USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 964 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD NoAdj-H: A 107 HIS HD1 : A 107 HIS ND1 : A 502 ZNZN :(H bumps) USER MOD Set 1.1: A 37 ASN : amide:sc= 1.03 K(o=1.7,f=-3) USER MOD Set 1.2: A 81 HIS : no HE2:sc= 2.13 K(o=1.7,f=-19!) USER MOD Set 1.3: A 100 HIS : no HE2:sc= -1.47 K(o=1.7,f=-14!) USER MOD Set 2.1: A 38 GLN : amide:sc= -0.894 X(o=0.51,f=0.41) USER MOD Set 2.2: A 42 LYS NZ :NH3+ -144:sc= 1.41 (180deg=1.03) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0282) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.045 K(o=-0.045,f=-0.67) USER MOD Single : A 13 GLN : amide:sc= -0.0497 X(o=-0.05,f=-0.023) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.19) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.002) USER MOD Single : A 24 LYS NZ :NH3+ 140:sc= 1.25 (180deg=0.938) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.12 K(o=-0.12,f=-9.4!) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= 1.2 (180deg=1.02) USER MOD Single : A 46 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.14) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 53:sc= 0.98 USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= -0.13 (180deg=-0.481) USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= 1.13 (180deg=0.997) USER MOD Single : A 60 ASN : amide:sc= -1.45 K(o=-1.5,f=-5.6!) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= 1.78 (180deg=0.941) USER MOD Single : A 65 GLN : amide:sc= -0.562 K(o=-0.56,f=-1.9!) USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.03) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -122:sc= 0.695 (180deg=-0.454!) USER MOD Single : A 85 SER OG : rot -80:sc= 1.24 USER MOD Single : A 86 LYS NZ :NH3+ -136:sc= 1.02 (180deg=-0.363) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 89 ASN : amide:sc= -0.269 K(o=-0.27,f=-3.3) USER MOD Single : A 92 GLN : amide:sc= -0.764 X(o=-0.76,f=-0.76) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.292 K(o=-0.29,f=-1.5) USER MOD Single : A 99 GLN : amide:sc= -0.764 K(o=-0.76,f=-5.7!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 105 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.4) USER MOD Single : A 113 LYS NZ :NH3+ 175:sc= 2.38 (180deg=2.34) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.613 K(o=-0.61,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.579 -17.873 -0.967 1.00 0.00 N ATOM 2 CA MET A 1 -17.024 -16.782 -0.067 1.00 0.00 C ATOM 3 C MET A 1 -16.027 -15.629 -0.080 1.00 0.00 C ATOM 4 O MET A 1 -16.344 -14.527 -0.530 1.00 0.00 O ATOM 5 CB MET A 1 -17.203 -17.292 1.367 1.00 0.00 C ATOM 6 CG MET A 1 -18.333 -18.294 1.523 1.00 0.00 C ATOM 7 SD MET A 1 -18.566 -18.815 3.232 1.00 0.00 S ATOM 8 CE MET A 1 -19.940 -19.950 3.059 1.00 0.00 C ATOM 0 H1 MET A 1 -17.319 -18.602 -1.022 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.401 -17.489 -1.917 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.705 -18.295 -0.595 1.00 0.00 H new ATOM 0 HA MET A 1 -17.985 -16.424 -0.435 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.272 -17.753 1.698 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.389 -16.443 2.024 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.258 -17.853 1.152 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.126 -19.168 0.905 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.201 -20.357 4.036 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.799 -19.422 2.645 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.658 -20.764 2.391 1.00 0.00 H new ATOM 20 N ASP A 2 -14.817 -15.895 0.407 1.00 0.00 N ATOM 21 CA ASP A 2 -13.769 -14.882 0.460 1.00 0.00 C ATOM 22 C ASP A 2 -13.215 -14.599 -0.928 1.00 0.00 C ATOM 23 O ASP A 2 -12.368 -15.334 -1.435 1.00 0.00 O ATOM 24 CB ASP A 2 -12.632 -15.315 1.389 1.00 0.00 C ATOM 25 CG ASP A 2 -13.012 -15.254 2.853 1.00 0.00 C ATOM 26 OD1 ASP A 2 -12.857 -14.179 3.467 1.00 0.00 O ATOM 27 OD2 ASP A 2 -13.452 -16.286 3.403 1.00 0.00 O ATOM 0 H ASP A 2 -14.539 -16.806 0.771 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.217 -13.970 0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.333 -16.333 1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.766 -14.676 1.217 1.00 0.00 H new ATOM 32 N GLU A 3 -13.724 -13.549 -1.547 1.00 0.00 N ATOM 33 CA GLU A 3 -13.248 -13.119 -2.849 1.00 0.00 C ATOM 34 C GLU A 3 -12.773 -11.672 -2.771 1.00 0.00 C ATOM 35 O GLU A 3 -13.491 -10.740 -3.134 1.00 0.00 O ATOM 36 CB GLU A 3 -14.352 -13.276 -3.898 1.00 0.00 C ATOM 37 CG GLU A 3 -14.783 -14.720 -4.114 1.00 0.00 C ATOM 38 CD GLU A 3 -16.025 -14.841 -4.967 1.00 0.00 C ATOM 39 OE1 GLU A 3 -15.930 -14.671 -6.199 1.00 0.00 O ATOM 40 OE2 GLU A 3 -17.112 -15.113 -4.407 1.00 0.00 O ATOM 0 H GLU A 3 -14.474 -12.974 -1.164 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.408 -13.746 -3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.218 -12.688 -3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.004 -12.863 -4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.969 -15.270 -4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.965 -15.188 -3.147 1.00 0.00 H new ATOM 47 N LEU A 4 -11.557 -11.496 -2.272 1.00 0.00 N ATOM 48 CA LEU A 4 -10.996 -10.168 -2.039 1.00 0.00 C ATOM 49 C LEU A 4 -10.148 -9.720 -3.225 1.00 0.00 C ATOM 50 O LEU A 4 -9.098 -9.106 -3.047 1.00 0.00 O ATOM 51 CB LEU A 4 -10.136 -10.155 -0.763 1.00 0.00 C ATOM 52 CG LEU A 4 -10.881 -10.377 0.562 1.00 0.00 C ATOM 53 CD1 LEU A 4 -11.276 -11.835 0.736 1.00 0.00 C ATOM 54 CD2 LEU A 4 -10.025 -9.921 1.735 1.00 0.00 C ATOM 0 H LEU A 4 -10.934 -12.263 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.829 -9.476 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.371 -10.925 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.619 -9.197 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.793 -9.781 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.801 -11.959 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.929 -12.135 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.381 -12.457 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.567 -10.085 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.096 -10.491 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.798 -8.860 1.629 1.00 0.00 H new ATOM 66 N ARG A 5 -10.627 -9.999 -4.434 1.00 0.00 N ATOM 67 CA ARG A 5 -9.877 -9.685 -5.649 1.00 0.00 C ATOM 68 C ARG A 5 -9.617 -8.185 -5.765 1.00 0.00 C ATOM 69 O ARG A 5 -8.476 -7.761 -5.940 1.00 0.00 O ATOM 70 CB ARG A 5 -10.629 -10.177 -6.888 1.00 0.00 C ATOM 71 CG ARG A 5 -10.753 -11.691 -6.980 1.00 0.00 C ATOM 72 CD ARG A 5 -11.507 -12.108 -8.235 1.00 0.00 C ATOM 73 NE ARG A 5 -11.646 -13.561 -8.349 1.00 0.00 N ATOM 74 CZ ARG A 5 -12.709 -14.167 -8.885 1.00 0.00 C ATOM 75 NH1 ARG A 5 -13.748 -13.451 -9.300 1.00 0.00 N ATOM 76 NH2 ARG A 5 -12.737 -15.488 -9.005 1.00 0.00 N ATOM 0 H ARG A 5 -11.531 -10.442 -4.600 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.917 -10.198 -5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.628 -9.741 -6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.119 -9.810 -7.779 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -9.760 -12.140 -6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.271 -12.070 -6.099 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.497 -11.651 -8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.985 -11.726 -9.112 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.887 -14.145 -7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.736 -12.435 -9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.558 -13.917 -9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.944 -16.046 -8.687 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.551 -15.946 -9.415 1.00 0.00 H new ATOM 90 N GLU A 6 -10.671 -7.390 -5.623 1.00 0.00 N ATOM 91 CA GLU A 6 -10.559 -5.939 -5.748 1.00 0.00 C ATOM 92 C GLU A 6 -9.747 -5.359 -4.591 1.00 0.00 C ATOM 93 O GLU A 6 -9.006 -4.387 -4.759 1.00 0.00 O ATOM 94 CB GLU A 6 -11.947 -5.290 -5.808 1.00 0.00 C ATOM 95 CG GLU A 6 -12.792 -5.506 -4.561 1.00 0.00 C ATOM 96 CD GLU A 6 -14.160 -4.873 -4.675 1.00 0.00 C ATOM 97 OE1 GLU A 6 -14.259 -3.636 -4.529 1.00 0.00 O ATOM 98 OE2 GLU A 6 -15.141 -5.608 -4.911 1.00 0.00 O ATOM 0 H GLU A 6 -11.613 -7.724 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.037 -5.718 -6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.828 -4.219 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.484 -5.686 -6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.903 -6.575 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.273 -5.090 -3.697 1.00 0.00 H new ATOM 105 N LEU A 7 -9.893 -5.966 -3.421 1.00 0.00 N ATOM 106 CA LEU A 7 -9.215 -5.494 -2.221 1.00 0.00 C ATOM 107 C LEU A 7 -7.713 -5.736 -2.319 1.00 0.00 C ATOM 108 O LEU A 7 -6.912 -4.893 -1.914 1.00 0.00 O ATOM 109 CB LEU A 7 -9.780 -6.196 -0.982 1.00 0.00 C ATOM 110 CG LEU A 7 -11.304 -6.118 -0.821 1.00 0.00 C ATOM 111 CD1 LEU A 7 -11.742 -6.785 0.472 1.00 0.00 C ATOM 112 CD2 LEU A 7 -11.781 -4.675 -0.866 1.00 0.00 C ATOM 0 H LEU A 7 -10.477 -6.790 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.387 -4.421 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.488 -7.246 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.315 -5.763 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.759 -6.652 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.826 -6.719 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.442 -7.833 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.272 -6.283 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.864 -4.646 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.314 -4.112 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.507 -4.231 -1.823 1.00 0.00 H new ATOM 124 N LEU A 8 -7.341 -6.888 -2.865 1.00 0.00 N ATOM 125 CA LEU A 8 -5.939 -7.237 -3.044 1.00 0.00 C ATOM 126 C LEU A 8 -5.321 -6.372 -4.140 1.00 0.00 C ATOM 127 O LEU A 8 -4.173 -5.939 -4.033 1.00 0.00 O ATOM 128 CB LEU A 8 -5.815 -8.734 -3.380 1.00 0.00 C ATOM 129 CG LEU A 8 -4.411 -9.351 -3.259 1.00 0.00 C ATOM 130 CD1 LEU A 8 -3.548 -9.012 -4.467 1.00 0.00 C ATOM 131 CD2 LEU A 8 -3.733 -8.893 -1.972 1.00 0.00 C ATOM 0 H LEU A 8 -7.995 -7.599 -3.192 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.395 -7.048 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.488 -9.287 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.167 -8.885 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.527 -10.434 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.563 -9.464 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.019 -9.399 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.444 -7.930 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.741 -9.340 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.642 -7.807 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.330 -9.205 -1.115 1.00 0.00 H new ATOM 143 N LYS A 9 -6.100 -6.111 -5.189 1.00 0.00 N ATOM 144 CA LYS A 9 -5.653 -5.270 -6.293 1.00 0.00 C ATOM 145 C LYS A 9 -5.285 -3.870 -5.810 1.00 0.00 C ATOM 146 O LYS A 9 -4.418 -3.222 -6.386 1.00 0.00 O ATOM 147 CB LYS A 9 -6.705 -5.193 -7.402 1.00 0.00 C ATOM 148 CG LYS A 9 -6.872 -6.500 -8.169 1.00 0.00 C ATOM 149 CD LYS A 9 -7.793 -6.345 -9.371 1.00 0.00 C ATOM 150 CE LYS A 9 -7.192 -5.412 -10.410 1.00 0.00 C ATOM 151 NZ LYS A 9 -8.065 -5.260 -11.604 1.00 0.00 N ATOM 0 H LYS A 9 -7.048 -6.473 -5.295 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.758 -5.735 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.663 -4.912 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.429 -4.403 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.896 -6.851 -8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.273 -7.263 -7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.977 -7.321 -9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.758 -5.957 -9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.021 -4.434 -9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.220 -5.795 -10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.614 -4.615 -12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.208 -6.189 -12.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.984 -4.870 -11.314 1.00 0.00 H new ATOM 165 N ALA A 10 -5.962 -3.399 -4.767 1.00 0.00 N ATOM 166 CA ALA A 10 -5.661 -2.095 -4.180 1.00 0.00 C ATOM 167 C ALA A 10 -4.202 -2.021 -3.720 1.00 0.00 C ATOM 168 O ALA A 10 -3.511 -1.035 -3.978 1.00 0.00 O ATOM 169 CB ALA A 10 -6.602 -1.805 -3.019 1.00 0.00 C ATOM 0 H ALA A 10 -6.724 -3.900 -4.310 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.810 -1.336 -4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.365 -0.830 -2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.632 -1.804 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.485 -2.573 -2.255 1.00 0.00 H new ATOM 175 N GLU A 11 -3.734 -3.073 -3.054 1.00 0.00 N ATOM 176 CA GLU A 11 -2.337 -3.154 -2.628 1.00 0.00 C ATOM 177 C GLU A 11 -1.412 -3.245 -3.840 1.00 0.00 C ATOM 178 O GLU A 11 -0.358 -2.611 -3.878 1.00 0.00 O ATOM 179 CB GLU A 11 -2.128 -4.362 -1.708 1.00 0.00 C ATOM 180 CG GLU A 11 -2.724 -4.185 -0.319 1.00 0.00 C ATOM 181 CD GLU A 11 -1.848 -3.348 0.597 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.634 -2.163 0.345 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.336 -3.865 1.602 1.00 0.00 O ATOM 0 H GLU A 11 -4.300 -3.882 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.093 -2.248 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.570 -5.243 -2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.059 -4.554 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.703 -3.715 -0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.880 -5.165 0.132 1.00 0.00 H new ATOM 190 N GLN A 12 -1.824 -4.026 -4.835 1.00 0.00 N ATOM 191 CA GLN A 12 -1.066 -4.158 -6.073 1.00 0.00 C ATOM 192 C GLN A 12 -0.979 -2.813 -6.795 1.00 0.00 C ATOM 193 O GLN A 12 0.020 -2.504 -7.442 1.00 0.00 O ATOM 194 CB GLN A 12 -1.724 -5.199 -6.977 1.00 0.00 C ATOM 195 CG GLN A 12 -1.705 -6.609 -6.407 1.00 0.00 C ATOM 196 CD GLN A 12 -0.308 -7.203 -6.335 1.00 0.00 C ATOM 197 OE1 GLN A 12 0.553 -6.908 -7.164 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.071 -8.042 -5.337 1.00 0.00 N ATOM 0 H GLN A 12 -2.681 -4.578 -4.806 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.055 -4.485 -5.830 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.758 -4.906 -7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.217 -5.201 -7.942 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.140 -6.597 -5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.336 -7.252 -7.021 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.810 -8.262 -4.669 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.851 -8.468 -5.236 1.00 0.00 H new ATOM 207 N GLN A 13 -2.039 -2.022 -6.672 