USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 814 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 Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -133:sc= -0.0824 (180deg=-0.774) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 13 HIS : no HD1:sc=-0.00711 X(o=-0.0071,f=-0.013) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl -155:sc= -0.0199 (180deg=-0.746) USER MOD Single : A 17 MET CE :methyl -164:sc= 0 (180deg=-0.157) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0336 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.05 K(o=-1,f=-1.7!) USER MOD Single : A 31 ASN : amide:sc= -1.37! C(o=-1.4!,f=-4.2!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0708 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -131:sc= -0.507 (180deg=-1.47) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.052) USER MOD Single : A 51 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.26) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.318 K(o=-0.32,f=-2.7!) USER MOD Single : A 66 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.32) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0138 X(o=-0.014,f=-0.025) USER MOD Single : A 81 GLN : amide:sc= -4.58! C(o=-4.6!,f=-9.4!) USER MOD Single : A 83 ASN : amide:sc= -2.39 K(o=-2.4,f=-4.5!) USER MOD Single : A 84 THR OG1 : rot -68:sc= 1.02 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 91.024 -32.247 19.383 1.00 0.00 N ATOM 2 CA ARG A 1 91.009 -31.199 18.377 1.00 0.00 C ATOM 3 C ARG A 1 89.993 -31.531 17.281 1.00 0.00 C ATOM 4 O ARG A 1 89.740 -32.701 16.998 1.00 0.00 O ATOM 5 CB ARG A 1 92.391 -31.021 17.745 1.00 0.00 C ATOM 6 CG ARG A 1 92.718 -29.539 17.550 1.00 0.00 C ATOM 7 CD ARG A 1 93.258 -28.922 18.841 1.00 0.00 C ATOM 8 NE ARG A 1 94.428 -28.067 18.543 1.00 0.00 N ATOM 9 CZ ARG A 1 95.644 -28.542 18.196 1.00 0.00 C ATOM 10 NH1 ARG A 1 95.859 -29.871 18.101 1.00 0.00 N ATOM 11 NH2 ARG A 1 96.619 -27.686 17.951 1.00 0.00 N ATOM 0 H1 ARG A 1 91.717 -32.010 20.121 1.00 0.00 H new ATOM 0 H2 ARG A 1 90.079 -32.332 19.810 1.00 0.00 H new ATOM 0 H3 ARG A 1 91.286 -33.150 18.939 1.00 0.00 H new ATOM 0 HA ARG A 1 90.726 -30.269 18.871 1.00 0.00 H new ATOM 0 HB2 ARG A 1 93.147 -31.484 18.379 1.00 0.00 H new ATOM 0 HB3 ARG A 1 92.424 -31.534 16.784 1.00 0.00 H new ATOM 0 HG2 ARG A 1 93.454 -29.427 16.754 1.00 0.00 H new ATOM 0 HG3 ARG A 1 91.823 -29.004 17.234 1.00 0.00 H new ATOM 0 HD2 ARG A 1 92.480 -28.332 19.325 1.00 0.00 H new ATOM 0 HD3 ARG A 1 93.541 -29.710 19.539 1.00 0.00 H new ATOM 0 HE ARG A 1 94.309 -27.056 18.603 1.00 0.00 H new ATOM 0 HH11 ARG A 1 95.100 -30.525 18.292 1.00 0.00 H new ATOM 0 HH12 ARG A 1 96.780 -30.221 17.838 1.00 0.00 H new ATOM 0 HH21 ARG A 1 96.448 -26.683 18.025 1.00 0.00 H new ATOM 0 HH22 ARG A 1 97.543 -28.028 17.688 1.00 0.00 H new ATOM 24 N LYS A 2 89.440 -30.480 16.694 1.00 0.00 N ATOM 25 CA LYS A 2 88.458 -30.645 15.636 1.00 0.00 C ATOM 26 C LYS A 2 87.067 -30.794 16.256 1.00 0.00 C ATOM 27 O LYS A 2 86.929 -31.305 17.366 1.00 0.00 O ATOM 28 CB LYS A 2 88.850 -31.805 14.718 1.00 0.00 C ATOM 29 CG LYS A 2 88.420 -31.531 13.275 1.00 0.00 C ATOM 30 CD LYS A 2 89.520 -30.797 12.506 1.00 0.00 C ATOM 31 CE LYS A 2 90.371 -31.777 11.697 1.00 0.00 C ATOM 32 NZ LYS A 2 91.761 -31.800 12.206 1.00 0.00 N ATOM 0 H LYS A 2 89.653 -29.511 16.931 1.00 0.00 H new ATOM 0 HA LYS A 2 88.431 -29.760 15.000 1.00 0.00 H new ATOM 0 HB2 LYS A 2 89.929 -31.956 14.757 1.00 0.00 H new ATOM 0 HB3 LYS A 2 88.386 -32.726 15.071 1.00 0.00 H new ATOM 0 HG2 LYS A 2 88.188 -32.472 12.776 1.00 0.00 H new ATOM 0 HG3 LYS A 2 87.508 -30.934 13.270 1.00 0.00 H new ATOM 0 HD2 LYS A 2 89.073 -30.061 11.838 1.00 0.00 H new ATOM 0 HD3 LYS A 2 90.154 -30.250 13.204 1.00 0.00 H new ATOM 0 HE2 LYS A 2 89.940 -32.776 11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 2 90.367 -31.489 10.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 92.325 -32.470 11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 92.175 -30.849 12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 91.761 -32.097 13.203 1.00 0.00 H new ATOM 45 N LEU A 3 86.070 -30.338 15.511 1.00 0.00 N ATOM 46 CA LEU A 3 84.695 -30.414 15.973 1.00 0.00 C ATOM 47 C LEU A 3 83.751 -30.144 14.799 1.00 0.00 C ATOM 48 O LEU A 3 84.201 -29.887 13.683 1.00 0.00 O ATOM 49 CB LEU A 3 84.477 -29.479 17.164 1.00 0.00 C ATOM 50 CG LEU A 3 84.427 -30.147 18.540 1.00 0.00 C ATOM 51 CD1 LEU A 3 85.070 -29.257 19.605 1.00 0.00 C ATOM 52 CD2 LEU A 3 82.993 -30.536 18.908 1.00 0.00 C ATOM 0 H LEU A 3 86.188 -29.915 14.591 1.00 0.00 H new ATOM 0 HA LEU A 3 84.472 -31.416 16.339 1.00 0.00 H new ATOM 0 HB2 LEU A 3 85.277 -28.738 17.170 1.00 0.00 H new ATOM 0 HB3 LEU A 3 83.543 -28.938 17.010 1.00 0.00 H new ATOM 0 HG LEU A 3 85.010 -31.067 18.495 1.00 0.00 H new ATOM 0 HD11 LEU A 3 85.021 -29.755 20.573 1.00 0.00 H new ATOM 0 HD12 LEU A 3 86.112 -29.072 19.344 1.00 0.00 H new ATOM 0 HD13 LEU A 3 84.536 -28.308 19.658 1.00 0.00 H new ATOM 0 HD21 LEU A 3 82.985 -31.009 19.890 1.00 0.00 H new ATOM 0 HD22 LEU A 3 82.368 -29.643 18.930 1.00 0.00 H new ATOM 0 HD23 LEU A 3 82.604 -31.233 18.166 1.00 0.00 H new ATOM 64 N GLU A 4 82.461 -30.212 15.091 1.00 0.00 N ATOM 65 CA GLU A 4 81.450 -29.979 14.074 1.00 0.00 C ATOM 66 C GLU A 4 80.836 -28.588 14.245 1.00 0.00 C ATOM 67 O GLU A 4 81.104 -27.905 15.232 1.00 0.00 O ATOM 68 CB GLU A 4 80.371 -31.063 14.113 1.00 0.00 C ATOM 69 CG GLU A 4 79.538 -30.961 15.392 1.00 0.00 C ATOM 70 CD GLU A 4 78.793 -32.269 15.667 1.00 0.00 C ATOM 71 OE1 GLU A 4 79.188 -33.327 15.155 1.00 0.00 O ATOM 72 OE2 GLU A 4 77.769 -32.160 16.444 1.00 0.00 O ATOM 0 H GLU A 4 82.092 -30.425 16.018 1.00 0.00 H new ATOM 0 HA GLU A 4 81.930 -30.026 13.096 1.00 0.00 H new ATOM 0 HB2 GLU A 4 79.722 -30.966 13.243 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.837 -32.047 14.055 1.00 0.00 H new ATOM 0 HG2 GLU A 4 80.187 -30.724 16.235 1.00 0.00 H new ATOM 0 HG3 GLU A 4 78.823 -30.143 15.300 1.00 0.00 H new ATOM 80 N LEU A 5 80.024 -28.210 13.268 1.00 0.00 N ATOM 81 CA LEU A 5 79.370 -26.913 13.299 1.00 0.00 C ATOM 82 C LEU A 5 78.365 -26.826 12.149 1.00 0.00 C ATOM 83 O LEU A 5 78.509 -27.515 11.140 1.00 0.00 O ATOM 84 CB LEU A 5 80.409 -25.789 13.294 1.00 0.00 C ATOM 85 CG LEU A 5 79.981 -24.478 13.957 1.00 0.00 C ATOM 86 CD1 LEU A 5 80.930 -24.106 15.099 1.00 0.00 C ATOM 87 CD2 LEU A 5 79.860 -23.355 12.925 1.00 0.00 C ATOM 0 H LEU A 5 79.804 -28.779 12.451 1.00 0.00 H new ATOM 0 HA LEU A 5 78.807 -26.792 14.225 1.00 0.00 H new ATOM 0 HB2 LEU A 5 81.308 -26.150 13.794 1.00 0.00 H new ATOM 0 HB3 LEU A 5 80.682 -25.578 12.260 1.00 0.00 H new ATOM 0 HG LEU A 5 78.992 -24.623 14.393 1.00 0.00 H new ATOM 0 HD11 LEU A 5 80.604 -23.171 15.553 1.00 0.00 H new ATOM 0 HD12 LEU A 5 80.923 -24.896 15.850 1.00 0.00 H new ATOM 0 HD13 LEU A 5 81.940 -23.986 14.708 1.00 0.00 H new ATOM 0 HD21 LEU A 5 79.555 -22.435 13.423 1.00 0.00 H new ATOM 0 HD22 LEU A 5 80.824 -23.202 12.439 1.00 0.00 H new ATOM 0 HD23 LEU A 5 79.115 -23.627 12.177 1.00 0.00 H new ATOM 99 N THR A 6 77.368 -25.974 12.339 1.00 0.00 N ATOM 100 CA THR A 6 76.339 -25.788 11.331 1.00 0.00 C ATOM 101 C THR A 6 76.394 -24.366 10.768 1.00 0.00 C ATOM 102 O THR A 6 76.005 -23.413 11.442 1.00 0.00 O ATOM 103 CB THR A 6 74.990 -26.141 11.961 1.00 0.00 C ATOM 104 OG1 THR A 6 74.037 -25.488 11.128 1.00 0.00 O ATOM 105 CG2 THR A 6 74.796 -25.490 13.331 1.00 0.00 C ATOM 0 H THR A 6 77.251 -25.404 13.177 1.00 0.00 H new ATOM 0 HA THR A 6 76.498 -26.448 10.478 1.00 0.00 H new ATOM 0 HB THR A 6 74.907 -27.223 12.059 1.00 0.00 H new ATOM 0 HG1 THR A 6 73.133 -25.665 11.464 1.00 0.00 H new ATOM 0 HG21 THR A 6 73.823 -25.773 13.734 1.00 0.00 H new ATOM 0 HG22 THR A 6 75.581 -25.827 14.008 1.00 0.00 H new ATOM 0 HG23 THR A 6 74.845 -24.406 13.229 1.00 0.00 H new ATOM 113 N LYS A 7 76.879 -24.268 9.540 1.00 0.00 N ATOM 114 CA LYS A 7 76.990 -22.979 8.879 1.00 0.00 C ATOM 115 C LYS A 7 75.592 -22.384 8.694 1.00 0.00 C ATOM 116 O LYS A 7 74.596 -23.003 9.065 1.00 0.00 O ATOM 117 CB LYS A 7 77.779 -23.111 7.575 1.00 0.00 C ATOM 118 CG LYS A 7 77.121 -24.122 6.635 1.00 0.00 C ATOM 119 CD LYS A 7 77.948 -24.307 5.362 1.00 0.00 C ATOM 120 CE LYS A 7 77.416 -23.426 4.229 1.00 0.00 C ATOM 121 NZ LYS A 7 77.836 -23.962 2.915 1.00 0.00 N ATOM 0 H LYS A 7 77.200 -25.061 8.984 1.00 0.00 H new ATOM 0 HA LYS A 7 77.555 -22.282 9.497 1.00 0.00 H new ATOM 0 HB2 LYS A 7 77.841 -22.140 7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 7 78.800 -23.424 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.012 -25.080 7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.118 -23.783 6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 7 78.990 -24.058 5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 7 77.923 -25.353 5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.328 -23.378 4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.786 -22.408 4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 77.467 -23.353 2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 78.875 -23.985 2.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 77.462 -24.925 2.797 1.00 0.00 H new ATOM 134 N ALA A 8 75.563 -21.190 8.121 1.00 0.00 N ATOM 135 CA ALA A 8 74.305 -20.505 7.883 1.00 0.00 C ATOM 136 C ALA A 8 73.729 -20.957 6.539 1.00 0.00 C ATOM 137 O ALA A 8 73.789 -20.222 5.555 1.00 0.00 O ATOM 138 CB ALA A 8 74.527 -18.992 7.942 1.00 0.00 C ATOM 0 H ALA A 8 76.391 -20.680 7.815 1.00 0.00 H new ATOM 0 HA ALA A 8 73.579 -20.758 8.655 1.00 0.00 H new ATOM 0 HB1 ALA A 8 73.582 -18.478 7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 8 74.908 -18.718 8.926 1.00 0.00 H new ATOM 0 HB3 ALA A 8 75.249 -18.700 7.179 1.00 0.00 H new ATOM 144 N GLU A 9 73.185 -22.165 6.542 1.00 0.00 N ATOM 145 CA GLU A 9 72.599 -22.725 5.335 1.00 0.00 C ATOM 146 C GLU A 9 71.102 -22.414 5.279 1.00 0.00 C ATOM 147 O GLU A 9 70.338 -23.137 4.641 1.00 0.00 O ATOM 148 CB GLU A 9 72.850 -24.232 5.252 1.00 0.00 C ATOM 149 CG GLU A 9 73.591 -24.593 3.963 1.00 0.00 C ATOM 150 CD GLU A 9 72.608 -24.886 2.828 1.00 0.00 C ATOM 151 OE1 GLU A 9 71.764 -24.037 2.504 1.00 0.00 O ATOM 152 OE2 GLU A 9 72.743 -26.044 2.275 1.00 0.00 O ATOM 0 H GLU A 9 73.137 -22.772 7.361 1.00 0.00 H new ATOM 0 HA GLU A 9 73.079 -22.262 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 9 73.433 -24.555 6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 9 71.900 -24.765 5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 9 74.249 -23.773 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 9 74.223 -25.464 4.135 1.00 0.00 H new ATOM 160 N LYS A 10 70.727 -21.338 5.955 1.00 0.00 N ATOM 161 CA LYS A 10 69.335 -20.923 5.990 1.00 0.00 C ATOM 162 C LYS A 10 69.170 -19.639 5.173 1.00 0.00 C ATOM 163 O LYS A 10 68.175 -19.471 4.470 1.00 0.00 O ATOM 164 CB LYS A 10 68.849 -20.799 7.435 1.00 0.00 C ATOM 165 CG LYS A 10 69.950 -20.240 8.338 1.00 0.00 C ATOM 166 CD LYS A 10 69.356 -19.593 9.591 1.00 0.00 C ATOM 167 CE LYS A 10 68.767 -20.650 10.527 1.00 0.00 C ATOM 168 NZ LYS A 10 67.343 -20.893 10.204 1.00 0.00 N ATOM 0 H LYS A 10 71.363 -20.741 6.483 1.00 0.00 H new ATOM 0 HA LYS A 10 68.700 -21.679 5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.976 -20.147 7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.534 -21.776 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 10 70.631 -21.041 8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 10 70.538 -19.505 7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.128 -19.029 10.114 1.00 0.00 H new ATOM 0 HD3 LYS A 10 68.580 -18.883 9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 10 69.330 -21.579 10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 10 68.860 -20.320 11.