA LYS A 8 8.918 -7.679 -0.932 1.00 1.00 C ATOM 78 C LYS A 8 7.991 -6.471 -0.845 1.00 1.00 C ATOM 79 O LYS A 8 6.821 -6.550 -1.210 1.00 1.00 O ATOM 80 CB LYS A 8 9.036 -8.372 0.445 1.00 1.00 C ATOM 81 CG LYS A 8 8.985 -9.904 0.301 1.00 1.00 C ATOM 82 CD LYS A 8 7.529 -10.360 0.169 1.00 1.00 C ATOM 83 CE LYS A 8 7.481 -11.890 0.113 1.00 1.00 C ATOM 84 NZ LYS A 8 6.072 -12.330 -0.077 1.00 1.00 N ATOM 0 H LYS A 8 10.991 -7.433 -0.745 1.00 1.00 H new ATOM 0 HA LYS A 8 8.507 -8.400 -1.639 1.00 1.00 H new ATOM 0 HB2 LYS A 8 9.971 -8.080 0.924 1.00 1.00 H new ATOM 0 HB3 LYS A 8 8.227 -8.038 1.094 1.00 1.00 H new ATOM 0 HG2 LYS A 8 9.555 -10.216 -0.574 1.00 1.00 H new ATOM 0 HG3 LYS A 8 9.447 -10.376 1.168 1.00 1.00 H new ATOM 0 HD2 LYS A 8 6.944 -9.997 1.014 1.00 1.00 H new ATOM 0 HD3 LYS A 8 7.084 -9.937 -0.732 1.00 1.00 H new ATOM 0 HE2 LYS A 8 8.102 -12.255 -0.705 1.00 1.00 H new ATOM 0 HE3 LYS A 8 7.885 -12.312 1.033 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 6.035 -13.369 -0.116 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 5.493 -11.992 0.718 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 5.703 -11.937 -0.966 1.00 1.00 H new ATOM 98 N ALA A 9 8.517 -5.352 -0.357 1.00 1.00 N ATOM 99 CA ALA A 9 7.702 -4.158 -0.232 1.00 1.00 C ATOM 100 C ALA A 9 7.109 -3.775 -1.587 1.00 1.00 C ATOM 101 O ALA A 9 5.904 -3.563 -1.713 1.00 1.00 O ATOM 102 CB ALA A 9 8.560 -3.018 0.331 1.00 1.00 C ATOM 0 H ALA A 9 9.484 -5.251 -0.049 1.00 1.00 H new ATOM 0 HA ALA A 9 6.875 -4.351 0.452 1.00 1.00 H new ATOM 0 HB1 ALA A 9 7.952 -2.118 0.427 1.00 1.00 H new ATOM 0 HB2 ALA A 9 8.945 -3.302 1.310 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.393 -2.823 -0.344 1.00 1.00 H new ATOM 108 N ILE A 10 7.967 -3.703 -2.597 1.00 1.00 N ATOM 109 CA ILE A 10 7.525 -3.366 -3.943 1.00 1.00 C ATOM 110 C ILE A 10 6.594 -4.462 -4.471 1.00 1.00 C ATOM 111 O ILE A 10 5.597 -4.201 -5.124 1.00 1.00 O ATOM 112 CB ILE A 10 8.739 -3.199 -4.863 1.00 1.00 C ATOM 113 CG1 ILE A 10 9.541 -1.960 -4.443 1.00 1.00 C ATOM 114 CG2 ILE A 10 8.266 -3.028 -6.306 1.00 1.00 C ATOM 115 CD1 ILE A 10 10.911 -1.989 -5.128 1.00 1.00 C ATOM 0 H ILE A 10 8.969 -3.873 -2.510 1.00 1.00 H new ATOM 0 HA ILE A 10 6.977 -2.424 -3.920 1.00 1.00 H new ATOM 0 HB ILE A 10 9.371 -4.084 -4.786 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.003 -1.053 -4.719 1.00 1.00 H new ATOM 0 HG13 ILE A 10 9.663 -1.941 -3.360 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.130 -2.909 -6.960 1.00 1.00 H new ATOM 0 HG22 ILE A 10 7.699 -3.908 -6.610 1.00 1.00 H new ATOM 0 HG23 ILE A 10 7.632 -2.145 -6.379 1.00 1.00 H new ATOM 0 HD11 ILE A 10 11.484 -1.110 -4.832 1.00 1.00 H new ATOM 0 HD12 ILE A 10 11.448 -2.890 -4.830 1.00 1.00 H new ATOM 0 HD13 ILE A 10 10.777 -1.988 -6.210 1.00 1.00 H new ATOM 127 N ASP A 11 6.948 -5.701 -4.241 1.00 1.00 N ATOM 128 CA ASP A 11 6.126 -6.785 -4.739 1.00 1.00 C ATOM 129 C ASP A 11 4.716 -6.695 -4.159 1.00 1.00 C ATOM 130 O ASP A 11 3.717 -6.806 -4.883 1.00 1.00 O ATOM 131 CB ASP A 11 6.761 -8.109 -4.348 1.00 1.00 C ATOM 132 CG ASP A 11 6.116 -9.257 -5.115 1.00 1.00 C ATOM 133 OD1 ASP A 11 5.134 -9.014 -5.796 1.00 1.00 O ATOM 134 OD2 ASP A 11 6.616 -10.360 -5.009 1.00 1.00 O ATOM 0 H ASP A 11 7.780 -5.985 -3.724 1.00 1.00 H new ATOM 0 HA ASP A 11 6.057 -6.714 -5.825 1.00 1.00 H new ATOM 0 HB2 ASP A 11 7.831 -8.081 -4.555 1.00 1.00 H new ATOM 0 HB3 ASP A 11 6.648 -8.271 -3.276 1.00 1.00 H new ATOM 139 N LEU A 12 4.640 -6.498 -2.849 1.00 1.00 N ATOM 140 CA LEU A 12 3.357 -6.409 -2.173 1.00 1.00 C ATOM 141 C LEU A 12 2.566 -5.198 -2.647 1.00 1.00 C ATOM 142 O LEU A 12 1.369 -5.290 -2.888 1.00 1.00 O ATOM 143 CB LEU A 12 3.591 -6.283 -0.663 1.00 1.00 C ATOM 144 CG LEU A 12 4.258 -7.556 -0.116 1.00 1.00 C ATOM 145 CD1 LEU A 12 4.962 -7.241 1.211 1.00 1.00 C ATOM 146 CD2 LEU A 12 3.217 -8.655 0.110 1.00 1.00 C ATOM 0 H LEU A 12 5.450 -6.397 -2.237 1.00 1.00 H new ATOM 0 HA LEU A 12 2.788 -7.310 -2.403 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.221 -5.418 -0.457 1.00 1.00 H new ATOM 0 HB3 LEU A 12 2.642 -6.115 -0.154 1.00 1.00 H new ATOM 0 HG LEU A 12 4.987 -7.907 -0.847 1.00 1.00 H new ATOM 0 HD11 LEU A 12 5.434 -8.145 1.596 1.00 1.00 H new ATOM 0 HD12 LEU A 12 5.722 -6.477 1.047 1.00 1.00 H new ATOM 0 HD13 LEU A 12 4.231 -6.877 1.933 1.00 1.00 H new ATOM 0 HD21 LEU A 12 3.708 -9.548 0.497 1.00 1.00 H new ATOM 0 HD22 LEU A 12 2.473 -8.310 0.828 1.00 1.00 H new ATOM 0 HD23 LEU A 12 2.727 -8.891 -0.834 1.00 1.00 H new ATOM 158 N VAL A 13 3.240 -4.066 -2.790 1.00 1.00 N ATOM 159 CA VAL A 13 2.560 -2.852 -3.229 1.00 1.00 C ATOM 160 C VAL A 13 2.022 -3.027 -4.646 1.00 1.00 C ATOM 161 O VAL A 13 0.922 -2.574 -4.971 1.00 1.00 O ATOM 162 CB VAL A 13 3.521 -1.653 -3.136 1.00 1.00 C ATOM 163 CG1 VAL A 13 4.387 -1.561 -4.384 1.00 1.00 C ATOM 164 CG2 VAL A 13 2.747 -0.341 -2.984 1.00 1.00 C ATOM 0 H VAL A 13 4.239 -3.960 -2.613 1.00 1.00 H new ATOM 0 HA VAL A 13 1.710 -2.659 -2.575 1.00 1.00 H new ATOM 0 HB VAL A 13 4.150 -1.809 -2.260 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.059 -0.707 -4.298 1.00 1.00 H new ATOM 0 HG12 VAL A 13 4.972 -2.474 -4.489 1.00 1.00 H new ATOM 0 HG13 VAL A 13 3.751 -1.435 -5.260 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.449 0.490 -2.920 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.096 -0.201 -3.847 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.144 -0.377 -2.076 1.00 1.00 H new ATOM 174 N THR A 14 2.799 -3.706 -5.478 1.00 1.00 N ATOM 175 CA THR A 14 2.382 -3.947 -6.851 1.00 1.00 C ATOM 176 C THR A 14 1.063 -4.708 -6.843 1.00 1.00 C ATOM 177 O THR A 14 0.116 -4.363 -7.565 1.00 1.00 O ATOM 178 CB THR A 14 3.457 -4.749 -7.586 1.00 1.00 C ATOM 179 OG1 THR A 14 4.651 -3.981 -7.649 1.00 1.00 O ATOM 180 CG2 THR A 14 2.981 -5.077 -9.002 1.00 1.00 C ATOM 0 H THR A 14 3.709 -4.095 -5.231 1.00 1.00 H new ATOM 0 HA THR A 14 2.246 -2.998 -7.369 1.00 1.00 H new ATOM 0 HB THR A 14 3.647 -5.679 -7.051 1.00 1.00 H new ATOM 0 HG1 THR A 14 5.130 -4.051 -6.797 1.00 1.00 H new ATOM 0 HG21 THR A 14 3.750 -5.648 -9.521 1.00 1.00 H new ATOM 0 HG22 THR A 14 2.065 -5.665 -8.951 1.00 1.00 H new ATOM 0 HG23 THR A 14 2.788 -4.152 -9.545 1.00 1.00 H new ATOM 188 N LYS A 15 0.991 -5.729 -6.002 1.00 1.00 N ATOM 189 CA LYS A 15 -0.225 -6.499 -5.902 1.00 1.00 C ATOM 190 C LYS A 15 -1.355 -5.591 -5.443 1.00 1.00 C ATOM 191 O LYS A 15 -2.468 -5.664 -5.940 1.00 1.00 O ATOM 192 CB LYS A 15 -0.035 -7.649 -4.920 1.00 1.00 C ATOM 193 CG LYS A 15 -1.253 -8.607 -4.977 1.00 1.00 C ATOM 194 CD LYS A 15 -0.839 -9.932 -5.643 1.00 1.00 C ATOM 195 CE LYS A 15 0.205 -10.660 -4.776 1.00 1.00 C ATOM 196 NZ LYS A 15 -0.055 -12.120 -4.835 1.00 1.00 N ATOM 0 H LYS A 15 1.749 -6.034 -5.392 1.00 1.00 H new ATOM 0 HA LYS A 15 -0.474 -6.917 -6.877 1.00 1.00 H new ATOM 0 HB2 LYS A 15 0.878 -8.195 -5.159 1.00 1.00 H new ATOM 0 HB3 LYS A 15 0.083 -7.258 -3.909 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.627 -8.796 -3.971 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -2.066 -8.145 -5.538 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -1.714 -10.567 -5.781 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -0.427 -9.737 -6.633 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.211 -10.441 -5.134 1.00 1.00 H new ATOM 0 HE3 LYS A 15 0.150 -10.309 -3.746 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 0.645 -12.621 -4.252 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -1.010 -12.317 -4.474 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 0.017 -12.446 -5.820 1.00 1.00 H new ATOM 210 N ALA A 16 -1.071 -4.731 -4.484 1.00 1.00 N ATOM 211 CA ALA A 16 -2.093 -3.831 -3.980 1.00 1.00 C ATOM 212 C ALA A 16 -2.752 -3.076 -5.117 1.00 1.00 C ATOM 213 O ALA A 16 -3.973 -2.934 -5.158 1.00 1.00 O ATOM 214 CB ALA A 16 -1.467 -2.819 -3.003 1.00 1.00 C ATOM 0 H ALA A 16 -0.156 -4.636 -4.043 1.00 1.00 H new ATOM 0 HA ALA A 16 -2.846 -4.428 -3.465 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -2.240 -2.148 -2.630 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -1.015 -3.352 -2.167 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -0.702 -2.240 -3.520 1.00 1.00 H new ATOM 220 N THR A 17 -1.937 -2.572 -6.020 1.00 1.00 N ATOM 221 CA THR A 17 -2.463 -1.806 -7.129 1.00 1.00 C ATOM 222 C THR A 17 -3.347 -2.670 -8.014 1.00 1.00 C ATOM 223 O THR A 17 -4.400 -2.229 -8.476 1.00 1.00 O ATOM 224 CB THR A 17 -1.315 -1.224 -7.961 1.00 1.00 C ATOM 225 OG1 THR A 17 -0.527 -2.287 -8.480 1.00 1.00 O ATOM 226 CG2 THR A 17 -0.429 -0.320 -7.093 1.00 1.00 C ATOM 0 H THR A 17 -0.922 -2.677 -6.009 1.00 1.00 H new ATOM 0 HA THR A 17 -3.065 -0.993 -6.723 1.00 1.00 H new ATOM 0 HB THR A 17 -1.734 -0.634 -8.776 1.00 1.00 H new ATOM 0 HG1 THR A 17 -0.083 -2.755 -7.743 1.00 1.00 H new ATOM 0 HG21 THR A 17 0.381 0.085 -7.699 1.00 1.00 H new ATOM 0 HG22 THR A 17 -1.027 0.499 -6.692 1.00 1.00 H new ATOM 0 HG23 THR A 17 -0.012 -0.901 -6.271 1.00 1.00 H new ATOM 234 N GLU A 18 -2.926 -3.908 -8.241 1.00 1.00 N ATOM 235 CA GLU A 18 -3.712 -4.806 -9.076 1.00 1.00 C ATOM 236 C GLU A 18 -5.066 -5.081 -8.416 1.00 1.00 C ATOM 237 O GLU A 18 -6.100 -5.131 -9.088 1.00 1.00 O ATOM 238 CB GLU A 18 -2.922 -6.120 -9.333 1.00 1.00 C ATOM 239 CG GLU A 18 -3.433 -7.266 -8.446 1.00 1.00 C ATOM 240 CD GLU A 18 -2.566 -8.512 -8.602 1.00 1.00 C ATOM 241 OE1 GLU A 18 -1.714 -8.514 -9.473 1.00 1.00 O ATOM 242 OE2 GLU A 18 -2.770 -9.449 -7.845 1.00 1.00 O ATOM 0 H GLU A 18 -2.064 -4.306 -7.868 1.00 1.00 H new ATOM 0 HA GLU A 18 -3.900 -4.336 -10.041 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -3.013 -6.402 -10.382 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -1.863 -5.953 -9.139 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -3.435 -6.949 -7.403 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -4.464 -7.502 -8.710 1.00 1.00 H new ATOM 249 N GLU A 19 -5.050 -5.279 -7.100 1.00 1.00 N ATOM 250 CA GLU A 19 -6.273 -5.563 -6.371 1.00 1.00 C ATOM 251 C GLU A 19 -7.186 -4.346 -6.368 1.00 1.00 C ATOM 252 O GLU A 19 -8.399 -4.463 -6.536 1.00 1.00 O ATOM 253 CB GLU A 19 -5.930 -5.964 -4.933 1.00 1.00 C ATOM 254 CG GLU A 19 -5.357 -7.389 -4.899 1.00 1.00 C ATOM 255 CD GLU A 19 -6.427 -8.401 -5.295 1.00 1.00 C ATOM 256 OE1 GLU A 19 -7.509 -8.334 -4.740 1.00 1.00 O ATOM 257 OE2 GLU A 19 -6.149 -9.228 -6.148 1.00 1.00 O ATOM 0 H GLU A 19 -4.208 -5.247 -6.525 1.00 1.00 H new ATOM 0 HA GLU A 19 -6.795 -6.384 -6.862 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -5.206 -5.264 -4.516 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -6.823 -5.909 -4.310 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.508 -7.463 -5.579 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -4.986 -7.615 -3.899 1.00 1.00 H new ATOM 264 N ASP A 20 -6.598 -3.177 -6.183 1.00 1.00 N ATOM 265 CA ASP A 20 -7.373 -1.950 -6.165 1.00 1.00 C ATOM 266 C ASP A 20 -8.115 -1.787 -7.484 1.00 1.00 C ATOM 267 O ASP A 20 -9.282 -1.397 -7.508 1.00 1.00 O ATOM 268 CB ASP A 20 -6.447 -0.756 -5.940 1.00 1.00 C ATOM 269 CG ASP A 20 -7.266 0.479 -5.578 1.00 1.00 C ATOM 270 OD1 ASP A 20 -7.931 0.444 -4.556 1.00 1.00 O ATOM 271 OD2 ASP A 20 -7.217 1.439 -6.329 1.00 1.00 O ATOM 0 H ASP A 20 -5.595 -3.052 -6.044 1.00 1.00 H new ATOM 0 HA ASP A 20 -8.098 -1.998 -5.352 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -5.739 -0.980 -5.142 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.863 -0.564 -6.840 1.00 1.00 H new ATOM 276 N LYS A 21 -7.435 -2.106 -8.581 1.00 1.00 N ATOM 277 CA LYS A 21 -8.052 -2.010 -9.897 1.00 1.00 C ATOM 278 C LYS A 21 -9.179 -3.024 -10.010 1.00 1.00 C ATOM 279 O LYS A 21 -10.230 -2.739 -10.590 1.00 1.00 O ATOM 280 CB LYS A 21 -7.015 -2.270 -10.980 1.00 1.00 C ATOM 281 CG LYS A 21 -5.997 -1.122 -11.000 1.00 1.00 C ATOM 282 CD LYS A 21 -4.861 -1.432 -12.010 1.00 1.00 C ATOM 283 CE LYS A 21 -3.493 -1.242 -11.350 1.00 1.00 C ATOM 284 NZ LYS A 21 -2.429 -1.265 -12.390 1.00 1.00 N ATOM 0 H LYS A 21 -6.468 -2.430 -8.585 1.00 1.00 H new ATOM 0 HA LYS A 21 -8.456 -1.006 -10.027 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -6.508 -3.217 -10.793 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -7.502 -2.356 -11.952 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -6.493 -0.191 -11.274 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -5.579 -0.979 -10.004 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -4.958 -2.455 -12.373 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -4.948 -0.777 -12.877 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -3.467 -0.296 -10.810 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -3.318 -2.031 -10.619 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -1.501 -1.136 -11.940 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -2.449 -2.178 -12.887 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -2.593 -0.497 -13.072 1.00 1.00 H new ATOM 298 N ALA A 22 -8.947 -4.214 -9.470 1.00 1.00 N ATOM 299 CA ALA A 22 -9.948 -5.269 -9.524 1.00 1.00 C ATOM 300 C ALA A 22 -11.090 -4.975 -8.562 1.00 1.00 C ATOM 301 O ALA A 22 -11.980 -5.802 -8.380 1.00 1.00 O ATOM 302 CB ALA A 22 -9.320 -6.617 -9.173 1.00 1.00 C ATOM 0 H ALA A 22 -8.082 -4.470 -8.994 1.00 1.00 H new ATOM 0 HA ALA A 22 -10.342 -5.310 -10.540 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -10.081 -7.396 -9.218 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -8.526 -6.845 -9.884 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -8.904 -6.574 -8.166 1.00 1.00 H new ATOM 308 N LYS A 23 -11.040 -3.791 -7.955 1.00 1.00 N ATOM 309 CA LYS A 23 -12.060 -3.361 -7.004 1.00 1.00 C ATOM 310 C LYS A 23 -11.970 -4.158 -5.711 1.00 1.00 C ATOM 311 O LYS A 23 -12.960 -4.321 -4.994 1.00 1.00 O ATOM 312 CB LYS A 23 -13.470 -3.529 -7.605 1.00 1.00 C ATOM 313 CG LYS A 23 -13.520 -2.875 -8.988 1.00 1.00 C ATOM 314 CD LYS A 23 -13.280 -1.369 -8.858 1.00 1.00 C ATOM 315 CE LYS A 23 -13.750 -0.661 -10.120 1.00 1.00 C ATOM 316 NZ LYS A 23 -13.540 0.804 -9.976 1.00 1.00 N ATOM 0 H LYS A 23 -10.297 -3.109 -8.107 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.882 -2.308 -6.786 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -13.719 -4.587 -7.683 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -14.212 -3.074 -6.949 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -12.765 -3.318 -9.637 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -14.488 -3.059 -9.453 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -13.814 -0.980 -7.991 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -12.220 -1.173 -8.693 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -13.201 -1.034 -10.985 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -14.805 -0.872 -10.296 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -14.300 1.314 -10.470 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -13.551 1.059 -8.968 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -12.622 1.065 -10.389 1.00 1.00 H new ATOM 330 N ASN A 24 -10.770 -4.648 -5.411 1.00 1.00 N ATOM 331 CA ASN A 24 -10.540 -5.422 -4.191 1.00 1.00 C ATOM 332 C ASN A 24 -9.983 -4.520 -3.091 1.00 1.00 C ATOM 333 O ASN A 24 -8.829 -4.637 -2.709 1.00 1.00 O ATOM 334 CB ASN A 24 -9.578 -6.586 -4.490 1.00 1.00 C ATOM 335 CG ASN A 24 -10.320 -7.913 -4.603 1.00 1.00 C ATOM 336 OD1 ASN A 24 -11.460 -7.953 -5.074 1.00 1.00 O ATOM 337 ND2 ASN A 24 -9.746 -9.001 -4.183 1.00 1.00 N ATOM 0 H ASN A 24 -9.942 -4.524 -5.994 1.00 1.00 H new ATOM 0 HA ASN A 24 -11.486 -5.835 -3.841 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -9.043 -6.387 -5.419 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -8.830 -6.653 -3.700 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -10.238 -9.893 -4.242 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -8.804 -8.963 -3.794 1.00 1.00 H new ATOM 344 N TYR A 25 -10.800 -3.617 -2.591 1.00 1.00 N ATOM 345 CA TYR A 25 -10.360 -2.702 -1.544 1.00 1.00 C ATOM 346 C TYR A 25 -9.847 -3.477 -0.337 1.00 1.00 C ATOM 347 O TYR A 25 -8.842 -3.097 0.264 1.00 1.00 O ATOM 348 CB TYR A 25 -11.530 -1.819 -1.116 1.00 1.00 C ATOM 349 CG TYR A 25 -12.320 -1.388 -2.337 1.00 1.00 C ATOM 350 CD1 TYR A 25 -11.660 -0.985 -3.508 1.00 1.00 C ATOM 351 CD2 TYR A 25 -13.730 -1.400 -2.299 1.00 1.00 C ATOM 352 CE1 TYR A 25 -12.400 -0.595 -4.631 1.00 1.00 C ATOM 353 CE2 TYR A 25 -14.460 -1.013 -3.427 1.00 1.00 C ATOM 354 CZ TYR A 25 -13.800 -0.610 -4.593 1.00 1.00 C ATOM 355 OH TYR A 25 -14.520 -0.228 -5.704 1.00 1.00 O ATOM 0 H TYR A 25 -11.768 -3.492 -2.887 1.00 1.00 H new ATOM 0 HA TYR A 25 -9.551 -2.085 -1.936 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -12.176 -2.363 -0.427 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -11.161 -0.943 -0.582 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -10.581 -0.976 -3.543 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -14.245 -1.707 -1.401 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.889 -0.282 -5.530 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -15.540 -1.025 -3.398 1.00 1.00 H new ATOM 0 HH TYR A 25 -15.479 -0.297 -5.512 1.00 1.00 H new ATOM 365 N GLU A 26 -10.530 -4.556 0.022 1.00 1.00 N ATOM 366 CA GLU A 26 -10.110 -5.350 1.169 1.00 1.00 C ATOM 367 C GLU A 26 -8.713 -5.928 0.947 1.00 1.00 C ATOM 368 O GLU A 26 -7.804 -5.740 1.768 1.00 1.00 O ATOM 369 CB GLU A 26 -11.120 -6.496 1.385 1.00 1.00 C ATOM 370 CG GLU A 26 -12.160 -6.094 2.432 1.00 1.00 C ATOM 371 CD GLU A 26 -13.180 -7.211 2.606 1.00 1.00 C ATOM 372 OE1 GLU A 26 -13.030 -8.233 1.955 1.00 1.00 O ATOM 373 OE2 GLU A 26 -14.100 -7.029 3.386 1.00 1.00 O ATOM 0 H GLU A 26 -11.364 -4.898 -0.455 1.00 1.00 H new ATOM 0 HA GLU A 26 -10.078 -4.709 2.050 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -11.615 -6.736 0.444 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -10.596 -7.396 1.709 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -11.670 -5.886 3.383 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -12.662 -5.176 2.125 1.00 1.00 H new ATOM 380 N GLU A 27 -8.538 -6.622 -0.166 1.00 1.00 N ATOM 381 CA GLU A 27 -7.244 -7.213 -0.460 1.00 1.00 C ATOM 382 C GLU A 27 -6.205 -6.117 -0.675 1.00 1.00 C ATOM 383 O GLU A 27 -5.149 -6.118 -0.060 1.00 1.00 O ATOM 384 CB GLU A 27 -7.337 -8.098 -1.724 1.00 1.00 C ATOM 385 CG GLU A 27 -6.421 -9.324 -1.592 1.00 1.00 C ATOM 386 CD GLU A 27 -7.078 -10.380 -0.716 1.00 1.00 C ATOM 387 OE1 GLU A 27 -8.212 -10.180 -0.311 1.00 1.00 O ATOM 388 OE2 GLU A 27 -6.441 -11.390 -0.467 1.00 1.00 O ATOM 0 H GLU A 27 -9.260 -6.788 -0.868 1.00 1.00 H new ATOM 0 HA GLU A 27 -6.942 -7.831 0.386 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -8.367 -8.421 -1.874 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -7.054 -7.518 -2.603 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -6.212 -9.738 -2.578 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -5.465 -9.028 -1.161 1.00 1.00 H new ATOM 395 N ALA A 28 -6.542 -5.161 -1.525 1.00 1.00 N ATOM 396 CA ALA A 28 -5.641 -4.056 -1.813 1.00 1.00 C ATOM 397 C ALA A 28 -5.141 -3.437 -0.519 1.00 1.00 C ATOM 398 O ALA A 28 -3.953 -3.148 -0.382 1.00 1.00 O ATOM 399 CB ALA A 28 -6.350 -3.002 -2.664 1.00 1.00 C ATOM 0 H ALA A 28 -7.430 -5.127 -2.026 1.00 1.00 H new ATOM 0 HA ALA A 28 -4.787 -4.438 -2.372 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -5.664 -2.181 -2.872 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -6.674 -3.451 -3.603 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -7.218 -2.622 -2.124 1.00 1.00 H new ATOM 405 N LEU A 29 -6.043 -3.244 0.433 1.00 1.00 N ATOM 406 CA LEU A 29 -5.671 -2.663 1.709 1.00 1.00 C ATOM 407 C LEU A 29 -4.633 -3.522 2.400 1.00 1.00 C ATOM 408 O LEU A 29 -3.658 -3.009 2.953 1.00 1.00 O ATOM 409 CB LEU A 29 -6.907 -2.575 2.604 1.00 1.00 C ATOM 410 CG LEU A 29 -6.578 -1.774 3.882 1.00 1.00 C ATOM 411 CD1 LEU A 29 -6.696 -0.273 3.616 1.00 1.00 C ATOM 412 CD2 LEU A 29 -7.526 -2.173 5.014 1.00 1.00 C ATOM 0 H LEU A 29 -7.031 -3.481 0.344 1.00 1.00 H new ATOM 0 HA LEU A 29 -5.257 -1.670 1.532 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -7.723 -2.095 2.064 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.246 -3.576 2.870 1.00 1.00 H new ATOM 0 HG LEU A 29 -5.553 -2.001 4.177 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -6.461 0.278 4.527 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -5.998 0.013 2.829 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -7.713 -0.038 3.302 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -7.284 -1.601 5.910 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -8.554 -1.965 4.718 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -7.416 -3.237 5.222 1.00 1.00 H new ATOM 424 N ARG A 30 -4.834 -4.827 2.365 1.00 1.00 N ATOM 425 CA ARG A 30 -3.879 -5.719 3.004 1.00 1.00 C ATOM 426 C ARG A 30 -2.488 -5.530 2.409 1.00 1.00 C ATOM 427 O ARG A 30 -1.500 -5.435 3.140 1.00 1.00 O ATOM 428 CB ARG A 30 -4.324 -7.168 2.824 1.00 1.00 C ATOM 429 CG ARG A 30 -5.540 -7.438 3.704 1.00 1.00 C ATOM 430 CD ARG A 30 -6.023 -8.870 3.480 1.00 1.00 C ATOM 431 NE ARG A 30 -7.177 -9.147 4.327 1.00 1.00 N ATOM 432 CZ ARG A 30 -7.618 -10.380 4.504 1.00 1.00 C ATOM 433 NH1 ARG A 30 -7.020 -11.380 3.912 1.00 1.00 N ATOM 434 NH2 ARG A 30 -8.651 -10.600 5.270 1.00 1.00 N ATOM 0 H ARG A 30 -5.626 -5.285 1.915 1.00 1.00 H new ATOM 0 HA ARG A 30 -3.839 -5.481 4.067 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -4.569 -7.358 1.779 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -3.512 -7.845 3.089 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -5.283 -7.289 4.753 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -6.337 -6.733 3.468 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -6.288 -9.013 2.432 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -5.220 -9.572 3.704 1.00 1.00 H new ATOM 0 HE ARG A 30 -7.653 -8.374 4.792 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -6.212 -11.209 3.313 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -7.361 -12.332 4.049 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -9.118 -9.820 5.732 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -8.991 -11.552 5.406 1.00 1.00 H new ATOM 448 N LEU A 31 -2.403 -5.477 1.088 1.00 1.00 N ATOM 449 CA LEU A 31 -1.127 -5.300 0.439 1.00 1.00 C ATOM 450 C LEU A 31 -0.528 -3.930 0.739 1.00 1.00 C ATOM 451 O LEU A 31 0.684 -3.799 0.914 1.00 1.00 O ATOM 452 CB LEU A 31 -1.301 -5.444 -1.059 1.00 1.00 C ATOM 453 CG LEU A 31 -1.609 -6.887 -1.479 1.00 1.00 C ATOM 454 CD1 LEU A 31 -0.634 -7.894 -0.879 1.00 1.00 C ATOM 455 CD2 LEU A 31 -3.032 -7.274 -1.141 1.00 1.00 C ATOM 0 H LEU A 31 -3.199 -5.554 0.455 1.00 1.00 H new ATOM 0 HA LEU A 31 -0.448 -6.062 0.822 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -2.109 -4.792 -1.392 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -0.393 -5.109 -1.561 1.00 1.00 H new ATOM 0 HG LEU A 31 -1.487 -6.917 -2.562 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -0.899 -8.898 -1.209 1.00 1.00 H new ATOM 0 HD12 LEU A 31 0.379 -7.660 -1.207 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -0.684 -7.845 0.209 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -3.213 -8.302 -1.453 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -3.187 -7.189 -0.065 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -3.723 -6.610 -1.661 1.00 1.00 H new ATOM 467 N TYR A 32 -1.361 -2.903 0.771 1.00 1.00 N ATOM 468 CA TYR A 32 -0.849 -1.570 1.028 1.00 1.00 C ATOM 469 C TYR A 32 -0.175 -1.510 2.394 1.00 1.00 C ATOM 470 O TYR A 32 0.957 -1.035 2.522 1.00 1.00 O ATOM 471 CB TYR A 32 -2.003 -0.556 0.969 1.00 1.00 C ATOM 472 CG TYR A 32 -2.291 -0.171 -0.469 1.00 1.00 C ATOM 473 CD1 TYR A 32 -1.291 0.434 -1.245 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.552 -0.420 -1.028 1.00 1.00 C ATOM 475 CE1 TYR A 32 -1.551 0.786 -2.571 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.808 -0.067 -2.358 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.808 0.534 -3.127 1.00 1.00 C ATOM 478 OH TYR A 32 -3.061 0.878 -4.434 1.00 1.00 O ATOM 0 H TYR A 32 -2.369 -2.963 0.626 1.00 1.00 H new ATOM 0 HA TYR A 32 -0.109 -1.324 0.266 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.896 -0.984 1.424 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.746 0.332 1.546 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -0.319 0.628 -0.816 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -4.325 -0.884 -0.433 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.781 1.253 -3.167 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.779 -0.259 -2.790 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.982 0.634 -4.664 1.00 1.00 H new ATOM 488 N GLN A 33 -0.875 -1.987 3.410 1.00 1.00 N ATOM 489 CA GLN A 33 -0.338 -1.971 4.758 1.00 1.00 C ATOM 490 C GLN A 33 0.915 -2.840 4.846 1.00 1.00 C ATOM 491 O GLN A 33 1.908 -2.463 5.478 1.00 1.00 O ATOM 492 CB GLN A 33 -1.402 -2.488 5.732 1.00 1.00 C ATOM 493 CG GLN A 33 -2.621 -1.553 5.723 1.00 1.00 C ATOM 494 CD GLN A 33 -3.630 -2.000 6.775 1.00 1.00 C ATOM 495 OE1 GLN A 33 -3.384 -2.959 7.507 1.00 1.00 O ATOM 496 NE2 GLN A 33 -4.755 -1.352 6.898 1.00 1.00 N ATOM 0 H GLN A 33 -1.810 -2.387 3.327 1.00 1.00 H new ATOM 0 HA GLN A 33 -0.066 -0.949 5.021 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -1.705 -3.497 5.451 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -0.987 -2.549 6.738 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -2.305 -0.529 5.922 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -3.086 -1.557 4.737 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -4.955 -0.558 6.290 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -5.435 -1.639 7.602 1.00 1.00 H new ATOM 505 N HIS A 34 0.869 -3.995 4.196 1.00 1.00 N ATOM 506 CA HIS A 34 2.008 -4.902 4.199 1.00 1.00 C ATOM 507 C HIS A 34 3.208 -4.269 3.497 1.00 1.00 C ATOM 508 O HIS A 34 4.310 -4.221 4.042 1.00 1.00 O ATOM 509 CB HIS A 34 1.619 -6.210 3.493 1.00 1.00 C ATOM 510 CG HIS A 34 0.827 -7.076 4.431 1.00 1.00 C ATOM 511 ND1 HIS A 34 -0.469 -7.484 4.158 1.00 1.00 N ATOM 512 CD2 HIS A 34 1.146 -7.622 5.645 1.00 1.00 C ATOM 513 CE1 HIS A 34 -0.879 -8.242 5.191 1.00 1.00 C ATOM 514 NE2 HIS A 34 0.068 -8.358 6.127 1.00 1.00 N ATOM 0 H HIS A 34 0.063 -4.324 3.664 1.00 1.00 H new ATOM 0 HA HIS A 34 2.288 -5.110 5.232 1.00 1.00 H new ATOM 0 HB2 HIS A 34 1.032 -5.992 2.601 1.00 1.00 H new ATOM 0 HB3 HIS A 34 2.515 -6.737 3.164 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -1.012 -7.252 3.326 1.00 1.00 H new ATOM 0 HD2 HIS A 34 2.092 -7.500 6.152 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -1.855 -8.701 5.256 1.00 1.00 H new ATOM 523 N ALA A 35 2.982 -3.780 2.289 1.00 1.00 N ATOM 524 CA ALA A 35 4.048 -3.156 1.521 1.00 1.00 C ATOM 525 C ALA A 35 4.746 -2.081 2.346 1.00 1.00 C ATOM 526 O ALA A 35 5.973 -2.055 2.438 1.00 1.00 O ATOM 527 CB ALA A 35 3.469 -2.523 0.246 1.00 1.00 C ATOM 0 H ALA A 35 2.076 -3.802 1.821 1.00 1.00 H new ATOM 0 HA ALA A 35 4.775 -3.923 1.254 1.00 1.00 H new ATOM 0 HB1 ALA A 35 4.272 -2.057 -0.326 1.00 1.00 H new ATOM 0 HB2 ALA A 35 2.993 -3.294 -0.359 1.00 1.00 H new ATOM 0 HB3 ALA A 35 2.731 -1.768 0.517 1.00 1.00 H new ATOM 533 N VAL A 36 3.954 -1.196 2.934 1.00 1.00 N ATOM 534 CA VAL A 36 4.509 -0.110 3.730 1.00 1.00 C ATOM 535 C VAL A 36 5.371 -0.662 4.857 1.00 1.00 C ATOM 536 O VAL A 36 6.465 -0.159 5.117 1.00 1.00 O ATOM 537 CB VAL A 36 3.384 0.766 4.304 1.00 1.00 C ATOM 538 CG1 VAL A 36 3.983 1.736 5.335 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.695 1.551 3.159 1.00 1.00 C ATOM 0 H VAL A 36 2.936 -1.207 2.877 1.00 1.00 H new ATOM 0 HA VAL A 36 5.134 0.505 3.082 1.00 1.00 H new ATOM 0 HB VAL A 36 2.637 0.140 4.791 1.00 1.00 H new ATOM 0 HG11 VAL A 36 3.192 2.362 5.748 1.00 1.00 H new ATOM 0 HG12 VAL A 36 4.453 1.169 6.138 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.729 2.366 4.851 1.00 1.00 H new ATOM 0 HG21 VAL A 36 1.898 2.171 3.571 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.428 2.186 2.661 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.274 0.849 2.439 1.00 1.00 H new ATOM 549 N GLU A 37 4.877 -1.691 5.520 1.00 1.00 N ATOM 550 CA GLU A 37 5.622 -2.293 6.619 1.00 1.00 C ATOM 551 C GLU A 37 7.026 -2.688 6.168 1.00 1.00 C ATOM 552 O GLU A 37 8.018 -2.360 6.822 1.00 1.00 O ATOM 553 CB GLU A 37 4.891 -3.542 7.094 1.00 1.00 C ATOM 554 CG GLU A 37 5.465 -3.989 8.440 1.00 1.00 C ATOM 555 CD GLU A 37 4.694 -5.194 8.968 1.00 1.00 C ATOM 556 OE1 GLU A 37 3.943 -5.774 8.201 1.00 1.00 O ATOM 557 OE2 GLU A 37 4.866 -5.518 10.132 1.00 1.00 O ATOM 0 H GLU A 37 3.975 -2.126 5.323 1.00 1.00 H new ATOM 0 HA GLU A 37 5.700 -1.564 7.426 1.00 1.00 H new ATOM 0 HB2 GLU A 37 3.825 -3.337 7.191 1.00 1.00 H new ATOM 0 HB3 GLU A 37 4.997 -4.340 6.359 1.00 1.00 H new ATOM 0 HG2 GLU A 37 6.519 -4.243 8.328 1.00 1.00 H new ATOM 0 HG3 GLU A 37 5.410 -3.170 9.157 1.00 1.00 H new ATOM 564 N TYR A 38 7.102 -3.397 5.050 1.00 1.00 N ATOM 565 CA TYR A 38 8.396 -3.836 4.530 1.00 1.00 C ATOM 566 C TYR A 38 9.266 -2.641 4.138 1.00 1.00 C ATOM 567 O TYR A 38 10.481 -2.656 4.336 1.00 1.00 O ATOM 568 CB TYR A 38 8.207 -4.750 3.312 1.00 1.00 C ATOM 569 CG TYR A 38 7.875 -6.156 3.760 1.00 1.00 C ATOM 570 CD1 