1.00 0.00 N ATOM 208 CA GLN A 13 -2.088 -0.686 -7.249 1.00 0.00 C ATOM 209 C GLN A 13 -1.010 0.190 -6.634 1.00 0.00 C ATOM 210 O GLN A 13 -0.304 0.907 -7.345 1.00 0.00 O ATOM 211 CB GLN A 13 -3.469 -0.063 -7.014 1.00 0.00 C ATOM 212 CG GLN A 13 -3.651 1.314 -7.639 1.00 0.00 C ATOM 213 CD GLN A 13 -3.628 1.284 -9.153 1.00 0.00 C ATOM 214 OE1 GLN A 13 -4.663 1.121 -9.796 1.00 0.00 O ATOM 215 NE2 GLN A 13 -2.449 1.441 -9.732 1.00 0.00 N ATOM 0 H GLN A 13 -2.886 -2.289 -6.170 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.911 -0.760 -8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.230 -0.734 -7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.643 0.012 -5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.598 1.737 -7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.862 1.976 -7.282 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.614 1.574 -9.161 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.375 1.429 -10.749 1.00 0.00 H new ATOM 224 N GLY A 14 -0.891 0.123 -5.313 1.00 0.00 N ATOM 225 CA GLY A 14 0.136 0.874 -4.622 1.00 0.00 C ATOM 226 C GLY A 14 1.523 0.448 -5.051 1.00 0.00 C ATOM 227 O GLY A 14 2.362 1.289 -5.365 1.00 0.00 O ATOM 0 H GLY A 14 -1.490 -0.440 -4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.004 1.938 -4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.028 0.734 -3.546 1.00 0.00 H new ATOM 231 N ILE A 15 1.745 -0.862 -5.101 1.00 0.00 N ATOM 232 CA ILE A 15 3.030 -1.417 -5.520 1.00 0.00 C ATOM 233 C ILE A 15 3.366 -0.986 -6.949 1.00 0.00 C ATOM 234 O ILE A 15 4.501 -0.613 -7.243 1.00 0.00 O ATOM 235 CB ILE A 15 3.026 -2.961 -5.433 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.767 -3.408 -3.994 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.343 -3.537 -5.939 1.00 0.00 C ATOM 238 CD1 ILE A 15 2.621 -4.907 -3.836 1.00 0.00 C ATOM 0 H ILE A 15 1.047 -1.564 -4.855 1.00 0.00 H new ATOM 0 HA ILE A 15 3.790 -1.030 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 15 2.225 -3.338 -6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.587 -3.064 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.861 -2.924 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.316 -4.624 -5.868 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.492 -3.245 -6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.164 -3.154 -5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.439 -5.146 -2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.783 -5.256 -4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.536 -5.399 -4.167 1.00 0.00 H new ATOM 250 N LYS A 16 2.368 -1.035 -7.823 1.00 0.00 N ATOM 251 CA LYS A 16 2.521 -0.609 -9.210 1.00 0.00 C ATOM 252 C LYS A 16 3.010 0.834 -9.275 1.00 0.00 C ATOM 253 O LYS A 16 3.912 1.160 -10.049 1.00 0.00 O ATOM 254 CB LYS A 16 1.182 -0.769 -9.945 1.00 0.00 C ATOM 255 CG LYS A 16 1.198 -0.360 -11.412 1.00 0.00 C ATOM 256 CD LYS A 16 0.805 1.100 -11.595 1.00 0.00 C ATOM 257 CE LYS A 16 0.601 1.445 -13.061 1.00 0.00 C ATOM 258 NZ LYS A 16 1.872 1.447 -13.829 1.00 0.00 N ATOM 0 H LYS A 16 1.433 -1.370 -7.592 1.00 0.00 H new ATOM 0 HA LYS A 16 3.268 -1.235 -9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.871 -1.811 -9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.428 -0.177 -9.427 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.194 -0.523 -11.824 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.513 -0.994 -11.974 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.112 1.303 -11.042 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.579 1.741 -11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.088 0.727 -13.507 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.133 2.426 -13.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.690 1.770 -14.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.552 2.088 -13.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.265 0.484 -13.852 1.00 0.00 H new ATOM 272 N ILE A 17 2.412 1.689 -8.455 1.00 0.00 N ATOM 273 CA ILE A 17 2.813 3.088 -8.394 1.00 0.00 C ATOM 274 C ILE A 17 4.208 3.229 -7.783 1.00 0.00 C ATOM 275 O ILE A 17 5.038 3.983 -8.290 1.00 0.00 O ATOM 276 CB ILE A 17 1.809 3.939 -7.585 1.00 0.00 C ATOM 277 CG1 ILE A 17 0.406 3.812 -8.182 1.00 0.00 C ATOM 278 CG2 ILE A 17 2.245 5.398 -7.561 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.670 4.510 -7.376 1.00 0.00 C ATOM 0 H ILE A 17 1.650 1.439 -7.825 1.00 0.00 H new ATOM 0 HA ILE A 17 2.828 3.457 -9.419 1.00 0.00 H new ATOM 0 HB ILE A 17 1.787 3.569 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.413 4.222 -9.192 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.153 2.755 -8.269 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.526 5.983 -6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.229 5.476 -7.098 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.292 5.780 -8.581 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.635 4.374 -7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.707 4.085 -6.373 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.443 5.574 -7.311 1.00 0.00 H new ATOM 291 N LEU A 18 4.467 2.478 -6.711 1.00 0.00 N ATOM 292 CA LEU A 18 5.762 2.523 -6.025 1.00 0.00 C ATOM 293 C LEU A 18 6.902 2.191 -6.987 1.00 0.00 C ATOM 294 O LEU A 18 7.980 2.785 -6.912 1.00 0.00 O ATOM 295 CB LEU A 18 5.780 1.546 -4.839 1.00 0.00 C ATOM 296 CG LEU A 18 4.762 1.829 -3.727 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.780 0.710 -2.698 1.00 0.00 C ATOM 298 CD2 LEU A 18 5.036 3.165 -3.051 1.00 0.00 C ATOM 0 H LEU A 18 3.797 1.830 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 18 5.906 3.537 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.605 0.539 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.779 1.552 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 18 3.774 1.878 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.053 0.924 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.525 -0.233 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.775 0.636 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.297 3.335 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.034 3.153 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.974 3.965 -3.788 1.00 0.00 H new ATOM 310 N LYS A 19 6.657 1.249 -7.898 1.00 0.00 N ATOM 311 CA LYS A 19 7.642 0.886 -8.916 1.00 0.00 C ATOM 312 C LYS A 19 8.037 2.099 -9.754 1.00 0.00 C ATOM 313 O LYS A 19 9.206 2.293 -10.077 1.00 0.00 O ATOM 314 CB LYS A 19 7.098 -0.202 -9.845 1.00 0.00 C ATOM 315 CG LYS A 19 6.894 -1.555 -9.186 1.00 0.00 C ATOM 316 CD LYS A 19 6.424 -2.582 -10.204 1.00 0.00 C ATOM 317 CE LYS A 19 6.264 -3.965 -9.594 1.00 0.00 C ATOM 318 NZ LYS A 19 5.808 -4.954 -10.608 1.00 0.00 N ATOM 0 H LYS A 19 5.784 0.724 -7.951 1.00 0.00 H new ATOM 0 HA LYS A 19 8.520 0.508 -8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.146 0.134 -10.257 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.784 -0.321 -10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.827 -1.888 -8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.161 -1.468 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.472 -2.262 -10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.139 -2.630 -11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.214 -4.289 -9.168 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.546 -3.923 -8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.708 -5.888 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.890 -4.656 -10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.507 -5.011 -11.376 1.00 0.00 H new ATOM 332 N GLU A 20 7.053 2.905 -10.118 1.00 0.00 N ATOM 333 CA GLU A 20 7.297 4.085 -10.932 1.00 0.00 C ATOM 334 C GLU A 20 7.934 5.198 -10.104 1.00 0.00 C ATOM 335 O GLU A 20 8.732 5.983 -10.616 1.00 0.00 O ATOM 336 CB GLU A 20 6.004 4.558 -11.594 1.00 0.00 C ATOM 337 CG GLU A 20 5.438 3.533 -12.563 1.00 0.00 C ATOM 338 CD GLU A 20 4.237 4.038 -13.331 1.00 0.00 C ATOM 339 OE1 GLU A 20 4.420 4.828 -14.282 1.00 0.00 O ATOM 340 OE2 GLU A 20 3.108 3.624 -13.011 1.00 0.00 O ATOM 0 H GLU A 20 6.076 2.763 -9.862 1.00 0.00 H new ATOM 0 HA GLU A 20 8.000 3.817 -11.720 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.263 4.773 -10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.192 5.491 -12.126 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.216 3.242 -13.269 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.157 2.637 -12.010 1.00 0.00 H new ATOM 347 N VAL A 21 7.576 5.261 -8.826 1.00 0.00 N ATOM 348 CA VAL A 21 8.135 6.261 -7.921 1.00 0.00 C ATOM 349 C VAL A 21 9.652 6.126 -7.827 1.00 0.00 C ATOM 350 O VAL A 21 10.370 7.121 -7.898 1.00 0.00 O ATOM 351 CB VAL A 21 7.532 6.159 -6.502 1.00 0.00 C ATOM 352 CG1 VAL A 21 8.149 7.192 -5.570 1.00 0.00 C ATOM 353 CG2 VAL A 21 6.025 6.335 -6.548 1.00 0.00 C ATOM 0 H VAL A 21 6.901 4.631 -8.392 1.00 0.00 H new ATOM 0 HA VAL A 21 7.879 7.235 -8.339 1.00 0.00 H new ATOM 0 HB VAL A 21 7.759 5.166 -6.114 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.706 7.098 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.224 7.027 -5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.959 8.192 -5.959 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.619 6.260 -5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.786 7.314 -6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.587 5.558 -7.174 1.00 0.00 H new ATOM 363 N LEU A 22 10.143 4.897 -7.685 1.00 0.00 N ATOM 364 CA LEU A 22 11.584 4.673 -7.599 1.00 0.00 C ATOM 365 C LEU A 22 12.269 5.072 -8.906 1.00 0.00 C ATOM 366 O LEU A 22 13.387 5.584 -8.894 1.00 0.00 O ATOM 367 CB LEU A 22 11.909 3.221 -7.197 1.00 0.00 C ATOM 368 CG LEU A 22 11.424 2.112 -8.140 1.00 0.00 C ATOM 369 CD1 LEU A 22 12.456 1.822 -9.220 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.110 0.848 -7.353 1.00 0.00 C ATOM 0 H LEU A 22 9.574 4.052 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 22 11.980 5.311 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.991 3.131 -7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.481 3.039 -6.211 1.00 0.00 H new ATOM 0 HG LEU A 22 10.513 2.457 -8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.086 1.032 -9.874 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.634 2.724 -9.805 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.389 1.501 -8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.767 0.070 -8.035 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.008 0.508 -6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.330 1.059 -6.622 1.00 0.00 H new ATOM 382 N LYS A 23 11.585 4.853 -10.029 1.00 0.00 N ATOM 383 CA LYS A 23 12.092 5.282 -11.331 1.00 0.00 C ATOM 384 C LYS A 23 12.197 6.804 -11.373 1.00 0.00 C ATOM 385 O LYS A 23 13.224 7.364 -11.760 1.00 0.00 O ATOM 386 CB LYS A 23 11.160 4.826 -12.459 1.00 0.00 C ATOM 387 CG LYS A 23 10.983 3.321 -12.582 1.00 0.00 C ATOM 388 CD LYS A 23 9.951 2.996 -13.652 1.00 0.00 C ATOM 389 CE LYS A 23 9.668 1.505 -13.756 1.00 0.00 C ATOM 390 NZ LYS A 23 10.842 0.740 -14.253 1.00 0.00 N ATOM 0 H LYS A 23 10.681 4.382 -10.063 1.00 0.00 H new ATOM 0 HA LYS A 23 13.075 4.832 -11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.181 5.280 -12.306 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.545 5.209 -13.404 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.936 2.855 -12.833 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.668 2.906 -11.625 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.024 3.524 -13.430 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.304 3.364 -14.616 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.377 1.124 -12.777 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.823 1.344 -14.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.595 -0.268 -14.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.116 1.095 -15.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.637 0.857 -13.593 1.00 0.00 H new ATOM 404 N LYS A 24 11.129 7.462 -10.940 1.00 0.00 N ATOM 405 CA LYS A 24 11.043 8.915 -10.977 1.00 0.00 C ATOM 406 C LYS A 24 11.944 9.557 -9.930 1.00 0.00 C ATOM 407 O LYS A 24 12.312 10.725 -10.051 1.00 0.00 O ATOM 408 CB LYS A 24 9.589 9.359 -10.790 1.00 0.00 C ATOM 409 CG LYS A 24 8.730 9.115 -12.021 1.00 0.00 C ATOM 410 CD LYS A 24 9.257 9.889 -13.217 1.00 0.00 C ATOM 411 CE LYS A 24 8.527 9.520 -14.496 1.00 0.00 C ATOM 412 NZ LYS A 24 9.083 10.240 -15.671 1.00 0.00 N ATOM 0 H LYS A 24 10.302 7.005 -10.555 1.00 0.00 H new ATOM 0 HA LYS A 24 11.392 9.250 -11.954 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.159 8.826 -9.942 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.568 10.421 -10.544 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.714 8.050 -12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.702 9.413 -11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.150 10.958 -13.033 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.322 9.691 -13.337 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.600 8.445 -14.660 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.468 9.756 -14.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.120 9.596 -16.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.476 11.053 -15.