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 66.782 -20.887 11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 66.999 -20.146 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 67.246 -21.817 9.737 1.00 0.00 H new ATOM 181 N HIS A 11 70.159 -18.767 5.295 1.00 0.00 N ATOM 182 CA HIS A 11 70.136 -17.504 4.577 1.00 0.00 C ATOM 183 C HIS A 11 68.722 -16.921 4.610 1.00 0.00 C ATOM 184 O HIS A 11 67.909 -17.203 3.730 1.00 0.00 O ATOM 185 CB HIS A 11 70.673 -17.677 3.155 1.00 0.00 C ATOM 186 CG HIS A 11 70.849 -16.380 2.402 1.00 0.00 C ATOM 187 ND1 HIS A 11 70.008 -15.988 1.375 1.00 0.00 N ATOM 188 CD2 HIS A 11 71.777 -15.389 2.539 1.00 0.00 C ATOM 189 CE1 HIS A 11 70.421 -14.814 0.921 1.00 0.00 C ATOM 190 NE2 HIS A 11 71.518 -14.445 1.643 1.00 0.00 N ATOM 0 H HIS A 11 70.982 -18.910 5.880 1.00 0.00 H new ATOM 0 HA HIS A 11 70.798 -16.790 5.068 1.00 0.00 H new ATOM 0 HB2 HIS A 11 71.633 -18.192 3.200 1.00 0.00 H new ATOM 0 HB3 HIS A 11 69.993 -18.320 2.597 1.00 0.00 H new ATOM 0 HD2 HIS A 11 72.585 -15.375 3.255 1.00 0.00 H new ATOM 0 HE1 HIS A 11 69.969 -14.248 0.120 1.00 0.00 H new ATOM 0 HE2 HIS A 11 72.051 -13.585 1.515 1.00 0.00 H new ATOM 198 N VAL A 12 68.471 -16.119 5.634 1.00 0.00 N ATOM 199 CA VAL A 12 67.169 -15.494 5.793 1.00 0.00 C ATOM 200 C VAL A 12 67.354 -13.993 6.030 1.00 0.00 C ATOM 201 O VAL A 12 67.354 -13.537 7.172 1.00 0.00 O ATOM 202 CB VAL A 12 66.391 -16.184 6.915 1.00 0.00 C ATOM 203 CG1 VAL A 12 66.100 -17.645 6.562 1.00 0.00 C ATOM 204 CG2 VAL A 12 67.138 -16.080 8.246 1.00 0.00 C ATOM 0 H VAL A 12 69.147 -15.888 6.362 1.00 0.00 H new ATOM 0 HA VAL A 12 66.577 -15.610 4.885 1.00 0.00 H new ATOM 0 HB VAL A 12 65.437 -15.669 7.026 1.00 0.00 H new ATOM 0 HG11 VAL A 12 65.546 -18.113 7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 12 65.507 -17.687 5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 12 67.039 -18.177 6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 12 66.563 -16.579 9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 12 68.114 -16.557 8.154 1.00 0.00 H new ATOM 0 HG23 VAL A 12 67.270 -15.030 8.508 1.00 0.00 H new ATOM 214 N HIS A 13 67.506 -13.268 4.932 1.00 0.00 N ATOM 215 CA HIS A 13 67.692 -11.829 5.006 1.00 0.00 C ATOM 216 C HIS A 13 66.377 -11.124 4.665 1.00 0.00 C ATOM 217 O HIS A 13 66.307 -10.366 3.699 1.00 0.00 O ATOM 218 CB HIS A 13 68.851 -11.384 4.113 1.00 0.00 C ATOM 219 CG HIS A 13 69.988 -10.730 4.862 1.00 0.00 C ATOM 220 ND1 HIS A 13 71.291 -11.191 4.800 1.00 0.00 N ATOM 221 CD2 HIS A 13 70.002 -9.645 5.689 1.00 0.00 C ATOM 222 CE1 HIS A 13 72.047 -10.413 5.560 1.00 0.00 C ATOM 223 NE2 HIS A 13 71.247 -9.456 6.111 1.00 0.00 N ATOM 0 H HIS A 13 67.504 -13.650 3.986 1.00 0.00 H new ATOM 0 HA HIS A 13 67.964 -11.546 6.023 1.00 0.00 H new ATOM 0 HB2 HIS A 13 69.235 -12.251 3.575 1.00 0.00 H new ATOM 0 HB3 HIS A 13 68.473 -10.686 3.366 1.00 0.00 H new ATOM 0 HD2 HIS A 13 69.146 -9.042 5.955 1.00 0.00 H new ATOM 0 HE1 HIS A 13 73.110 -10.518 5.716 1.00 0.00 H new ATOM 0 HE2 HIS A 13 71.554 -8.717 6.743 1.00 0.00 H new ATOM 231 N ASN A 14 65.368 -11.398 5.478 1.00 0.00 N ATOM 232 CA ASN A 14 64.059 -10.800 5.275 1.00 0.00 C ATOM 233 C ASN A 14 63.926 -9.562 6.164 1.00 0.00 C ATOM 234 O ASN A 14 62.819 -9.181 6.543 1.00 0.00 O ATOM 235 CB ASN A 14 62.943 -11.776 5.653 1.00 0.00 C ATOM 236 CG ASN A 14 61.833 -11.774 4.600 1.00 0.00 C ATOM 237 OD1 ASN A 14 60.944 -10.939 4.598 1.00 0.00 O ATOM 238 ND2 ASN A 14 61.934 -12.755 3.707 1.00 0.00 N ATOM 0 H ASN A 14 65.430 -12.026 6.279 1.00 0.00 H new ATOM 0 HA ASN A 14 63.967 -10.538 4.221 1.00 0.00 H new ATOM 0 HB2 ASN A 14 63.353 -12.781 5.753 1.00 0.00 H new ATOM 0 HB3 ASN A 14 62.529 -11.502 6.624 1.00 0.00 H new ATOM 0 HD21 ASN A 14 61.241 -12.841 2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 14 62.704 -13.421 3.766 1.00 0.00 H new ATOM 245 N PHE A 15 65.069 -8.967 6.471 1.00 0.00 N ATOM 246 CA PHE A 15 65.094 -7.780 7.309 1.00 0.00 C ATOM 247 C PHE A 15 64.190 -6.687 6.736 1.00 0.00 C ATOM 248 O PHE A 15 64.170 -6.463 5.527 1.00 0.00 O ATOM 249 CB PHE A 15 66.538 -7.275 7.325 1.00 0.00 C ATOM 250 CG PHE A 15 66.949 -6.607 8.639 1.00 0.00 C ATOM 251 CD1 PHE A 15 67.335 -7.369 9.697 1.00 0.00 C ATOM 252 CD2 PHE A 15 66.929 -5.251 8.748 1.00 0.00 C ATOM 253 CE1 PHE A 15 67.716 -6.749 10.916 1.00 0.00 C ATOM 254 CE2 PHE A 15 67.310 -4.632 9.967 1.00 0.00 C ATOM 255 CZ PHE A 15 67.695 -5.394 11.026 1.00 0.00 C ATOM 0 H PHE A 15 65.985 -9.285 6.154 1.00 0.00 H new ATOM 0 HA PHE A 15 64.737 -8.022 8.310 1.00 0.00 H new ATOM 0 HB2 PHE A 15 67.207 -8.113 7.130 1.00 0.00 H new ATOM 0 HB3 PHE A 15 66.672 -6.564 6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 15 67.352 -8.445 9.610 1.00 0.00 H new ATOM 0 HD2 PHE A 15 66.623 -4.646 7.907 1.00 0.00 H new ATOM 0 HE1 PHE A 15 68.023 -7.354 11.756 1.00 0.00 H new ATOM 0 HE2 PHE A 15 67.294 -3.556 10.054 1.00 0.00 H new ATOM 0 HZ PHE A 15 67.984 -4.923 11.954 1.00 0.00 H new ATOM 265 N MET A 16 63.464 -6.035 7.633 1.00 0.00 N ATOM 266 CA MET A 16 62.559 -4.970 7.232 1.00 0.00 C ATOM 267 C MET A 16 63.164 -4.133 6.103 1.00 0.00 C ATOM 268 O MET A 16 63.956 -3.226 6.354 1.00 0.00 O ATOM 269 CB MET A 16 62.266 -4.071 8.434 1.00 0.00 C ATOM 270 CG MET A 16 63.538 -3.798 9.239 1.00 0.00 C ATOM 271 SD MET A 16 63.595 -2.083 9.729 1.00 0.00 S ATOM 272 CE MET A 16 64.800 -2.176 11.043 1.00 0.00 C ATOM 0 H MET A 16 63.484 -6.223 8.635 1.00 0.00 H new ATOM 0 HA MET A 16 61.635 -5.420 6.870 1.00 0.00 H new ATOM 0 HB2 MET A 16 61.839 -3.128 8.092 1.00 0.00 H new ATOM 0 HB3 MET A 16 61.521 -4.545 9.074 1.00 0.00 H new ATOM 0 HG2 MET A 16 63.564 -4.438 10.121 1.00 0.00 H new ATOM 0 HG3 MET A 16 64.416 -4.043 8.641 1.00 0.00 H new ATOM 0 HE1 MET A 16 64.647 -1.349 11.736 1.00 0.00 H new ATOM 0 HE2 MET A 16 64.687 -3.121 11.574 1.00 0.00 H new ATOM 0 HE3 MET A 16 65.803 -2.115 10.622 1.00 0.00 H new ATOM 282 N MET A 17 62.768 -4.468 4.884 1.00 0.00 N ATOM 283 CA MET A 17 63.261 -3.759 3.715 1.00 0.00 C ATOM 284 C MET A 17 62.886 -2.276 3.775 1.00 0.00 C ATOM 285 O MET A 17 63.735 -1.409 3.575 1.00 0.00 O ATOM 286 CB MET A 17 62.670 -4.384 2.450 1.00 0.00 C ATOM 287 CG MET A 17 61.145 -4.253 2.435 1.00 0.00 C ATOM 288 SD MET A 17 60.453 -5.326 1.189 1.00 0.00 S ATOM 289 CE MET A 17 59.160 -4.271 0.554 1.00 0.00 C ATOM 0 H MET A 17 62.111 -5.221 4.680 1.00 0.00 H new ATOM 0 HA MET A 17 64.348 -3.840 3.696 1.00 0.00 H new ATOM 0 HB2 MET A 17 63.089 -3.897 1.569 1.00 0.00 H new ATOM 0 HB3 MET A 17 62.949 -5.436 2.395 1.00 0.00 H new ATOM 0 HG2 MET A 17 60.740 -4.510 3.414 1.00 0.00 H new ATOM 0 HG3 MET A 17 60.862 -3.220 2.234 1.00 0.00 H new ATOM 0 HE1 MET A 17 58.454 -4.868 -0.023 1.00 0.00 H new ATOM 0 HE2 MET A 17 58.639 -3.794 1.384 1.00 0.00 H new ATOM 0 HE3 MET A 17 59.597 -3.506 -0.088 1.00 0.00 H new ATOM 299 N ASP A 18 61.614 -2.032 4.052 1.00 0.00 N ATOM 300 CA ASP A 18 61.116 -0.669 4.141 1.00 0.00 C ATOM 301 C ASP A 18 61.739 0.171 3.024 1.00 0.00 C ATOM 302 O ASP A 18 62.702 0.901 3.255 1.00 0.00 O ATOM 303 CB ASP A 18 61.493 -0.031 5.479 1.00 0.00 C ATOM 304 CG ASP A 18 60.438 -0.163 6.579 1.00 0.00 C ATOM 305 OD1 ASP A 18 59.946 -1.265 6.863 1.00 0.00 O ATOM 306 OD2 ASP A 18 60.119 0.942 7.163 1.00 0.00 O ATOM 0 H ASP A 18 60.913 -2.754 4.218 1.00 0.00 H new ATOM 0 HA ASP A 18 60.030 -0.700 4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 18 62.421 -0.482 5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 18 61.695 1.028 5.315 1.00 0.00 H new ATOM 312 N THR A 19 61.165 0.039 1.837 1.00 0.00 N ATOM 313 CA THR A 19 61.652 0.777 0.684 1.00 0.00 C ATOM 314 C THR A 19 61.144 2.219 0.720 1.00 0.00 C ATOM 315 O THR A 19 61.839 3.137 0.288 1.00 0.00 O ATOM 316 CB THR A 19 61.233 0.016 -0.575 1.00 0.00 C ATOM 317 OG1 THR A 19 59.816 -0.090 -0.462 1.00 0.00 O ATOM 318 CG2 THR A 19 61.716 -1.435 -0.571 1.00 0.00 C ATOM 0 H THR A 19 60.367 -0.568 1.649 1.00 0.00 H new ATOM 0 HA THR A 19 62.740 0.849 0.691 1.00 0.00 H new ATOM 0 HB THR A 19 61.626 0.527 -1.454 1.00 0.00 H new ATOM 0 HG1 THR A 19 59.461 -0.569 -1.239 1.00 0.00 H new ATOM 0 HG21 THR A 19 61.391 -1.929 -1.487 1.00 0.00 H new ATOM 0 HG22 THR A 19 62.804 -1.456 -0.513 1.00 0.00 H new ATOM 0 HG23 THR A 19 61.297 -1.956 0.290 1.00 0.00 H new ATOM 326 N GLN A 20 59.935 2.374 1.240 1.00 0.00 N ATOM 327 CA GLN A 20 59.325 3.689 1.338 1.00 0.00 C ATOM 328 C GLN A 20 57.847 3.563 1.712 1.00 0.00 C ATOM 329 O GLN A 20 56.971 3.794 0.880 1.00 0.00 O ATOM 330 CB GLN A 20 59.496 4.472 0.035 1.00 0.00 C ATOM 331 CG GLN A 20 60.344 5.726 0.255 1.00 0.00 C ATOM 332 CD GLN A 20 60.629 6.435 -1.070 1.00 0.00 C ATOM 333 OE1 GLN A 20 60.740 5.823 -2.120 1.00 0.00 O ATOM 334 NE2 GLN A 20 60.742 7.756 -0.964 1.00 0.00 N ATOM 0 H GLN A 20 59.361 1.610 1.598 1.00 0.00 H new ATOM 0 HA GLN A 20 59.833 4.245 2.126 1.00 0.00 H new ATOM 0 HB2 GLN A 20 59.967 3.837 -0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 20 58.518 4.754 -0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 20 59.825 6.406 0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 20 61.284 5.454 0.735 1.00 0.00 H new ATOM 0 HE21 GLN A 20 60.638 8.205 -0.054 1.00 0.00 H new ATOM 0 HE22 GLN A 20 60.933 8.320 -1.792 1.00 0.00 H new ATOM 343 N LEU A 21 57.615 3.195 2.963 1.00 0.00 N ATOM 344 CA LEU A 21 56.258 3.035 3.457 1.00 0.00 C ATOM 345 C LEU A 21 55.420 4.243 3.035 1.00 0.00 C ATOM 346 O LEU A 21 54.521 4.120 2.204 1.00 0.00 O ATOM 347 CB LEU A 21 56.263 2.787 4.967 1.00 0.00 C ATOM 348 CG LEU A 21 57.253 3.623 5.781 1.00 0.00 C ATOM 349 CD1 LEU A 21 56.519 4.569 6.733 1.00 0.00 C ATOM 350 CD2 LEU A 21 58.251 2.728 6.518 1.00 0.00 C ATOM 0 H LEU A 21 58.344 3.003 3.650 1.00 0.00 H new ATOM 0 HA LEU A 21 55.793 2.154 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 21 55.260 2.974 5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 21 56.479 1.733 5.141 1.00 0.00 H new ATOM 0 HG LEU A 21 57.826 4.242 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 21 57.246 5.151 7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 21 55.883 5.242 6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 21 55.904 3.988 7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 21 58.943 3.348 7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 21 57.714 2.065 7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 21 58.809 2.133 5.795 1.00 0.00 H new ATOM 362 N THR A 22 55.745 5.384 3.626 1.00 0.00 N ATOM 363 CA THR A 22 55.033 6.614 3.321 1.00 0.00 C ATOM 364 C THR A 22 53.541 6.333 3.130 1.00 0.00 C ATOM 365 O THR A 22 53.098 6.045 2.020 1.00 0.00 O ATOM 366 CB THR A 22 55.694 7.251 2.098 1.00 0.00 C ATOM 367 OG1 THR A 22 57.077 6.944 2.249 1.00 0.00 O ATOM 368 CG2 THR A 22 55.645 8.780 2.136 1.00 0.00 C ATOM 0 H THR A 22 56.491 5.483 4.314 1.00 0.00 H new ATOM 0 HA THR A 22 55.094 7.323 4.147 1.00 0.00 H new ATOM 0 HB THR A 22 55.202 6.894 1.193 1.00 0.00 H new ATOM 0 HG1 THR A 22 57.580 7.319 1.496 1.00 0.00 H new ATOM 0 HG21 THR A 22 56.128 9.182 1.245 1.00 0.00 H new ATOM 0 HG22 THR A 22 54.607 9.110 2.166 1.00 0.00 H new ATOM 0 HG23 THR A 22 56.166 9.139 3.024 1.00 0.00 H new ATOM 376 N LYS A 23 52.808 6.427 4.230 1.00 0.00 N ATOM 377 CA LYS A 23 51.376 6.187 4.197 1.00 0.00 C ATOM 378 C LYS A 23 50.713 7.211 3.273 1.00 0.00 C ATOM 379 O LYS A 23 51.329 8.209 2.902 1.00 0.00 O ATOM 380 CB LYS A 23 50.802 6.176 5.615 1.00 0.00 C ATOM 381 CG LYS A 23 50.562 7.601 6.121 1.00 0.00 C ATOM 382 CD LYS A 23 51.249 7.826 7.470 1.00 0.00 C ATOM 383 CE LYS A 23 50.515 8.892 8.286 1.00 0.00 C ATOM 384 NZ LYS A 23 51.477 9.693 9.076 1.00 0.00 N ATOM 0 H LYS A 23 53.179 6.666 5.149 1.00 0.00 H new ATOM 0 HA LYS A 23 51.164 5.201 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 23 49.865 5.619 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 23 51.489 5.659 6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 23 50.940 8.318 5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 23 49.491 7.780 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 23 51.277 6.890 8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 23 52.283 8.133 7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 23 49.951 9.544 7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 23 49.795 8.417 8.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 50.963 10.412 9.