TYR A 38 6.692 -6.403 4.456 1.00 1.00 C ATOM 571 CD2 TYR A 38 8.755 -7.210 3.480 1.00 1.00 C ATOM 572 CE1 TYR A 38 6.380 -7.699 4.874 1.00 1.00 C ATOM 573 CE2 TYR A 38 8.446 -8.508 3.898 1.00 1.00 C ATOM 574 CZ TYR A 38 7.258 -8.752 4.594 1.00 1.00 C ATOM 575 OH TYR A 38 6.953 -10.020 5.013 1.00 1.00 O ATOM 0 H TYR A 38 6.297 -3.679 4.490 1.00 1.00 H new ATOM 0 HA TYR A 38 8.898 -4.391 5.323 1.00 1.00 H new ATOM 0 HB2 TYR A 38 7.408 -4.364 2.679 1.00 1.00 H new ATOM 0 HB3 TYR A 38 9.115 -4.758 2.709 1.00 1.00 H new ATOM 0 HD1 TYR A 38 6.015 -5.590 4.673 1.00 1.00 H new ATOM 0 HD2 TYR A 38 9.672 -7.020 2.941 1.00 1.00 H new ATOM 0 HE1 TYR A 38 5.463 -7.888 5.412 1.00 1.00 H new ATOM 0 HE2 TYR A 38 9.124 -9.321 3.684 1.00 1.00 H new ATOM 0 HH TYR A 38 7.664 -10.635 4.738 1.00 1.00 H new ATOM 585 N PHE A 39 8.639 -1.617 3.578 1.00 1.00 N ATOM 586 CA PHE A 39 9.373 -0.427 3.157 1.00 1.00 C ATOM 587 C PHE A 39 10.049 0.246 4.359 1.00 1.00 C ATOM 588 O PHE A 39 11.243 0.568 4.321 1.00 1.00 O ATOM 589 CB PHE A 39 8.382 0.560 2.502 1.00 1.00 C ATOM 590 CG PHE A 39 8.238 0.269 1.018 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.352 0.368 0.181 1.00 1.00 C ATOM 592 CD2 PHE A 39 6.996 -0.105 0.482 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.229 0.091 -1.184 1.00 1.00 C ATOM 594 CE2 PHE A 39 6.875 -0.380 -0.885 1.00 1.00 C ATOM 595 CZ PHE A 39 7.993 -0.284 -1.717 1.00 1.00 C ATOM 0 H PHE A 39 7.634 -1.583 3.405 1.00 1.00 H new ATOM 0 HA PHE A 39 10.147 -0.716 2.445 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.410 0.484 2.989 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.731 1.583 2.645 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.309 0.659 0.589 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.132 -0.181 1.126 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.092 0.167 -1.829 1.00 1.00 H new ATOM 0 HE2 PHE A 39 5.918 -0.666 -1.296 1.00 1.00 H new ATOM 0 HZ PHE A 39 7.902 -0.499 -2.771 1.00 1.00 H new ATOM 605 N LEU A 40 9.275 0.453 5.419 1.00 1.00 N ATOM 606 CA LEU A 40 9.787 1.090 6.623 1.00 1.00 C ATOM 607 C LEU A 40 10.888 0.236 7.228 1.00 1.00 C ATOM 608 O LEU A 40 11.903 0.741 7.705 1.00 1.00 O ATOM 609 CB LEU A 40 8.653 1.266 7.634 1.00 1.00 C ATOM 610 CG LEU A 40 7.606 2.249 7.081 1.00 1.00 C ATOM 611 CD1 LEU A 40 6.347 2.177 7.948 1.00 1.00 C ATOM 612 CD2 LEU A 40 8.152 3.690 7.083 1.00 1.00 C ATOM 0 H LEU A 40 8.291 0.188 5.467 1.00 1.00 H new ATOM 0 HA LEU A 40 10.194 2.068 6.367 1.00 1.00 H new ATOM 0 HB2 LEU A 40 8.186 0.303 7.842 1.00 1.00 H new ATOM 0 HB3 LEU A 40 9.051 1.638 8.578 1.00 1.00 H new ATOM 0 HG LEU A 40 7.371 1.973 6.053 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.600 2.871 7.563 1.00 1.00 H new ATOM 0 HD12 LEU A 40 5.947 1.163 7.925 1.00 1.00 H new ATOM 0 HD13 LEU A 40 6.596 2.445 8.975 1.00 1.00 H new ATOM 0 HD21 LEU A 40 7.394 4.367 6.688 1.00 1.00 H new ATOM 0 HD22 LEU A 40 8.404 3.982 8.102 1.00 1.00 H new ATOM 0 HD23 LEU A 40 9.045 3.742 6.460 1.00 1.00 H new ATOM 624 N HIS A 41 10.694 -1.067 7.185 1.00 1.00 N ATOM 625 CA HIS A 41 11.688 -1.979 7.721 1.00 1.00 C ATOM 626 C HIS A 41 12.976 -1.900 6.901 1.00 1.00 C ATOM 627 O HIS A 41 14.071 -2.027 7.427 1.00 1.00 O ATOM 628 CB HIS A 41 11.147 -3.411 7.700 1.00 1.00 C ATOM 629 CG HIS A 41 12.001 -4.293 8.574 1.00 1.00 C ATOM 630 ND1 HIS A 41 11.711 -4.511 9.914 1.00 1.00 N ATOM 631 CD2 HIS A 41 13.142 -5.014 8.319 1.00 1.00 C ATOM 632 CE1 HIS A 41 12.659 -5.331 10.406 1.00 1.00 C ATOM 633 NE2 HIS A 41 13.555 -5.666 9.476 1.00 1.00 N ATOM 0 H HIS A 41 9.868 -1.516 6.790 1.00 1.00 H new ATOM 0 HA HIS A 41 11.907 -1.693 8.750 1.00 1.00 H new ATOM 0 HB2 HIS A 41 10.115 -3.425 8.052 1.00 1.00 H new ATOM 0 HB3 HIS A 41 11.141 -3.792 6.679 1.00 1.00 H new ATOM 0 HD2 HIS A 41 13.643 -5.067 7.364 1.00 1.00 H new ATOM 0 HE1 HIS A 41 12.690 -5.676 11.429 1.00 1.00 H new ATOM 0 HE2 HIS A 41 14.369 -6.271 9.589 1.00 1.00 H new ATOM 642 N ALA A 42 12.846 -1.708 5.603 1.00 1.00 N ATOM 643 CA ALA A 42 14.026 -1.639 4.751 1.00 1.00 C ATOM 644 C ALA A 42 14.890 -0.428 5.077 1.00 1.00 C ATOM 645 O ALA A 42 16.096 -0.530 5.239 1.00 1.00 O ATOM 646 CB ALA A 42 13.618 -1.550 3.287 1.00 1.00 C ATOM 0 H ALA A 42 11.955 -1.598 5.118 1.00 1.00 H new ATOM 0 HA ALA A 42 14.601 -2.547 4.934 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.510 -1.499 2.663 1.00 1.00 H new ATOM 0 HB2 ALA A 42 13.036 -2.431 3.017 1.00 1.00 H new ATOM 0 HB3 ALA A 42 13.015 -0.656 3.131 1.00 1.00 H new ATOM 652 N ILE A 43 14.271 0.717 5.215 1.00 1.00 N ATOM 653 CA ILE A 43 15.036 1.912 5.534 1.00 1.00 C ATOM 654 C ILE A 43 15.676 1.815 6.921 1.00 1.00 C ATOM 655 O ILE A 43 16.780 2.316 7.132 1.00 1.00 O ATOM 656 CB ILE A 43 14.138 3.144 5.452 1.00 1.00 C ATOM 657 CG1 ILE A 43 12.845 2.871 6.213 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.806 3.446 3.994 1.00 1.00 C ATOM 659 CD1 ILE A 43 11.911 4.083 6.140 1.00 1.00 C ATOM 0 H ILE A 43 13.265 0.855 5.116 1.00 1.00 H new ATOM 0 HA ILE A 43 15.840 2.002 4.803 1.00 1.00 H new ATOM 0 HB ILE A 43 14.655 3.998 5.889 1.00 1.00 H new ATOM 0 HG12 ILE A 43 12.348 1.996 5.794 1.00 1.00 H new ATOM 0 HG13 ILE A 43 13.071 2.641 7.254 1.00 1.00 H new ATOM 0 HG21 ILE A 43 13.165 4.326 3.942 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.727 3.635 3.443 1.00 1.00 H new ATOM 0 HG23 ILE A 43 13.288 2.593 3.555 1.00 1.00 H new ATOM 0 HD11 ILE A 43 10.994 3.869 6.689 1.00 1.00 H new ATOM 0 HD12 ILE A 43 12.404 4.949 6.581 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.670 4.294 5.098 1.00 1.00 H new ATOM 671 N LYS A 44 14.988 1.161 7.863 1.00 1.00 N ATOM 672 CA LYS A 44 15.527 1.009 9.220 1.00 1.00 C ATOM 673 C LYS A 44 16.508 -0.138 9.332 1.00 1.00 C ATOM 674 O LYS A 44 17.580 -0.002 9.923 1.00 1.00 O ATOM 675 CB LYS A 44 14.414 0.729 10.214 1.00 1.00 C ATOM 676 CG LYS A 44 13.480 1.898 10.229 1.00 1.00 C ATOM 677 CD LYS A 44 12.383 1.682 11.262 1.00 1.00 C ATOM 678 CE LYS A 44 11.349 2.800 11.146 1.00 1.00 C ATOM 679 NZ LYS A 44 11.928 4.091 11.627 1.00 1.00 N ATOM 0 H LYS A 44 14.073 0.735 7.716 1.00 1.00 H new ATOM 0 HA LYS A 44 16.034 1.949 9.439 1.00 1.00 H new ATOM 0 HB2 LYS A 44 13.879 -0.179 9.936 1.00 1.00 H new ATOM 0 HB3 LYS A 44 14.828 0.563 11.209 1.00 1.00 H new ATOM 0 HG2 LYS A 44 14.031 2.810 10.459 1.00 1.00 H new ATOM 0 HG3 LYS A 44 13.038 2.032 9.242 1.00 1.00 H new ATOM 0 HD2 LYS A 44 11.907 0.714 11.106 1.00 1.00 H new ATOM 0 HD3 LYS A 44 12.810 1.669 12.265 1.00 1.00 H new ATOM 0 HE2 LYS A 44 11.027 2.901 10.110 1.00 1.00 H new ATOM 0 HE3 LYS A 44 10.464 2.549 11.732 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 11.176 4.807 11.688 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 12.351 3.953 12.567 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 12.660 4.413 10.962 1.00 1.00 H new ATOM 693 N TYR A 45 16.113 -1.286 8.791 1.00 1.00 N ATOM 694 CA TYR A 45 16.952 -2.481 8.878 1.00 1.00 C ATOM 695 C TYR A 45 17.904 -2.597 7.692 1.00 1.00 C ATOM 696 O TYR A 45 18.884 -3.344 7.752 1.00 1.00 O ATOM 697 CB TYR A 45 16.098 -3.750 8.961 1.00 1.00 C ATOM 698 CG TYR A 45 15.330 -3.758 10.262 1.00 1.00 C ATOM 699 CD1 TYR A 45 14.245 -2.902 10.420 1.00 1.00 C ATOM 700 CD2 TYR A 45 15.710 -4.604 11.312 1.00 1.00 C ATOM 701 CE1 TYR A 45 13.528 -2.875 11.613 1.00 1.00 C ATOM 702 CE2 TYR A 45 14.995 -4.583 12.518 1.00 1.00 C ATOM 703 CZ TYR A 45 13.903 -3.716 12.668 1.00 1.00 C ATOM 704 OH TYR A 45 13.194 -3.696 13.852 1.00 1.00 O ATOM 0 H TYR A 45 15.232 -1.416 8.295 1.00 1.00 H new ATOM 0 HA TYR A 45 17.542 -2.379 9.789 1.00 1.00 H new ATOM 0 HB2 TYR A 45 15.407 -3.792 8.119 1.00 1.00 H new ATOM 0 HB3 TYR A 45 16.733 -4.633 8.896 1.00 1.00 H new ATOM 0 HD1 TYR A 45 13.956 -2.251 9.608 1.00 1.00 H new ATOM 0 HD2 TYR A 45 16.551 -5.271 11.193 1.00 1.00 H new ATOM 0 HE1 TYR A 45 12.686 -2.208 11.724 1.00 1.00 H new ATOM 0 HE2 TYR A 45 15.285 -5.233 13.330 1.00 1.00 H new ATOM 0 HH TYR A 45 13.585 -4.340 14.478 1.00 1.00 H new ATOM 714 N GLU A 46 17.621 -1.854 6.612 1.00 1.00 N ATOM 715 CA GLU A 46 18.484 -1.881 5.420 1.00 1.00 C ATOM 716 C GLU A 46 18.980 -0.472 5.129 1.00 1.00 C ATOM 717 O GLU A 46 18.226 0.498 5.212 1.00 1.00 O ATOM 718 CB GLU A 46 17.738 -2.449 4.200 1.00 1.00 C ATOM 719 CG GLU A 46 17.196 -3.826 4.551 1.00 1.00 C ATOM 720 CD GLU A 46 16.433 -4.400 3.366 1.00 1.00 C ATOM 721 OE1 GLU A 46 16.303 -3.698 2.378 1.00 1.00 O ATOM 722 OE2 GLU A 46 15.997 -5.535 3.461 1.00 1.00 O ATOM 0 H GLU A 46 16.814 -1.235 6.538 1.00 1.00 H new ATOM 0 HA GLU A 46 19.333 -2.536 5.618 1.00 1.00 H new ATOM 0 HB2 GLU A 46 16.923 -1.785 3.914 1.00 1.00 H new ATOM 0 HB3 GLU A 46 18.410 -2.515 3.344 1.00 1.00 H new ATOM 0 HG2 GLU A 46 18.016 -4.491 4.823 1.00 1.00 H new ATOM 0 HG3 GLU A 46 16.540 -3.758 5.419 1.00 1.00 H new ATOM 729 N ALA A 47 20.259 -0.368 4.803 1.00 1.00 N ATOM 730 CA ALA A 47 20.876 0.926 4.520 1.00 1.00 C ATOM 731 C ALA A 47 20.666 1.311 3.066 1.00 1.00 C ATOM 732 O ALA A 47 20.672 0.456 2.181 1.00 1.00 O ATOM 733 CB ALA A 47 22.377 0.874 4.821 1.00 1.00 C ATOM 0 H ALA A 47 20.894 -1.163 4.727 1.00 1.00 H new ATOM 0 HA ALA A 47 20.405 1.674 5.157 1.00 1.00 H new ATOM 0 HB1 ALA A 47 22.825 1.844 4.606 1.00 1.00 H new ATOM 0 HB2 ALA A 47 22.529 0.629 5.872 1.00 1.00 H new ATOM 0 HB3 ALA A 47 22.847 0.112 4.199 1.00 1.00 H new ATOM 739 N HIS A 48 20.484 2.602 2.829 1.00 1.00 N ATOM 740 CA HIS A 48 20.271 3.099 1.477 1.00 1.00 C ATOM 741 C HIS A 48 20.575 4.593 1.399 1.00 1.00 C ATOM 742 O HIS A 48 20.541 5.298 2.408 1.00 1.00 O ATOM 743 CB HIS A 48 18.827 2.834 1.050 1.00 1.00 C ATOM 744 CG HIS A 48 18.620 1.360 0.840 1.00 1.00 C ATOM 745 ND1 HIS A 48 19.162 0.692 -0.246 1.00 1.00 N ATOM 746 CD2 HIS A 48 17.938 