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.043 10.575 -15.451 1.00 0.00 H new ATOM 426 N ALA A 25 12.303 8.794 -8.909 1.00 0.00 N ATOM 427 CA ALA A 25 13.239 9.267 -7.901 1.00 0.00 C ATOM 428 C ALA A 25 14.645 9.363 -8.481 1.00 0.00 C ATOM 429 O ALA A 25 15.428 10.232 -8.101 1.00 0.00 O ATOM 430 CB ALA A 25 13.222 8.351 -6.688 1.00 0.00 C ATOM 0 H ALA A 25 11.961 7.845 -8.757 1.00 0.00 H new ATOM 0 HA ALA A 25 12.930 10.263 -7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.928 8.720 -5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.220 8.333 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.506 7.343 -6.989 1.00 0.00 H new ATOM 436 N LYS A 26 14.960 8.457 -9.401 1.00 0.00 N ATOM 437 CA LYS A 26 16.240 8.481 -10.100 1.00 0.00 C ATOM 438 C LYS A 26 16.277 9.629 -11.105 1.00 0.00 C ATOM 439 O LYS A 26 17.333 10.196 -11.389 1.00 0.00 O ATOM 440 CB LYS A 26 16.484 7.147 -10.809 1.00 0.00 C ATOM 441 CG LYS A 26 16.499 5.955 -9.867 1.00 0.00 C ATOM 442 CD LYS A 26 16.743 4.654 -10.608 1.00 0.00 C ATOM 443 CE LYS A 26 16.739 3.475 -9.652 1.00 0.00 C ATOM 444 NZ LYS A 26 17.104 2.205 -10.328 1.00 0.00 N ATOM 0 H LYS A 26 14.344 7.694 -9.681 1.00 0.00 H new ATOM 0 HA LYS A 26 17.032 8.636 -9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.709 6.997 -11.560 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.436 7.194 -11.338 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.275 6.096 -9.115 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.548 5.899 -9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.974 4.514 -11.367 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.699 4.702 -11.129 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.439 3.666 -8.839 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.750 3.375 -9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.088 1.427 -9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.422 2.007 -11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.058 2.289 -10.733 1.00 0.00 H new ATOM 458 N GLU A 27 15.109 9.962 -11.643 1.00 0.00 N ATOM 459 CA GLU A 27 14.980 11.062 -12.587 1.00 0.00 C ATOM 460 C GLU A 27 14.985 12.401 -11.861 1.00 0.00 C ATOM 461 O GLU A 27 15.496 13.394 -12.374 1.00 0.00 O ATOM 462 CB GLU A 27 13.689 10.919 -13.395 1.00 0.00 C ATOM 463 CG GLU A 27 13.692 9.729 -14.341 1.00 0.00 C ATOM 464 CD GLU A 27 12.353 9.508 -15.016 1.00 0.00 C ATOM 465 OE1 GLU A 27 11.794 10.470 -15.589 1.00 0.00 O ATOM 466 OE2 GLU A 27 11.844 8.370 -14.976 1.00 0.00 O ATOM 0 H GLU A 27 14.233 9.481 -11.438 1.00 0.00 H new ATOM 0 HA GLU A 27 15.833 11.028 -13.264 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.849 10.824 -12.707 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.528 11.830 -13.971 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.457 9.879 -15.103 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.966 8.831 -13.787 1.00 0.00 H new ATOM 473 N GLY A 28 14.427 12.415 -10.658 1.00 0.00 N ATOM 474 CA GLY A 28 14.281 13.656 -9.926 1.00 0.00 C ATOM 475 C GLY A 28 13.182 14.510 -10.517 1.00 0.00 C ATOM 476 O GLY A 28 13.314 15.729 -10.625 1.00 0.00 O ATOM 0 H GLY A 28 14.073 11.588 -10.176 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.057 13.441 -8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.222 14.205 -9.944 1.00 0.00 H new ATOM 480 N ASP A 29 12.099 13.855 -10.910 1.00 0.00 N ATOM 481 CA ASP A 29 10.991 14.527 -11.570 1.00 0.00 C ATOM 482 C ASP A 29 9.932 14.913 -10.548 1.00 0.00 C ATOM 483 O ASP A 29 9.141 14.076 -10.121 1.00 0.00 O ATOM 484 CB ASP A 29 10.381 13.613 -12.634 1.00 0.00 C ATOM 485 CG ASP A 29 9.434 14.348 -13.559 1.00 0.00 C ATOM 486 OD1 ASP A 29 8.446 14.936 -13.070 1.00 0.00 O ATOM 487 OD2 ASP A 29 9.685 14.346 -14.782 1.00 0.00 O ATOM 0 H ASP A 29 11.965 12.852 -10.782 1.00 0.00 H new ATOM 0 HA ASP A 29 11.364 15.431 -12.052 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.180 13.162 -13.222 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.846 12.799 -12.145 1.00 0.00 H new ATOM 492 N GLU A 30 9.934 16.177 -10.154 1.00 0.00 N ATOM 493 CA GLU A 30 9.026 16.674 -9.123 1.00 0.00 C ATOM 494 C GLU A 30 7.563 16.496 -9.528 1.00 0.00 C ATOM 495 O GLU A 30 6.733 16.115 -8.705 1.00 0.00 O ATOM 496 CB GLU A 30 9.302 18.155 -8.857 1.00 0.00 C ATOM 497 CG GLU A 30 8.414 18.766 -7.780 1.00 0.00 C ATOM 498 CD GLU A 30 8.440 20.281 -7.789 1.00 0.00 C ATOM 499 OE1 GLU A 30 7.677 20.885 -8.573 1.00 0.00 O ATOM 500 OE2 GLU A 30 9.218 20.877 -7.015 1.00 0.00 O ATOM 0 H GLU A 30 10.560 16.886 -10.535 1.00 0.00 H new ATOM 0 HA GLU A 30 9.202 16.093 -8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.345 18.273 -8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.167 18.712 -9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.389 18.424 -7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.737 18.407 -6.803 1.00 0.00 H new ATOM 507 N GLN A 31 7.261 16.772 -10.793 1.00 0.00 N ATOM 508 CA GLN A 31 5.886 16.720 -11.281 1.00 0.00 C ATOM 509 C GLN A 31 5.334 15.307 -11.119 1.00 0.00 C ATOM 510 O GLN A 31 4.278 15.106 -10.516 1.00 0.00 O ATOM 511 CB GLN A 31 5.855 17.160 -12.757 1.00 0.00 C ATOM 512 CG GLN A 31 4.477 17.496 -13.324 1.00 0.00 C ATOM 513 CD GLN A 31 3.568 16.290 -13.484 1.00 0.00 C ATOM 514 OE1 GLN A 31 2.740 15.998 -12.623 1.00 0.00 O ATOM 515 NE2 GLN A 31 3.714 15.583 -14.589 1.00 0.00 N ATOM 0 H GLN A 31 7.949 17.034 -11.499 1.00 0.00 H new ATOM 0 HA GLN A 31 5.259 17.397 -10.701 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.496 18.035 -12.869 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.292 16.366 -13.362 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.992 18.220 -12.669 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.601 17.977 -14.294 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.412 15.856 -15.281 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.129 14.763 -14.751 1.00 0.00 H new ATOM 524 N GLU A 32 6.085 14.332 -11.600 1.00 0.00 N ATOM 525 CA GLU A 32 5.666 12.944 -11.522 1.00 0.00 C ATOM 526 C GLU A 32 5.738 12.425 -10.092 1.00 0.00 C ATOM 527 O GLU A 32 4.865 11.682 -9.659 1.00 0.00 O ATOM 528 CB GLU A 32 6.511 12.079 -12.455 1.00 0.00 C ATOM 529 CG GLU A 32 6.253 12.358 -13.927 1.00 0.00 C ATOM 530 CD GLU A 32 4.862 11.938 -14.360 1.00 0.00 C ATOM 531 OE1 GLU A 32 4.686 10.760 -14.738 1.00 0.00 O ATOM 532 OE2 GLU A 32 3.937 12.777 -14.326 1.00 0.00 O ATOM 0 H GLU A 32 6.989 14.476 -12.049 1.00 0.00 H new ATOM 0 HA GLU A 32 4.626 12.887 -11.843 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.566 12.247 -12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.307 11.028 -12.250 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.385 13.423 -14.121 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.993 11.830 -14.529 1.00 0.00 H new ATOM 539 N LEU A 33 6.767 12.831 -9.357 1.00 0.00 N ATOM 540 CA LEU A 33 6.917 12.433 -7.959 1.00 0.00 C ATOM 541 C LEU A 33 5.720 12.892 -7.132 1.00 0.00 C ATOM 542 O LEU A 33 5.174 12.123 -6.341 1.00 0.00 O ATOM 543 CB LEU A 33 8.213 13.005 -7.372 1.00 0.00 C ATOM 544 CG LEU A 33 9.490 12.249 -7.750 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.712 12.949 -7.176 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.418 10.812 -7.254 1.00 0.00 C ATOM 0 H LEU A 33 7.511 13.436 -9.705 1.00 0.00 H new ATOM 0 HA LEU A 33 6.965 11.345 -7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.314 14.041 -7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.126 13.018 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 33 9.579 12.238 -8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.611 12.399 -7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.770 13.963 -7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.632 12.988 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.332 10.286 -7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.309 10.806 -6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.562 10.313 -7.707 1.00 0.00 H new ATOM 558 N ALA A 34 5.312 14.142 -7.323 1.00 0.00 N ATOM 559 CA ALA A 34 4.157 14.683 -6.619 1.00 0.00 C ATOM 560 C ALA A 34 2.886 13.949 -7.032 1.00 0.00 C ATOM 561 O ALA A 34 2.062 13.589 -6.190 1.00 0.00 O ATOM 562 CB ALA A 34 4.018 16.177 -6.884 1.00 0.00 C ATOM 0 H ALA A 34 5.764 14.799 -7.959 1.00 0.00 H new ATOM 0 HA ALA A 34 4.309 14.536 -5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.150 16.562 -6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.914 16.693 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.890 16.347 -7.953 1.00 0.00 H new ATOM 568 N ARG A 35 2.741 13.730 -8.334 1.00 0.00 N ATOM 569 CA ARG A 35 1.613 13.012 -8.883 1.00 0.00 C ATOM 570 C ARG A 35 1.537 11.596 -8.322 1.00 0.00 C ATOM 571 O ARG A 35 0.488 11.161 -7.849 1.00 0.00 O ATOM 572 CB ARG A 35 1.764 12.958 -10.399 1.00 0.00 C ATOM 573 CG ARG A 35 0.555 12.398 -11.101 1.00 0.00 C ATOM 574 CD ARG A 35 0.713 12.456 -12.607 1.00 0.00 C ATOM 575 NE ARG A 35 0.900 13.827 -13.068 1.00 0.00 N ATOM 576 CZ ARG A 35 0.032 14.474 -13.832 1.00 0.00 C ATOM 577 NH1 ARG A 35 -1.063 13.865 -14.264 1.00 0.00 N ATOM 578 NH2 ARG A 35 0.261 15.733 -14.170 1.00 0.00 N ATOM 0 H ARG A 35 3.409 14.050 -9.035 1.00 0.00 H new ATOM 0 HA ARG A 35 0.694 13.530 -8.610 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.959 13.963 -10.773 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.634 12.350 -10.649 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.398 11.365 -10.790 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.332 12.959 -10.805 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.567 11.849 -12.909 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.168 12.027 -13.084 1.00 0.00 H new ATOM 0 HE ARG A 35 1.749 14.317 -12.786 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.241 12.894 -14.009 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.728 14.368 -14.852 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.105 16.204 -13.842 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.406 16.233 -14.758 1.00 0.00 H new ATOM 592 N LEU A 36 2.661 10.900 -8.356 1.00 0.00 N ATOM 593 CA LEU A 36 2.735 9.534 -7.873 1.00 0.00 C ATOM 594 C LEU A 36 2.450 9.474 -6.380 1.00 0.00 C ATOM 595 O LEU A 36 1.674 8.639 -5.928 1.00 0.00 O ATOM 596 CB LEU A 36 4.111 8.940 -8.177 1.00 0.00 C ATOM 597 CG LEU A 36 4.401 8.713 -9.663 1.00 0.00 C ATOM 598 CD1 LEU A 36 5.820 8.212 -9.856 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.403 7.733 -10.266 1.00 0.00 C ATOM 0 H LEU A 36 3.542 11.265 -8.717 1.00 0.00 H new ATOM 0 HA LEU A 36 1.977 8.945 -8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.875 9.603 -7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.203 7.988 -7.654 1.00 0.00 H new ATOM 0 HG LEU A 36 4.296 9.667 -10.180 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.009 8.056 -10.918 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.522 8.949 -9.467 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.949 7.271 -9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.629 7.587 -11.322 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.471 6.778 -9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.394 8.132 -10.162 1.00 0.00 H new ATOM 611 N ASN A 37 3.055 10.386 -5.625 1.00 0.00 N ATOM 612 CA ASN A 37 2.850 10.445 -4.180 1.00 0.00 C ATOM 613 C ASN A 37 1.374 10.676 -3.866 1.00 0.00 C ATOM 614 O ASN A 37 0.819 10.082 -2.943 1.00 0.00 O ATOM 615 CB ASN A 37 3.705 11.559 -3.564 1.00 0.00 C ATOM 616 CG ASN A 37 3.726 11.526 -2.045 1.00 0.00 C ATOM 617 OD1 ASN A 37 4.553 10.847 -1.443 1.00 0.00 O ATOM 618 ND2 ASN A 37 2.829 12.268 -1.412 1.00 0.00 N ATOM 0 H ASN A 37 3.692 11.095 -5.989 1.00 0.00 H new ATOM 0 HA ASN A 37 3.156 9.493 -3.746 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.726 11.473 -3.937 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.325 12.525 -3.895 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.811 12.287 -0.392 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.157 12.820 -1.944 1.00 0.00 H new ATOM 625 N GLN A 38 0.743 11.539 -4.654 1.00 0.00 N ATOM 626 CA GLN A 38 -0.676 11.830 -4.505 1.00 0.00 C ATOM 627 C GLN A 38 -1.536 10.618 -4.848 1.00 0.00 C ATOM 628 O GLN A 38 -2.515 10.328 -4.157 1.00 0.00 O ATOM 629 CB GLN A 38 -1.067 13.008 -5.395 1.00 0.00 C ATOM 630 CG GLN A 38 -1.329 14.292 -4.632 1.00 0.00 C ATOM 631 CD GLN A 38 -2.448 14.143 -3.620 1.00 0.00 C ATOM 632 OE1 GLN A 38 -3.622 14.315 -3.941 1.00 0.00 O ATOM 633 NE2 GLN A 38 -2.088 13.835 -2.384 1.00 0.00 N ATOM 0 H GLN A 38 1.198 12.053 -5.409 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.853 12.086 -3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.272 13.183 -6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.961 12.743 -5.960 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.418 14.600 -4.120 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.582 15.085 -5.336 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.102 13.700 -2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.796 13.732 -1.657 1.00 0.00 H new ATOM 642 N GLU A 39 -1.178 9.930 -5.923 1.00 0.00 N ATOM 643 CA GLU A 39 -1.921 8.757 -6.364 1.00 0.00 C ATOM 644 C GLU A 39 -1.724 7.581 -5.412 1.00 0.00 C ATOM 645 O GLU A 39 -2.617 6.744 -5.263 1.00 0.00 O ATOM 646 CB GLU A 39 -1.544 8.383 -7.796 1.00 0.00 C ATOM 647 CG GLU A 39 -2.559 8.863 -8.825 1.00 0.00 C ATOM 648 CD GLU A 39 -2.871 10.345 -8.715 1.00 0.00 C ATOM 649 OE1 GLU A 39 -3.644 10.736 -7.811 1.00 0.00 O ATOM 650 OE2 GLU A 39 -2.367 11.126 -9.550 1.00 0.00 O ATOM 0 H GLU A 39 -0.376 10.164 -6.507 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.981 9.009 -6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.568 8.808 -8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.446 7.300 -7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.180 8.652 -9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.482 8.295 -8.707 1.00 0.00 H new ATOM 657 N ILE A 40 -0.559 7.508 -4.779 1.00 0.00 N ATOM 658 CA ILE A 40 -0.335 6.521 -3.730 1.00 0.00 C ATOM 659 C ILE A 40 -1.383 6.691 -2.637 1.00 0.00 C ATOM 660 O ILE A 40 -2.045 5.732 -2.245 1.00 0.00 O ATOM 661 CB ILE A 40 1.077 6.642 -3.105 1.00 0.00 C ATOM 662 CG1 ILE A 40 2.151 6.277 -4.131 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.202 5.756 -1.869 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.564 6.481 -3.630 1.00 0.00 C ATOM 0 H ILE A 40 0.238 8.114 -4.971 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.415 5.534 -4.187 1.00 0.00 H new ATOM 0 HB ILE A 40 1.224 7.678 -2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.025 5.234 -4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.003 6.877 -5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.202 5.858 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.463 6.060 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.030 4.716 -2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.271 6.202 -4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.709 7.529 -3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.731 5.860 -2.750 1.00 0.00 H new ATOM 676 N VAL A 41 -1.549 7.932 -2.184 1.00 0.00 N ATOM 677 CA VAL A 41 -2.547 8.268 -1.171 1.00 0.00 C ATOM 678 C VAL A 41 -3.939 7.807 -1.602 1.00 0.00 C ATOM 679 O VAL A 41 -4.708 7.297 -0.787 1.00 0.00 O ATOM 680 CB VAL A 41 -2.567 9.788 -0.883 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.608 10.127 0.174 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.190 10.267 -0.443 1.00 0.00 C ATOM 0 H VAL A 41 -0.999 8.728 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.268 7.745 -0.256 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.837 10.303 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.602 11.201 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.595 9.824 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.374 9.599 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.224 11.338 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.894 9.739 0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.466 10.067 -1.232 1.00 0.00 H new ATOM 692 N LYS A 42 -4.251 7.977 -2.888 1.00 0.00 N ATOM 693 CA LYS A 42 -5.546 7.557 -3.418 1.00 0.00 C ATOM 694 C LYS A 42 -5.760 6.063 -3.181 1.00 0.00 C ATOM 695 O LYS A 42 -6.807 5.645 -2.690 1.00 0.00 O ATOM 696 CB LYS A 42 -5.645 7.822 -4.926 1.00 0.00 C ATOM 697 CG LYS A 42 -5.312 9.240 -5.366 1.00 0.00 C ATOM 698 CD LYS A 42 -6.194 10.282 -4.702 1.00 0.00 C ATOM 699 CE LYS A 42 -6.103 11.622 -5.420 1.00 0.00 C ATOM 700 NZ LYS