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 51.997 9.069 9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 52.148 10.162 8.434 1.00 0.00 H new ATOM 397 N ARG A 24 49.465 6.928 2.928 1.00 0.00 N ATOM 398 CA ARG A 24 48.712 7.811 2.054 1.00 0.00 C ATOM 399 C ARG A 24 47.249 7.876 2.498 1.00 0.00 C ATOM 400 O ARG A 24 46.762 6.973 3.177 1.00 0.00 O ATOM 401 CB ARG A 24 48.776 7.335 0.601 1.00 0.00 C ATOM 402 CG ARG A 24 50.004 7.907 -0.110 1.00 0.00 C ATOM 403 CD ARG A 24 50.110 7.369 -1.538 1.00 0.00 C ATOM 404 NE ARG A 24 50.454 5.930 -1.513 1.00 0.00 N ATOM 405 CZ ARG A 24 50.296 5.095 -2.562 1.00 0.00 C ATOM 406 NH1 ARG A 24 49.797 5.551 -3.731 1.00 0.00 N ATOM 407 NH2 ARG A 24 50.636 3.827 -2.428 1.00 0.00 N ATOM 0 H ARG A 24 48.957 6.100 3.238 1.00 0.00 H new ATOM 0 HA ARG A 24 49.160 8.803 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 24 48.809 6.246 0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 24 47.872 7.640 0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 24 49.943 8.995 -0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 24 50.904 7.649 0.447 1.00 0.00 H new ATOM 0 HD2 ARG A 24 49.166 7.516 -2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 24 50.870 7.923 -2.089 1.00 0.00 H new ATOM 0 HE ARG A 24 50.835 5.545 -0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 24 49.536 6.533 -3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 24 49.681 4.914 -4.519 1.00 0.00 H new ATOM 0 HH21 ARG A 24 51.012 3.491 -1.541 1.00 0.00 H new ATOM 0 HH22 ARG A 24 50.523 3.183 -3.211 1.00 0.00 H new ATOM 420 N VAL A 25 46.589 8.953 2.097 1.00 0.00 N ATOM 421 CA VAL A 25 45.192 9.147 2.445 1.00 0.00 C ATOM 422 C VAL A 25 44.957 8.668 3.879 1.00 0.00 C ATOM 423 O VAL A 25 44.309 7.645 4.097 1.00 0.00 O ATOM 424 CB VAL A 25 44.296 8.444 1.425 1.00 0.00 C ATOM 425 CG1 VAL A 25 44.711 6.982 1.246 1.00 0.00 C ATOM 426 CG2 VAL A 25 42.822 8.550 1.824 1.00 0.00 C ATOM 0 H VAL A 25 46.996 9.700 1.534 1.00 0.00 H new ATOM 0 HA VAL A 25 44.933 10.205 2.409 1.00 0.00 H new ATOM 0 HB VAL A 25 44.421 8.948 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 25 44.058 6.505 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 25 45.742 6.937 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 25 44.629 6.461 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 25 42.207 8.042 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 25 42.674 8.084 2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 25 42.534 9.600 1.877 1.00 0.00 H new ATOM 436 N LYS A 26 45.496 9.429 4.820 1.00 0.00 N ATOM 437 CA LYS A 26 45.353 9.095 6.227 1.00 0.00 C ATOM 438 C LYS A 26 46.204 7.863 6.543 1.00 0.00 C ATOM 439 O LYS A 26 47.265 7.977 7.153 1.00 0.00 O ATOM 440 CB LYS A 26 43.876 8.933 6.591 1.00 0.00 C ATOM 441 CG LYS A 26 43.080 10.187 6.225 1.00 0.00 C ATOM 442 CD LYS A 26 42.405 10.029 4.861 1.00 0.00 C ATOM 443 CE LYS A 26 41.231 10.999 4.715 1.00 0.00 C ATOM 444 NZ LYS A 26 41.571 12.085 3.768 1.00 0.00 N ATOM 0 H LYS A 26 46.033 10.276 4.636 1.00 0.00 H new ATOM 0 HA LYS A 26 45.724 9.907 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 26 43.462 8.070 6.069 1.00 0.00 H new ATOM 0 HB3 LYS A 26 43.780 8.736 7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 26 42.326 10.379 6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 26 43.744 11.051 6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 26 43.131 10.210 4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 26 42.052 9.005 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 26 40.350 10.463 4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 26 40.978 11.422 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 40.764 12.735 3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 42.398 12.607 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 41.790 11.677 2.837 1.00 0.00 H new ATOM 457 N ASN A 27 45.705 6.713 6.112 1.00 0.00 N ATOM 458 CA ASN A 27 46.406 5.461 6.342 1.00 0.00 C ATOM 459 C ASN A 27 45.709 4.342 5.566 1.00 0.00 C ATOM 460 O ASN A 27 44.978 3.541 6.147 1.00 0.00 O ATOM 461 CB ASN A 27 46.393 5.087 7.825 1.00 0.00 C ATOM 462 CG ASN A 27 46.827 3.633 8.027 1.00 0.00 C ATOM 463 OD1 ASN A 27 46.019 2.739 8.216 1.00 0.00 O ATOM 464 ND2 ASN A 27 48.143 3.449 7.978 1.00 0.00 N ATOM 0 H ASN A 27 44.824 6.622 5.605 1.00 0.00 H new ATOM 0 HA ASN A 27 47.437 5.586 6.011 1.00 0.00 H new ATOM 0 HB2 ASN A 27 47.060 5.749 8.377 1.00 0.00 H new ATOM 0 HB3 ASN A 27 45.392 5.232 8.232 1.00 0.00 H new ATOM 0 HD21 ASN A 27 48.532 2.514 8.102 1.00 0.00 H new ATOM 0 HD22 ASN A 27 48.763 4.242 7.816 1.00 0.00 H new ATOM 471 N ALA A 28 45.959 4.323 4.265 1.00 0.00 N ATOM 472 CA ALA A 28 45.365 3.315 3.403 1.00 0.00 C ATOM 473 C ALA A 28 43.934 3.730 3.053 1.00 0.00 C ATOM 474 O ALA A 28 43.261 3.054 2.276 1.00 0.00 O ATOM 475 CB ALA A 28 45.424 1.952 4.096 1.00 0.00 C ATOM 0 H ALA A 28 46.565 4.990 3.787 1.00 0.00 H new ATOM 0 HA ALA A 28 45.922 3.230 2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 28 44.979 1.196 3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.463 1.691 4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.873 1.997 5.035 1.00 0.00 H new ATOM 481 N ALA A 29 43.512 4.839 3.641 1.00 0.00 N ATOM 482 CA ALA A 29 42.174 5.352 3.401 1.00 0.00 C ATOM 483 C ALA A 29 41.191 4.663 4.349 1.00 0.00 C ATOM 484 O ALA A 29 40.055 4.378 3.972 1.00 0.00 O ATOM 485 CB ALA A 29 41.806 5.147 1.930 1.00 0.00 C ATOM 0 H ALA A 29 44.074 5.397 4.284 1.00 0.00 H new ATOM 0 HA ALA A 29 42.131 6.422 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 29 40.802 5.532 1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 29 42.518 5.679 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 29 41.835 4.084 1.692 1.00 0.00 H new ATOM 491 N ALA A 30 41.663 4.415 5.562 1.00 0.00 N ATOM 492 CA ALA A 30 40.840 3.765 6.568 1.00 0.00 C ATOM 493 C ALA A 30 39.492 4.485 6.660 1.00 0.00 C ATOM 494 O ALA A 30 39.396 5.554 7.260 1.00 0.00 O ATOM 495 CB ALA A 30 41.584 3.748 7.904 1.00 0.00 C ATOM 0 H ALA A 30 42.606 4.653 5.871 1.00 0.00 H new ATOM 0 HA ALA A 30 40.643 2.729 6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 30 40.966 3.260 8.658 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.520 3.201 7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 30 41.797 4.771 8.215 1.00 0.00 H new ATOM 501 N ASN A 31 38.486 3.869 6.057 1.00 0.00 N ATOM 502 CA ASN A 31 37.149 4.437 6.064 1.00 0.00 C ATOM 503 C ASN A 31 37.190 5.835 5.442 1.00 0.00 C ATOM 504 O ASN A 31 36.269 6.628 5.627 1.00 0.00 O ATOM 505 CB ASN A 31 36.614 4.571 7.491 1.00 0.00 C ATOM 506 CG ASN A 31 37.101 3.416 8.369 1.00 0.00 C ATOM 507 OD1 ASN A 31 37.630 2.423 7.897 1.00 0.00 O ATOM 508 ND2 ASN A 31 36.893 3.601 9.669 1.00 0.00 N ATOM 0 H ASN A 31 38.570 2.982 5.560 1.00 0.00 H new ATOM 0 HA ASN A 31 36.498 3.773 5.496 1.00 0.00 H new ATOM 0 HB2 ASN A 31 36.940 5.520 7.918 1.00 0.00 H new ATOM 0 HB3 ASN A 31 35.524 4.586 7.475 1.00 0.00 H new ATOM 0 HD21 ASN A 31 37.182 2.888 10.338 1.00 0.00 H new ATOM 0 HD22 ASN A 31 36.444 4.456 9.997 1.00 0.00 H new ATOM 515 N VAL A 32 38.269 6.093 4.717 1.00 0.00 N ATOM 516 CA VAL A 32 38.442 7.381 4.066 1.00 0.00 C ATOM 517 C VAL A 32 38.269 8.496 5.099 1.00 0.00 C ATOM 518 O VAL A 32 38.012 9.645 4.741 1.00 0.00 O ATOM 519 CB VAL A 32 37.477 7.505 2.885 1.00 0.00 C ATOM 520 CG1 VAL A 32 36.976 6.130 2.441 1.00 0.00 C ATOM 521 CG2 VAL A 32 36.308 8.431 3.228 1.00 0.00 C ATOM 0 H VAL A 32 39.032 5.433 4.566 1.00 0.00 H new ATOM 0 HA VAL A 32 39.448 7.470 3.656 1.00 0.00 H new ATOM 0 HB VAL A 32 38.022 7.948 2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 32 36.292 6.246 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 32 37.823 5.515 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 32 36.456 5.648 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.637 8.502 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.764 8.029 4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 32 36.689 9.422 3.474 1.00 0.00 H new ATOM 531 N LEU A 33 38.418 8.119 6.361 1.00 0.00 N ATOM 532 CA LEU A 33 38.282 9.074 7.448 1.00 0.00 C ATOM 533 C LEU A 33 36.813 9.481 7.582 1.00 0.00 C ATOM 534 O LEU A 33 36.208 9.298 8.637 1.00 0.00 O ATOM 535 CB LEU A 33 39.231 10.256 7.245 1.00 0.00 C ATOM 536 CG LEU A 33 39.748 10.928 8.520 1.00 0.00 C ATOM 537 CD1 LEU A 33 38.591 11.480 9.355 1.00 0.00 C ATOM 538 CD2 LEU A 33 40.630 9.971 9.324 1.00 0.00 C ATOM 0 H LEU A 33 38.631 7.166 6.655 1.00 0.00 H new ATOM 0 HA LEU A 33 38.575 8.619 8.394 1.00 0.00 H new ATOM 0 HB2 LEU A 33 40.088 9.913 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 33 38.720 11.008 6.643 1.00 0.00 H new ATOM 0 HG LEU A 33 40.371 11.775 8.233 1.00 0.00 H new ATOM 0 HD11 LEU A 33 38.985 11.952 10.255 1.00 0.00 H new ATOM 0 HD12 LEU A 33 38.039 12.216 8.771 1.00 0.00 H new ATOM 0 HD13 LEU A 33 37.923 10.665 9.635 1.00 0.00 H new ATOM 0 HD21 LEU A 33 40.984 10.473 10.225 1.00 0.00 H new ATOM 0 HD22 LEU A 33 40.051 9.090 9.603 1.00 0.00 H new ATOM 0 HD23 LEU A 33 41.484 9.667 8.718 1.00 0.00 H new ATOM 550 N ARG A 34 36.281 10.026 6.497 1.00 0.00 N ATOM 551 CA ARG A 34 34.895 10.460 6.481 1.00 0.00 C ATOM 552 C ARG A 34 33.976 9.320 6.923 1.00 0.00 C ATOM 553 O ARG A 34 32.971 9.552 7.593 1.00 0.00 O ATOM 554 CB ARG A 34 34.481 10.927 5.084 1.00 0.00 C ATOM 555 CG ARG A 34 35.173 12.241 4.717 1.00 0.00 C ATOM 556 CD ARG A 34 34.373 13.443 5.224 1.00 0.00 C ATOM 557 NE ARG A 34 34.705 13.712 6.641 1.00 0.00 N ATOM 558 CZ ARG A 34 35.736 14.485 7.043 1.00 0.00 C ATOM 559 NH1 ARG A 34 36.545 15.073 6.136 1.00 0.00 N ATOM 560 NH2 ARG A 34 35.941 14.657 8.335 1.00 0.00 N ATOM 0 H ARG A 34 36.785 10.177 5.623 1.00 0.00 H new ATOM 0 HA ARG A 34 34.801 11.296 7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 34 34.735 10.161 4.351 1.00 0.00 H new ATOM 0 HB3 ARG A 34 33.400 11.059 5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 34 36.175 12.260 5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 34 35.287 12.306 3.635 1.00 0.00 H new ATOM 0 HD2 ARG A 34 34.596 14.321 4.617 1.00 0.00 H new ATOM 0 HD3 ARG A 34 33.305 13.248 5.123 1.00 0.00 H new ATOM 0 HE ARG A 34 34.118 13.287 7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 34 36.379 14.935 5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 34 37.322 15.656 6.448 1.00 0.00 H new ATOM 0 HH21 ARG A 34 35.325 14.209 9.013 1.00 0.00 H new ATOM 0 HH22 ARG A 34 36.716 15.238 8.656 1.00 0.00 H new ATOM 573 N GLU A 35 34.353 8.112 6.530 1.00 0.00 N ATOM 574 CA GLU A 35 33.575 6.935 6.878 1.00 0.00 C ATOM 575 C GLU A 35 32.085 7.199 6.656 1.00 0.00 C ATOM 576 O GLU A 35 31.305 7.212 7.607 1.00 0.00 O ATOM 577 CB GLU A 35 33.847 6.505 8.320 1.00 0.00 C ATOM 578 CG GLU A 35 33.566 7.649 9.296 1.00 0.00 C ATOM 579 CD GLU A 35 33.689 7.176 10.746 1.00 0.00 C ATOM 580 OE1 GLU A 35 34.791 6.821 11.191 1.00 0.00 O ATOM 581 OE2 GLU A 35 32.588 7.186 11.418 1.00 0.00 O ATOM 0 H GLU A 35 35.187 7.923 5.974 1.00 0.00 H new ATOM 0 HA GLU A 35 33.880 6.116 6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 35 33.224 5.647 8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 35 34.884 6.185 8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 35 34.265 8.466 9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 35 32.565 8.043 9.122 1.00 0.00 H new ATOM 589 N THR A 36 31.734 7.405 5.395 1.00 0.00 N ATOM 590 CA THR A 36 30.351 7.668 5.036 1.00 0.00 C ATOM 591 C THR A 36 29.738 6.449 4.345 1.00 0.00 C ATOM 592 O THR A 36 28.526 6.391 4.138 1.00 0.00 O ATOM 593 CB THR A 36 30.318 8.934 4.178 1.00 0.00 C ATOM 594 OG1 THR A 36 31.576 8.932 3.508 1.00 0.00 O ATOM 595 CG2 THR A 36 30.344 10.212 5.018 1.00 0.00 C ATOM 0 H THR A 36 32.384 7.395 4.609 1.00 0.00 H new ATOM 0 HA THR A 36 29.739 7.842 5.921 1.00 0.00 H new ATOM 0 HB THR A 36 29.423 8.928 3.556 1.00 0.00 H new ATOM 0 HG1 THR A 36 31.639 9.719 2.928 1.00 0.00 H new ATOM 0 HG21 THR A 36 30.319 11.081 4.360 1.00 0.00 H new ATOM 0 HG22 THR A 36 29.477 10.231 5.678 1.00 0.00 H new ATOM 0 HG23 THR A 36 31.255 10.236 5.616 1.00 0.00 H new ATOM 603 N TRP A 37 30.602 5.503 4.006 1.00 0.00 N ATOM 604 CA TRP A 37 30.161 4.289 3.342 1.00 0.00 C ATOM 605 C TRP A 37 29.904 3.230 4.416 1.00 0.00 C ATOM 606 O TRP A 37 29.318 2.185 4.136 1.00 0.00 O ATOM 607 CB TRP A 37 31.176 3.839 2.290 1.00 0.00 C ATOM 608 CG TRP A 37 32.092 4.958 1.791 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.377 5.174 2.105 1.00 0.00 C ATOM 610 CD2 TRP A 37 31.739 6.012 0.871 1.00 0.00 C ATOM 611 NE1 TRP A 37 33.876 6.286 1.457 1.00 0.00 N ATOM 612 CE2 TRP A 37 32.848 6.812 0.682 1.00 0.00 C ATOM 613 CE3 TRP A 37 30.523 6.281 0.219 1.00 0.00 C ATOM 614 CZ2 TRP A 37 32.852 7.933 -0.156 1.00 0.00 C ATOM 615 CZ3 TRP A 37 30.543 7.405 -0.616 1.00 0.00 C ATOM 616 CH2 TRP A 37 31.651 8.220 -0.816 1.00 0.00 C ATOM 0 H TRP A 37 31.606 5.553 4.179 1.00 0.00 H new ATOM 0 HA TRP A 37 29.234 4.463 2.795 1.00 0.00 H new ATOM 0 HB2 TRP A 37 31.789 3.041 2.709 1.00 0.00 H new ATOM 0 HB3 TRP A 37 30.640 3.416 1.440 1.00 0.00 H new ATOM 0 HD1 TRP A 37 33.950 4.556 2.780 1.00 0.00 H new ATOM 0 HE1 TRP A 37 34.824 6.654 1.533 1.00 0.00 H new ATOM 0 HE3 TRP A 37 29.643 5.669 0.