0.406 1.564 1.00 1.00 C ATOM 747 CE1 HIS A 48 18.805 -0.601 -0.149 1.00 1.00 C ATOM 748 NE2 HIS A 48 18.057 -0.829 0.935 1.00 1.00 N ATOM 0 H HIS A 48 20.479 3.322 3.552 1.00 1.00 H new ATOM 0 HA HIS A 48 20.947 2.575 0.802 1.00 1.00 H new ATOM 0 HB2 HIS A 48 18.140 3.202 1.812 1.00 1.00 H new ATOM 0 HB3 HIS A 48 18.605 3.376 0.131 1.00 1.00 H new ATOM 0 HD2 HIS A 48 17.395 0.589 2.479 1.00 1.00 H new ATOM 0 HE1 HIS A 48 19.088 -1.363 -0.860 1.00 1.00 H new ATOM 0 HE2 HIS A 48 17.659 -1.718 1.236 1.00 1.00 H new ATOM 757 N SER A 49 20.885 5.073 0.201 1.00 1.00 N ATOM 758 CA SER A 49 21.209 6.480 0.016 1.00 1.00 C ATOM 759 C SER A 49 20.053 7.358 0.478 1.00 1.00 C ATOM 760 O SER A 49 18.904 6.920 0.520 1.00 1.00 O ATOM 761 CB SER A 49 21.489 6.753 -1.462 1.00 1.00 C ATOM 762 OG SER A 49 22.337 5.733 -1.974 1.00 1.00 O ATOM 0 H SER A 49 20.919 4.513 -0.651 1.00 1.00 H new ATOM 0 HA SER A 49 22.093 6.714 0.610 1.00 1.00 H new ATOM 0 HB2 SER A 49 20.554 6.781 -2.022 1.00 1.00 H new ATOM 0 HB3 SER A 49 21.961 7.728 -1.581 1.00 1.00 H new ATOM 0 HG SER A 49 22.518 5.903 -2.922 1.00 1.00 H new ATOM 768 N ASP A 50 20.370 8.597 0.833 1.00 1.00 N ATOM 769 CA ASP A 50 19.353 9.528 1.305 1.00 1.00 C ATOM 770 C ASP A 50 18.256 9.701 0.255 1.00 1.00 C ATOM 771 O ASP A 50 17.099 9.941 0.591 1.00 1.00 O ATOM 772 CB ASP A 50 19.991 10.886 1.615 1.00 1.00 C ATOM 773 CG ASP A 50 20.812 10.802 2.899 1.00 1.00 C ATOM 774 OD1 ASP A 50 20.671 9.820 3.607 1.00 1.00 O ATOM 775 OD2 ASP A 50 21.568 11.725 3.156 1.00 1.00 O ATOM 0 H ASP A 50 21.316 8.978 0.804 1.00 1.00 H new ATOM 0 HA ASP A 50 18.907 9.123 2.213 1.00 1.00 H new ATOM 0 HB2 ASP A 50 20.629 11.194 0.786 1.00 1.00 H new ATOM 0 HB3 ASP A 50 19.216 11.645 1.720 1.00 1.00 H new ATOM 780 N LYS A 51 18.633 9.561 -1.011 1.00 1.00 N ATOM 781 CA LYS A 51 17.684 9.681 -2.117 1.00 1.00 C ATOM 782 C LYS A 51 16.700 8.508 -2.090 1.00 1.00 C ATOM 783 O LYS A 51 15.488 8.664 -2.295 1.00 1.00 O ATOM 784 CB LYS A 51 18.448 9.677 -3.441 1.00 1.00 C ATOM 785 CG LYS A 51 19.458 10.827 -3.446 1.00 1.00 C ATOM 786 CD LYS A 51 20.313 10.752 -4.711 1.00 1.00 C ATOM 787 CE LYS A 51 21.411 11.813 -4.649 1.00 1.00 C ATOM 788 NZ LYS A 51 22.326 11.521 -3.509 1.00 1.00 N ATOM 0 H LYS A 51 19.591 9.364 -1.300 1.00 1.00 H new ATOM 0 HA LYS A 51 17.129 10.614 -2.016 1.00 1.00 H new ATOM 0 HB2 LYS A 51 18.963 8.725 -3.574 1.00 1.00 H new ATOM 0 HB3 LYS A 51 17.754 9.784 -4.275 1.00 1.00 H new ATOM 0 HG2 LYS A 51 18.936 11.783 -3.404 1.00 1.00 H new ATOM 0 HG3 LYS A 51 20.093 10.771 -2.562 1.00 1.00 H new ATOM 0 HD2 LYS A 51 20.756 9.760 -4.805 1.00 1.00 H new ATOM 0 HD3 LYS A 51 19.691 10.908 -5.593 1.00 1.00 H new ATOM 0 HE2 LYS A 51 21.971 11.826 -5.584 1.00 1.00 H new ATOM 0 HE3 LYS A 51 20.969 12.802 -4.529 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 23.249 11.968 -3.681 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 21.917 11.898 -2.630 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 22.451 10.492 -3.419 1.00 1.00 H new ATOM 802 N ALA A 52 17.227 7.325 -1.818 1.00 1.00 N ATOM 803 CA ALA A 52 16.391 6.144 -1.746 1.00 1.00 C ATOM 804 C ALA A 52 15.488 6.230 -0.520 1.00 1.00 C ATOM 805 O ALA A 52 14.307 5.947 -0.607 1.00 1.00 O ATOM 806 CB ALA A 52 17.261 4.879 -1.668 1.00 1.00 C ATOM 0 H ALA A 52 18.219 7.160 -1.646 1.00 1.00 H new ATOM 0 HA ALA A 52 15.776 6.090 -2.644 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.620 3.999 -1.614 1.00 1.00 H new ATOM 0 HB2 ALA A 52 17.891 4.815 -2.555 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.890 4.924 -0.779 1.00 1.00 H new ATOM 812 N LYS A 53 16.052 6.617 0.623 1.00 1.00 N ATOM 813 CA LYS A 53 15.268 6.700 1.852 1.00 1.00 C ATOM 814 C LYS A 53 14.091 7.654 1.706 1.00 1.00 C ATOM 815 O LYS A 53 12.945 7.280 1.951 1.00 1.00 O ATOM 816 CB LYS A 53 16.179 7.181 3.015 1.00 1.00 C ATOM 817 CG LYS A 53 16.340 6.083 4.086 1.00 1.00 C ATOM 818 CD LYS A 53 17.387 5.040 3.632 1.00 1.00 C ATOM 819 CE LYS A 53 18.672 5.192 4.449 1.00 1.00 C ATOM 820 NZ LYS A 53 19.291 6.510 4.141 1.00 1.00 N ATOM 0 H LYS A 53 17.034 6.874 0.723 1.00 1.00 H new ATOM 0 HA LYS A 53 14.873 5.707 2.065 1.00 1.00 H new ATOM 0 HB2 LYS A 53 17.158 7.458 2.623 1.00 1.00 H new ATOM 0 HB3 LYS A 53 15.753 8.076 3.469 1.00 1.00 H new ATOM 0 HG2 LYS A 53 16.648 6.530 5.031 1.00 1.00 H new ATOM 0 HG3 LYS A 53 15.382 5.594 4.262 1.00 1.00 H new ATOM 0 HD2 LYS A 53 16.986 4.034 3.755 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.604 5.169 2.572 1.00 1.00 H new ATOM 0 HE2 LYS A 53 18.451 5.120 5.514 1.00 1.00 H new ATOM 0 HE3 LYS A 53 19.366 4.386 4.212 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 20.054 6.702 4.821 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 19.681 6.493 3.177 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 18.570 7.257 4.210 1.00 1.00 H new ATOM 834 N GLU A 54 14.380 8.880 1.315 1.00 1.00 N ATOM 835 CA GLU A 54 13.336 9.868 1.161 1.00 1.00 C ATOM 836 C GLU A 54 12.262 9.350 0.229 1.00 1.00 C ATOM 837 O GLU A 54 11.070 9.595 0.435 1.00 1.00 O ATOM 838 CB GLU A 54 13.936 11.157 0.620 1.00 1.00 C ATOM 839 CG GLU A 54 14.493 10.923 -0.780 1.00 1.00 C ATOM 840 CD GLU A 54 15.186 12.179 -1.292 1.00 1.00 C ATOM 841 OE1 GLU A 54 15.895 12.796 -0.518 1.00 1.00 O ATOM 842 OE2 GLU A 54 14.997 12.502 -2.454 1.00 1.00 O ATOM 0 H GLU A 54 15.320 9.211 1.100 1.00 1.00 H new ATOM 0 HA GLU A 54 12.880 10.068 2.131 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.177 11.938 0.593 1.00 1.00 H new ATOM 0 HB3 GLU A 54 14.728 11.506 1.282 1.00 1.00 H new ATOM 0 HG2 GLU A 54 15.198 10.092 -0.764 1.00 1.00 H new ATOM 0 HG3 GLU A 54 13.686 10.643 -1.457 1.00 1.00 H new ATOM 849 N SER A 55 12.686 8.611 -0.785 1.00 1.00 N ATOM 850 CA SER A 55 11.736 8.046 -1.722 1.00 1.00 C ATOM 851 C SER A 55 10.783 7.105 -0.997 1.00 1.00 C ATOM 852 O SER A 55 9.582 7.099 -1.264 1.00 1.00 O ATOM 853 CB SER A 55 12.463 7.278 -2.826 1.00 1.00 C ATOM 854 OG SER A 55 11.507 6.755 -3.737 1.00 1.00 O ATOM 0 H SER A 55 13.664 8.393 -0.976 1.00 1.00 H new ATOM 0 HA SER A 55 11.171 8.863 -2.170 1.00 1.00 H new ATOM 0 HB2 SER A 55 13.158 7.937 -3.347 1.00 1.00 H new ATOM 0 HB3 SER A 55 13.053 6.469 -2.395 1.00 1.00 H new ATOM 0 HG SER A 55 11.968 6.263 -4.448 1.00 1.00 H new ATOM 860 N ILE A 56 11.328 6.296 -0.093 1.00 1.00 N ATOM 861 CA ILE A 56 10.499 5.333 0.635 1.00 1.00 C ATOM 862 C ILE A 56 9.488 6.047 1.529 1.00 1.00 C ATOM 863 O ILE A 56 8.313 5.700 1.551 1.00 1.00 O ATOM 864 CB ILE A 56 11.374 4.431 1.519 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.554 3.877 0.723 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.549 3.256 2.040 1.00 1.00 C ATOM 867 CD1 ILE A 56 12.080 3.306 -0.612 1.00 1.00 C ATOM 0 H ILE A 56 12.318 6.284 0.152 1.00 1.00 H new ATOM 0 HA ILE A 56 9.971 4.733 -0.106 1.00 1.00 H new ATOM 0 HB ILE A 56 11.745 5.031 2.350 1.00 1.00 H new ATOM 0 HG12 ILE A 56 13.285 4.667 0.548 1.00 1.00 H new ATOM 0 HG13 ILE A 56 13.056 3.100 1.300 1.00 1.00 H new ATOM 0 HG21 ILE A 56 11.176 2.621 2.666 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.712 3.632 2.628 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.170 2.676 1.199 1.00 1.00 H new ATOM 0 HD11 ILE A 56 12.935 2.916 -1.165 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.367 2.501 -0.431 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.599 4.092 -1.194 1.00 1.00 H new ATOM 879 N ARG A 57 9.968 7.030 2.275 1.00 1.00 N ATOM 880 CA ARG A 57 9.097 7.768 3.181 1.00 1.00 C ATOM 881 C ARG A 57 7.924 8.368 2.411 1.00 1.00 C ATOM 882 O ARG A 57 6.761 8.112 2.728 1.00 1.00 O ATOM 883 CB ARG A 57 9.881 8.882 3.873 1.00 1.00 C ATOM 884 CG ARG A 57 11.195 8.318 4.452 1.00 1.00 C ATOM 885 CD ARG A 57 11.603 9.108 5.693 1.00 1.00 C ATOM 886 NE ARG A 57 10.762 8.717 6.816 1.00 1.00 N ATOM 887 CZ ARG A 57 10.581 9.526 7.853 1.00 1.00 C ATOM 888 NH1 ARG A 57 11.149 10.700 7.869 1.00 1.00 N ATOM 889 NH2 ARG A 57 9.832 9.148 8.853 1.00 1.00 N ATOM 0 H ARG A 57 10.942 7.333 2.273 1.00 1.00 H new ATOM 0 HA ARG A 57 8.714 7.079 3.934 1.00 1.00 H new ATOM 0 HB2 ARG A 57 10.099 9.680 3.163 1.00 1.00 H new ATOM 0 HB3 ARG A 57 9.281 9.320 4.670 1.00 1.00 H new ATOM 0 HG2 ARG A 57 11.067 7.266 4.707 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.984 8.371 3.702 1.00 1.00 H new ATOM 0 HD2 ARG A 57 12.651 8.922 5.928 1.00 1.00 H new ATOM 0 HD3 ARG A 57 11.504 10.177 5.505 1.00 1.00 H new ATOM 0 HE ARG A 57 10.304 7.806 6.806 1.00 1.00 H new ATOM 0 HH11 ARG A 57 11.731 10.996 7.085 1.00 1.00 H new ATOM 0 HH12 ARG A 57 11.011 11.323 8.665 1.00 1.00 H new ATOM 0 HH21 ARG A 57 9.386 8.231 8.838 1.00 1.00 H new ATOM 0 HH22 ARG A 57 9.693 9.770 9.650 1.00 1.00 H new ATOM 903 N ALA A 58 8.229 9.175 1.405 1.00 1.00 N ATOM 904 CA ALA A 58 7.181 9.809 0.619 1.00 1.00 C ATOM 905 C ALA A 58 6.184 8.769 0.109 1.00 1.00 C ATOM 906 O ALA A 58 4.970 8.903 0.304 1.00 1.00 O ATOM 907 CB ALA A 58 7.808 10.537 -0.572 1.00 1.00 C ATOM 0 H ALA A 58 9.180 9.404 1.117 1.00 1.00 H new ATOM 0 HA ALA A 58 6.651 10.519 1.254 1.00 1.00 H new ATOM 0 HB1 ALA A 58 7.024 11.012 -1.162 1.00 1.00 H new ATOM 0 HB2 ALA A 58 8.501 11.297 -0.210 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.346 9.821 -1.194 1.00 1.00 H new ATOM 913 N LYS A 59 6.701 7.735 -0.545 1.00 1.00 N ATOM 914 CA LYS A 59 5.843 6.691 -1.093 1.00 1.00 C ATOM 915 C LYS A 59 5.033 6.018 0.012 1.00 1.00 C ATOM 916 O LYS A 59 3.841 5.748 -0.146 1.00 1.00 O ATOM 917 CB LYS A 59 6.701 5.648 -1.840 1.00 1.00 C ATOM 918 CG LYS A 59 6.031 5.296 -3.169 1.00 1.00 C ATOM 919 CD LYS A 59 6.217 6.457 -4.174 1.00 1.00 C ATOM 920 CE LYS A 59 4.901 6.712 -4.898 1.00 1.00 C ATOM 921 NZ LYS A 59 5.045 7.895 -5.789 1.00 1.00 N ATOM 