A 42 -4.696 12.017 -5.701 1.00 0.00 N ATOM 0 H LYS A 42 -3.628 8.400 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.309 8.136 -2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.976 7.134 -5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.658 7.588 -5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.268 9.452 -5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.420 9.315 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.228 9.938 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.896 10.404 -3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.657 11.568 -6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.579 12.391 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.598 13.048 -5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.061 11.542 -5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.444 11.738 -6.671 1.00 0.00 H new ATOM 714 N ALA A 43 -4.746 5.273 -3.520 1.00 0.00 N ATOM 715 CA ALA A 43 -4.828 3.821 -3.423 1.00 0.00 C ATOM 716 C ALA A 43 -4.844 3.360 -1.969 1.00 0.00 C ATOM 717 O ALA A 43 -5.667 2.527 -1.585 1.00 0.00 O ATOM 718 CB ALA A 43 -3.672 3.175 -4.172 1.00 0.00 C ATOM 0 H ALA A 43 -3.851 5.618 -3.867 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.766 3.507 -3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.746 2.091 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.712 3.464 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.728 3.507 -3.740 1.00 0.00 H new ATOM 724 N GLU A 44 -3.939 3.917 -1.167 1.00 0.00 N ATOM 725 CA GLU A 44 -3.833 3.558 0.242 1.00 0.00 C ATOM 726 C GLU A 44 -5.152 3.832 0.968 1.00 0.00 C ATOM 727 O GLU A 44 -5.655 2.981 1.698 1.00 0.00 O ATOM 728 CB GLU A 44 -2.700 4.347 0.908 1.00 0.00 C ATOM 729 CG GLU A 44 -1.339 4.176 0.240 1.00 0.00 C ATOM 730 CD GLU A 44 -0.652 2.868 0.581 1.00 0.00 C ATOM 731 OE1 GLU A 44 0.098 2.809 1.570 1.00 0.00 O ATOM 732 OE2 GLU A 44 -0.823 1.874 -0.124 1.00 0.00 O ATOM 0 H GLU A 44 -3.267 4.621 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.611 2.493 0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.961 5.405 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.622 4.038 1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.464 4.239 -0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.693 5.003 0.535 1.00 0.00 H new ATOM 739 N LYS A 45 -5.728 5.011 0.731 1.00 0.00 N ATOM 740 CA LYS A 45 -6.993 5.388 1.363 1.00 0.00 C ATOM 741 C LYS A 45 -8.132 4.497 0.890 1.00 0.00 C ATOM 742 O LYS A 45 -9.015 4.141 1.673 1.00 0.00 O ATOM 743 CB LYS A 45 -7.333 6.855 1.082 1.00 0.00 C ATOM 744 CG LYS A 45 -6.605 7.837 1.980 1.00 0.00 C ATOM 745 CD LYS A 45 -7.013 7.643 3.428 1.00 0.00 C ATOM 746 CE LYS A 45 -6.276 8.597 4.349 1.00 0.00 C ATOM 747 NZ LYS A 45 -6.558 8.321 5.782 1.00 0.00 N ATOM 0 H LYS A 45 -5.340 5.720 0.108 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.870 5.255 2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.093 7.081 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.407 6.998 1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.528 7.701 1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.828 8.857 1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.087 7.798 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.809 6.615 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.204 8.518 4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.564 9.622 4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.819 8.755 6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.483 8.722 6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.570 7.293 5.942 1.00 0.00 H new ATOM 761 N GLN A 46 -8.104 4.138 -0.386 1.00 0.00 N ATOM 762 CA GLN A 46 -9.109 3.250 -0.957 1.00 0.00 C ATOM 763 C GLN A 46 -9.066 1.912 -0.225 1.00 0.00 C ATOM 764 O GLN A 46 -10.097 1.371 0.179 1.00 0.00 O ATOM 765 CB GLN A 46 -8.836 3.051 -2.454 1.00 0.00 C ATOM 766 CG GLN A 46 -10.069 2.791 -3.317 1.00 0.00 C ATOM 767 CD GLN A 46 -10.805 1.505 -2.978 1.00 0.00 C ATOM 768 OE1 GLN A 46 -10.468 0.431 -3.481 1.00 0.00 O ATOM 769 NE2 GLN A 46 -11.842 1.613 -2.162 1.00 0.00 N ATOM 0 H GLN A 46 -7.393 4.449 -1.048 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.100 3.690 -0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.328 3.937 -2.834 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.148 2.214 -2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.757 3.630 -3.210 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.766 2.758 -4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.088 2.521 -1.767 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.395 0.789 -1.929 1.00 0.00 H new ATOM 778 N GLY A 47 -7.852 1.408 -0.022 1.00 0.00 N ATOM 779 CA GLY A 47 -7.674 0.156 0.683 1.00 0.00 C ATOM 780 C GLY A 47 -8.082 0.246 2.140 1.00 0.00 C ATOM 781 O GLY A 47 -8.819 -0.605 2.628 1.00 0.00 O ATOM 0 H GLY A 47 -6.987 1.848 -0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.261 -0.620 0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.629 -0.147 0.620 1.00 0.00 H new ATOM 785 N VAL A 48 -7.632 1.291 2.828 1.00 0.00 N ATOM 786 CA VAL A 48 -7.952 1.482 4.242 1.00 0.00 C ATOM 787 C VAL A 48 -9.462 1.547 4.463 1.00 0.00 C ATOM 788 O VAL A 48 -9.989 0.949 5.404 1.00 0.00 O ATOM 789 CB VAL A 48 -7.300 2.768 4.803 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.749 3.022 6.232 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.786 2.673 4.744 1.00 0.00 C ATOM 0 H VAL A 48 -7.043 2.022 2.429 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.548 0.621 4.775 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.623 3.604 4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.278 3.931 6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.833 3.138 6.258 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.459 2.179 6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.348 3.588 5.143 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.451 1.822 5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.470 2.541 3.709 1.00 0.00 H new ATOM 801 N LYS A 49 -10.157 2.250 3.580 1.00 0.00 N ATOM 802 CA LYS A 49 -11.590 2.452 3.733 1.00 0.00 C ATOM 803 C LYS A 49 -12.342 1.125 3.652 1.00 0.00 C ATOM 804 O LYS A 49 -13.150 0.810 4.526 1.00 0.00 O ATOM 805 CB LYS A 49 -12.103 3.423 2.668 1.00 0.00 C ATOM 806 CG LYS A 49 -13.520 3.907 2.913 1.00 0.00 C ATOM 807 CD LYS A 49 -13.917 4.973 1.906 1.00 0.00 C ATOM 808 CE LYS A 49 -15.294 5.535 2.206 1.00 0.00 C ATOM 809 NZ LYS A 49 -15.697 6.575 1.226 1.00 0.00 N ATOM 0 H LYS A 49 -9.753 2.689 2.753 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.771 2.882 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.437 4.285 2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.059 2.936 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.211 3.066 2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.601 4.309 3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.183 5.779 1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.907 4.549 0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.025 4.727 2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.301 5.961 3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.643 6.932 1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.014 7.359 1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.716 6.163 0.271 1.00 0.00 H new ATOM 823 N VAL A 50 -12.061 0.339 2.617 1.00 0.00 N ATOM 824 CA VAL A 50 -12.721 -0.950 2.442 1.00 0.00 C ATOM 825 C VAL A 50 -12.250 -1.971 3.479 1.00 0.00 C ATOM 826 O VAL A 50 -13.035 -2.802 3.935 1.00 0.00 O ATOM 827 CB VAL A 50 -12.529 -1.515 1.015 1.00 0.00 C ATOM 828 CG1 VAL A 50 -13.242 -0.641 -0.003 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.054 -1.643 0.665 1.00 0.00 C ATOM 0 H VAL A 50 -11.384 0.571 1.890 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.786 -0.771 2.592 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.967 -2.513 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.097 -1.053 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.307 -0.611 0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.834 0.369 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.953 -2.043 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.582 -0.662 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.569 -2.316 1.372 1.00 0.00 H new ATOM 839 N TYR A 51 -10.977 -1.898 3.864 1.00 0.00 N ATOM 840 CA TYR A 51 -10.430 -2.820 4.855 1.00 0.00 C ATOM 841 C TYR A 51 -11.084 -2.609 6.213 1.00 0.00 C ATOM 842 O TYR A 51 -11.327 -3.566 6.942 1.00 0.00 O ATOM 843 CB TYR A 51 -8.910 -2.673 4.978 1.00 0.00 C ATOM 844 CG TYR A 51 -8.133 -3.305 3.843 1.00 0.00 C ATOM 845 CD1 TYR A 51 -8.745 -4.176 2.950 1.00 0.00 C ATOM 846 CD2 TYR A 51 -6.784 -3.022 3.660 1.00 0.00 C ATOM 847 CE1 TYR A 51 -8.034 -4.755 1.915 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.066 -3.597 2.629 1.00 0.00 C ATOM 849 CZ TYR A 51 -6.698 -4.457 1.755 1.00 0.00 C ATOM 850 OH TYR A 51 -5.983 -5.032 0.727 1.00 0.00 O ATOM 0 H TYR A 51 -10.310 -1.214 3.507 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.649 -3.831 4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.661 -1.613 5.028 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.588 -3.121 5.918 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.794 -4.405 3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.289 -2.341 4.336 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.523 -5.437 1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.016 -3.374 2.508 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.446 -4.874 -0.122 1.00 0.00 H new ATOM 860 N LYS A 52 -11.370 -1.354 6.551 1.00 0.00 N ATOM 861 CA LYS A 52 -12.023 -1.038 7.819 1.00 0.00 C ATOM 862 C LYS A 52 -13.357 -1.770 7.936 1.00 0.00 C ATOM 863 O LYS A 52 -13.678 -2.330 8.987 1.00 0.00 O ATOM 864 CB LYS A 52 -12.256 0.470 7.949 1.00 0.00 C ATOM 865 CG LYS A 52 -12.927 0.861 9.255 1.00 0.00 C ATOM 866 CD LYS A 52 -13.383 2.310 9.254 1.00 0.00 C ATOM 867 CE LYS A 52 -14.141 2.653 10.530 1.00 0.00 C ATOM 868 NZ LYS A 52 -15.308 1.756 10.745 1.00 0.00 N ATOM 0 H LYS A 52 -11.161 -0.543 5.968 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.364 -1.366 8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.300 0.987 7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.871 0.809 7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.785 0.212 9.429 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.233 0.701 10.080 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.518 2.966 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.021 2.492 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.466 2.580 11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.483 3.687 10.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.960 2.192 11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.801 1.606 9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.979 0.842 11.116 1.00 0.00 H new ATOM 882 N GLU A 53 -14.131 -1.756 6.859 1.00 0.00 N ATOM 883 CA GLU A 53 -15.405 -2.457 6.831 1.00 0.00 C ATOM 884 C GLU A 53 -15.177 -3.969 6.836 1.00 0.00 C ATOM 885 O GLU A 53 -15.865 -4.711 7.535 1.00 0.00 O ATOM 886 CB GLU A 53 -16.221 -2.056 5.601 1.00 0.00 C ATOM 887 CG GLU A 53 -17.685 -2.439 5.712 1.00 0.00 C ATOM 888 CD GLU A 53 -18.468 -2.168 4.446 1.00 0.00 C ATOM 889 OE1 GLU A 53 -18.517 -0.998 4.002 1.00 0.00 O ATOM 890 OE2 GLU A 53 -19.043 -3.127 3.892 1.00 0.00 O ATOM 0 H GLU A 53 -13.898 -1.267 5.995 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.966 -2.178 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -16.143 -0.979 5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.793 -2.529 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.759 -3.498 5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -18.137 -1.888 6.536 1.00 0.00 H new ATOM 897 N ALA A 54 -14.194 -4.408 6.052 1.00 0.00 N ATOM 898 CA ALA A 54 -13.861 -5.825 5.935 1.00 0.00 C ATOM 899 C ALA A 54 -13.414 -6.404 7.271 1.00 0.00 C ATOM 900 O ALA A 54 -13.653 -7.571 7.558 1.00 0.00 O ATOM 901 CB ALA A 54 -12.783 -6.029 4.881 1.00 0.00 C ATOM 0 H ALA A 54 -13.610 -3.795 5.483 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.762 -6.356 5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.545 -7.090 4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.143 -5.668 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.888 -5.476 5.164 1.00 0.00 H new ATOM 907 N ALA A 55 -12.767 -5.578 8.081 1.00 0.00 N ATOM 908 CA ALA A 55 -12.310 -5.990 9.402 1.00 0.00 C ATOM 909 C ALA A 55 -13.477 -6.407 10.290 1.00 0.00 C ATOM 910 O ALA A 55 -13.342 -7.296 11.131 1.00 0.00 O ATOM 911 CB ALA A 55 -11.519 -4.871 10.057 1.00 0.00 C ATOM 0 H ALA A 55 -12.545 -4.611 7.844 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.661 -6.857 9.277 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.183 -5.192 11.043 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.654 -4.628 9.440 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.152 -3.989 10.158 1.00 0.00 H new ATOM 917 N GLU A 56 -14.622 -5.766 10.100 1.00 0.00 N ATOM 918 CA GLU A 56 -15.803 -6.068 10.897 1.00 0.00 C ATOM 919 C GLU A 56 -16.646 -7.151 10.223 1.00 0.00 C ATOM 920 O GLU A 56 -17.567 -7.704 10.825 1.00 0.00 O ATOM 921 CB GLU A 56 -16.635 -4.803 11.116 1.00 0.00 C ATOM 922 CG GLU A 56 -15.859 -3.665 11.765 1.00 0.00 C ATOM 923 CD GLU A 56 -15.149 -4.091 13.038 1.00 0.00 C ATOM 924 OE1 GLU A 56 -15.830 -4.353 14.049 1.00 0.00 O ATOM 925 OE2 GLU A 56 -13.900 -4.161 13.033 1.00 0.00 O ATOM 0 H GLU A 56 -14.758 -5.035 9.402 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.477 -6.442 11.867 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.025 -4.464 10.156 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.494 -5.047 11.740 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.126 -3.280 11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.543 -2.847 11.992 1.00 0.00 H new ATOM 932 N LYS A 57 -16.325 -7.443 8.971 1.00 0.00 N ATOM 933 CA LYS A 57 -16.994 -8.499 8.226 1.00 0.00 C ATOM 934 C LYS A 57 -16.050 -9.676 8.011 1.00 0.00 C ATOM 935 O LYS A 57 -16.263 -10.499 7.121 1.00 0.00 O ATOM 936 CB LYS A 57 -17.466 -7.975 6.869 1.00 0.00 C ATOM 937 CG LYS A 57 -18.719 -7.115 6.920 1.00 0.00 C ATOM 938 CD LYS A 57 -19.271 -6.879 5.521 1.00 0.00 C ATOM 939 CE LYS A 57 -20.555 -6.069 5.541 1.00 0.00 C ATOM 940 NZ LYS A 57 -20.318 -4.649 5.900 1.00 0.00 N ATOM 0 H LYS A 57 -15.598 -6.958 8.446 1.00 0.00 H new ATOM 0 HA LYS A 57 -17.857 -8.830 8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.661 -7.394 6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.651 -8.824 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -19.475 -7.602 7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -18.490 -6.159 7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -18.525 -6.359 4.921 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -19.456 -7.839 5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -21.029 -6.120 4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -21.250 -6.511 6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -21.226 -4.189 6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.698 -4.600 6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -19.864 -4.160 5.102 1.00 0.00 H new ATOM 954 N ALA A 58 -15.022 -9.761 8.847 1.00 0.00 N ATOM 955 CA ALA A 58 -13.973 -10.759 8.680 1.00 0.00 C ATOM 956 C ALA A 58 -14.501 -12.172 8.882 1.00 0.00 C ATOM 957 O ALA A 58 -13.945 -13.123 8.326 1.00 0.00 O ATOM 958 CB ALA A 58 -12.829 -10.480 9.634 1.00 0.00 C ATOM 0 H ALA A 58 -14.893 -9.147 9.651 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.609 -10.689 7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.052 -11.232 9.500 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.417 -9.492 9.429 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.194 -10.515 10.660 1.00 0.00 H new ATOM 964 N ARG A 59 -15.535 -12.303 9.715 1.00 0.00 N ATOM 965 CA ARG A 59 -16.260 -13.565 9.905 1.00 0.00 C ATOM 966 C ARG A 59 -15.483 -14.524 10.818 1.00 0.00 C ATOM 967 O ARG A 59 -16.069 -15.399 11.455 1.00 0.00 O ATOM 968 CB ARG A 59 -16.572 -14.215 8.538 1.00 0.00 C ATOM 969 CG ARG A 59 -17.776 -15.151 8.532 1.00 0.00 C ATOM 970 CD ARG A 59 -17.436 -16.538 9.047 1.00 0.00 C ATOM 971 NE ARG A 59 -18.589 -17.434 8.974 1.00 0.00 N ATOM 972 CZ ARG A 59 -18.576 -18.710 9.349 1.00 0.00 C ATOM 973 NH1 ARG A 59 -17.465 -19.269 9.819 1.00 0.00 N ATOM 974 NH2 ARG A 59 -19.688 -19.426 9.249 1.00 0.00 N ATOM 0 H ARG A 59 -15.896 -11.535 10.280 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.205 -13.345 10.401 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.741 -13.425 7.806 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.695 -14.772 8.209 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.568 -14.723 9.146 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.166 -15.229 7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.614 -16.953 8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.092 -16.470 10.079 1.00 0.00 H new ATOM 0 HE ARG A 59 -19.463 -17.055 8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.610 -18.718 9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.468 -20.249 10.103 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -20.540 -18.997 8.888 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.691 -20.406 9.533 1.00 0.00 H new ATOM 988 N ASN A 60 -14.172 -14.349 10.896 1.00 0.00 N ATOM 989 CA ASN A 60 -13.332 -15.200 11.734 1.00 0.00 C ATOM 990 C ASN A 60 -12.191 -14.394 12.349 1.00 0.00 C ATOM 991 O ASN A 60 -11.547 -13.599 11.663 1.00 0.00 O ATOM 992 CB ASN A 60 -12.785 -16.379 10.918 1.00 0.00 C ATOM 993 CG ASN A 60 -11.746 -17.181 11.676 1.00 0.00 C ATOM 994 OD1 ASN A 60 -10.546 -16.928 11.562 1.00 0.00 O ATOM 995 ND2 ASN A 60 -12.199 -18.139 12.464 1.00 0.00 N ATOM 0 H ASN A 60 -13.664 -13.624 10.389 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.943 -15.596 12.546 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -13.609 -17.034 10.636 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.345 -16.004 9.994 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.546 -18.703 13.008 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.202 -18.315 12.529 1.00 0.00 H new ATOM 1002 N PRO A 61 -11.930 -14.591 13.655 1.00 0.00 N ATOM 1003 CA PRO A 61 -10.917 -13.832 14.408 1.00 0.00 C ATOM 1004 C PRO A 61 -9.506 -13.900 13.813 1.00 0.00 C ATOM 1005 O PRO A 61 -8.786 -12.899 13.814 1.00 0.00 O ATOM 1006 CB PRO A 61 -10.930 -14.480 15.800 1.00 0.00 C ATOM 1007 CG PRO A 61 -11.634 -15.783 15.622 1.00 0.00 C ATOM 1008 CD PRO A 61 -12.622 -15.561 14.518 1.00 0.00 C ATOM 0 HA PRO A 61 -11.160 -12.769 14.400 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.917 -14.628 16.174 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.447 -13.849 16.523 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.932 -16.576 15.365 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.135 -16.086 16.541 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.850 -16.485 13.987 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.567 -15.167 14.893 1.00 0.00 H new ATOM 1016 N GLU A 62 -9.111 -15.061 13.299 1.00 0.00 N ATOM 1017 CA GLU A 62 -7.748 -15.241 12.803 1.00 0.00 C ATOM 1018 C GLU A 62 -7.521 -14.430 11.528 1.00 0.00 C ATOM 1019 O GLU A 62 -6.502 -13.756 11.383 1.00 0.00 O ATOM 1020 CB GLU A 62 -7.463 -16.722 12.533 1.00 0.00 C ATOM 1021 CG GLU A 62 -7.629 -17.618 13.753 1.00 0.00 C ATOM 1022 CD GLU A 62 -6.728 -17.225 14.906 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -5.496 -17.364 14.781 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -7.253 -16.777 15.948 1.00 0.00 O ATOM 0 H GLU A 62 -9.707 -15.884 13.215 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.063 -14.883 13.572 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.130 -17.072 11.745 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.445 -16.823 12.157 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.667 -17.584 14.083 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.418 -18.649 13.470 1.00 0.00 H new ATOM 1031 N LYS A 63 -8.484 -14.479 10.616 1.00 0.00 N ATOM 1032 CA LYS A 63 -8.395 -13.709 9.381 1.00 0.00 C ATOM 1033 C LYS A 63 -8.693 -12.236 9.651 1.00 0.00 C ATOM 1034 O LYS A 63 -8.231 -11.354 8.927 1.00 0.00 O ATOM 1035 CB LYS A 63 -9.309 -14.292 8.290 1.00 0.00 C ATOM 1036 CG LYS A 63 -10.773 -14.417 8.677 1.00 0.00 C ATOM 1037 CD LYS A 63 -11.487 -15.453 7.815 1.00 0.00 C ATOM 1038 CE LYS A 63 -11.519 -15.056 6.346 1.00 0.00 C ATOM 1039 NZ LYS A 63 -12.608 -14.086 6.048 1.00 0.00 N ATOM 0 H LYS A 63 -9.331 -15.040 10.707 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.375 -13.778 9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.236 -13.664 7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.936 -15.278 8.014 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.851 -14.698 9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.264 -13.450 8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.987 -16.416 7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.507 -15.583 8.177 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.560 -14.619 6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.652 -15.948 5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.058 -14.336 5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.317 -14.116 6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.211 -13.127 5.983 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.471 -11.977 10.699 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.735 -10.612 11.146 1.00 0.00 C ATOM 1055 C ARG A 64 -8.419 -9.923 11.488 1.00 0.00 C ATOM 1056 O ARG A 64 -8.188 -8.775 11.112 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.654 -10.634 12.378 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.428 -9.344 12.631 1.00 0.00 C ATOM 1059 CD ARG A 64 -10.556 -8.231 13.193 1.00 0.00 C ATOM 1060 NE ARG A 64 -11.321 -7.000 13.397 1.00 0.00 N ATOM 1061 CZ ARG A 64 -11.026 -6.072 14.310 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -9.966 -6.211 15.097 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -11.785 -4.992 14.429 1.00 0.00 N ATOM 0 H ARG A 64 -9.931 -12.697 11.256 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.230 -10.060 10.347 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.367 -11.451 12.266 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.051 -10.856 13.258 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.880 -9.008 11.698 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.243 -9.546 13.326 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.121 -8.551 14.140 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.728 -8.037 12.511 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.134 -6.841 12.802 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.368 -7.033 15.007 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.749 -5.496 15.792 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.596 -4.869 13.822 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.558 -4.284 15.127 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.560 -10.654 12.194 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.257 -10.161 12.598 1.00 0.00 C ATOM 1079 C GLN A 65 -5.440 -9.720 11.383 1.00 0.00 C ATOM 1080 O GLN A 65 -4.802 -8.670 11.409 1.00 0.00 O ATOM 1081 CB GLN A 65 -5.543 -11.270 13.374 1.00 0.00 C ATOM 1082 CG GLN A 65 -4.296 -10.832 14.116 1.00 0.00 C ATOM 1083 CD GLN A 65 -3.069 -10.743 13.228 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -2.943 -11.471 12.245 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -2.152 -9.854 13.571 1.00 0.00 N ATOM 0 H GLN A 65 -7.754 -11.607 12.500 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.373 -9.285 13.237 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.243 -11.699 14.091 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.273 -12.064 12.678 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.477 -9.859 14.573 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.099 -11.533 14.927 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.293 -9.268 14.394 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.304 -9.754 13.013 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.493 -10.516 10.319 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.767 -10.217 9.087 1.00 0.00 C ATOM 1096 C VAL A 66 -5.197 -8.867 8.511 1.00 0.00 C ATOM 1097 O VAL A 66 -4.362 -8.013 8.203 1.00 0.00 O ATOM 1098 CB VAL A 66 -4.994 -11.322 8.029 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -4.284 -10.984 6.726 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.532 -12.673 8.558 1.00 0.00 C ATOM 0 H VAL A 66 -6.035 -11.379 10.285 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.707 -10.175 9.336 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.063 -11.380 7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.460 -11.777 5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.669 -10.042 6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.214 -10.890 6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.700 -13.438 7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.470 -12.626 8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.095 -12.924 9.457 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.503 -8.676 8.388 1.00 0.00 N ATOM 1111 CA ILE A 67 -7.051 -7.440 7.842 1.00 0.00 C ATOM 1112 C ILE A 67 -6.743 -6.259 8.759 1.00 0.00 C ATOM 1113 O ILE A 67 -6.301 -5.205 8.306 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.581 -7.543 7.639 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.928 -8.734 6.737 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -9.134 -6.252 7.054 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -8.315 -8.659 5.353 1.00 0.00 C ATOM 0 H ILE A 67 -7.206 -9.363 8.660 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.579 -7.279 6.873 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.043 -7.703 8.613 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.595 -9.652 7.221 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.012 -8.799 6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.212 -6.346 6.919 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.924 -5.426 7.733 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.663 -6.058 6.090 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.608 -9.537 4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.667 -7.760 4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.229 -8.626 5.437 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.959 -6.462 10.050 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.747 -5.419 11.052 1.00 0.00 C ATOM 1131 C ASP A 68 -5.280 -4.996 11.115 1.00 0.00 C ATOM 1132 O ASP A 68 -4.968 -3.817 11.293 1.00 0.00 O ATOM 1133 CB ASP A 68 -7.221 -5.920 12.419 1.00 0.00 C ATOM 1134 CG ASP A 68 -7.005 -4.914 13.531 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -7.655 -3.851 13.521 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -6.185 -5.190 14.432 1.00 0.00 O ATOM 0 H ASP A 68 -7.285 -7.349 10.435 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.327 -4.542 10.767 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.281 -6.166 12.361 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.693 -6.842 12.664 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.382 -5.962 10.970 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.947 -5.692 10.975 1.00 0.00 C ATOM 1143 C LYS A 69 -2.559 -4.749 9.834 1.00 0.00 C ATOM 1144 O LYS A 69 -1.821 -3.780 10.031 1.00 0.00 O ATOM 1145 CB LYS A 69 -2.179 -7.013 10.852 1.00 0.00 C ATOM 1146 CG LYS A 69 -0.686 -6.841 10.639 1.00 0.00 C ATOM 1147 CD LYS A 69 0.005 -8.181 10.466 1.00 0.00 C ATOM 1148 CE LYS A 69 1.467 -8.008 10.093 1.00 0.00 C ATOM 1149 NZ LYS A 69 2.174 -9.312 9.988 1.00 0.00 N ATOM 0 H LYS A 69 -4.622 -6.946 10.847 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.688 -5.204 11.915 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.341 -7.601 11.755 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.591 -7.585 10.020 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.511 -6.223 9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.254 -6.314 11.489 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.071 -8.753 11.391 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.503 -8.757 9.693 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.538 -7.480 9.142 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.961 -7.387 10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.087 -9.174 9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.337 -9.696 10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.593 -9.979 9.441 1.00 0.00 H new ATOM 1163 N ILE A 70 -3.069 -5.035 8.645 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.808 -4.205 7.481 1.00 0.00 C ATOM 1165 C ILE A 70 -3.556 -2.879 7.573 1.00 0.00 C ATOM 1166 O ILE A 70 -3.028 -1.844 7.186 1.00 0.00 O ATOM 1167 CB ILE A 70 -3.134 -4.948 6.168 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -2.136 -6.100 6.001 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -3.090 -4.003 4.973 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -2.178 -6.773 4.649 1.00 0.00 C ATOM 0 H ILE A 70 -3.669 -5.840 8.462 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.741 -3.983 7.468 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.148 -5.346 6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.129 -5.720 6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.330 -6.847 6.771 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.324 -4.556 4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.821 -3.207 5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.093 -3.570 4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.440 -7.575 4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.172 -7.187 4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.952 -6.043 3.872 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.772 -2.914 8.108 1.00 0.00 N ATOM 1183 CA LEU A 71 -5.550 -1.696 8.336 1.00 0.00 C ATOM 1184 C LEU A 71 -4.731 -0.713 9.178 1.00 0.00 C ATOM 1185 O LEU A 71 -4.704 0.489 8.905 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.873 -2.061 9.038 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.946 -0.961 9.116 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.637 0.047 10.213 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -8.091 -0.263 7.775 1.00 0.00 C ATOM 0 H LEU A 71 -5.243 -3.773 8.393 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.783 -1.217 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.304 -2.920 8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.641 -2.381 10.054 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.893 -1.440 9.366 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.417 0.808 10.238 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.598 -0.463 11.175 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.675 0.519 10.013 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.854 0.512 7.849 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.140 0.190 7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.383 -0.989 7.017 1.00 0.00 H new ATOM 1201 N GLU A 72 -4.054 -1.246 10.186 1.00 0.00 N ATOM 1202 CA GLU A 72 -3.156 -0.459 11.026 1.00 0.00 C ATOM 1203 C GLU A 72 -1.971 0.069 10.215 1.00 0.00 C ATOM 1204 O GLU A 72 -1.634 1.254 10.273 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.652 -1.333 12.182 1.00 0.00 C ATOM 1206 CG GLU A 72 -1.521 -0.723 12.993 1.00 0.00 C ATOM 1207 CD GLU A 72 -1.960 0.442 13.853 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -2.394 0.206 14.997 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -1.850 1.596 13.398 1.00 0.00 O ATOM 0 H GLU A 72 -4.110 -2.231 10.445 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.703 0.397 11.421 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.487 -1.545 12.850 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.317 -2.288 11.778 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.085 -1.492 13.631 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.736 -0.389 12.314 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.360 -0.817 9.439 1.00 0.00 N ATOM 1217 CA ASP A 73 -0.133 -0.491 8.722 1.00 0.00 C ATOM 1218 C ASP A 73 -0.386 0.472 7.573 1.00 0.00 C ATOM 1219 O ASP A 73 0.416 1.358 7.308 1.00 0.00 O ATOM 1220 CB ASP A 73 0.499 -1.745 8.144 1.00 0.00 C ATOM 1221 CG ASP A 73 1.995 -1.786 8.345 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.445 -1.985 9.487 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.727 -1.621 7.340 1.00 0.00 O ATOM 0 H ASP A 73 -1.695 -1.769 9.290 1.00 0.00 H new ATOM 0 HA ASP A 73 0.533 -0.023 9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.049 -2.622 8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.277 -1.801 7.078 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.494 0.276 6.882 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.788 1.032 5.676 1.00 0.00 C ATOM 1230 C GLU A 74 -2.024 2.512 6.010 1.00 0.00 C ATOM 1231 O GLU A 74 -1.645 3.389 5.236 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.989 0.400 4.961 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.897 0.412 3.437 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.603 -0.183 2.900 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -1.401 -1.425 2.966 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.768 0.585 2.399 1.00 0.00 O ATOM 0 H GLU A 74 -2.210 -0.405 7.137 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.934 0.995 5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.095 -0.631 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.894 0.928 5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.740 -0.143 3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.989 1.439 3.084 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.619 2.789 7.178 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.738 4.170 7.662 1.00 0.00 C ATOM 1245 C GLU A 75 -1.360 4.726 8.016 1.00 0.00 C ATOM 1246 O GLU A 75 -1.078 5.912 7.827 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.676 4.285 8.885 1.00 0.00 C ATOM 1248 CG GLU A 75 -5.060 4.874 8.578 1.00 0.00 C ATOM 1249 CD GLU A 75 -5.012 5.913 7.472 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -3.977 6.578 7.333 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.905 5.893 6.604 1.00 0.00 O ATOM 0 H GLU A 75 -3.020 2.085 7.798 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.177 4.755 6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.806 3.294 9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.192 4.904 9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.738 4.071 8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.468 5.327 9.482 1.00 0.00 H new ATOM 1258 N LYS A 76 -0.502 3.852 8.523 1.00 0.00 N ATOM 1259 CA LYS A 76 0.867 4.209 8.884 1.00 0.00 C ATOM 1260 C LYS A 76 1.642 4.692 7.655 1.00 0.00 C ATOM 1261 O LYS A 76 2.491 5.581 7.748 1.00 0.00 O ATOM 1262 CB LYS A 76 1.547 2.990 9.518 1.00 0.00 C ATOM 1263 CG LYS A 76 2.986 3.199 9.955 1.00 0.00 C ATOM 1264 CD LYS A 76 3.536 1.927 10.584 1.00 0.00 C ATOM 1265 CE LYS A 76 4.974 2.081 11.047 1.00 0.00 C ATOM 1266 NZ LYS A 76 5.460 0.841 11.712 1.00 0.00 N ATOM 0 H LYS A 76 -0.734 2.874 8.697 1.00 0.00 H new ATOM 0 HA LYS A 76 0.853 5.028 9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.964 2.680 10.385 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.518 2.167 8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.596 3.482 9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.041 4.020 10.670 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.913 1.647 11.433 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.476 1.113 9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.611 2.313 10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.049 2.921 11.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.445 0.974 12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.865 0.635 12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.410 0.046 11.043 1.00 0.00 H new ATOM 1280 N HIS A 77 1.329 4.110 6.498 1.00 0.00 N ATOM 1281 CA HIS A 77 1.987 4.481 5.247 1.00 0.00 C ATOM 1282 C HIS A 77 1.583 5.888 4.822 1.00 0.00 C ATOM 1283 O HIS A 77 2.426 6.717 4.468 1.00 0.00 O ATOM 1284 CB HIS A 77 1.611 3.528 4.113 1.00 0.00 C ATOM 1285 CG HIS A 77 1.965 2.098 4.342 1.00 0.00 C ATOM 1286 ND1 HIS A 77 1.547 1.079 3.517 1.00 0.00 N ATOM 1287 CD2 HIS A 77 2.689 1.514 5.330 1.00 0.00 C ATOM 1288 CE1 HIS A 77 2.009 -0.068 4.021 1.00 0.00 C ATOM 1289 NE2 HIS A 77 2.711 0.132 5.126 1.00 0.00 N ATOM 0 H HIS A 77 0.624 3.380 6.402 1.00 0.00 H new ATOM 0 HA HIS A 77 3.060 4.430 5.431 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.537 3.597 3.943 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.100 3.865 3.199 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.171 2.034 6.144 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.832 -1.039 3.582 1.00 0.00 H new ATOM 1296 N ILE A 78 0.278 6.136 4.852 1.00 0.00 N ATOM 1297 CA ILE A 78 -0.288 7.389 4.373 1.00 0.00 C ATOM 1298 C ILE A 78 0.275 8.572 5.143 1.00 0.00 C ATOM 1299 O ILE A 78 0.724 9.551 4.546 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.823 7.390 4.489 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -2.395 6.159 3.788 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -2.394 8.664 3.886 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.885 5.990 3.965 1.00 0.00 C ATOM 0 H ILE A 78 -0.414 5.476 5.208 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.014 7.483 3.322 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.103 7.355 5.542 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.171 6.223 2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.891 5.270 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.480 8.653 3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.996 9.528 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.116 8.725 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.215 5.094 3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.117 5.893 5.026 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.401 6.860 3.559 1.00 0.00 H new ATOM 1315 N GLU A 79 0.266 8.472 6.467 1.00 0.00 N ATOM 1316 CA GLU A 79 0.803 9.532 7.311 1.00 0.00 C ATOM 1317 C GLU A 79 2.270 9.797 6.988 1.00 0.00 C ATOM 1318 O GLU A 79 2.740 10.932 7.080 1.00 0.00 O ATOM 1319 CB GLU A 79 0.646 9.189 8.792 1.00 0.00 C ATOM 1320 CG GLU A 79 -0.796 9.189 9.271 1.00 0.00 C ATOM 1321 CD GLU A 79 -1.505 10.502 9.002 1.00 0.00 C ATOM 1322 OE1 GLU A 79 -1.003 11.563 9.420 1.00 0.00 O ATOM 1323 OE2 GLU A 79 -2.581 10.484 8.374 1.00 0.00 O ATOM 0 H GLU A 79 -0.106 7.671 6.978 1.00 0.00 H new ATOM 0 HA GLU A 79 0.232 10.437 7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.080 8.206 8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.216 9.905 9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.338 8.381 8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.819 8.982 10.341 1.00 0.00 H new ATOM 1330 N TRP A 80 2.992 8.754 6.598 1.00 0.00 N ATOM 1331 CA TRP A 80 4.396 8.892 6.246 1.00 0.00 C ATOM 1332 C TRP A 80 4.547 9.691 4.951 1.00 0.00 C ATOM 1333 O TRP A 80 5.320 10.647 4.893 1.00 0.00 O ATOM 1334 CB TRP A 80 5.060 7.518 6.118 1.00 0.00 C ATOM 1335 CG TRP A 80 6.546 7.583 5.932 1.00 0.00 C ATOM 1336 CD1 TRP A 80 7.286 6.865 5.041 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.471 8.413 6.648 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.613 7.192 5.158 1.00 0.00 N ATOM 1339 CE2 TRP A 80 8.753 8.142 6.137 1.00 0.00 C ATOM 1340 CE3 TRP A 80 7.339 9.362 7.671 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 9.895 8.780 6.614 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 8.474 9.994 8.142 1.00 0.00 C ATOM 1343 CH2 TRP A 80 9.736 9.703 7.613 1.00 0.00 C ATOM 0 H TRP A 80 2.627 7.805 6.518 1.00 0.00 H new ATOM 0 HA TRP A 80 4.899 9.437 7.045 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.840 6.933 7.011 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.620 6.989 5.273 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.886 6.143 4.344 1.00 0.00 H new ATOM 0 HE1 TRP A 80 9.373 6.793 4.606 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.368 9.595 8.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.871 8.555 6.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.385 10.725 8.932 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.603 10.217 8.001 1.00 0.00 H new ATOM 1354 N HIS A 81 3.796 9.310 3.919 1.00 0.00 N ATOM 1355 CA HIS A 81 3.813 10.044 2.655 1.00 0.00 C ATOM 1356 C HIS A 81 3.334 11.481 2.829 1.00 0.00 C ATOM 1357 O HIS A 81 3.793 12.387 2.129 1.00 0.00 O ATOM 1358 CB HIS A 81 2.969 9.332 1.596 1.00 0.00 C ATOM 1359 CG HIS A 81 3.716 8.242 0.897 1.00 0.00 C ATOM 1360 ND1 HIS A 81 4.559 8.459 -0.169 1.00 0.00 N ATOM 1361 CD2 HIS A 81 3.759 6.908 1.142 1.00 0.00 C ATOM 1362 CE1 HIS A 81 5.083 7.285 -0.529 1.00 0.00 C ATOM 1363 NE2 HIS A 81 4.630 6.311 0.234 1.00 0.00 N ATOM 0 H HIS A 81 3.172 8.503 3.932 1.00 0.00 H new ATOM 0 HA HIS A 81 4.849 10.074 2.317 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.080 8.913 2.068 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.626 10.060 0.861 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.750 9.360 -0.608 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.208 6.393 1.915 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.785 7.151 -1.339 1.00 0.00 H new ATOM 1371 N LYS A 82 2.413 11.691 3.760 1.00 0.00 N ATOM 1372 CA LYS A 82 1.951 13.035 4.084 1.00 0.00 C ATOM 1373 C LYS A 82 3.097 13.884 4.615 1.00 0.00 C ATOM 1374 O LYS A 82 3.302 15.013 4.174 1.00 0.00 O ATOM 1375 CB LYS A 82 0.834 12.984 5.122 1.00 0.00 C ATOM 1376 CG LYS A 82 -0.492 12.473 4.583 1.00 0.00 C ATOM 1377 CD LYS A 82 -1.487 12.248 5.708 1.00 0.00 C ATOM 1378 CE LYS A 82 -1.701 13.509 6.532 1.00 0.00 C ATOM 1379 NZ LYS A 82 -2.540 13.248 7.729 1.00 0.00 N ATOM 0 H LYS A 82 1.971 10.950 4.304 1.00 0.00 H new ATOM 0 HA LYS A 82 1.568 13.486 3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.149 12.345 5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.687 13.984 5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.900 13.190 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.333 11.541 4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.439 11.920 5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.129 11.447 6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.736 13.908 6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.176 14.271 5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.381 13.859 7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.837 12.251 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.991 13.451 8.589 1.00 0.00 H new ATOM 1393 N ALA A 83 3.853 13.323 5.548 1.00 0.00 N ATOM 1394 CA ALA A 83 4.971 14.030 6.155 1.00 0.00 C ATOM 1395 C ALA A 83 6.107 14.231 5.158 1.00 0.00 C ATOM 1396 O ALA A 83 6.832 15.225 5.220 1.00 0.00 O ATOM 1397 CB ALA A 83 5.468 13.267 7.373 1.00 0.00 C ATOM 0 H ALA A 83 3.711 12.377 5.902 1.00 0.00 H new ATOM 0 HA ALA A 83 4.622 15.015 6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.305 13.803 7.821 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.662 13.179 8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.794 12.272 7.071 1.00 0.00 H new ATOM 1403 N ALA A 84 6.234 13.298 4.224 1.00 0.00 N ATOM 1404 CA ALA A 84 7.339 13.293 3.275 1.00 0.00 C ATOM 1405 C ALA A 84 7.180 14.346 2.176 1.00 0.00 C ATOM 1406 O ALA A 84 8.125 14.607 1.431 1.00 0.00 O ATOM 1407 CB ALA A 84 7.484 11.911 2.656 1.00 0.00 C ATOM 0 H ALA A 84 5.577 12.527 4.103 1.00 0.00 H new ATOM 0 HA ALA A 84 8.241 13.548 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.312 11.915 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.681 11.180 3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.563 11.647 2.136 1.00 0.00 H new ATOM 1413 N SER A 85 5.998 14.951 2.072 1.00 0.00 N ATOM 1414 CA SER A 85 5.733 15.918 1.007 1.00 0.00 C ATOM 1415 C SER A 85 6.365 17.282 1.316 1.00 0.00 C ATOM 1416 O SER A 85 5.670 18.281 1.509 1.00 0.00 O ATOM 1417 CB SER A 85 4.222 16.060 0.774 1.00 0.00 C ATOM 1418 OG SER A 85 3.545 16.482 1.950 1.00 0.00 O ATOM 0 H SER A 85 5.215 14.791 2.706 1.00 0.00 H new ATOM 0 HA SER A 85 6.193 15.542 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.043 16.778 -0.026 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.814 15.105 0.442 1.00 0.00 H new ATOM 0 HG SER A 85 3.408 15.713 2.542 1.00 0.00 H new ATOM 1424 N LYS A 86 7.689 17.312 1.375 1.00 0.00 N ATOM 1425 CA LYS A 86 8.421 18.542 1.637 1.00 0.00 C ATOM 1426 C LYS A 86 9.647 18.628 0.740 1.00 0.00 C ATOM 1427 O LYS A 86 10.165 17.607 0.284 1.00 0.00 O ATOM 1428 CB LYS A 86 8.832 18.632 3.112 1.00 0.00 C ATOM 1429 CG LYS A 86 7.660 18.905 4.044 1.00 0.00 C ATOM 1430 CD LYS A 86 7.018 20.254 3.741 1.00 0.00 C ATOM 1431 CE LYS A 86 5.668 20.409 4.423 1.00 0.00 C ATOM 1432 NZ LYS A 86 4.679 19.403 3.947 1.00 0.00 N ATOM 0 H LYS A 86 8.281 16.492 1.244 1.00 0.00 H new ATOM 0 HA LYS A 86 7.764 19.383 1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.313 17.699 3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.573 19.423 3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.917 18.114 3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.003 18.886 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.683 21.053 4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.894 20.363 2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.794 20.310 5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.282 21.411 4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.764 19.868 3.