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 33.733 8.543 -0.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 29.634 7.656 -1.142 1.00 0.00 H new ATOM 0 HH2 TRP A 37 31.586 9.071 -1.478 1.00 0.00 H new ATOM 627 N LEU A 38 30.355 3.536 5.624 1.00 0.00 N ATOM 628 CA LEU A 38 30.182 2.623 6.741 1.00 0.00 C ATOM 629 C LEU A 38 28.902 2.987 7.497 1.00 0.00 C ATOM 630 O LEU A 38 28.071 2.122 7.769 1.00 0.00 O ATOM 631 CB LEU A 38 31.433 2.610 7.621 1.00 0.00 C ATOM 632 CG LEU A 38 32.773 2.563 6.883 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.800 1.417 5.870 1.00 0.00 C ATOM 634 CD2 LEU A 38 33.087 3.912 6.231 1.00 0.00 C ATOM 0 H LEU A 38 30.840 4.404 5.853 1.00 0.00 H new ATOM 0 HA LEU A 38 30.062 1.601 6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.419 3.499 8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.376 1.748 8.285 1.00 0.00 H new ATOM 0 HG LEU A 38 33.559 2.367 7.612 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.763 1.406 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.653 0.470 6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.003 1.558 5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 38 34.044 3.852 5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.303 4.162 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.138 4.684 6.999 1.00 0.00 H new ATOM 646 N ILE A 39 28.785 4.268 7.815 1.00 0.00 N ATOM 647 CA ILE A 39 27.621 4.756 8.534 1.00 0.00 C ATOM 648 C ILE A 39 26.514 5.095 7.534 1.00 0.00 C ATOM 649 O ILE A 39 25.465 5.614 7.915 1.00 0.00 O ATOM 650 CB ILE A 39 28.005 5.924 9.445 1.00 0.00 C ATOM 651 CG1 ILE A 39 28.669 7.047 8.646 1.00 0.00 C ATOM 652 CG2 ILE A 39 28.882 5.449 10.605 1.00 0.00 C ATOM 653 CD1 ILE A 39 27.829 8.325 8.694 1.00 0.00 C ATOM 0 H ILE A 39 29.477 4.982 7.588 1.00 0.00 H new ATOM 0 HA ILE A 39 27.229 3.982 9.194 1.00 0.00 H new ATOM 0 HB ILE A 39 27.093 6.334 9.878 1.00 0.00 H new ATOM 0 HG12 ILE A 39 29.663 7.245 9.048 1.00 0.00 H new ATOM 0 HG13 ILE A 39 28.801 6.733 7.611 1.00 0.00 H new ATOM 0 HG21 ILE A 39 29.141 6.298 11.237 1.00 0.00 H new ATOM 0 HG22 ILE A 39 28.338 4.711 11.194 1.00 0.00 H new ATOM 0 HG23 ILE A 39 29.793 4.999 10.211 1.00 0.00 H new ATOM 0 HD11 ILE A 39 28.324 9.107 8.118 1.00 0.00 H new ATOM 0 HD12 ILE A 39 26.844 8.129 8.269 1.00 0.00 H new ATOM 0 HD13 ILE A 39 27.720 8.650 9.729 1.00 0.00 H new ATOM 665 N TYR A 40 26.784 4.787 6.274 1.00 0.00 N ATOM 666 CA TYR A 40 25.824 5.051 5.216 1.00 0.00 C ATOM 667 C TYR A 40 24.447 4.486 5.571 1.00 0.00 C ATOM 668 O TYR A 40 24.334 3.609 6.426 1.00 0.00 O ATOM 669 CB TYR A 40 26.354 4.330 3.975 1.00 0.00 C ATOM 670 CG TYR A 40 26.090 2.823 3.972 1.00 0.00 C ATOM 671 CD1 TYR A 40 26.576 2.035 4.996 1.00 0.00 C ATOM 672 CD2 TYR A 40 25.368 2.251 2.944 1.00 0.00 C ATOM 673 CE1 TYR A 40 26.328 0.617 4.992 1.00 0.00 C ATOM 674 CE2 TYR A 40 25.120 0.833 2.941 1.00 0.00 C ATOM 675 CZ TYR A 40 25.612 0.086 3.965 1.00 0.00 C ATOM 676 OH TYR A 40 25.378 -1.254 3.962 1.00 0.00 O ATOM 0 H TYR A 40 27.655 4.357 5.962 1.00 0.00 H new ATOM 0 HA TYR A 40 25.711 6.124 5.059 1.00 0.00 H new ATOM 0 HB2 TYR A 40 25.898 4.770 3.089 1.00 0.00 H new ATOM 0 HB3 TYR A 40 27.428 4.501 3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 40 27.142 2.482 5.800 1.00 0.00 H new ATOM 0 HD2 TYR A 40 24.989 2.867 2.142 1.00 0.00 H new ATOM 0 HE1 TYR A 40 26.702 -0.011 5.787 1.00 0.00 H new ATOM 0 HE2 TYR A 40 24.556 0.373 2.143 1.00 0.00 H new ATOM 0 HH TYR A 40 24.854 -1.493 3.169 1.00 0.00 H new ATOM 686 N LYS A 41 23.435 5.012 4.897 1.00 0.00 N ATOM 687 CA LYS A 41 22.071 4.571 5.130 1.00 0.00 C ATOM 688 C LYS A 41 21.786 3.334 4.276 1.00 0.00 C ATOM 689 O LYS A 41 22.709 2.627 3.874 1.00 0.00 O ATOM 690 CB LYS A 41 21.088 5.720 4.895 1.00 0.00 C ATOM 691 CG LYS A 41 21.000 6.071 3.409 1.00 0.00 C ATOM 692 CD LYS A 41 20.912 7.585 3.207 1.00 0.00 C ATOM 693 CE LYS A 41 21.297 7.971 1.777 1.00 0.00 C ATOM 694 NZ LYS A 41 22.543 8.769 1.774 1.00 0.00 N ATOM 0 H LYS A 41 23.533 5.740 4.189 1.00 0.00 H new ATOM 0 HA LYS A 41 21.939 4.277 6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.102 5.441 5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 41 21.405 6.596 5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.874 5.681 2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.126 5.591 2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.898 7.925 3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.572 8.089 3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.432 7.072 1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.490 8.543 1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.790 9.023 0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 22.402 9.636 2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 23.314 8.210 2.192 1.00 0.00 H new ATOM 707 N ASN A 42 20.505 3.111 4.023 1.00 0.00 N ATOM 708 CA ASN A 42 20.087 1.972 3.224 1.00 0.00 C ATOM 709 C ASN A 42 18.901 2.377 2.346 1.00 0.00 C ATOM 710 O ASN A 42 18.950 2.234 1.125 1.00 0.00 O ATOM 711 CB ASN A 42 19.641 0.809 4.112 1.00 0.00 C ATOM 712 CG ASN A 42 20.336 -0.492 3.704 1.00 0.00 C ATOM 713 OD1 ASN A 42 19.754 -1.370 3.088 1.00 0.00 O ATOM 714 ND2 ASN A 42 21.610 -0.565 4.079 1.00 0.00 N ATOM 0 H ASN A 42 19.742 3.700 4.357 1.00 0.00 H new ATOM 0 HA ASN A 42 20.936 1.658 2.617 1.00 0.00 H new ATOM 0 HB2 ASN A 42 19.868 1.035 5.154 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.560 0.686 4.040 1.00 0.00 H new ATOM 0 HD21 ASN A 42 22.162 -1.393 3.853 1.00 0.00 H new ATOM 0 HD22 ASN A 42 22.035 0.207 4.593 1.00 0.00 H new ATOM 721 N THR A 43 17.864 2.876 3.002 1.00 0.00 N ATOM 722 CA THR A 43 16.668 3.304 2.296 1.00 0.00 C ATOM 723 C THR A 43 15.706 4.007 3.256 1.00 0.00 C ATOM 724 O THR A 43 15.269 5.127 2.993 1.00 0.00 O ATOM 725 CB THR A 43 16.058 2.078 1.614 1.00 0.00 C ATOM 726 OG1 THR A 43 14.812 2.547 1.107 1.00 0.00 O ATOM 727 CG2 THR A 43 15.666 0.987 2.612 1.00 0.00 C ATOM 0 H THR A 43 17.827 2.994 4.015 1.00 0.00 H new ATOM 0 HA THR A 43 16.904 4.038 1.526 1.00 0.00 H new ATOM 0 HB THR A 43 16.769 1.673 0.894 1.00 0.00 H new ATOM 0 HG1 THR A 43 14.350 1.815 0.647 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.238 0.140 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 43 16.550 0.661 3.160 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.930 1.382 3.312 1.00 0.00 H new ATOM 735 N LYS A 44 15.404 3.321 4.349 1.00 0.00 N ATOM 736 CA LYS A 44 14.501 3.866 5.349 1.00 0.00 C ATOM 737 C LYS A 44 13.204 4.312 4.670 1.00 0.00 C ATOM 738 O LYS A 44 13.084 5.461 4.248 1.00 0.00 O ATOM 739 CB LYS A 44 15.191 4.975 6.146 1.00 0.00 C ATOM 740 CG LYS A 44 15.508 4.512 7.569 1.00 0.00 C ATOM 741 CD LYS A 44 14.342 4.807 8.514 1.00 0.00 C ATOM 742 CE LYS A 44 14.846 5.340 9.857 1.00 0.00 C ATOM 743 NZ LYS A 44 14.705 4.309 10.910 1.00 0.00 N ATOM 0 H LYS A 44 15.769 2.393 4.564 1.00 0.00 H new ATOM 0 HA LYS A 44 14.233 3.101 6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.111 5.271 5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.550 5.856 6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.719 3.443 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.407 5.014 7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.674 5.537 8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.760 3.899 8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.891 5.637 9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.284 6.232 10.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.052 4.687 11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.704 4.045 11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.261 3.469 10.650 1.00 0.00 H new ATOM 756 N LEU A 45 12.267 3.380 4.587 1.00 0.00 N ATOM 757 CA LEU A 45 10.983 3.663 3.967 1.00 0.00 C ATOM 758 C LEU A 45 9.925 3.844 5.056 1.00 0.00 C ATOM 759 O LEU A 45 8.959 3.085 5.122 1.00 0.00 O ATOM 760 CB LEU A 45 10.633 2.581 2.943 1.00 0.00 C ATOM 761 CG LEU A 45 10.531 1.153 3.484 1.00 0.00 C ATOM 762 CD1 LEU A 45 9.370 0.401 2.831 1.00 0.00 C ATOM 763 CD2 LEU A 45 11.859 0.410 3.324 1.00 0.00 C ATOM 0 H LEU A 45 12.371 2.428 4.938 1.00 0.00 H new ATOM 0 HA LEU A 45 11.028 4.597 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.681 2.842 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.386 2.597 2.155 1.00 0.00 H new ATOM 0 HG LEU A 45 10.319 1.206 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.320 -0.611 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.436 0.922 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.526 0.356 1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.759 -0.602 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.126 0.365 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.639 0.937 3.874 1.00 0.00 H new ATOM 775 N VAL A 46 10.141 4.856 5.885 1.00 0.00 N ATOM 776 CA VAL A 46 9.218 5.147 6.968 1.00 0.00 C ATOM 777 C VAL A 46 7.882 5.610 6.383 1.00 0.00 C ATOM 778 O VAL A 46 7.555 6.795 6.435 1.00 0.00 O ATOM 779 CB VAL A 46 9.838 6.168 7.924 1.00 0.00 C ATOM 780 CG1 VAL A 46 11.109 5.612 8.570 1.00 0.00 C ATOM 781 CG2 VAL A 46 10.120 7.490 7.207 1.00 0.00 C ATOM 0 H VAL A 46 10.942 5.484 5.828 1.00 0.00 H new ATOM 0 HA VAL A 46 9.022 4.249 7.555 1.00 0.00 H new ATOM 0 HB VAL A 46 9.117 6.365 8.718 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.530 6.357 9.245 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.867 4.710 9.131 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.837 5.373 7.794 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.560 8.198 7.909 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.813 7.317 6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.188 7.898 6.817 1.00 0.00 H new ATOM 791 N LYS A 47 7.146 4.652 5.839 1.00 0.00 N ATOM 792 CA LYS A 47 5.854 4.947 5.245 1.00 0.00 C ATOM 793 C LYS A 47 4.825 5.165 6.356 1.00 0.00 C ATOM 794 O LYS A 47 4.891 4.524 7.403 1.00 0.00 O ATOM 795 CB LYS A 47 5.460 3.854 4.248 1.00 0.00 C ATOM 796 CG LYS A 47 5.921 4.210 2.834 1.00 0.00 C ATOM 797 CD LYS A 47 6.948 3.199 2.320 1.00 0.00 C ATOM 798 CE LYS A 47 7.856 3.829 1.263 1.00 0.00 C ATOM 799 NZ LYS A 47 8.444 2.784 0.395 1.00 0.00 N ATOM 0 H LYS A 47 7.420 3.670 5.797 1.00 0.00 H new ATOM 0 HA LYS A 47 5.902 5.870 4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.902 2.905 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.378 3.720 4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.062 4.234 2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.356 5.209 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.551 2.833 3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.434 2.337 1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.285 4.534 0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.650 4.396 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.470 2.933 0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.260 1.847 0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.015 2.837 -0.551 1.00 0.00 H new ATOM 812 N LYS A 48 