0 H LYS A 59 7.699 7.597 -0.708 1.00 1.00 H new ATOM 0 HA LYS A 59 5.144 7.147 -1.794 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.701 6.044 -2.018 1.00 1.00 H new ATOM 0 HB3 LYS A 59 6.817 4.752 -1.230 1.00 1.00 H new ATOM 0 HG2 LYS A 59 6.463 4.380 -3.573 1.00 1.00 H new ATOM 0 HG3 LYS A 59 4.969 5.105 -3.012 1.00 1.00 H new ATOM 0 HD2 LYS A 59 6.538 7.358 -3.651 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.999 6.210 -4.892 1.00 1.00 H new ATOM 0 HE2 LYS A 59 4.619 5.836 -5.482 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.103 6.883 -4.175 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 4.223 8.521 -5.670 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 5.913 8.412 -5.542 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 5.099 7.580 -6.779 1.00 1.00 H new ATOM 935 N CYS A 60 5.698 5.747 1.117 1.00 1.00 N ATOM 936 CA CYS A 60 5.053 5.098 2.252 1.00 1.00 C ATOM 937 C CYS A 60 3.797 5.867 2.632 1.00 1.00 C ATOM 938 O CYS A 60 2.758 5.274 2.924 1.00 1.00 O ATOM 939 CB CYS A 60 6.019 5.036 3.447 1.00 1.00 C ATOM 940 SG CYS A 60 7.050 3.554 3.310 1.00 1.00 S ATOM 0 H CYS A 60 6.685 5.964 1.258 1.00 1.00 H new ATOM 0 HA CYS A 60 4.779 4.080 1.974 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.646 5.928 3.469 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.458 5.017 4.382 1.00 1.00 H new ATOM 0 HG CYS A 60 7.869 3.501 4.318 1.00 1.00 H new ATOM 946 N VAL A 61 3.892 7.188 2.612 1.00 1.00 N ATOM 947 CA VAL A 61 2.743 8.016 2.942 1.00 1.00 C ATOM 948 C VAL A 61 1.641 7.811 1.909 1.00 1.00 C ATOM 949 O VAL A 61 0.482 7.596 2.261 1.00 1.00 O ATOM 950 CB VAL A 61 3.150 9.487 2.966 1.00 1.00 C ATOM 951 CG1 VAL A 61 1.925 10.353 3.256 1.00 1.00 C ATOM 952 CG2 VAL A 61 4.202 9.702 4.051 1.00 1.00 C ATOM 0 H VAL A 61 4.740 7.703 2.374 1.00 1.00 H new ATOM 0 HA VAL A 61 2.373 7.728 3.926 1.00 1.00 H new ATOM 0 HB VAL A 61 3.565 9.767 1.998 1.00 1.00 H new ATOM 0 HG11 VAL A 61 2.217 11.403 3.273 1.00 1.00 H new ATOM 0 HG12 VAL A 61 1.177 10.197 2.479 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.506 10.078 4.224 1.00 1.00 H new ATOM 0 HG21 VAL A 61 4.495 10.752 4.071 1.00 1.00 H new ATOM 0 HG22 VAL A 61 3.788 9.422 5.020 1.00 1.00 H new ATOM 0 HG23 VAL A 61 5.075 9.086 3.838 1.00 1.00 H new ATOM 962 N GLN A 62 2.007 7.893 0.632 1.00 1.00 N ATOM 963 CA GLN A 62 1.026 7.727 -0.439 1.00 1.00 C ATOM 964 C GLN A 62 0.293 6.398 -0.290 1.00 1.00 C ATOM 965 O GLN A 62 -0.938 6.338 -0.385 1.00 1.00 O ATOM 966 CB GLN A 62 1.733 7.767 -1.796 1.00 1.00 C ATOM 967 CG GLN A 62 2.479 9.094 -1.941 1.00 1.00 C ATOM 968 CD GLN A 62 3.211 9.145 -3.276 1.00 1.00 C ATOM 969 OE1 GLN A 62 2.624 8.859 -4.321 1.00 1.00 O ATOM 970 NE2 GLN A 62 4.469 9.487 -3.302 1.00 1.00 N ATOM 0 H GLN A 62 2.960 8.071 0.316 1.00 1.00 H new ATOM 0 HA GLN A 62 0.302 8.539 -0.377 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.431 6.934 -1.880 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.006 7.656 -2.601 1.00 1.00 H new ATOM 0 HG2 GLN A 62 1.776 9.924 -1.872 1.00 1.00 H new ATOM 0 HG3 GLN A 62 3.191 9.210 -1.124 1.00 1.00 H new ATOM 0 HE21 GLN A 62 4.951 9.723 -2.435 1.00 1.00 H new ATOM 0 HE22 GLN A 62 4.971 9.519 -4.190 1.00 1.00 H new ATOM 979 N TYR A 63 1.053 5.333 -0.051 1.00 1.00 N ATOM 980 CA TYR A 63 0.457 4.013 0.109 1.00 1.00 C ATOM 981 C TYR A 63 -0.458 3.979 1.324 1.00 1.00 C ATOM 982 O TYR A 63 -1.605 3.538 1.236 1.00 1.00 O ATOM 983 CB TYR A 63 1.555 2.946 0.256 1.00 1.00 C ATOM 984 CG TYR A 63 2.411 2.880 -1.001 1.00 1.00 C ATOM 985 CD1 TYR A 63 1.817 2.813 -2.271 1.00 1.00 C ATOM 986 CD2 TYR A 63 3.809 2.891 -0.895 1.00 1.00 C ATOM 987 CE1 TYR A 63 2.612 2.762 -3.419 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.602 2.841 -2.047 1.00 1.00 C ATOM 989 CZ TYR A 63 4.001 2.781 -3.309 1.00 1.00 C ATOM 990 OH TYR A 63 4.775 2.732 -4.447 1.00 1.00 O ATOM 0 H TYR A 63 2.069 5.358 0.035 1.00 1.00 H new ATOM 0 HA TYR A 63 -0.135 3.798 -0.781 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.182 3.178 1.117 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.101 1.973 0.445 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.741 2.801 -2.361 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.275 2.938 0.078 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.149 2.708 -4.393 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.679 2.849 -1.962 1.00 1.00 H new ATOM 0 HH TYR A 63 4.338 3.240 -5.162 1.00 1.00 H new ATOM 1000 N LEU A 64 0.050 4.435 2.456 1.00 1.00 N ATOM 1001 CA LEU A 64 -0.757 4.429 3.665 1.00 1.00 C ATOM 1002 C LEU A 64 -2.007 5.269 3.475 1.00 1.00 C ATOM 1003 O LEU A 64 -3.104 4.829 3.803 1.00 1.00 O ATOM 1004 CB LEU A 64 0.066 4.973 4.846 1.00 1.00 C ATOM 1005 CG LEU A 64 0.746 3.829 5.610 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.832 4.415 6.517 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.287 3.061 6.464 1.00 1.00 C ATOM 0 H LEU A 64 0.994 4.806 2.564 1.00 1.00 H new ATOM 0 HA LEU A 64 -1.057 3.403 3.878 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.820 5.670 4.479 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -0.583 5.531 5.521 1.00 1.00 H new ATOM 0 HG LEU A 64 1.190 3.134 4.897 1.00 1.00 H new ATOM 0 HD11 LEU A 64 2.322 3.610 7.065 1.00 1.00 H new ATOM 0 HD12 LEU A 64 2.568 4.941 5.910 1.00 1.00 H new ATOM 0 HD13 LEU A 64 1.380 5.112 7.223 1.00 1.00 H new ATOM 0 HD21 LEU A 64 0.212 2.253 6.999 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -0.745 3.742 7.181 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -1.058 2.645 5.815 1.00 1.00 H new ATOM 1019 N ASP A 65 -1.860 6.471 2.946 1.00 1.00 N ATOM 1020 CA ASP A 65 -3.008 7.330 2.748 1.00 1.00 C ATOM 1021 C ASP A 65 -4.091 6.592 1.984 1.00 1.00 C ATOM 1022 O ASP A 65 -5.261 6.607 2.375 1.00 1.00 O ATOM 1023 CB ASP A 65 -2.572 8.559 1.956 1.00 1.00 C ATOM 1024 CG ASP A 65 -3.764 9.467 1.687 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -4.804 9.243 2.284 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -3.618 10.376 0.887 1.00 1.00 O ATOM 0 H ASP A 65 -0.968 6.868 2.650 1.00 1.00 H new ATOM 0 HA ASP A 65 -3.407 7.630 3.717 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -1.809 9.105 2.510 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -2.121 8.251 1.013 1.00 1.00 H new ATOM 1031 N ARG A 66 -3.700 5.933 0.906 1.00 1.00 N ATOM 1032 CA ARG A 66 -4.665 5.192 0.121 1.00 1.00 C ATOM 1033 C ARG A 66 -5.321 4.122 0.987 1.00 1.00 C ATOM 1034 O ARG A 66 -6.536 3.921 0.943 1.00 1.00 O ATOM 1035 CB ARG A 66 -3.971 4.544 -1.071 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.538 5.627 -2.076 1.00 1.00 C ATOM 1037 CD ARG A 66 -4.733 6.130 -2.893 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.468 5.001 -3.445 1.00 1.00 N ATOM 1039 CZ ARG A 66 -6.546 5.184 -4.191 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -6.968 6.392 -4.440 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -7.183 4.153 -4.675 1.00 1.00 N ATOM 0 H ARG A 66 -2.741 5.897 0.562 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.433 5.875 -0.243 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -3.102 3.979 -0.734 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.644 3.835 -1.554 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -3.081 6.461 -1.543 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.779 5.223 -2.746 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -5.390 6.729 -2.262 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -4.387 6.778 -3.698 1.00 1.00 H new ATOM 0 HE ARG A 66 -5.147 4.052 -3.253 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -6.468 7.195 -4.060 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -7.799 6.534 -5.015 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -6.850 3.209 -4.478 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -8.014 4.291 -5.250 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.508 3.421 1.760 1.00 1.00 N ATOM 1056 CA ALA A 67 -5.030 2.367 2.609 1.00 1.00 C ATOM 1057 C ALA A 67 -6.006 2.942 3.642 1.00 1.00 C ATOM 1058 O ALA A 67 -7.030 2.333 3.952 1.00 1.00 O ATOM 1059 CB ALA A 67 -3.866 1.629 3.309 1.00 1.00 C ATOM 0 H ALA A 67 -3.499 3.560 1.817 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.574 1.654 1.990 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -4.266 0.839 3.945 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -3.208 1.192 2.558 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.302 2.335 3.919 1.00 1.00 H new ATOM 1065 N GLU A 68 -5.679 4.112 4.167 1.00 1.00 N ATOM 1066 CA GLU A 68 -6.520 4.765 5.164 1.00 1.00 C ATOM 1067 C GLU A 68 -7.906 5.060 4.614 1.00 1.00 C ATOM 1068 O GLU A 68 -8.909 4.663 5.202 1.00 1.00 O ATOM 1069 CB GLU A 68 -5.870 6.079 5.602 1.00 1.00 C ATOM 1070 CG GLU A 68 -4.642 5.788 6.462 1.00 1.00 C ATOM 1071 CD GLU A 68 -3.938 7.093 6.825 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -4.447 8.139 6.457 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -2.902 7.026 7.464 1.00 1.00 O ATOM 0 H GLU A 68 -4.837 4.632 3.921 1.00 1.00 H new ATOM 0 HA GLU A 68 -6.620 4.088 6.013 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -5.583 6.662 4.727 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -6.585 6.679 6.164 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -4.939 5.261 7.369 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -3.957 5.133 5.923 1.00 1.00 H new ATOM 1080 N LYS A 69 -7.965 5.759 3.492 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.252 6.090 2.908 1.00 1.00 C ATOM 1082 C LYS A 69 -10.010 4.812 2.553 1.00 1.00 C ATOM 1083 O LYS A 69 -11.240 4.756 2.656 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.063 6.957 1.660 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.192 