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.018 18.975 3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.563 18.662 4.668 1.00 0.00 H new ATOM 1446 N GLN A 87 10.098 19.849 0.483 1.00 0.00 N ATOM 1447 CA GLN A 87 11.224 20.087 -0.411 1.00 0.00 C ATOM 1448 C GLN A 87 12.517 19.534 0.173 1.00 0.00 C ATOM 1449 O GLN A 87 12.733 19.571 1.387 1.00 0.00 O ATOM 1450 CB GLN A 87 11.366 21.583 -0.687 1.00 0.00 C ATOM 1451 CG GLN A 87 10.173 22.172 -1.421 1.00 0.00 C ATOM 1452 CD GLN A 87 10.255 23.678 -1.556 1.00 0.00 C ATOM 1453 OE1 GLN A 87 11.342 24.251 -1.619 1.00 0.00 O ATOM 1454 NE2 GLN A 87 9.105 24.328 -1.610 1.00 0.00 N ATOM 0 H GLN A 87 9.697 20.697 0.885 1.00 0.00 H new ATOM 0 HA GLN A 87 11.029 19.567 -1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.499 22.109 0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 87 12.267 21.753 -1.276 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.105 21.726 -2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.258 21.908 -0.890 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.226 23.814 -1.554 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.097 25.343 -1.707 1.00 0.00 H new ATOM 1463 N GLY A 88 13.367 19.014 -0.701 1.00 0.00 N ATOM 1464 CA GLY A 88 14.611 18.411 -0.269 1.00 0.00 C ATOM 1465 C GLY A 88 14.539 16.899 -0.306 1.00 0.00 C ATOM 1466 O GLY A 88 15.556 16.213 -0.195 1.00 0.00 O ATOM 0 H GLY A 88 13.215 18.999 -1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.424 18.753 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 88 14.843 18.740 0.744 1.00 0.00 H new ATOM 1470 N ASN A 89 13.331 16.377 -0.466 1.00 0.00 N ATOM 1471 CA ASN A 89 13.116 14.938 -0.475 1.00 0.00 C ATOM 1472 C ASN A 89 13.356 14.368 -1.872 1.00 0.00 C ATOM 1473 O ASN A 89 12.432 14.258 -2.674 1.00 0.00 O ATOM 1474 CB ASN A 89 11.693 14.606 -0.021 1.00 0.00 C ATOM 1475 CG ASN A 89 11.577 13.207 0.552 1.00 0.00 C ATOM 1476 OD1 ASN A 89 12.417 12.349 0.301 1.00 0.00 O ATOM 1477 ND2 ASN A 89 10.517 12.964 1.305 1.00 0.00 N ATOM 0 H ASN A 89 12.483 16.931 -0.592 1.00 0.00 H new ATOM 0 HA ASN A 89 13.825 14.486 0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.377 15.330 0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.013 14.706 -0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.375 12.035 1.701 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.842 13.706 1.490 1.00 0.00 H new ATOM 1484 N ALA A 90 14.610 14.051 -2.166 1.00 0.00 N ATOM 1485 CA ALA A 90 14.967 13.448 -3.445 1.00 0.00 C ATOM 1486 C ALA A 90 15.735 12.150 -3.223 1.00 0.00 C ATOM 1487 O ALA A 90 15.204 11.059 -3.435 1.00 0.00 O ATOM 1488 CB ALA A 90 15.782 14.423 -4.284 1.00 0.00 C ATOM 0 H ALA A 90 15.398 14.201 -1.536 1.00 0.00 H new ATOM 0 HA ALA A 90 14.051 13.215 -3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 90 16.040 13.957 -5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 90 15.195 15.323 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.695 14.688 -3.750 1.00 0.00 H new ATOM 1494 N GLU A 91 16.979 12.276 -2.768 1.00 0.00 N ATOM 1495 CA GLU A 91 17.803 11.118 -2.436 1.00 0.00 C ATOM 1496 C GLU A 91 17.124 10.274 -1.362 1.00 0.00 C ATOM 1497 O GLU A 91 17.148 9.042 -1.404 1.00 0.00 O ATOM 1498 CB GLU A 91 19.178 11.574 -1.942 1.00 0.00 C ATOM 1499 CG GLU A 91 20.015 12.269 -3.003 1.00 0.00 C ATOM 1500 CD GLU A 91 20.295 11.379 -4.192 1.00 0.00 C ATOM 1501 OE1 GLU A 91 20.909 10.307 -4.004 1.00 0.00 O ATOM 1502 OE2 GLU A 91 19.892 11.741 -5.317 1.00 0.00 O ATOM 0 H GLU A 91 17.440 13.174 -2.620 1.00 0.00 H new ATOM 0 HA GLU A 91 17.928 10.513 -3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.044 12.251 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.726 10.707 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 91 19.497 13.167 -3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 91 20.959 12.591 -2.564 1.00 0.00 H new ATOM 1509 N GLN A 92 16.511 10.956 -0.407 1.00 0.00 N ATOM 1510 CA GLN A 92 15.815 10.298 0.689 1.00 0.00 C ATOM 1511 C GLN A 92 14.576 9.575 0.178 1.00 0.00 C ATOM 1512 O GLN A 92 14.265 8.475 0.624 1.00 0.00 O ATOM 1513 CB GLN A 92 15.422 11.319 1.765 1.00 0.00 C ATOM 1514 CG GLN A 92 16.570 11.791 2.653 1.00 0.00 C ATOM 1515 CD GLN A 92 17.757 12.336 1.879 1.00 0.00 C ATOM 1516 OE1 GLN A 92 17.796 13.513 1.522 1.00 0.00 O ATOM 1517 NE2 GLN A 92 18.745 11.486 1.633 1.00 0.00 N ATOM 0 H GLN A 92 16.481 11.975 -0.369 1.00 0.00 H new ATOM 0 HA GLN A 92 16.490 9.565 1.131 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.979 12.187 1.277 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.650 10.880 2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.202 12.564 3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.903 10.959 3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.674 10.518 1.946 1.00 0.00 H new ATOM 0 HE22 GLN A 92 19.575 11.801 1.131 1.00 0.00 H new ATOM 1526 N PHE A 93 13.889 10.191 -0.780 1.00 0.00 N ATOM 1527 CA PHE A 93 12.655 9.637 -1.327 1.00 0.00 C ATOM 1528 C PHE A 93 12.934 8.301 -2.009 1.00 0.00 C ATOM 1529 O PHE A 93 12.139 7.364 -1.913 1.00 0.00 O ATOM 1530 CB PHE A 93 12.035 10.625 -2.320 1.00 0.00 C ATOM 1531 CG PHE A 93 10.570 10.398 -2.594 1.00 0.00 C ATOM 1532 CD1 PHE A 93 9.835 9.483 -1.855 1.00 0.00 C ATOM 1533 CD2 PHE A 93 9.929 11.118 -3.587 1.00 0.00 C ATOM 1534 CE1 PHE A 93 8.489 9.291 -2.104 1.00 0.00 C ATOM 1535 CE2 PHE A 93 8.585 10.932 -3.839 1.00 0.00 C ATOM 1536 CZ PHE A 93 7.864 10.018 -3.097 1.00 0.00 C ATOM 0 H PHE A 93 14.169 11.080 -1.195 1.00 0.00 H new ATOM 0 HA PHE A 93 11.950 9.469 -0.513 1.00 0.00 H new ATOM 0 HB2 PHE A 93 12.168 11.637 -1.937 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.581 10.566 -3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 93 10.320 8.914 -1.076 1.00 0.00 H new ATOM 0 HD2 PHE A 93 10.487 11.834 -4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.928 8.574 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.097 11.501 -4.616 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.812 9.872 -3.293 1.00 0.00 H new ATOM 1546 N ALA A 94 14.081 8.216 -2.677 1.00 0.00 N ATOM 1547 CA ALA A 94 14.511 6.980 -3.320 1.00 0.00 C ATOM 1548 C ALA A 94 14.675 5.859 -2.296 1.00 0.00 C ATOM 1549 O ALA A 94 14.488 4.685 -2.608 1.00 0.00 O ATOM 1550 CB ALA A 94 15.817 7.203 -4.077 1.00 0.00 C ATOM 0 H ALA A 94 14.732 8.994 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 94 13.740 6.680 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 94 16.126 6.272 -4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 94 15.670 7.968 -4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 94 16.590 7.529 -3.381 1.00 0.00 H new ATOM 1556 N SER A 95 15.032 6.224 -1.074 1.00 0.00 N ATOM 1557 CA SER A 95 15.172 5.250 -0.006 1.00 0.00 C ATOM 1558 C SER A 95 13.818 4.974 0.652 1.00 0.00 C ATOM 1559 O SER A 95 13.518 3.843 1.029 1.00 0.00 O ATOM 1560 CB SER A 95 16.185 5.746 1.027 1.00 0.00 C ATOM 1561 OG SER A 95 16.478 4.744 1.986 1.00 0.00 O ATOM 0 H SER A 95 15.229 7.186 -0.799 1.00 0.00 H new ATOM 0 HA SER A 95 15.538 4.315 -0.430 1.00 0.00 H new ATOM 0 HB2 SER A 95 17.103 6.049 0.523 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.791 6.629 1.530 1.00 0.00 H new ATOM 0 HG SER A 95 17.129 5.090 2.632 1.00 0.00 H new ATOM 1567 N LEU A 96 12.996 6.014 0.770 1.00 0.00 N ATOM 1568 CA LEU A 96 11.697 5.895 1.423 1.00 0.00 C ATOM 1569 C LEU A 96 10.765 4.984 0.637 1.00 0.00 C ATOM 1570 O LEU A 96 10.010 4.207 1.221 1.00 0.00 O ATOM 1571 CB LEU A 96 11.053 7.274 1.603 1.00 0.00 C ATOM 1572 CG LEU A 96 11.829 8.242 2.499 1.00 0.00 C ATOM 1573 CD1 LEU A 96 11.095 9.569 2.612 1.00 0.00 C ATOM 1574 CD2 LEU A 96 12.055 7.635 3.878 1.00 0.00 C ATOM 0 H LEU A 96 13.208 6.949 0.421 1.00 0.00 H new ATOM 0 HA LEU A 96 11.862 5.451 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.931 7.731 0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.054 7.140 2.019 1.00 0.00 H new ATOM 0 HG LEU A 96 12.802 8.425 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 96 11.661 10.245 3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.989 10.012 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.108 9.403 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 96 12.608 8.339 4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.093 7.419 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.626 6.712 3.780 1.00 0.00 H new ATOM 1586 N VAL A 97 10.825 5.076 -0.689 1.00 0.00 N ATOM 1587 CA VAL A 97 9.999 4.235 -1.545 1.00 0.00 C ATOM 1588 C VAL A 97 10.350 2.760 -1.342 1.00 0.00 C ATOM 1589 O VAL A 97 9.477 1.895 -1.393 1.00 0.00 O ATOM 1590 CB VAL A 97 10.122 4.624 -3.040 1.00 0.00 C ATOM 1591 CG1 VAL A 97 11.531 4.402 -3.565 1.00 0.00 C ATOM 1592 CG2 VAL A 97 9.107 3.862 -3.879 1.00 0.00 C ATOM 0 H VAL A 97 11.435 5.722 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 97 8.961 4.396 -1.255 1.00 0.00 H new ATOM 0 HB VAL A 97 9.908 5.690 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 97 11.577 4.686 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 97 12.232 5.010 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.796 3.350 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.210 4.150 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.282 2.791 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.100 4.099 -3.535 1.00 0.00 H new ATOM 1602 N GLN A 98 11.633 2.486 -1.093 1.00 0.00 N ATOM 1603 CA GLN A 98 12.098 1.124 -0.842 1.00 0.00 C ATOM 1604 C GLN A 98 11.354 0.520 0.339 1.00 0.00 C ATOM 1605 O GLN A 98 10.911 -0.626 0.287 1.00 0.00 O ATOM 1606 CB GLN A 98 13.597 1.104 -0.533 1.00 0.00 C ATOM 1607 CG GLN A 98 14.474 1.700 -1.619 1.00 0.00 C ATOM 1608 CD GLN A 98 15.933 1.759 -1.205 1.00 0.00 C ATOM 1609 OE1 GLN A 98 16.248 1.885 -0.021 1.00 0.00 O ATOM 1610 NE2 GLN A 98 16.834 1.666 -2.169 1.00 0.00 N ATOM 0 H GLN A 98 12.368 3.193 -1.060 1.00 0.00 H new ATOM 0 HA GLN A 98 11.906 0.541 -1.743 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.771 1.648 0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.905 0.073 -0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.379 1.106 -2.528 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.124 2.705 -1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.535 1.562 -3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.828 1.698 -1.943 1.00 0.00 H new ATOM 1619 N GLN A 99 11.205 1.312 1.394 1.00 0.00 N ATOM 1620 CA GLN A 99 10.609 0.837 2.636 1.00 0.00 C ATOM 1621 C GLN A 99 9.139 0.475 2.430 1.00 0.00 C ATOM 1622 O GLN A 99 8.675 -0.561 2.904 1.00 0.00 O ATOM 1623 CB GLN A 99 10.739 1.908 3.727 1.00 0.00 C ATOM 1624 CG GLN A 99 12.123 2.545 3.811 1.00 0.00 C ATOM 1625 CD GLN A 99 13.220 1.581 4.232 1.00 0.00 C ATOM 1626 OE1 GLN A 99 13.153 0.380 3.976 1.00 0.00 O ATOM 1627 NE2 GLN A 99 14.251 2.109 4.872 1.00 0.00 N ATOM 0 H GLN A 99 11.490 2.291 1.413 1.00 0.00 H new ATOM 0 HA GLN A 99 11.143 -0.060 2.951 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.001 2.689 3.544 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.497 1.461 4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.377 2.967 2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.089 3.373 4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.272 3.110 5.067 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.025 1.515 5.170 1.00 0.00 H new ATOM 1636 N HIS A 100 8.424 1.323 1.699 1.00 0.00 N ATOM 1637 CA HIS A 100 7.006 1.103 1.424 1.00 0.00 C ATOM 1638 C HIS A 100 6.838 -0.101 0.501 1.00 0.00 C ATOM 1639 O HIS A 100 5.959 -0.940 0.705 1.00 0.00 O ATOM 1640 CB HIS A 100 6.407 2.359 0.776 1.00 0.00 C ATOM 1641 CG HIS A 100 4.905 2.454 0.822 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.223 3.626 0.614 1.00 0.00 N ATOM 1643 CD2 HIS A 100 3.955 1.508 1.049 1.00 0.00 C ATOM 1644 CE1 HIS A 100 2.918 3.378 0.716 1.00 0.00 C ATOM 1645 NE2 HIS A 100 2.688 2.101 0.980 1.00 0.00 N ATOM 0 H HIS A 100 8.804 2.174 1.284 1.00 0.00 H new ATOM 0 HA HIS A 100 6.482 0.902 2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.825 3.237 1.269 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.725 2.397 -0.266 1.00 0.00 H new ATOM 0 HD1 HIS A 100 4.644 4.534 0.415 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.147 0.465 1.251 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.146 4.124 0.598 1.00 0.00 H new ATOM 1653 N LEU A 101 7.702 -0.182 -0.507 1.00 0.00 N ATOM 1654 CA LEU A 101 7.653 -1.266 -1.485 1.00 0.00 C ATOM 1655 C LEU A 101 7.862 -2.615 -0.807 1.00 0.00 C ATOM 1656 O LEU A 101 7.102 -3.556 -1.032 1.00 0.00 O ATOM 1657 CB LEU A 101 8.717 -1.056 -2.568 1.00 0.00 C ATOM 1658 CG LEU A 101 8.719 -2.091 -3.696 1.00 0.00 C ATOM 1659 CD1 LEU A 101 7.414 -2.034 -4.473 1.00 0.00 C ATOM 1660 CD2 LEU A 101 9.907 -1.864 -4.622 1.00 0.00 C ATOM 0 H LEU A 101 8.449 0.494 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 101 6.667 -1.259 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.576 -0.067 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.699 -1.058 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 101 8.811 -3.084 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.433 -2.776 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.581 -2.244 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.291 -1.041 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.895 -2.608 -5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.845 -0.866 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.833 -1.956 -4.055 1.00 0.00 H new ATOM 1672 N GLN A 102 8.891 -2.698 0.029 1.00 0.00 N ATOM 1673 CA GLN A 102 9.202 -3.924 0.746 1.00 0.00 C ATOM 1674 C GLN A 102 8.106 -4.247 1.755 1.00 0.00 C ATOM 1675 O GLN A 102 7.792 -5.410 1.999 1.00 0.00 O ATOM 1676 CB GLN A 102 10.546 -3.789 1.459 1.00 0.00 C ATOM 1677 CG GLN A 102 11.722 -3.581 0.519 1.00 0.00 C ATOM 1678 CD GLN A 102 13.039 -3.415 1.254 1.00 0.00 C ATOM 1679 OE1 GLN A 102 13.246 -3.982 2.328 1.00 0.00 O ATOM 1680 NE2 GLN A 102 13.931 -2.622 0.685 1.00 0.00 N ATOM 0 H GLN A 102 9.526 -1.924 0.226 1.00 0.00 H new ATOM 0 HA GLN A 102 9.262 -4.740 0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.495 -2.950 2.153 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.723 -4.685 2.054 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.794 -4.431 -0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.540 -2.699 -0.094 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.719 -2.172 -0.205 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.831 -2.460 1.136 1.00 0.00 H new ATOM 1689 N ASP A 103 7.532 -3.208 2.338 1.00 0.00 N ATOM 1690 CA ASP A 103 6.476 -3.366 3.328 1.00 0.00 C ATOM 1691 C ASP A 103 5.220 -3.986 2.718 1.00 0.00 C ATOM 1692 O ASP A 103 4.682 -4.954 3.256 1.00 0.00 O ATOM 1693 CB ASP A 103 6.136 -2.011 3.947 1.00 0.00 C ATOM 1694 CG ASP A 103 4.915 -2.067 4.840 1.00 0.00 C ATOM 1695 OD1 ASP A 103 3.795 -2.221 4.359 1.00 0.00 O ATOM 1696 OD2 ASP A 103 5.016 -1.930 6.057 1.00 0.00 O ATOM 0 H ASP A 103 7.781 -2.238 2.142 1.00 0.00 H new ATOM 0 HA ASP A 103 6.842 -4.042 4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.989 -1.656 4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.967 -1.285 3.152 1.00 0.00 H new ATOM 1701 N GLU A 104 4.759 -3.435 1.596 1.00 0.00 N ATOM 1702 CA GLU A 104 3.531 -3.914 0.963 1.00 0.00 C ATOM 1703 C GLU A 104 3.718 -5.334 0.441 1.00 0.00 C ATOM 1704 O GLU A 104 2.746 -6.065 0.258 1.00 0.00 O ATOM 1705 CB GLU A 104 3.095 -2.986 -0.174 1.00 0.00 C ATOM 1706 CG GLU A 104 2.864 -1.544 0.259 1.00 0.00 C ATOM 1707 CD GLU A 104 1.524 -1.284 0.938 1.00 0.00 C ATOM 1708 OE1 GLU A 104 0.918 -2.215 1.532 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.073 -0.116 0.913 1.00 0.00 O ATOM 0 H GLU A 104 5.213 -2.662 1.109 1.00 0.00 H new ATOM 0 HA GLU A 104 2.746 -3.917 1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.855 -3.003 -0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.177 -3.374 -0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.663 -1.252 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.942 -0.900 -0.617 1.00 0.00 H new ATOM 1716 N GLN A 105 4.972 -5.721 0.208 1.00 0.00 N ATOM 1717 CA GLN A 105 5.282 -7.102 -0.145 1.00 0.00 C ATOM 1718 C GLN A 105 4.871 -8.031 0.990 1.00 0.00 C ATOM 1719 O GLN A 105 4.220 -9.047 0.759 1.00 0.00 O ATOM 1720 CB GLN A 105 6.770 -7.278 -0.460 1.00 0.00 C ATOM 1721 CG GLN A 105 7.199 -6.645 -1.774 1.00 0.00 C ATOM 1722 CD GLN A 105 8.675 -6.833 -2.070 1.00 0.00 C ATOM 1723 OE1 GLN A 105 9.292 -7.816 -1.653 1.00 0.00 O ATOM 1724 NE2 GLN A 105 9.251 -5.892 -2.802 1.00 0.00 N ATOM 0 H GLN A 105 5.782 -5.102 0.257 1.00 0.00 H new ATOM 0 HA GLN A 105 4.719 -7.357 -1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.357 -6.844 0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.002 -8.343 -0.488 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.614 -7.076 -2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.972 -5.579 -1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.706 -5.094 -3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.240 -5.965 -3.040 1.00 0.00 H new ATOM 1733 N ARG A 106 5.229 -7.658 2.220 1.00 0.00 N ATOM 1734 CA ARG A 106 4.818 -8.416 3.399 1.00 0.00 C ATOM 1735 C ARG A 106 3.300 -8.389 3.544 1.00 0.00 C ATOM 1736 O ARG A 106 2.694 -9.356 4.007 1.00 0.00 O ATOM 1737 CB ARG A 106 5.457 -7.860 4.679 1.00 0.00 C ATOM 1738 CG ARG A 106 6.826 -8.435 5.021 1.00 0.00 C ATOM 1739 CD ARG A 106 7.932 -7.876 4.140 1.00 0.00 C ATOM 1740 NE ARG A 106 8.124 -8.645 2.914 1.00 0.00 N ATOM 1741 CZ ARG A 106 9.142 -8.458 2.079 1.00 0.00 C ATOM 1742 NH1 ARG A 106 10.035 -7.503 2.321 1.00 0.00 N ATOM 1743 NH2 ARG A 106 9.256 -9.221 1.006 1.00 0.00 N ATOM 0 H ARG A 106 5.801 -6.838 2.423 1.00 0.00 H new ATOM 0 HA ARG A 106 5.158 -9.442 3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.549 -6.778 4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.782 -8.048 5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.055 -8.221 6.065 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.797 -9.520 4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.697 -6.843 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.865 -7.860 4.703 1.00 0.00 H new ATOM 0 HE ARG A 106 7.439 -9.366 2.685 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.940 -6.913 3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.815 -7.360 1.680 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.565 -9.949 0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.035 -9.082 0.362 1.00 0.00 H new ATOM 1757 N HIS A 107 2.693 -7.272 3.149 1.00 0.00 N ATOM 1758 CA HIS A 107 1.240 -7.138 3.179 1.00 0.00 C ATOM 1759 C HIS A 107 0.593 -8.189 2.281 1.00 0.00 C ATOM 1760 O HIS A 107 -0.310 -8.911 2.696 1.00 0.00 O ATOM 1761 CB HIS A 107 0.809 -5.732 2.742 1.00 0.00 C ATOM 1762 CG HIS A 107 0.979 -4.691 3.806 1.00 0.00 C ATOM 1763 ND1 HIS A 107 0.172 -3.573 3.938 1.00 0.00 N ATOM 1764 CD2 HIS A 107 1.880 -4.625 4.814 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.602 -2.890 5.013 1.00 0.00 C ATOM 1766 NE2 HIS A 107 1.645 -3.477 5.573 1.00 0.00 N ATOM 0 H HIS A 107 3.185 -6.448 2.805 1.00 0.00 H new ATOM 0 HA HIS A 107 0.906 -7.294 4.205 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.388 -5.440 1.865 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.237 -5.761 2.438 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.660 -5.348 5.002 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.152 -1.977 5.373 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.168 -3.158 6.388 1.00 0.00 H new ATOM 1773 N VAL A 108 1.082 -8.283 1.052 1.00 0.00 N ATOM 1774 CA VAL A 108 0.570 -9.252 0.096 1.00 0.00 C ATOM 1775 C VAL A 108 0.914 -10.675 0.532 1.00 0.00 C ATOM 1776 O VAL A 108 0.106 -11.591 0.382 1.00 0.00 O ATOM 1777 CB VAL A 108 1.131 -8.989 -1.319 1.00 0.00 C ATOM 1778 CG1 VAL A 108 0.619 -10.015 -2.317 1.00 0.00 C ATOM 1779 CG2 VAL A 108 0.777 -7.582 -1.777 1.00 0.00 C ATOM 0 H VAL A 108 1.836 -7.697 0.694 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.514 -9.142 0.065 1.00 0.00 H new ATOM 0 HB VAL A 108 2.216 -9.082 -1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.032 -9.802 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.926 -11.013 -2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.469 -9.967 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.179 -7.412 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.307 -7.468 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.204 -6.856 -1.085 1.00 0.00 H new ATOM 1789 N GLU A 109 2.110 -10.847 1.087 1.00 0.00 N ATOM 1790 CA GLU A 109 2.527 -12.131 1.647 1.00 0.00 C ATOM 1791 C GLU A 109 1.557 -12.596 2.728 1.00 0.00 C ATOM 1792 O GLU A 109 1.337 -13.790 2.907 1.00 0.00 O ATOM 1793 CB GLU A 109 3.933 -12.038 2.239 1.00 0.00 C ATOM 1794 CG GLU A 109 5.041 -11.940 1.204 1.00 0.00 C ATOM 1795 CD GLU A 109 6.403 -11.749 1.837 1.00 0.00 C ATOM 1796 OE1 GLU A 109 6.791 -12.584 2.682 1.00 0.00 O ATOM 1797 OE2 GLU A 109 7.083 -10.757 1.508 1.00 0.00 O ATOM 0 H GLU A 109 2.811 -10.110 1.162 1.00 0.00 H new ATOM 0 HA GLU A 109 2.529 -12.856 0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.983 -11.166 2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.111 -12.914 2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.049 -12.845 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.835 -11.107 0.532 1.00 0.00 H new ATOM 1804 N GLU A 110 1.006 -11.644 3.465 1.00 0.00 N ATOM 1805 CA GLU A 110 0.086 -11.953 4.546 1.00 0.00 C ATOM 1806 C GLU A 110 -1.245 -12.486 4.001 1.00 0.00 C ATOM 1807 O GLU A 110 -1.768 -13.490 4.489 1.00 0.00 O ATOM 1808 CB GLU A 110 -0.152 -10.704 5.402 1.00 0.00 C ATOM 1809 CG GLU A 110 -0.719 -11.003 6.778 1.00 0.00 C ATOM 1810 CD GLU A 110 0.266 -11.746 7.656 1.00 0.00 C ATOM 1811 OE1 GLU A 110 0.368 -12.985 7.536 1.00 0.00 O ATOM 1812 OE2 GLU A 110 0.953 -11.093 8.470 1.00 0.00 O ATOM 0 H GLU A 110 1.181 -10.648 3.333 1.00 0.00 H new ATOM 0 HA GLU A 110 0.532 -12.731 5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 110 0.790 -10.168 5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.835 -10.038 4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -1.002 -10.069 7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.628 -11.596 6.673 1.00 0.00 H new ATOM 1819 N ILE A 111 -1.773 -11.828 2.975 1.00 0.00 N ATOM 1820 CA ILE A 111 -3.096 -12.164 2.448 1.00 0.00 C ATOM 1821 C ILE A 111 -3.022 -13.156 1.290 1.00 0.00 C ATOM 1822 O ILE A 111 -3.485 -14.293 1.391 1.00 0.00 O ATOM 1823 CB ILE A 111 -3.844 -10.921 1.920 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -3.325 -9.637 2.574 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -5.341 -11.075 2.152 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -4.011 -8.382 2.073 1.00 0.00 C ATOM 0 H ILE A 111 -1.308 -11.060 2.491 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.629 -12.603 3.291 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.658 -10.842 0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.460 -9.709 3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.254 -9.553 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.860 -10.193 1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.701 -11.960 1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.535 -11.183 3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.593 -7.512 2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.855 -8.286 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.079 -8.444 2.280 1.00 0.00 H new ATOM 1838 N GLU A 112 -2.430 -12.698 0.196 1.00 0.00 N ATOM 1839 CA GLU A 112 -2.502 -13.378 -1.089 1.00 0.00 C ATOM 1840 C GLU A 112 -1.800 -14.740 -1.050 1.00 0.00 C ATOM 1841 O GLU A 112 -2.447 -15.775 -1.210 1.00 0.00 O ATOM 1842 CB GLU A 112 -1.893 -12.452 -2.141 1.00 0.00 C ATOM 1843 CG GLU A 112 -2.580 -12.498 -3.491 1.00 0.00 C ATOM 1844 CD GLU A 112 -2.168 -13.695 -4.304 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -0.988 -14.078 -4.217 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -3.017 -14.250 -5.031 1.00 0.00 O ATOM 0 H GLU A 112 -1.882 -11.838 0.175 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.541 -13.590 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.923 -11.429 -1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -0.843 -12.713 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.660 -12.515 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -2.348 -11.589 -4.045 1.00 0.00 H new ATOM 1853 N LYS A 113 -0.481 -14.728 -0.855 1.00 0.00 N ATOM 1854 CA LYS A 113 0.303 -15.952 -0.634 1.00 0.00 C ATOM 1855 C LYS A 113 0.459 -16.821 -1.891 1.00 0.00 C ATOM 1856 O LYS A 113 1.035 -17.913 -1.822 1.00 0.00 O ATOM 1857 CB LYS A 113 -0.311 -16.788 0.496 1.00 0.00 C ATOM 1858 CG LYS A 113 0.022 -16.282 1.890 1.00 0.00 C ATOM 1859 CD LYS A 113 -0.728 -17.059 2.962 1.00 0.00 C ATOM 1860 CE LYS A 113 -0.083 -16.891 4.331 1.00 0.00 C ATOM 1861 NZ LYS A 113 0.108 -15.464 4.698 1.00 0.00 N ATOM 0 H LYS A 113 0.076 -13.874 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 113 1.302 -15.618 -0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.394 -16.804 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 113 0.035 -17.817 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 113 1.095 -16.367 2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -0.230 -15.224 1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -1.763 -16.718 3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -0.751 -18.116 2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.704 -17.377 5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 113 0.882 -17.397 4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 0.471 -15.401 5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 0.789 -15.026 4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -0.802 -14.965 4.635 1.00 0.00 H new ATOM 1875 N LYS A 114 -0.031 -16.354 -3.030 1.00 0.00 N ATOM 1876 CA LYS A 114 0.092 -17.101 -4.278 1.00 0.00 C ATOM 1877 C LYS A 114 1.163 -16.472 -5.162 1.00 0.00 C ATOM 1878 O LYS A 114 2.081 -17.148 -5.628 1.00 0.00 O ATOM 1879 CB LYS A 114 -1.254 -17.141 -5.015 1.00 0.00 C ATOM 1880 CG LYS A 114 -2.338 -17.909 -4.271 1.00 0.00 C ATOM 1881 CD LYS A 114 -2.107 -19.412 -4.335 1.00 0.00 C ATOM 1882 CE LYS A 114 -2.277 -19.935 -5.753 1.00 0.00 C ATOM 1883 NZ LYS A 114 -1.975 -21.385 -5.855 1.00 0.00 N ATOM 0 H LYS A 114 -0.518 -15.462 -3.118 1.00 0.00 H new ATOM 0 HA LYS A 114 0.387 -18.124 -4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.596 -16.120 -5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.108 -17.595 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.362 -17.588 -3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.312 -17.672 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.104 -19.644 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.808 -19.919 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.299 -19.754 -6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.621 -19.381 -6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.104 -21.698 -6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.992 -21.556 -5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.618 -21.918 -5.235 1.00 0.00 H new ATOM 1897 N ASN A 115 1.029 -15.175 -5.373 1.00 0.00 N ATOM 1898 CA ASN A 115 1.979 -14.394 -6.150 1.00 0.00 C ATOM 1899 C ASN A 115 3.360 -14.436 -5.510 1.00 0.00 C ATOM 1900 O ASN A 115 3.492 -14.011 -4.342 1.00 0.00 O ATOM 1901 CB ASN A 115 1.495 -12.944 -6.259 1.00 0.00 C ATOM 1902 CG ASN A 115 2.459 -12.049 -7.018 1.00 0.00 C ATOM 1903 OD1 ASN A 115 2.584 -10.860 -6.716 1.00 0.00 O ATOM 1904 ND2 ASN A 115 3.129 -12.594 -8.021 1.00 0.00 N ATOM 1905 OXT ASN A 115 4.311 -14.893 -6.175 1.00 0.00 O ATOM 0 H ASN A 115 0.250 -14.627 -5.007 1.00 0.00 H new ATOM 0 HA ASN A 115 2.049 -14.825 -7.149 1.00 0.00 H new ATOM 0 HB2 ASN A 115 0.525 -12.928 -6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 115 1.346 -12.541 -5.257 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.773 -12.027 -8.572 1.00 0.00 H new ATOM 0 HD22 ASN A 115 3.001 -13.581 -8.243 1.00 0.00 H new TER 1912 ASN A 115 HETATM 1913 ZN ZN A 500 3.336 -1.870 5.933 1.00 0.00 ZN HETATM 1914 ZN ZN A 501 0.437 1.254 1.501 1.00 0.00 ZN HETATM 1915 ZN ZN A 502 -0.588 -2.499 2.055 1.00 0.00 ZN