3.897 6.073 6.089 1.00 0.00 N ATOM 813 CA LYS A 48 2.856 6.384 7.053 1.00 0.00 C ATOM 814 C LYS A 48 2.079 5.109 7.387 1.00 0.00 C ATOM 815 O LYS A 48 1.283 4.633 6.579 1.00 0.00 O ATOM 816 CB LYS A 48 1.974 7.525 6.540 1.00 0.00 C ATOM 817 CG LYS A 48 1.501 7.252 5.110 1.00 0.00 C ATOM 818 CD LYS A 48 -0.001 6.964 5.075 1.00 0.00 C ATOM 819 CE LYS A 48 -0.805 8.261 4.966 1.00 0.00 C ATOM 820 NZ LYS A 48 -1.410 8.608 6.272 1.00 0.00 N ATOM 0 H LYS A 48 3.845 6.603 5.219 1.00 0.00 H new ATOM 0 HA LYS A 48 3.294 6.744 7.984 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.111 7.646 7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.531 8.462 6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.725 8.112 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.047 6.403 4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.231 6.317 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.293 6.426 5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.156 9.071 4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.587 8.149 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.047 9.422 6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.950 7.795 6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.659 8.851 6.949 1.00 0.00 H new ATOM 833 N ILE A 49 2.337 4.593 8.580 1.00 0.00 N ATOM 834 CA ILE A 49 1.671 3.382 9.031 1.00 0.00 C ATOM 835 C ILE A 49 0.164 3.631 9.103 1.00 0.00 C ATOM 836 O ILE A 49 -0.307 4.717 8.768 1.00 0.00 O ATOM 837 CB ILE A 49 2.279 2.897 10.349 1.00 0.00 C ATOM 838 CG1 ILE A 49 2.348 4.032 11.372 1.00 0.00 C ATOM 839 CG2 ILE A 49 3.646 2.250 10.117 1.00 0.00 C ATOM 840 CD1 ILE A 49 1.949 3.540 12.765 1.00 0.00 C ATOM 0 H ILE A 49 2.997 4.991 9.248 1.00 0.00 H new ATOM 0 HA ILE A 49 1.826 2.572 8.318 1.00 0.00 H new ATOM 0 HB ILE A 49 1.626 2.129 10.764 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.359 4.438 11.402 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.687 4.843 11.066 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.056 1.914 11.069 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.536 1.396 9.448 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.322 2.978 9.668 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.007 4.367 13.473 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.929 3.157 12.737 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.627 2.746 13.078 1.00 0.00 H new ATOM 852 N ASP A 50 -0.552 2.607 9.543 1.00 0.00 N ATOM 853 CA ASP A 50 -1.997 2.700 9.664 1.00 0.00 C ATOM 854 C ASP A 50 -2.620 2.742 8.267 1.00 0.00 C ATOM 855 O ASP A 50 -3.340 1.824 7.877 1.00 0.00 O ATOM 856 CB ASP A 50 -2.407 3.977 10.402 1.00 0.00 C ATOM 857 CG ASP A 50 -3.839 3.981 10.940 1.00 0.00 C ATOM 858 OD1 ASP A 50 -4.745 4.576 10.337 1.00 0.00 O ATOM 859 OD2 ASP A 50 -4.011 3.332 12.041 1.00 0.00 O ATOM 0 H ASP A 50 -0.158 1.708 9.820 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.345 1.832 10.224 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.721 4.133 11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.286 4.824 9.726 1.00 0.00 H new ATOM 865 N HIS A 51 -2.319 3.816 7.552 1.00 0.00 N ATOM 866 CA HIS A 51 -2.840 3.989 6.206 1.00 0.00 C ATOM 867 C HIS A 51 -4.324 3.619 6.179 1.00 0.00 C ATOM 868 O HIS A 51 -4.701 2.590 5.620 1.00 0.00 O ATOM 869 CB HIS A 51 -2.012 3.192 5.196 1.00 0.00 C ATOM 870 CG HIS A 51 -2.592 3.178 3.802 1.00 0.00 C ATOM 871 ND1 HIS A 51 -2.713 4.319 3.029 1.00 0.00 N ATOM 872 CD2 HIS A 51 -3.081 2.150 3.051 1.00 0.00 C ATOM 873 CE1 HIS A 51 -3.253 3.982 1.867 1.00 0.00 C ATOM 874 NE2 HIS A 51 -3.481 2.637 1.883 1.00 0.00 N ATOM 0 H HIS A 51 -1.721 4.575 7.879 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.756 5.035 5.912 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.006 3.610 5.156 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -1.917 2.165 5.549 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.134 1.115 3.355 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.474 4.654 1.051 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.891 2.095 1.123 1.00 0.00 H new ATOM 882 N ALA A 52 -5.127 4.478 6.790 1.00 0.00 N ATOM 883 CA ALA A 52 -6.562 4.254 6.843 1.00 0.00 C ATOM 884 C ALA A 52 -7.040 3.718 5.492 1.00 0.00 C ATOM 885 O ALA A 52 -6.404 3.953 4.466 1.00 0.00 O ATOM 886 CB ALA A 52 -7.267 5.553 7.238 1.00 0.00 C ATOM 0 H ALA A 52 -4.811 5.330 7.253 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.807 3.508 7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.343 5.385 7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.914 5.876 8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.047 6.325 6.501 1.00 0.00 H new ATOM 892 N LYS A 53 -8.158 3.008 5.536 1.00 0.00 N ATOM 893 CA LYS A 53 -8.729 2.437 4.328 1.00 0.00 C ATOM 894 C LYS A 53 -9.824 3.365 3.799 1.00 0.00 C ATOM 895 O LYS A 53 -9.594 4.135 2.868 1.00 0.00 O ATOM 896 CB LYS A 53 -9.207 1.006 4.586 1.00 0.00 C ATOM 897 CG LYS A 53 -8.485 0.014 3.672 1.00 0.00 C ATOM 898 CD LYS A 53 -7.158 -0.433 4.288 1.00 0.00 C ATOM 899 CE LYS A 53 -7.373 -1.571 5.288 1.00 0.00 C ATOM 900 NZ LYS A 53 -6.562 -2.751 4.913 1.00 0.00 N ATOM 0 H LYS A 53 -8.683 2.815 6.389 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.972 2.360 3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.029 0.742 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.282 0.942 4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.120 -0.855 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.302 0.475 2.701 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.479 -0.760 3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.683 0.411 4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.101 -1.239 6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.428 -1.842 5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.720 -3.514 5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.841 -3.077 3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.555 -2.492 4.908 1.00 0.00 H new ATOM 913 N VAL A 54 -10.993 3.260 4.415 1.00 0.00 N ATOM 914 CA VAL A 54 -12.124 4.080 4.017 1.00 0.00 C ATOM 915 C VAL A 54 -13.257 3.905 5.030 1.00 0.00 C ATOM 916 O VAL A 54 -14.004 2.930 4.969 1.00 0.00 O ATOM 917 CB VAL A 54 -12.543 3.736 2.586 1.00 0.00 C ATOM 918 CG1 VAL A 54 -12.790 2.233 2.434 1.00 0.00 C ATOM 919 CG2 VAL A 54 -13.776 4.539 2.167 1.00 0.00 C ATOM 0 H VAL A 54 -11.181 2.620 5.186 1.00 0.00 H new ATOM 0 HA VAL A 54 -11.849 5.135 4.016 1.00 0.00 H new ATOM 0 HB VAL A 54 -11.723 4.010 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -13.086 2.015 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -11.876 1.688 2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.584 1.924 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -14.052 4.275 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -14.604 4.310 2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -13.551 5.604 2.218 1.00 0.00 H new ATOM 929 N ARG A 55 -13.348 4.865 5.939 1.00 0.00 N ATOM 930 CA ARG A 55 -14.377 4.829 6.965 1.00 0.00 C ATOM 931 C ARG A 55 -15.444 5.888 6.683 1.00 0.00 C ATOM 932 O ARG A 55 -15.779 6.685 7.558 1.00 0.00 O ATOM 933 CB ARG A 55 -13.781 5.072 8.352 1.00 0.00 C ATOM 934 CG ARG A 55 -13.037 6.407 8.403 1.00 0.00 C ATOM 935 CD ARG A 55 -13.588 7.300 9.517 1.00 0.00 C ATOM 936 NE ARG A 55 -13.729 8.690 9.029 1.00 0.00 N ATOM 937 CZ ARG A 55 -14.030 9.742 9.819 1.00 0.00 C ATOM 938 NH1 ARG A 55 -14.225 9.571 11.144 1.00 0.00 N ATOM 939 NH2 ARG A 55 -14.131 10.941 9.277 1.00 0.00 N ATOM 0 H ARG A 55 -12.726 5.672 5.986 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.830 3.838 6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.575 5.065 9.099 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.098 4.261 8.605 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.974 6.229 8.567 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.131 6.916 7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.555 6.924 9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.921 7.274 10.378 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.590 8.864 8.034 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.145 8.641 11.555 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.452 10.372 11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.982 11.062 8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.358 11.747 9.860 1.00 0.00 H new ATOM 952 N LYS A 56 -15.949 5.863 5.458 1.00 0.00 N ATOM 953 CA LYS A 56 -16.971 6.812 5.051 1.00 0.00 C ATOM 954 C LYS A 56 -18.324 6.100 4.984 1.00 0.00 C ATOM 955 O LYS A 56 -18.400 4.886 5.164 1.00 0.00 O ATOM 956 CB LYS A 56 -16.573 7.500 3.743 1.00 0.00 C ATOM 957 CG LYS A 56 -16.821 6.583 2.544 1.00 0.00 C ATOM 958 CD LYS A 56 -18.004 7.079 1.709 1.00 0.00 C ATOM 959 CE LYS A 56 -17.552 7.486 0.305 1.00 0.00 C ATOM 960 NZ LYS A 56 -18.541 7.049 -0.705 1.00 0.00 N ATOM 0 H LYS A 56 -15.669 5.201 4.735 1.00 0.00 H new ATOM 0 HA LYS A 56 -17.066 7.609 5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -17.143 8.422 3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.520 7.779 3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.926 6.540 1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.017 5.569 2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.758 6.295 1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -18.473 7.929 2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -17.427 8.568 0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.580 7.043 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -18.219 7.333 -1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -18.640 6.014 -0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -19.460 7.492 -0.505 1.00 0.00 H new ATOM 973 N HIS A 57 -19.358 6.887 4.725 1.00 0.00 N ATOM 974 CA HIS A 57 -20.704 6.347 4.632 1.00 0.00 C ATOM 975 C HIS A 57 -21.152 5.845 6.006 1.00 0.00 C ATOM 976 O HIS A 57 -20.935 4.684 6.349 1.00 0.00 O ATOM 977 CB HIS A 57 -20.783 5.266 3.552 1.00 0.00 C ATOM 978 CG HIS A 57 -22.165 4.688 3.361 1.00 0.00 C ATOM 979 ND1 HIS A 57 -23.166 5.353 2.674 1.00 0.00 N ATOM 980 CD2 HIS A 57 -22.701 3.503 3.772 1.00 0.00 C ATOM 981 CE1 HIS A 57 -24.252 4.593 2.679 1.00 0.00 C ATOM 982 NE2 HIS A 57 -23.961 3.447 3.360 1.00 0.00 N ATOM 0 H HIS A 57 -19.291 7.894 4.577 1.00 0.00 H new ATOM 0 HA HIS A 57 -21.394 7.134 4.328 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -20.442 5.687 2.606 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -20.096 4.460 3.808 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -22.187 2.740 4.337 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -25.200 4.838 2.224 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -24.606 2.674 3.525 1.00 0.00 H new ATOM 990 N GLN A 58 -21.768 6.746 6.757 1.00 0.00 N ATOM 991 CA GLN A 58 -22.249 6.410 8.087 1.00 0.00 C ATOM 992 C GLN A 58 -23.718 5.986 8.029 1.00 0.00 C ATOM 993 O GLN A 58 -24.358 6.095 6.985 1.00 0.00 O ATOM 994 CB GLN A 58 -22.053 7.580 9.053 1.00 0.00 C ATOM 995 CG GLN A 58 -20.571 7.793 9.364 1.00 0.00 C ATOM 996 CD GLN A 58 -20.315 9.213 9.871 1.00 0.00 C ATOM 997 OE1 GLN A 58 -20.799 9.626 10.912 1.00 0.00 O ATOM 998 NE2 GLN A 58 -19.528 9.937 9.079 1.00 0.00 N ATOM 0 H GLN A 58 -21.945 7.709 6.470 1.00 0.00 H new ATOM 0 HA GLN A 58 -21.664 5.571 8.462 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -22.471 8.488 8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -22.598 7.388 9.977 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -20.246 7.071 10.114 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -19.978 7.611 8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -19.156 9.531 8.221 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -19.297 10.898 9.330 1.00 0.00 H new ATOM 1007 N ARG A 59 -24.208 5.511 9.165 1.00 0.00 N ATOM 1008 CA ARG A 59 -25.590 5.070 9.257 1.00 0.00 C ATOM 1009 C ARG A 59 -26.525 6.127 8.666 1.00 0.00 C ATOM 1010 O ARG A 59 -26.109 7.257 8.413 1.00 0.00 O ATOM 1011 CB ARG A 59 -25.987 4.802 10.710 1.00 0.00 C ATOM 1012 CG ARG A 59 -26.855 3.547 10.818 