6.211 0.667 1.00 1.00 C ATOM 1086 CD LYS A 69 -8.014 7.028 -0.618 1.00 1.00 C ATOM 1087 CE LYS A 69 -9.377 7.316 -1.263 1.00 1.00 C ATOM 1088 NZ LYS A 69 -9.207 7.502 -2.731 1.00 1.00 N ATOM 0 H LYS A 69 -7.154 6.102 2.977 1.00 1.00 H new ATOM 0 HA LYS A 69 -9.833 6.654 3.638 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -10.030 7.189 1.213 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -8.600 7.907 1.928 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.218 6.006 1.112 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -8.644 5.247 0.432 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -7.506 7.966 -0.393 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.381 6.483 -1.318 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -10.064 6.493 -1.068 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -9.818 8.210 -0.822 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -10.001 8.060 -3.104 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -8.314 8.002 -2.916 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -9.187 6.573 -3.199 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.268 3.783 2.132 1.00 1.00 N ATOM 1103 CA LEU A 70 -9.887 2.517 1.758 1.00 1.00 C ATOM 1104 C LEU A 70 -10.620 1.925 2.944 1.00 1.00 C ATOM 1105 O LEU A 70 -11.790 1.550 2.849 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.821 1.537 1.231 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.492 1.864 -0.240 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -7.131 1.276 -0.626 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.575 1.278 -1.172 1.00 1.00 C ATOM 0 H LEU A 70 -8.252 3.804 2.044 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.609 2.698 0.962 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -7.919 1.605 1.839 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -9.184 0.512 1.313 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.463 2.948 -0.349 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.913 1.515 -1.667 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.357 1.700 0.013 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -7.153 0.194 -0.500 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -9.331 1.516 -2.207 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.615 0.196 -1.048 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.544 1.708 -0.919 1.00 1.00 H new ATOM 1121 N LYS A 71 -9.941 1.904 4.066 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.510 1.415 5.307 1.00 1.00 C ATOM 1123 C LYS A 71 -11.590 2.373 5.819 1.00 1.00 C ATOM 1124 O LYS A 71 -12.490 1.978 6.556 1.00 1.00 O ATOM 1125 CB LYS A 71 -9.428 1.273 6.379 1.00 1.00 C ATOM 1126 CG LYS A 71 -10.000 0.579 7.623 1.00 1.00 C ATOM 1127 CD LYS A 71 -9.067 0.759 8.811 1.00 1.00 C ATOM 1128 CE LYS A 71 -7.688 0.219 8.458 1.00 1.00 C ATOM 1129 NZ LYS A 71 -6.889 0.065 9.703 1.00 1.00 N ATOM 0 H LYS A 71 -8.976 2.225 4.148 1.00 1.00 H new ATOM 0 HA LYS A 71 -10.953 0.439 5.106 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -8.590 0.697 5.986 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -9.041 2.256 6.648 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -10.981 0.992 7.858 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -10.141 -0.483 7.422 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -8.999 1.814 9.078 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -9.463 0.235 9.681 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -7.779 -0.741 7.949 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -7.184 0.898 7.770 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -5.946 -0.304 9.467 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -6.792 0.989 10.170 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -7.369 -0.598 10.344 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.480 3.643 5.455 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.430 4.643 5.937 1.00 1.00 C ATOM 1145 C ASP A 72 -13.850 4.387 5.460 1.00 1.00 C ATOM 1146 O ASP A 72 -14.780 4.266 6.264 1.00 1.00 O ATOM 1147 CB ASP A 72 -11.990 6.010 5.408 1.00 1.00 C ATOM 1148 CG ASP A 72 -12.720 7.123 6.148 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -13.700 6.822 6.815 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -12.290 8.261 6.038 1.00 1.00 O ATOM 0 H ASP A 72 -10.754 4.005 4.836 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.434 4.599 7.026 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -10.913 6.126 5.533 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.196 6.078 4.340 1.00 1.00 H new ATOM 1155 N TYR A 73 -14.010 4.295 4.148 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.340 4.057 3.604 1.00 1.00 C ATOM 1157 C TYR A 73 -15.720 2.593 3.752 1.00 1.00 C ATOM 1158 O TYR A 73 -16.890 2.267 3.901 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.450 4.510 2.148 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.760 3.535 1.238 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.390 2.328 0.917 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.500 3.834 0.712 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.750 1.418 0.074 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.870 2.927 -0.136 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.500 1.721 -0.452 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.860 0.817 -1.259 1.00 1.00 O ATOM 0 H TYR A 73 -13.263 4.378 3.459 1.00 1.00 H new ATOM 0 HA TYR A 73 -16.045 4.658 4.178 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.500 4.598 1.867 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -15.006 5.499 2.035 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.366 2.101 1.319 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -13.016 4.766 0.963 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -15.226 0.479 -0.169 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.898 3.155 -0.548 1.00 1.00 H new ATOM 0 HH TYR A 73 -13.308 -0.052 -1.196 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.720 1.711 3.716 1.00 1.00 N ATOM 1177 CA LEU A 74 -14.990 0.279 3.860 1.00 1.00 C ATOM 1178 C LEU A 74 -15.660 0.021 5.208 1.00 1.00 C ATOM 1179 O LEU A 74 -16.700 -0.637 5.285 1.00 1.00 O ATOM 1180 CB LEU A 74 -13.670 -0.499 3.801 1.00 1.00 C ATOM 1181 CG LEU A 74 -13.290 -0.817 2.348 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -11.820 -1.323 2.278 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -14.280 -1.867 1.775 1.00 1.00 C ATOM 0 H LEU A 74 -13.737 1.954 3.591 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.646 -0.047 3.053 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -12.877 0.084 4.270 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -13.763 -1.425 4.369 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.358 0.087 1.742 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.561 -1.546 1.243 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -11.151 -0.553 2.662 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -11.717 -2.226 2.880 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -14.012 -2.094 0.743 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -14.230 -2.778 2.372 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -15.293 -1.467 1.807 1.00 1.00 H new ATOM 1195 N ARG A 75 -15.070 0.554 6.265 1.00 1.00 N ATOM 1196 CA ARG A 75 -15.620 0.387 7.592 1.00 1.00 C ATOM 1197 C ARG A 75 -16.980 1.063 7.674 1.00 1.00 C ATOM 1198 O ARG A 75 -17.920 0.515 8.240 1.00 1.00 O ATOM 1199 CB ARG A 75 -14.670 0.963 8.639 1.00 1.00 C ATOM 1200 CG ARG A 75 -15.310 0.861 10.018 1.00 1.00 C ATOM 1201 CD ARG A 75 -14.280 1.181 11.099 1.00 1.00 C ATOM 1202 NE ARG A 75 -14.840 0.917 12.423 1.00 1.00 N ATOM 1203 CZ ARG A 75 -14.190 1.277 13.528 1.00 1.00 C ATOM 1204 NH1 ARG A 75 -13.040 1.882 13.436 1.00 1.00 N ATOM 1205 NH2 ARG A 75 -14.710 1.026 14.701 1.00 1.00 N ATOM 0 H ARG A 75 -14.212 1.104 6.226 1.00 1.00 H new ATOM 0 HA ARG A 75 -15.743 -0.677 7.794 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -13.724 0.421 8.624 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -14.445 2.004 8.407 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -16.150 1.552 10.090 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -15.708 -0.142 10.170 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -13.384 0.578 10.948 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -13.977 2.226 11.026 1.00 1.00 H new ATOM 0 HE ARG A 75 -15.743 0.450 12.502 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -12.639 2.079 12.519 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -12.540 2.159 14.281 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -15.612 0.555 14.769 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -14.213 1.301 15.548 1.00 1.00 H new TER 1219 ARG A 75 ATOM 1220 N ILE B 168 16.403 3.553 -6.901 1.00 1.00 N ATOM 1221 CA ILE B 168 15.121 3.001 -6.472 1.00 1.00 C ATOM 1222 C ILE B 168 13.998 3.575 -7.317 1.00 1.00 C ATOM 1223 O ILE B 168 13.883 4.790 -7.475 1.00 1.00 O ATOM 1224 CB ILE B 168 14.872 3.314 -4.978 1.00 1.00 C ATOM 1225 CG1 ILE B 168 15.749 2.385 -4.130 1.00 1.00 C ATOM 1226 CG2 ILE B 168 13.390 3.101 -4.618 1.00 1.00 C ATOM 1227 CD1 ILE B 168 15.430 2.540 -2.639 1.00 1.00 C ATOM 0 HA ILE B 168 15.147 1.919 -6.602 1.00 1.00 H new ATOM 0 HB ILE B 168 15.125 4.356 -4.781 1.00 1.00 H new ATOM 0 HG12 ILE B 168 15.590 1.351 -4.434 1.00 1.00 H new ATOM 0 HG13 ILE B 168 16.801 2.611 -4.306 1.00 1.00 H new ATOM 0 HG21 ILE B 168 13.236 3.326 -3.563 1.00 1.00 H new ATOM 0 HG22 ILE B 168 12.770 3.761 -5.224 1.00 1.00 H new ATOM 0 HG23 ILE B 168 13.114 2.064 -4.812 1.00 1.00 H new ATOM 0 HD11 ILE B 168 16.065 1.870 -2.059 1.00 1.00 H new ATOM 0 HD12 ILE B 168 