1.00 0.00 C ATOM 1013 CD ARG A 59 -26.534 2.767 12.094 1.00 0.00 C ATOM 1014 NE ARG A 59 -27.603 1.779 12.366 1.00 0.00 N ATOM 1015 CZ ARG A 59 -28.814 2.095 12.872 1.00 0.00 C ATOM 1016 NH1 ARG A 59 -29.121 3.376 13.166 1.00 0.00 N ATOM 1017 NH2 ARG A 59 -29.693 1.131 13.075 1.00 0.00 N ATOM 0 H ARG A 59 -23.673 5.422 10.029 1.00 0.00 H new ATOM 0 HA ARG A 59 -25.681 4.143 8.691 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -25.091 4.683 11.319 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -26.530 5.660 11.107 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -27.908 3.828 10.814 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -26.691 2.911 9.948 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -25.576 2.258 11.988 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -26.439 3.453 12.935 1.00 0.00 H new ATOM 0 HE ARG A 59 -27.412 0.799 12.158 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -28.436 4.114 13.006 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -30.038 3.606 13.548 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -29.452 0.166 12.850 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -30.613 1.352 13.457 1.00 0.00 H new ATOM 1030 N LYS A 60 -27.770 5.723 8.464 1.00 0.00 N ATOM 1031 CA LYS A 60 -28.768 6.622 7.909 1.00 0.00 C ATOM 1032 C LYS A 60 -30.073 6.475 8.693 1.00 0.00 C ATOM 1033 O LYS A 60 -30.166 5.654 9.604 1.00 0.00 O ATOM 1034 CB LYS A 60 -28.924 6.385 6.405 1.00 0.00 C ATOM 1035 CG LYS A 60 -29.728 5.113 6.131 1.00 0.00 C ATOM 1036 CD LYS A 60 -28.881 3.864 6.381 1.00 0.00 C ATOM 1037 CE LYS A 60 -29.126 2.810 5.300 1.00 0.00 C ATOM 1038 NZ LYS A 60 -29.955 1.705 5.831 1.00 0.00 N ATOM 0 H LYS A 60 -28.111 4.785 8.675 1.00 0.00 H new ATOM 0 HA LYS A 60 -28.448 7.659 8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -29.422 7.240 5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -27.941 6.305 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -30.611 5.092 6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -30.081 5.117 5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -27.825 4.134 6.398 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -29.120 3.448 7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -29.624 3.267 4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -28.173 2.419 4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -30.112 0.999 5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -29.466 1.258 6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -30.871 2.080 6.150 1.00 0.00 H new ATOM 1051 N PHE A 61 -31.050 7.284 8.310 1.00 0.00 N ATOM 1052 CA PHE A 61 -32.346 7.255 8.966 1.00 0.00 C ATOM 1053 C PHE A 61 -33.394 8.008 8.143 1.00 0.00 C ATOM 1054 O PHE A 61 -33.049 8.817 7.283 1.00 0.00 O ATOM 1055 CB PHE A 61 -32.180 7.951 10.318 1.00 0.00 C ATOM 1056 CG PHE A 61 -32.019 6.990 11.497 1.00 0.00 C ATOM 1057 CD1 PHE A 61 -32.911 5.979 11.676 1.00 0.00 C ATOM 1058 CD2 PHE A 61 -30.985 7.147 12.366 1.00 0.00 C ATOM 1059 CE1 PHE A 61 -32.762 5.087 12.771 1.00 0.00 C ATOM 1060 CE2 PHE A 61 -30.836 6.255 13.461 1.00 0.00 C ATOM 1061 CZ PHE A 61 -31.728 5.244 13.640 1.00 0.00 C ATOM 0 H PHE A 61 -30.970 7.964 7.554 1.00 0.00 H new ATOM 0 HA PHE A 61 -32.683 6.224 9.078 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -31.309 8.605 10.274 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -33.047 8.587 10.497 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -33.732 5.855 10.986 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -30.277 7.950 12.223 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -33.470 4.284 12.914 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -30.015 6.379 14.151 1.00 0.00 H new ATOM 0 HZ PHE A 61 -31.615 4.566 14.473 1.00 0.00 H new ATOM 1071 N LEU A 62 -34.653 7.716 8.437 1.00 0.00 N ATOM 1072 CA LEU A 62 -35.753 8.355 7.736 1.00 0.00 C ATOM 1073 C LEU A 62 -36.852 8.714 8.738 1.00 0.00 C ATOM 1074 O LEU A 62 -36.981 8.070 9.778 1.00 0.00 O ATOM 1075 CB LEU A 62 -36.237 7.474 6.582 1.00 0.00 C ATOM 1076 CG LEU A 62 -37.225 6.367 6.952 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -38.401 6.332 5.974 1.00 0.00 C ATOM 1078 CD2 LEU A 62 -36.519 5.012 7.049 1.00 0.00 C ATOM 0 H LEU A 62 -34.935 7.045 9.152 1.00 0.00 H new ATOM 0 HA LEU A 62 -35.422 9.287 7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -36.703 8.114 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -35.367 7.015 6.112 1.00 0.00 H new ATOM 0 HG LEU A 62 -37.633 6.589 7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -39.088 5.536 6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -38.923 7.289 5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -38.030 6.147 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -37.244 4.242 7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -36.065 4.769 6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -35.744 5.059 7.815 1.00 0.00 H new ATOM 1090 N GLN A 63 -37.615 9.739 8.389 1.00 0.00 N ATOM 1091 CA GLN A 63 -38.698 10.191 9.246 1.00 0.00 C ATOM 1092 C GLN A 63 -39.944 9.332 9.023 1.00 0.00 C ATOM 1093 O GLN A 63 -40.208 8.893 7.904 1.00 0.00 O ATOM 1094 CB GLN A 63 -39.003 11.671 9.009 1.00 0.00 C ATOM 1095 CG GLN A 63 -39.511 11.906 7.585 1.00 0.00 C ATOM 1096 CD GLN A 63 -38.928 13.195 7.001 1.00 0.00 C ATOM 1097 OE1 GLN A 63 -37.998 13.782 7.530 1.00 0.00 O ATOM 1098 NE2 GLN A 63 -39.525 13.600 5.884 1.00 0.00 N ATOM 0 H GLN A 63 -37.505 10.269 7.525 1.00 0.00 H new ATOM 0 HA GLN A 63 -38.385 10.080 10.284 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -39.750 12.011 9.726 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -38.104 12.263 9.180 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -39.238 11.060 6.954 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -40.599 11.964 7.588 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -40.298 13.061 5.495 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -39.209 14.450 5.416 1.00 0.00 H new ATOM 1107 N ALA A 64 -40.678 9.117 10.105 1.00 0.00 N ATOM 1108 CA ALA A 64 -41.890 8.319 10.042 1.00 0.00 C ATOM 1109 C ALA A 64 -42.525 8.253 11.432 1.00 0.00 C ATOM 1110 O ALA A 64 -42.154 7.412 12.249 1.00 0.00 O ATOM 1111 CB ALA A 64 -41.559 6.932 9.486 1.00 0.00 C ATOM 0 H ALA A 64 -40.456 9.482 11.031 1.00 0.00 H new ATOM 0 HA ALA A 64 -42.616 8.776 9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -42.468 6.333 9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -41.138 7.032 8.486 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -40.835 6.442 10.137 1.00 0.00 H new ATOM 1117 N ILE A 65 -43.473 9.151 11.657 1.00 0.00 N ATOM 1118 CA ILE A 65 -44.164 9.206 12.934 1.00 0.00 C ATOM 1119 C ILE A 65 -45.548 8.570 12.788 1.00 0.00 C ATOM 1120 O ILE A 65 -45.664 7.357 12.623 1.00 0.00 O ATOM 1121 CB ILE A 65 -44.199 10.641 13.464 1.00 0.00 C ATOM 1122 CG1 ILE A 65 -42.785 11.211 13.596 1.00 0.00 C ATOM 1123 CG2 ILE A 65 -44.975 10.721 14.780 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -42.794 12.735 13.463 1.00 0.00 C ATOM 0 H ILE A 65 -43.779 9.846 10.976 1.00 0.00 H new ATOM 0 HA ILE A 65 -43.624 8.628 13.684 1.00 0.00 H new ATOM 0 HB ILE A 65 -44.729 11.260 12.740 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -42.364 10.929 14.561 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -42.142 10.779 12.829 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -44.985 11.752 15.135 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -45.999 10.383 14.620 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -44.495 10.086 15.524 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -41.777 13.115 13.561 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -43.193 13.013 12.487 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -43.418 13.165 14.246 1.00 0.00 H new ATOM 1136 N HIS A 66 -46.563 9.419 12.855 1.00 0.00 N ATOM 1137 CA HIS A 66 -47.935 8.955 12.732 1.00 0.00 C ATOM 1138 C HIS A 66 -48.683 9.828 11.722 1.00 0.00 C ATOM 1139 O HIS A 66 -49.764 10.335 12.015 1.00 0.00 O ATOM 1140 CB HIS A 66 -48.619 8.913 14.100 1.00 0.00 C ATOM 1141 CG HIS A 66 -48.233 7.721 14.943 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -48.126 6.441 14.427 1.00 0.00 N ATOM 1143 CD2 HIS A 66 -47.929 7.628 16.269 1.00 0.00 C ATOM 1144 CE1 HIS A 66 -47.774 5.623 15.408 1.00 0.00 C ATOM 1145 NE2 HIS A 66 -47.653 6.361 16.549 1.00 0.00 N ATOM 0 H HIS A 66 -46.463 10.425 12.993 1.00 0.00 H new ATOM 0 HA HIS A 66 -47.945 7.933 12.354 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -48.375 9.825 14.645 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -49.699 8.908 13.955 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -47.915 8.447 16.972 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -47.611 4.559 15.320 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -47.393 5.998 17.466 1.00 0.00 H new ATOM 1153 N GLN A 67 -48.077 9.976 10.553 1.00 0.00 N ATOM 1154 CA GLN A 67 -48.672 10.778 9.498 1.00 0.00 C ATOM 1155 C GLN A 67 -50.054 10.233 9.131 1.00 0.00 C ATOM 1156 O GLN A 67 -50.163 9.185 8.496 1.00 0.00 O ATOM 1157 CB GLN A 67 -47.761 10.833 8.270 1.00 0.00 C ATOM 1158 CG GLN A 67 -46.570 11.762 8.512 1.00 0.00 C ATOM 1159 CD GLN A 67 -46.779 13.112 7.822 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -46.673 13.243 6.614 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -47.080 14.104 8.654 1.00 0.00 N ATOM 0 H GLN A 67 -47.180 9.554 10.313 1.00 0.00 H new ATOM 0 HA GLN A 67 -48.791 11.797 9.867 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -47.403 9.831 8.033 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -48.329 11.181 7.407 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -46.434 11.914 9.583 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -45.658 11.296 8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -47.153 13.925 9.656 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -47.238 15.044 8.291 1.00 0.00 H new ATOM 1170 N LEU A 68 -51.075 10.968 9.547 1.00 0.00 N ATOM 1171 CA LEU A 68 -52.445 10.571 9.271 1.00 0.00 C ATOM 1172 C LEU A 68 -52.837 11.050 7.872 1.00 0.00 C ATOM 1173 O LEU A 68 -52.058 11.726 7.201 1.00 0.00 O ATOM 1174 CB LEU A 68 -53.380 11.067 10.375 1.00 0.00 C ATOM 1175 CG LEU A 68 -53.233 10.383 11.736 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -54.019 11.132 12.814 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -53.634 8.909 11.654 1.00 0.00 C ATOM 0 H LEU A 68 -50.981 11.837 10.073 1.00 0.00 H new ATOM 0 HA LEU A 68 -52.535 9.485 9.274 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -53.217 12.136 10.509 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -54.408 10.941 10.037 1.00 0.00 H new ATOM 0 HG LEU A 68 -52.182 10.416 12.023 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -53.898 10.625 13.771 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -53.645 12.153 12.894 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -55.075 11.153 12.546 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -53.520 8.446 12.634 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -54.673 8.832 11.334 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -52.994 8.397 10.935 1.00 0.00 H new ATOM 1189 N ARG A 69 -54.046 10.682 7.472 1.00 0.00 N ATOM 1190 CA ARG A 69 -54.551 11.066 6.165 1.00 0.00 C ATOM 1191 C ARG A 69 -56.077 10.949 6.131 1.00 0.00 C ATOM 1192 O ARG A 69 -56.661 10.178 6.890 1.00 0.00 O ATOM 1193 CB ARG A 69 -53.954 10.187 5.064 1.00 0.00 C ATOM 1194 CG ARG A 69 -54.292 8.713 5.296 1.00 0.00 C ATOM 1195 CD ARG A 69 -53.204 8.024 6.122 1.00 0.00 C ATOM 1196 NE ARG A 69 -53.465 6.569 6.191 1.00 0.00 N ATOM 1197 CZ ARG A 69 -52.706 5.696 6.887 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -51.630 6.125 7.580 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -53.032 4.417 6.879 1.00 0.00 N ATOM 0 H ARG A 69 -54.690 10.122 8.030 1.00 0.00 H new ATOM 0 HA ARG A 69 -54.258 12.101 5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -54.337 10.503 4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -52.872 10.316 5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -55.250 8.632 5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -54.401 8.206 4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -52.227 8.206 5.675 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -53.178 8.445 7.127 1.00 0.00 H new ATOM 0 HE ARG A 69 -54.269 6.203 5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -51.385 7.115 7.580 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -51.062 5.459 8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -53.847 4.102 6.352 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -52.469 3.744 7.399 1.00 0.00 H new ATOM 1212 N SER A 70 -56.678 11.725 5.241 1.00 0.00 N ATOM 1213 CA SER A 70 -58.123 11.719 5.098 1.00 0.00 C ATOM 1214 C SER A 70 -58.782 12.142 6.412 1.00 0.00 C ATOM 1215 O SER A 70 -58.221 11.932 7.487 1.00 0.00 O ATOM 1216 CB SER A 70 -58.628 10.339 4.671 1.00 0.00 C ATOM 1217 OG SER A 70 -58.169 9.981 3.371 1.00 0.00 O ATOM 0 H SER A 70 -56.190 12.362 4.612 1.00 0.00 H new ATOM 0 HA SER A 70 -58.392 12.432 4.319 1.00 0.00 H new ATOM 0 HB2 SER A 70 -58.295 9.592 5.391 1.00 0.00 H new ATOM 0 HB3 SER A 70 -59.718 10.331 4.685 1.00 0.00 H new ATOM 0 HG SER A 70 -58.511 9.093 3.136 1.00 0.00 H new ATOM 1223 N VAL A 71 -59.963 12.729 6.284 1.00 0.00 N ATOM 1224 CA VAL A 71 -60.703 13.183 7.449 1.00 0.00 C ATOM 1225 C VAL A 71 -61.819 12.183 7.760 1.00 0.00 C ATOM 1226 O VAL A 71 -62.451 12.261 8.812 1.00 0.00 O ATOM 1227 CB VAL A 71 -61.221 14.604 7.218 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -62.376 14.928 8.168 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -60.093 15.628 7.357 1.00 0.00 C ATOM 0 H VAL A 71 -60.426 12.901 5.391 1.00 0.00 H new ATOM 0 HA VAL A 71 -60.052 13.226 8.322 1.00 0.00 H new ATOM 0 HB VAL A 71 -61.601 14.660 6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -62.725 15.944 7.983 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -63.193 14.227 8.000 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -62.033 14.845 9.199 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -60.488 16.630 7.188 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -59.670 15.569 8.360 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -59.316 15.416 6.622 1.00 0.00 H new ATOM 1239 N LYS A 72 -62.026 11.267 6.825 1.00 0.00 N ATOM 1240 CA LYS A 72 -63.055 10.254 6.987 1.00 0.00 C ATOM 1241 C LYS A 72 -62.507 9.109 7.841 1.00 0.00 C ATOM 1242 O LYS A 72 -62.309 8.000 7.348 1.00 0.00 O ATOM 1243 CB LYS A 72 -63.583 9.804 5.623 1.00 0.00 C ATOM 1244 CG LYS A 72 -62.459 9.216 4.766 1.00 0.00 C ATOM 1245 CD LYS A 72 -62.926 7.950 4.044 1.00 0.00 C ATOM 1246 CE LYS A 72 -63.362 8.266 2.612 1.00 0.00 C ATOM 1247 NZ LYS A 72 -64.513 7.421 2.223 1.00 0.00 N ATOM 0 H LYS A 72 -61.499 11.205 5.954 1.00 0.00 H new ATOM 0 HA LYS A 72 -63.914 10.665 7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -64.368 9.060 5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -64.034 10.651 5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -62.129 9.955 4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -61.600 8.984 5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -62.120 7.217 4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -63.755 7.500 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -63.633 9.319 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -62.531 8.097 1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -64.797 7.648 1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -64.243 6.418 2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -65.310 7.602 2.866 1.00 0.00 H new ATOM 1260 N MET A 73 -62.277 9.418 9.109 1.00 0.00 N ATOM 1261 CA MET A 73 -61.756 8.429 10.038 1.00 0.00 C ATOM 1262 C MET A 73 -62.799 7.348 10.330 1.00 0.00 C ATOM 1263 O MET A 73 -62.468 6.166 10.407 1.00 0.00 O ATOM 1264 CB MET A 73 -61.353 9.116 11.344 1.00 0.00 C ATOM 1265 CG MET A 73 -60.078 9.942 11.158 1.00 0.00 C ATOM 1266 SD MET A 73 -58.717 9.165 12.012 1.00 0.00 S ATOM 1267 CE MET A 73 -58.204 10.510 13.067 1.00 0.00 C ATOM 0 H MET A 73 -62.442 10.339 9.515 1.00 0.00 H new ATOM 0 HA MET A 73 -60.886 7.955 9.584 1.00 0.00 H new ATOM 0 HB2 MET A 73 -62.163 9.762 11.684 1.00 0.00 H new ATOM 0 HB3 MET A 73 -61.195 8.367 12.120 1.00 0.00 H new ATOM 0 HG2 MET A 73 -59.847 10.035 10.097 1.00 0.00 H new ATOM 0 HG3 MET A 73 -60.230 10.951 11.541 1.00 0.00 H new ATOM 0 HE1 MET A 73 -57.356 10.193 13.674 1.00 0.00 H new ATOM 0 HE2 MET A 73 -57.913 11.363 12.454 1.00 0.00 H new ATOM 0 HE3 MET A 73 -59.030 10.797 13.718 1.00 0.00 H new ATOM 1277 N GLU A 74 -64.037 7.792 10.485 1.00 0.00 N ATOM 1278 CA GLU A 74 -65.130 6.878 10.768 1.00 0.00 C ATOM 1279 C GLU A 74 -66.178 6.943 9.654 1.00 0.00 C ATOM 1280 O GLU A 74 -66.191 7.885 8.863 1.00 0.00 O ATOM 1281 CB GLU A 74 -65.759 7.179 12.130 1.00 0.00 C ATOM 1282 CG GLU A 74 -66.459 8.540 12.122 1.00 0.00 C ATOM 1283 CD GLU A 74 -65.613 9.595 12.838 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -64.378 9.489 12.860 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -66.283 10.553 13.383 1.00 0.00 O ATOM 0 H GLU A 74 -64.308 8.773 10.420 1.00 0.00 H new ATOM 0 HA GLU A 74 -64.730 5.865 10.806 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -66.476 6.399 12.384 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -64.989 7.167 12.901 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -66.643 8.852 11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -67.431 8.456 12.609 1.00 0.00 H new ATOM 1293 N GLN A 75 -67.030 5.929 9.627 1.00 0.00 N ATOM 1294 CA GLN A 75 -68.079 5.859 8.624 1.00 0.00 C ATOM 1295 C GLN A 75 -69.455 5.883 9.291 1.00 0.00 C ATOM 1296 O GLN A 75 -69.558 5.797 10.514 1.00 0.00 O ATOM 1297 CB GLN A 75 -67.916 4.615 7.747 1.00 0.00 C ATOM 1298 CG GLN A 75 -67.880 4.991 6.264 1.00 0.00 C ATOM 1299 CD GLN A 75 -68.843 4.121 5.455 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -69.763 3.515 5.979 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -68.581 4.093 4.151 1.00 0.00 N ATOM 0 H GLN A 75 -67.015 5.149 10.284 1.00 0.00 H new ATOM 0 HA GLN A 75 -67.996 6.733 7.978 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -66.997 4.094 8.016 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -68.740 3.925 7.931 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -68.146 6.041 6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -66.867 4.873 5.880 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -67.794 4.624 3.777 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -69.167 3.540 3.525 1.00 0.00 H new ATOM 1310 N ARG A 76 -70.479 6.001 8.459 1.00 0.00 N ATOM 1311 CA ARG A 76 -71.845 6.037 8.954 1.00 0.00 C ATOM 1312 C ARG A 76 -72.222 4.690 9.573 1.00 0.00 C ATOM 1313 O ARG A 76 -71.945 3.639 8.997 1.00 0.00 O ATOM 1314 CB ARG A 76 -72.829 6.367 7.829 1.00 0.00 C ATOM 1315 CG ARG A 76 -72.811 5.284 6.749 1.00 0.00 C ATOM 1316 CD ARG A 76 -73.738 5.651 5.589 1.00 0.00 C ATOM 1317 NE ARG A 76 -73.007 5.548 4.306 1.00 0.00 N ATOM 1318 CZ ARG A 76 -72.255 6.539 3.782 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -72.127 7.717 4.428 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -71.646 6.338 2.628 1.00 0.00 N ATOM 0 H ARG A 76 -70.391 6.073 7.445 1.00 0.00 H new ATOM 0 HA ARG A 76 -71.902 6.817 9.713 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -73.835 6.462 8.237 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -72.572 7.330 7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -71.794 5.151 6.379 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -73.120 4.331 7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -74.602 4.987 5.579 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -74.116 6.665 5.721 1.00 0.00 H new ATOM 0 HE ARG A 76 -73.076 4.674 3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -72.600 7.864 5.319 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -71.557 8.460 4.025 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -71.748 5.445 2.147 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -71.074 7.076 2.218 1.00 0.00 H new ATOM 1333 N LYS A 77 -72.847 4.765 10.739 1.00 0.00 N ATOM 1334 CA LYS A 77 -73.264 3.564 11.442 1.00 0.00 C ATOM 1335 C LYS A 77 -74.757 3.329 11.200 1.00 0.00 C ATOM 1336 O LYS A 77 -75.468 4.232 10.764 1.00 0.00 O ATOM 1337 CB LYS A 77 -72.888 3.652 12.923 1.00 0.00 C ATOM 1338 CG LYS A 77 -72.210 2.364 13.394 1.00 0.00 C ATOM 1339 CD LYS A 77 -71.838 2.450 14.875 1.00 0.00 C ATOM 1340 CE LYS A 77 -73.076 2.298 15.761 1.00 0.00 C ATOM 1341 NZ LYS A 77 -72.829 1.306 16.831 1.00 0.00 N ATOM 0 H LYS A 77 -73.075 5.638 11.214 1.00 0.00 H new ATOM 0 HA LYS A 77 -72.736 2.693 11.054 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -72.220 4.498 13.083 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -73.782 3.835 13.519 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -72.877 1.517 13.232 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -71.314 2.182 12.800 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -71.115 1.671 15.118 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -71.357 3.407 15.078 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -73.335 3.260 16.202 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -73.927 1.985 15.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -73.679 1.215 17.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -72.604 0.384 16.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -72.030 1.620 17.418 1.00 0.00 H new ATOM 1354 N LEU A 78 -75.187 2.111 11.495 1.00 0.00 N ATOM 1355 CA LEU A 78 -76.582 1.746 11.315 1.00 0.00 C ATOM 1356 C LEU A 78 -77.468 2.937 11.685 1.00 0.00 C ATOM 1357 O LEU A 78 -77.062 3.799 12.463 1.00 0.00 O ATOM 1358 CB LEU A 78 -76.907 0.471 12.095 1.00 0.00 C ATOM 1359 CG LEU A 78 -76.866 -0.834 11.296 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -75.788 -1.774 11.836 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -78.243 -1.499 11.263 1.00 0.00 C ATOM 0 H LEU A 78 -74.594 1.364 11.857 1.00 0.00 H new ATOM 0 HA LEU A 78 -76.783 1.512 10.270 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -76.205 0.388 12.925 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -77.902 0.577 12.528 1.00 0.00 H new ATOM 0 HG LEU A 78 -76.598 -0.596 10.266 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -75.780 -2.693 11.251 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -74.814 -1.290 11.764 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -76.000 -2.010 12.879 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -78.187 -2.424 10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -78.564 -1.722 12.281 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -78.961 -0.825 10.796 1.00 0.00 H new ATOM 1373 N ASN A 79 -78.662 2.946 11.111 1.00 0.00 N ATOM 1374 CA ASN A 79 -79.609 4.017 11.371 1.00 0.00 C ATOM 1375 C ASN A 79 -80.958 3.662 10.743 1.00 0.00 C ATOM 1376 O ASN A 79 -82.007 3.905 11.338 1.00 0.00 O ATOM 1377 CB ASN A 79 -79.133 5.334 10.756 1.00 0.00 C ATOM 1378 CG ASN A 79 -79.570 6.527 11.609 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -79.169 6.687 12.750 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -80.412 7.353 10.995 1.00 0.00 N ATOM 0 H ASN A 79 -78.995 2.229 10.467 1.00 0.00 H new ATOM 0 HA ASN A 79 -79.697 4.135 12.451 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -78.047 5.326 10.665 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -79.536 5.436 9.748 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -80.761 8.179 11.481 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -80.708 7.161 10.038 1.00 0.00 H new ATOM 1387 N ASP A 80 -80.888 3.092 9.549 1.00 0.00 N ATOM 1388 CA ASP A 80 -82.091 2.701 8.834 1.00 0.00 C ATOM 1389 C ASP A 80 -82.686 1.453 9.490 1.00 0.00 C ATOM 1390 O ASP A 80 -81.956 0.625 10.033 1.00 0.00 O ATOM 1391 CB ASP A 80 -81.780 2.366 7.374 1.00 0.00 C ATOM 1392 CG ASP A 80 -80.584 1.434 7.166 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -79.543 1.842 6.629 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -80.754 