15.614 3.570 -2.333 1.00 1.00 H new ATOM 0 HD13 ILE B 168 14.384 2.290 -2.463 1.00 1.00 H new ATOM 1239 N GLU B 169 13.149 2.692 -7.834 1.00 1.00 N ATOM 1240 CA GLU B 169 12.007 3.114 -8.640 1.00 1.00 C ATOM 1241 C GLU B 169 10.738 2.428 -8.144 1.00 1.00 C ATOM 1242 O GLU B 169 10.501 1.254 -8.426 1.00 1.00 O ATOM 1243 CB GLU B 169 12.245 2.772 -10.110 1.00 1.00 C ATOM 1244 CG GLU B 169 12.951 1.420 -10.210 1.00 1.00 C ATOM 1245 CD GLU B 169 13.052 0.994 -11.670 1.00 1.00 C ATOM 1246 OE1 GLU B 169 12.138 1.297 -12.420 1.00 1.00 O ATOM 1247 OE2 GLU B 169 14.041 0.372 -12.010 1.00 1.00 O ATOM 0 H GLU B 169 13.229 1.683 -7.710 1.00 1.00 H new ATOM 0 HA GLU B 169 11.888 4.193 -8.545 1.00 1.00 H new ATOM 0 HB2 GLU B 169 11.296 2.739 -10.645 1.00 1.00 H new ATOM 0 HB3 GLU B 169 12.850 3.546 -10.581 1.00 1.00 H new ATOM 0 HG2 GLU B 169 13.947 1.487 -9.772 1.00 1.00 H new ATOM 0 HG3 GLU B 169 12.402 0.670 -9.641 1.00 1.00 H new ATOM 1254 N LEU B 170 9.927 3.165 -7.395 1.00 1.00 N ATOM 1255 CA LEU B 170 8.690 2.614 -6.853 1.00 1.00 C ATOM 1256 C LEU B 170 7.537 2.791 -7.842 1.00 1.00 C ATOM 1257 O LEU B 170 7.635 3.580 -8.781 1.00 1.00 O ATOM 1258 CB LEU B 170 8.338 3.326 -5.544 1.00 1.00 C ATOM 1259 CG LEU B 170 9.550 3.326 -4.602 1.00 1.00 C ATOM 1260 CD1 LEU B 170 9.299 4.291 -3.442 1.00 1.00 C ATOM 1261 CD2 LEU B 170 9.786 1.916 -4.043 1.00 1.00 C ATOM 0 H LEU B 170 10.101 4.140 -7.150 1.00 1.00 H new ATOM 0 HA LEU B 170 8.841 1.550 -6.672 1.00 1.00 H new ATOM 0 HB2 LEU B 170 8.028 4.350 -5.750 1.00 1.00 H new ATOM 0 HB3 LEU B 170 7.495 2.828 -5.065 1.00 1.00 H new ATOM 0 HG LEU B 170 10.430 3.643 -5.162 1.00 1.00 H new ATOM 0 HD11 LEU B 170 10.161 4.289 -2.774 1.00 1.00 H new ATOM 0 HD12 LEU B 170 9.144 5.297 -3.832 1.00 1.00 H new ATOM 0 HD13 LEU B 170 8.413 3.975 -2.891 1.00 1.00 H new ATOM 0 HD21 LEU B 170 10.648 1.929 -3.376 1.00 1.00 H new ATOM 0 HD22 LEU B 170 8.904 1.592 -3.490 1.00 1.00 H new ATOM 0 HD23 LEU B 170 9.973 1.225 -4.865 1.00 1.00 H new ATOM 1273 N PRO B 171 6.447 2.092 -7.637 1.00 1.00 N ATOM 1274 CA PRO B 171 5.248 2.208 -8.527 1.00 1.00 C ATOM 1275 C PRO B 171 4.295 3.304 -8.055 1.00 1.00 C ATOM 1276 O PRO B 171 4.426 3.821 -6.945 1.00 1.00 O ATOM 1277 CB PRO B 171 4.577 0.826 -8.437 1.00 1.00 C ATOM 1278 CG PRO B 171 5.065 0.252 -7.154 1.00 1.00 C ATOM 1279 CD PRO B 171 6.486 0.769 -6.984 1.00 1.00 C ATOM 0 HA PRO B 171 5.523 2.481 -9.546 1.00 1.00 H new ATOM 0 HB2 PRO B 171 3.490 0.912 -8.444 1.00 1.00 H new ATOM 0 HB3 PRO B 171 4.853 0.196 -9.283 1.00 1.00 H new ATOM 0 HG2 PRO B 171 4.434 0.562 -6.321 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.046 -0.838 -7.180 1.00 1.00 H new ATOM 0 HD2 PRO B 171 6.762 0.848 -5.933 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.213 0.109 -7.456 1.00 1.00 H new ATOM 1287 N GLU B 172 3.325 3.640 -8.904 1.00 1.00 N ATOM 1288 CA GLU B 172 2.333 4.659 -8.567 1.00 1.00 C ATOM 1289 C GLU B 172 1.036 4.014 -8.137 1.00 1.00 C ATOM 1290 O GLU B 172 0.681 2.934 -8.608 1.00 1.00 O ATOM 1291 CB GLU B 172 2.070 5.572 -9.761 1.00 1.00 C ATOM 1292 CG GLU B 172 3.260 6.497 -9.934 1.00 1.00 C ATOM 1293 CD GLU B 172 3.071 7.365 -11.170 1.00 1.00 C ATOM 1294 OE1 GLU B 172 2.045 7.224 -11.810 1.00 1.00 O ATOM 1295 OE2 GLU B 172 3.953 8.158 -11.450 1.00 1.00 O ATOM 0 H GLU B 172 3.205 3.223 -9.827 1.00 1.00 H new ATOM 0 HA GLU B 172 2.731 5.253 -7.744 1.00 1.00 H new ATOM 0 HB2 GLU B 172 1.917 4.980 -10.663 1.00 1.00 H new ATOM 0 HB3 GLU B 172 1.161 6.151 -9.601 1.00 1.00 H new ATOM 0 HG2 GLU B 172 3.373 7.127 -9.051 1.00 1.00 H new ATOM 0 HG3 GLU B 172 4.175 5.912 -10.027 1.00 1.00 H new ATOM 1302 N VAL B 173 0.332 4.676 -7.230 1.00 1.00 N ATOM 1303 CA VAL B 173 -0.924 4.142 -6.730 1.00 1.00 C ATOM 1304 C VAL B 173 -2.085 4.477 -7.688 1.00 1.00 C ATOM 1305 O VAL B 173 -2.199 5.611 -8.154 1.00 1.00 O ATOM 1306 CB VAL B 173 -1.230 4.690 -5.307 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -1.044 3.593 -4.254 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -0.278 5.837 -4.979 1.00 1.00 C ATOM 0 H VAL B 173 0.606 5.573 -6.830 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.825 3.058 -6.672 1.00 1.00 H new ATOM 0 HB VAL B 173 -2.263 5.038 -5.293 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -1.263 3.997 -3.265 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.722 2.766 -4.466 1.00 1.00 H new ATOM 0 HG13 VAL B 173 -0.015 3.235 -4.280 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -0.497 6.217 -3.981 1.00 1.00 H new ATOM 0 HG22 VAL B 173 0.750 5.477 -5.013 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -0.407 6.637 -5.708 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.948 3.522 -7.968 1.00 1.00 N ATOM 1319 CA PRO B 174 -4.119 3.753 -8.867 1.00 1.00 C ATOM 1320 C PRO B 174 -5.192 4.611 -8.198 1.00 1.00 C ATOM 1321 O PRO B 174 -5.317 4.625 -6.972 1.00 1.00 O ATOM 1322 CB PRO B 174 -4.632 2.335 -9.160 1.00 1.00 C ATOM 1323 CG PRO B 174 -4.250 1.533 -7.963 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.940 2.136 -7.457 1.00 1.00 C ATOM 0 HA PRO B 174 -3.851 4.302 -9.770 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -5.711 2.329 -9.311 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -4.181 1.931 -10.066 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -5.024 1.581 -7.197 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -4.122 0.482 -8.221 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.888 2.115 -6.368 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -2.078 1.581 -7.828 1.00 1.00 H new ATOM 1332 N SER B 175 -5.973 5.319 -9.011 1.00 1.00 N ATOM 1333 CA SER B 175 -7.047 6.169 -8.496 1.00 1.00 C ATOM 1334 C SER B 175 -8.358 5.808 -9.173 1.00 1.00 C ATOM 1335 O SER B 175 -8.740 6.416 -10.170 1.00 1.00 O ATOM 1336 CB SER B 175 -6.725 7.638 -8.770 1.00 1.00 C ATOM 1337 OG SER B 175 -5.490 7.969 -8.151 1.00 1.00 O ATOM 0 H SER B 175 -5.884 5.322 -10.027 1.00 1.00 H new ATOM 0 HA SER B 175 -7.137 6.012 -7.421 1.00 1.00 H new ATOM 0 HB2 SER B 175 -6.666 7.816 -9.844 1.00 1.00 H new ATOM 0 HB3 SER B 175 -7.521 8.275 -8.385 1.00 1.00 H new ATOM 0 HG SER B 175 -5.278 8.910 -8.325 1.00 1.00 H new ATOM 1343 N GLU B 176 -9.047 4.811 -8.628 1.00 1.00 N ATOM 1344 CA GLU B 176 -10.310 4.379 -9.200 1.00 1.00 C ATOM 1345 C GLU B 176 -11.480 5.221 -8.651 1.00 1.00 C ATOM 1346 O GLU B 176 -11.320 5.908 -7.642 1.00 1.00 O ATOM 1347 CB GLU B 176 -10.560 2.902 -8.890 1.00 1.00 C ATOM 1348 CG GLU B 176 -9.438 2.061 -9.491 1.00 1.00 C ATOM 1349 CD GLU B 176 -9.490 2.134 -11.010 1.00 1.00 C ATOM 1350 OE1 GLU B 176 -10.570 2.297 -11.540 1.00 1.00 O ATOM 1351 OE2 GLU B 176 -8.441 2.028 -11.620 1.00 1.00 O ATOM 0 H GLU B 176 -8.753 4.294 -7.799 1.00 1.00 H new ATOM 0 HA GLU B 176 -10.251 4.517 -10.280 1.00 1.00 H new ATOM 0 HB2 GLU B 176 -10.607 2.748 -7.812 1.00 1.00 H new ATOM 0 HB3 GLU B 176 -11.521 2.591 -9.299 1.00 1.00 H new ATOM 0 HG2 GLU B 176 -8.472 2.420 -9.134 1.00 1.00 H new ATOM 0 HG3 GLU B 176 -9.534 1.025 -9.165 1.00 1.00 H new ATOM 1358 N PRO B 177 -12.640 5.157 -9.271 1.00 1.00 N ATOM 1359 CA PRO B 177 -13.840 5.913 -8.784 1.00 1.00 C ATOM 1360 C PRO B 177 -14.420 5.299 -7.507 1.00 1.00 C ATOM 1361 O PRO B 177 -15.510 4.726 -7.521 1.00 1.00 O ATOM 1362 CB PRO B 177 -14.840 5.797 -9.941 1.00 1.00 C ATOM 1363 CG PRO B 177 -14.010 5.636 -11.160 1.00 1.00 C ATOM 1364 CD PRO B 177 -12.720 4.937 -10.730 1.00 1.00 C ATOM 0 HA PRO B 177 -13.598 6.944 -8.526 1.00 1.00 H new ATOM 0 HB2 PRO B 177 -15.505 4.945 -9.802 1.00 1.00 H new ATOM 0 HB3 PRO B 177 -15.469 6.685 -10.008 1.00 1.00 H new ATOM 0 HG2 PRO B 177 -14.537 5.047 -11.911 1.00 1.00 H new ATOM 0 HG3 PRO B 177 -13.793 6.605 -11.610 1.00 1.00 H new ATOM 0 HD2 PRO B 177 -12.748 3.874 -10.969 1.00 1.00 H new ATOM 0 HD3 PRO B 177 -11.853 5.356 -11.241 1.00 1.00 H new ATOM 1372 N LEU B 178 -13.680 5.408 -6.406 1.00 1.00 N ATOM 1373 CA LEU B 178 -14.120 4.848 -5.129 1.00 1.00 C ATOM 1374 C LEU B 178 -14.190 5.950 -4.068 1.00 1.00 C ATOM 1375 O LEU B 178 -13.400 6.897 -4.109 1.00 1.00 O ATOM 1376 CB LEU B 178 -13.170 3.719 -4.684 1.00 1.00 C ATOM 1377 CG LEU B 178 -11.760 3.960 -5.239 1.00 1.00 C ATOM 1378 CD1 LEU B 178 -11.180 5.256 -4.653 1.00 1.00 C ATOM 1379 CD2 LEU B 178 -10.870 2.774 -4.861 1.00 1.00 C ATOM 0 H LEU B 178 -12.775 5.878 -6.371 1.00 1.00 H new ATOM 0 HA LEU B 178 -15.117 4.425 -5.253 1.00 1.00 H new ATOM 0 HB2 LEU B 178 -13.136 3.671 -3.596 1.00 1.00 H new ATOM 0 HB3 LEU B 178 -13.547 2.758 -5.034 1.00 1.00 H new ATOM 0 HG LEU B 178 -11.804 4.057 -6.324 1.00 1.00 H new ATOM 0 HD11 LEU B 178 -10.179 5.420 -5.052 1.00 1.00 H new ATOM 0 HD12 LEU B 178 -11.820 6.096 -4.923 1.00 1.00 H new ATOM 0 HD13 LEU B 178 -11.129 5.173 -3.567 1.00 1.00 H new ATOM 0 HD21 LEU B 178 -9.865 2.935 -5.251 1.00 1.00 H new ATOM 0 HD22 LEU B 178 -10.828 2.682 -3.776 1.00 1.00 H new ATOM 0 HD23 LEU B 178 -11.282 1.859 -5.287 1.00 1.00 H new ATOM 1391 N PRO B 179 -15.110 5.843 -3.132 1.00 1.00 N ATOM 1392 CA PRO B 179 -15.270 6.860 -2.051 1.00 1.00 C ATOM 1393 C PRO B 179 -13.950 7.532 -1.681 1.00 1.00 C ATOM 1394 O PRO B 179 -12.940 6.859 -1.473 1.00 1.00 O ATOM 1395 CB PRO B 179 -15.810 6.040 -0.875 1.00 1.00 C ATOM 1396 CG PRO B 179 -16.530 4.878 -1.486 1.00 1.00 C ATOM 1397 CD PRO B 179 -15.930 4.648 -2.878 1.00 1.00 C ATOM 0 HA PRO B 179 -15.923 7.679 -2.352 1.00 1.00 H new ATOM 0 HB2 PRO B 179 -15.000 5.702 -0.229 1.00 1.00 H new ATOM 0 HB3 PRO B 179 -16.482 6.636 -0.258 1.00 1.00 H new ATOM 0 HG2 PRO B 179 -16.417 3.988 -0.867 1.00 1.00 H new ATOM 0 HG3 PRO B 179 -17.598 5.083 -1.557 1.00 1.00 H new ATOM 0 HD2 PRO B 179 -15.327 3.741 -2.904 1.00 1.00 H new ATOM 0 HD3 PRO B 179 -16.709 4.535 -3.632 1.00 1.00 H new TER 1405 PRO B 179