0.226 7.585 1.00 0.00 O ATOM 0 H ASP A 80 -80.016 2.891 9.059 1.00 0.00 H new ATOM 0 HA ASP A 80 -82.791 3.535 8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -82.662 1.907 6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -81.596 3.295 6.835 1.00 0.00 H new ATOM 1400 N GLN A 81 -84.005 1.358 9.418 1.00 0.00 N ATOM 1401 CA GLN A 81 -84.707 0.225 9.997 1.00 0.00 C ATOM 1402 C GLN A 81 -84.349 0.080 11.478 1.00 0.00 C ATOM 1403 O GLN A 81 -83.262 -0.388 11.814 1.00 0.00 O ATOM 1404 CB GLN A 81 -84.397 -1.062 9.230 1.00 0.00 C ATOM 1405 CG GLN A 81 -85.476 -2.119 9.475 1.00 0.00 C ATOM 1406 CD GLN A 81 -85.203 -2.892 10.767 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -85.567 -2.481 11.856 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -84.542 -4.032 10.586 1.00 0.00 N ATOM 0 H GLN A 81 -84.607 2.047 8.967 1.00 0.00 H new ATOM 0 HA GLN A 81 -85.779 0.407 9.918 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -84.329 -0.847 8.164 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -83.426 -1.449 9.540 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -86.453 -1.640 9.533 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -85.510 -2.811 8.633 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -84.266 -4.318 9.647 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -84.311 -4.620 11.387 1.00 0.00 H new ATOM 1417 N ALA A 82 -85.283 0.490 12.322 1.00 0.00 N ATOM 1418 CA ALA A 82 -85.080 0.412 13.759 1.00 0.00 C ATOM 1419 C ALA A 82 -85.937 -0.719 14.330 1.00 0.00 C ATOM 1420 O ALA A 82 -85.655 -1.230 15.413 1.00 0.00 O ATOM 1421 CB ALA A 82 -85.402 1.766 14.395 1.00 0.00 C ATOM 0 H ALA A 82 -86.183 0.878 12.039 1.00 0.00 H new ATOM 0 HA ALA A 82 -84.039 0.184 13.988 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -85.250 1.707 15.473 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -84.746 2.530 13.977 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -86.440 2.027 14.189 1.00 0.00 H new ATOM 1427 N ASN A 83 -86.967 -1.076 13.577 1.00 0.00 N ATOM 1428 CA ASN A 83 -87.867 -2.138 13.995 1.00 0.00 C ATOM 1429 C ASN A 83 -88.833 -2.460 12.853 1.00 0.00 C ATOM 1430 O ASN A 83 -89.418 -1.557 12.256 1.00 0.00 O ATOM 1431 CB ASN A 83 -88.695 -1.711 15.208 1.00 0.00 C ATOM 1432 CG ASN A 83 -88.674 -2.790 16.293 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -87.839 -3.680 16.304 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -89.637 -2.662 17.202 1.00 0.00 N ATOM 0 H ASN A 83 -87.198 -0.649 12.680 1.00 0.00 H new ATOM 0 HA ASN A 83 -87.265 -3.008 14.257 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -88.302 -0.777 15.611 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -89.723 -1.518 14.902 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -89.708 -3.333 17.967 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -90.304 -1.893 17.134 1.00 0.00 H new ATOM 1441 N THR A 84 -88.970 -3.750 12.583 1.00 0.00 N ATOM 1442 CA THR A 84 -89.855 -4.203 11.523 1.00 0.00 C ATOM 1443 C THR A 84 -90.242 -5.667 11.741 1.00 0.00 C ATOM 1444 O THR A 84 -89.863 -6.536 10.957 1.00 0.00 O ATOM 1445 CB THR A 84 -89.158 -3.951 10.185 1.00 0.00 C ATOM 1446 OG1 THR A 84 -89.950 -4.667 9.241 1.00 0.00 O ATOM 1447 CG2 THR A 84 -87.785 -4.621 10.105 1.00 0.00 C ATOM 0 H THR A 84 -88.483 -4.496 13.080 1.00 0.00 H new ATOM 0 HA THR A 84 -90.793 -3.648 11.526 1.00 0.00 H new ATOM 0 HB THR A 84 -89.047 -2.878 10.030 1.00 0.00 H new ATOM 0 HG1 THR A 84 -89.860 -5.630 9.402 1.00 0.00 H new ATOM 0 HG21 THR A 84 -87.334 -4.411 9.135 1.00 0.00 H new ATOM 0 HG22 THR A 84 -87.144 -4.232 10.896 1.00 0.00 H new ATOM 0 HG23 THR A 84 -87.898 -5.698 10.227 1.00 0.00 H new ATOM 1455 N LEU A 85 -90.992 -5.895 12.809 1.00 0.00 N ATOM 1456 CA LEU A 85 -91.435 -7.239 13.139 1.00 0.00 C ATOM 1457 C LEU A 85 -92.950 -7.333 12.950 1.00 0.00 C ATOM 1458 O LEU A 85 -93.516 -8.425 12.977 1.00 0.00 O ATOM 1459 CB LEU A 85 -90.964 -7.628 14.542 1.00 0.00 C ATOM 1460 CG LEU A 85 -91.201 -6.590 15.641 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -91.179 -7.242 17.025 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -90.199 -5.439 15.533 1.00 0.00 C ATOM 0 H LEU A 85 -91.304 -5.172 13.457 1.00 0.00 H new ATOM 0 HA LEU A 85 -90.984 -7.966 12.463 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -91.465 -8.552 14.829 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -89.897 -7.845 14.498 1.00 0.00 H new ATOM 0 HG LEU A 85 -92.195 -6.165 15.501 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -91.350 -6.482 17.788 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -91.962 -7.998 17.084 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -90.209 -7.711 17.191 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -90.389 -4.715 16.326 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -89.186 -5.828 15.633 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -90.307 -4.952 14.564 1.00 0.00 H new ATOM 1474 N VAL A 86 -93.564 -6.175 12.764 1.00 0.00 N ATOM 1475 CA VAL A 86 -95.003 -6.113 12.570 1.00 0.00 C ATOM 1476 C VAL A 86 -95.681 -7.131 13.489 1.00 0.00 C ATOM 1477 O VAL A 86 -96.720 -7.690 13.143 1.00 0.00 O ATOM 1478 CB VAL A 86 -95.342 -6.322 11.093 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -94.512 -5.394 10.203 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -95.151 -7.785 10.689 1.00 0.00 C ATOM 0 H VAL A 86 -93.092 -5.271 12.743 1.00 0.00 H new ATOM 0 HA VAL A 86 -95.383 -5.128 12.840 1.00 0.00 H new ATOM 0 HB VAL A 86 -96.393 -6.070 10.951 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -94.773 -5.563 9.158 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -94.719 -4.357 10.466 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -93.452 -5.601 10.351 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -95.399 -7.907 9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -94.113 -8.076 10.854 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -95.805 -8.417 11.290 1.00 0.00 H new ATOM 1490 N ASP A 87 -95.065 -7.340 14.644 1.00 0.00 N ATOM 1491 CA ASP A 87 -95.596 -8.281 15.615 1.00 0.00 C ATOM 1492 C ASP A 87 -96.657 -7.583 16.468 1.00 0.00 C ATOM 1493 O ASP A 87 -97.082 -6.473 16.151 1.00 0.00 O ATOM 1494 CB ASP A 87 -94.495 -8.787 16.550 1.00 0.00 C ATOM 1495 CG ASP A 87 -94.706 -10.203 17.090 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -95.082 -10.392 18.257 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -94.465 -11.150 16.248 1.00 0.00 O ATOM 0 H ASP A 87 -94.204 -6.874 14.929 1.00 0.00 H new ATOM 0 HA ASP A 87 -96.022 -9.123 15.070 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -93.544 -8.755 16.018 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -94.412 -8.101 17.393 1.00 0.00 H new ATOM 1503 N LEU A 88 -97.054 -8.262 17.534 1.00 0.00 N ATOM 1504 CA LEU A 88 -98.057 -7.720 18.435 1.00 0.00 C ATOM 1505 C LEU A 88 -99.167 -7.058 17.617 1.00 0.00 C ATOM 1506 O LEU A 88 -99.862 -6.171 18.110 1.00 0.00 O ATOM 1507 CB LEU A 88 -97.409 -6.788 19.460 1.00 0.00 C ATOM 1508 CG LEU A 88 -97.167 -5.349 19.000 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -98.359 -4.455 19.345 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -95.857 -4.803 19.571 1.00 0.00 C ATOM 0 H LEU A 88 -96.699 -9.182 17.794 1.00 0.00 H new ATOM 0 HA LEU A 88 -98.521 -8.519 19.014 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -98.040 -6.763 20.349 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -96.453 -7.218 19.759 1.00 0.00 H new ATOM 0 HG LEU A 88 -97.069 -5.350 17.914 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -98.161 -3.438 19.007 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -99.253 -4.834 18.850 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -98.514 -4.455 20.424 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -95.710 -3.779 19.228 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -95.900 -4.819 20.660 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -95.026 -5.422 19.232 1.00 0.00 H new ATOM 1522 N ALA A 89 -99.299 -7.514 16.380 1.00 0.00 N ATOM 1523 CA ALA A 89 -100.313 -6.977 15.488 1.00 0.00 C ATOM 1524 C ALA A 89 -101.658 -7.637 15.796 1.00 0.00 C ATOM 1525 O ALA A 89 -102.681 -6.959 15.885 1.00 0.00 O ATOM 1526 CB ALA A 89 -99.879 -7.188 14.036 1.00 0.00 C ATOM 0 H ALA A 89 -98.720 -8.250 15.974 1.00 0.00 H new ATOM 0 HA ALA A 89 -100.430 -5.904 15.641 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -100.639 -6.785 13.367 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -98.933 -6.675 13.861 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -99.755 -8.254 13.845 1.00 0.00 H new ATOM 1532 N LYS A 90 -101.614 -8.952 15.952 1.00 0.00 N ATOM 1533 CA LYS A 90 -102.817 -9.712 16.248 1.00 0.00 C ATOM 1534 C LYS A 90 -103.767 -9.642 15.051 1.00 0.00 C ATOM 1535 O LYS A 90 -103.655 -8.745 14.217 1.00 0.00 O ATOM 1536 CB LYS A 90 -103.444 -9.232 17.559 1.00 0.00 C ATOM 1537 CG LYS A 90 -102.943 -10.061 18.743 1.00 0.00 C ATOM 1538 CD LYS A 90 -102.506 -9.159 19.898 1.00 0.00 C ATOM 1539 CE LYS A 90 -102.141 -9.987 21.132 1.00 0.00 C ATOM 1540 NZ LYS A 90 -101.707 -9.104 22.238 1.00 0.00 N ATOM 0 H LYS A 90 -100.764 -9.511 15.879 1.00 0.00 H new ATOM 0 HA LYS A 90 -102.575 -10.764 16.402 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -103.202 -8.181 17.718 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -104.530 -9.303 17.494 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -103.732 -10.733 19.080 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -102.106 -10.684 18.427 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -101.649 -8.559 19.592 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -103.309 -8.465 20.146 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -103.000 -10.579 21.447 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -101.344 -10.688 20.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -101.463 -9.681 23.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -100.874 -8.557 21.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -102.479 -8.452 22.485 1.00 0.00 H new ATOM 1553 N THR A 91 -104.680 -10.602 15.004 1.00 0.00 N ATOM 1554 CA THR A 91 -105.648 -10.661 13.922 1.00 0.00 C ATOM 1555 C THR A 91 -106.670 -11.769 14.182 1.00 0.00 C ATOM 1556 O THR A 91 -106.377 -12.947 13.986 1.00 0.00 O ATOM 1557 CB THR A 91 -104.881 -10.837 12.610 1.00 0.00 C ATOM 1558 OG1 THR A 91 -105.877 -10.686 11.602 1.00 0.00 O ATOM 1559 CG2 THR A 91 -104.370 -12.267 12.418 1.00 0.00 C ATOM 0 H THR A 91 -104.769 -11.345 15.698 1.00 0.00 H new ATOM 0 HA THR A 91 -106.225 -9.738 13.856 1.00 0.00 H new ATOM 0 HB THR A 91 -104.040 -10.144 12.586 1.00 0.00 H new ATOM 0 HG1 THR A 91 -105.465 -10.784 10.718 1.00 0.00 H new ATOM 0 HG21 THR A 91 -103.833 -12.338 11.472 1.00 0.00 H new ATOM 0 HG22 THR A 91 -103.699 -12.526 13.237 1.00 0.00 H new ATOM 0 HG23 THR A 91 -105.214 -12.957 12.408 1.00 0.00 H new ATOM 1567 N GLN A 92 -107.849 -11.352 14.619 1.00 0.00 N ATOM 1568 CA GLN A 92 -108.917 -12.294 14.907 1.00 0.00 C ATOM 1569 C GLN A 92 -108.805 -12.799 16.348 1.00 0.00 C ATOM 1570 O GLN A 92 -109.810 -12.926 17.045 1.00 0.00 O ATOM 1571 CB GLN A 92 -108.903 -13.459 13.916 1.00 0.00 C ATOM 1572 CG GLN A 92 -108.582 -12.972 12.501 1.00 0.00 C ATOM 1573 CD GLN A 92 -109.641 -13.446 11.504 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -109.522 -14.489 10.883 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -110.680 -12.625 11.387 1.00 0.00 N ATOM 0 H GLN A 92 -108.088 -10.374 14.781 1.00 0.00 H new ATOM 0 HA GLN A 92 -109.870 -11.777 14.796 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -108.163 -14.197 14.227 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -109.872 -13.958 13.922 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -108.529 -11.883 12.491 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -107.602 -13.342 12.199 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -110.716 -11.767 11.937 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -111.441 -12.853 10.747 1.00 0.00 H new TER 1584 GLN A 92